data_7HNU
# 
_entry.id   7HNU 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_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   7HNU         pdb_00007hnu 10.2210/pdb7hnu/pdb 
WWPDB D_1001407708 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2024-11-27 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.entry_id                        7HNU 
_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   2024-11-04 
_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           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_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 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
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 'E3 ubiquitin-protein ligase TRIM21'                                               21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                                                                     62.068    1   ?        ? ? ? 
3 non-polymer syn 'methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate' 239.225   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                                                      96.063    1   ?        ? ? ? 
5 water       nat water                                                                              18.015    144 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                                                                     EDO 
3 'methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate' GQJ 
4 'SULFATE ION'                                                                      SO4 
5 water                                                                              HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_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      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_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      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_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                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                                                            ?                 
'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                                                                           ?                 
'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                                                                         ?                 
'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                                                    ?                 
'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                                                                           ?                 
'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                                                                     'ETHYLENE GLYCOL' 
'C2 H6 O2'       62.068  
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  
GQJ non-polymer         . 'methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate' ?                 
'C11 H13 N O5'   239.225 
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 
SO4 non-polymer         . 'SULFATE ION'                                                                      ?                 
'O4 S -2'        96.063  
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   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        GQJ 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   GQJ 
_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 
B 2 EDO 1   201 202 EDO EDO B . 
C 3 GQJ 1   202 302 GQJ LIG B . 
D 4 SO4 1   203 1   SO4 SO4 B . 
E 5 HOH 1   301 29  HOH HOH B . 
E 5 HOH 2   302 11  HOH HOH B . 
E 5 HOH 3   303 12  HOH HOH B . 
E 5 HOH 4   304 2   HOH HOH B . 
E 5 HOH 5   305 99  HOH HOH B . 
E 5 HOH 6   306 1   HOH HOH B . 
E 5 HOH 7   307 33  HOH HOH B . 
E 5 HOH 8   308 21  HOH HOH B . 
E 5 HOH 9   309 26  HOH HOH B . 
E 5 HOH 10  310 27  HOH HOH B . 
E 5 HOH 11  311 34  HOH HOH B . 
E 5 HOH 12  312 16  HOH HOH B . 
E 5 HOH 13  313 129 HOH HOH B . 
E 5 HOH 14  314 5   HOH HOH B . 
E 5 HOH 15  315 63  HOH HOH B . 
E 5 HOH 16  316 115 HOH HOH B . 
E 5 HOH 17  317 90  HOH HOH B . 
E 5 HOH 18  318 89  HOH HOH B . 
E 5 HOH 19  319 102 HOH HOH B . 
E 5 HOH 20  320 25  HOH HOH B . 
E 5 HOH 21  321 70  HOH HOH B . 
E 5 HOH 22  322 11  HOH HOH B . 
E 5 HOH 23  323 51  HOH HOH B . 
E 5 HOH 24  324 95  HOH HOH B . 
E 5 HOH 25  325 10  HOH HOH B . 
E 5 HOH 26  326 31  HOH HOH B . 
E 5 HOH 27  327 62  HOH HOH B . 
E 5 HOH 28  328 184 HOH HOH B . 
E 5 HOH 29  329 39  HOH HOH B . 
E 5 HOH 30  330 72  HOH HOH B . 
E 5 HOH 31  331 100 HOH HOH B . 
E 5 HOH 32  332 80  HOH HOH B . 
E 5 HOH 33  333 55  HOH HOH B . 
E 5 HOH 34  334 2   HOH HOH B . 
E 5 HOH 35  335 68  HOH HOH B . 
E 5 HOH 36  336 27  HOH HOH B . 
E 5 HOH 37  337 7   HOH HOH B . 
E 5 HOH 38  338 86  HOH HOH B . 
E 5 HOH 39  339 16  HOH HOH B . 
E 5 HOH 40  340 20  HOH HOH B . 
E 5 HOH 41  341 28  HOH HOH B . 
E 5 HOH 42  342 18  HOH HOH B . 
E 5 HOH 43  343 26  HOH HOH B . 
E 5 HOH 44  344 10  HOH HOH B . 
E 5 HOH 45  345 36  HOH HOH B . 
E 5 HOH 46  346 22  HOH HOH B . 
E 5 HOH 47  347 58  HOH HOH B . 
E 5 HOH 48  348 126 HOH HOH B . 
E 5 HOH 49  349 50  HOH HOH B . 
E 5 HOH 50  350 15  HOH HOH B . 
E 5 HOH 51  351 29  HOH HOH B . 
E 5 HOH 52  352 6   HOH HOH B . 
E 5 HOH 53  353 157 HOH HOH B . 
E 5 HOH 54  354 214 HOH HOH B . 
E 5 HOH 55  355 66  HOH HOH B . 
E 5 HOH 56  356 211 HOH HOH B . 
E 5 HOH 57  357 81  HOH HOH B . 
E 5 HOH 58  358 85  HOH HOH B . 
E 5 HOH 59  359 4   HOH HOH B . 
E 5 HOH 60  360 3   HOH HOH B . 
E 5 HOH 61  361 93  HOH HOH B . 
E 5 HOH 62  362 61  HOH HOH B . 
E 5 HOH 63  363 1   HOH HOH B . 
E 5 HOH 64  364 19  HOH HOH B . 
E 5 HOH 65  365 25  HOH HOH B . 
E 5 HOH 66  366 17  HOH HOH B . 
E 5 HOH 67  367 59  HOH HOH B . 
E 5 HOH 68  368 73  HOH HOH B . 
E 5 HOH 69  369 47  HOH HOH B . 
E 5 HOH 70  370 76  HOH HOH B . 
E 5 HOH 71  371 43  HOH HOH B . 
E 5 HOH 72  372 8   HOH HOH B . 
E 5 HOH 73  373 116 HOH HOH B . 
E 5 HOH 74  374 71  HOH HOH B . 
E 5 HOH 75  375 82  HOH HOH B . 
E 5 HOH 76  376 267 HOH HOH B . 
E 5 HOH 77  377 137 HOH HOH B . 
E 5 HOH 78  378 304 HOH HOH B . 
E 5 HOH 79  379 264 HOH HOH B . 
E 5 HOH 80  380 9   HOH HOH B . 
E 5 HOH 81  381 3   HOH HOH B . 
E 5 HOH 82  382 13  HOH HOH B . 
E 5 HOH 83  383 172 HOH HOH B . 
E 5 HOH 84  384 32  HOH HOH B . 
E 5 HOH 85  385 33  HOH HOH B . 
E 5 HOH 86  386 32  HOH HOH B . 
E 5 HOH 87  387 60  HOH HOH B . 
E 5 HOH 88  388 24  HOH HOH B . 
E 5 HOH 89  389 14  HOH HOH B . 
E 5 HOH 90  390 303 HOH HOH B . 
E 5 HOH 91  391 64  HOH HOH B . 
E 5 HOH 92  392 46  HOH HOH B . 
E 5 HOH 93  393 281 HOH HOH B . 
E 5 HOH 94  394 97  HOH HOH B . 
E 5 HOH 95  395 48  HOH HOH B . 
E 5 HOH 96  396 125 HOH HOH B . 
E 5 HOH 97  397 56  HOH HOH B . 
E 5 HOH 98  398 8   HOH HOH B . 
E 5 HOH 99  399 23  HOH HOH B . 
E 5 HOH 100 400 30  HOH HOH B . 
E 5 HOH 101 401 20  HOH HOH B . 
E 5 HOH 102 402 12  HOH HOH B . 
E 5 HOH 103 403 49  HOH HOH B . 
E 5 HOH 104 404 57  HOH HOH B . 
E 5 HOH 105 405 18  HOH HOH B . 
E 5 HOH 106 406 54  HOH HOH B . 
E 5 HOH 107 407 257 HOH HOH B . 
E 5 HOH 108 408 7   HOH HOH B . 
E 5 HOH 109 409 38  HOH HOH B . 
E 5 HOH 110 410 42  HOH HOH B . 
E 5 HOH 111 411 140 HOH HOH B . 
E 5 HOH 112 412 44  HOH HOH B . 
E 5 HOH 113 413 15  HOH HOH B . 
E 5 HOH 114 414 22  HOH HOH B . 
E 5 HOH 115 415 45  HOH HOH B . 
E 5 HOH 116 416 69  HOH HOH B . 
E 5 HOH 117 417 120 HOH HOH B . 
E 5 HOH 118 418 5   HOH HOH B . 
E 5 HOH 119 419 41  HOH HOH B . 
E 5 HOH 120 420 103 HOH HOH B . 
E 5 HOH 121 421 53  HOH HOH B . 
E 5 HOH 122 422 263 HOH HOH B . 
E 5 HOH 123 423 112 HOH HOH B . 
E 5 HOH 124 424 133 HOH HOH B . 
E 5 HOH 125 425 197 HOH HOH B . 
E 5 HOH 126 426 19  HOH HOH B . 
E 5 HOH 127 427 4   HOH HOH B . 
E 5 HOH 128 428 30  HOH HOH B . 
E 5 HOH 129 429 154 HOH HOH B . 
E 5 HOH 130 430 114 HOH HOH B . 
E 5 HOH 131 431 107 HOH HOH B . 
E 5 HOH 132 432 266 HOH HOH B . 
E 5 HOH 133 433 23  HOH HOH B . 
E 5 HOH 134 434 21  HOH HOH B . 
E 5 HOH 135 435 13  HOH HOH B . 
E 5 HOH 136 436 98  HOH HOH B . 
E 5 HOH 137 437 104 HOH HOH B . 
E 5 HOH 138 438 205 HOH HOH B . 
E 5 HOH 139 439 166 HOH HOH B . 
E 5 HOH 140 440 127 HOH HOH B . 
E 5 HOH 141 441 14  HOH HOH B . 
E 5 HOH 142 442 270 HOH HOH B . 
E 5 HOH 143 443 131 HOH HOH B . 
E 5 HOH 144 444 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HNU 
_cell.length_a           95.574 
_cell.length_b           95.574 
_cell.length_c           45.790 
_cell.angle_alpha        90.000 
_cell.angle_beta         90.000 
_cell.angle_gamma        90.000 
_cell.Z_PDB              8 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.entry_id                         7HNU 
_symmetry.space_group_name_H-M             'I 4' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                79 
# 
_exptl.crystals_number   1 
_exptl.entry_id          7HNU 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.42 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.19 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 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   2024-07-04 
_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   0.92134 
_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        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HNU 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.580 
_reflns.d_resolution_high            1.150 
_reflns.number_obs                   61775 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         84.200 
_reflns.pdbx_Rmerge_I_obs            0.043 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        23.500 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              9.500 
_reflns.pdbx_Rrim_I_all              0.045 
_reflns.pdbx_Rpim_I_all              0.013 
_reflns.pdbx_CC_half                 1.000 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     586228 
_reflns.pdbx_scaling_rejects         0 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.150 1.170  ? 468  455 ? 0.320 ? ? ? 1.000  ? 0.300   ? ? ? ? ? ? 12.200 0.453 0.320 0.845 
1 2 6.200 67.580 ? 6558 513 ? 0.025 ? ? ? 12.800 ? 132.000 ? ? ? ? ? ? 99.900 0.026 0.008 0.999 
# 
_refine.entry_id                                 7HNU 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.1500 
_refine.ls_d_res_low                             67.5800 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    84.1100 
_refine.ls_number_reflns_obs                     58702 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.ls_matrix_type                           ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.details                                  
'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES      : REFINED INDIVIDUALLY' 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1852 
_refine.ls_R_factor_R_work                       0.1844 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2016 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2973 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               15.9610 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0300 
_refine.aniso_B[2][2]                            0.0300 
_refine.aniso_B[3][3]                            -0.0600 
_refine.aniso_B[1][2]                            0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9690 
_refine.correlation_coeff_Fo_to_Fc_free          0.9630 
_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.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0440 
_refine.pdbx_overall_ESU_R_Free                  0.0450 
_refine.overall_SU_ML                            0.0370 
_refine.overall_SU_B                             0.8890 
_refine.solvent_model_details                    MASK 
_refine.pdbx_solvent_vdw_probe_radii             1.2000 
_refine.pdbx_solvent_ion_probe_radii             0.8000 
_refine.pdbx_solvent_shrinkage_radii             0.8000 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          'FOURIER SYNTHESIS' 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.B_iso_max                                62.980 
_refine.B_iso_min                                8.600 
_refine.pdbx_overall_phase_error                 ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_R_free_error_details         ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.1500 
_refine_hist.d_res_low                        67.5800 
_refine_hist.pdbx_number_atoms_ligand         26 
_refine_hist.number_atoms_solvent             144 
_refine_hist.number_atoms_total               1663 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           31.02 
_refine_hist.pdbx_B_iso_mean_solvent          26.24 
_refine_hist.pdbx_number_atoms_protein        1493 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.type 
_refine_ls_restr.number 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' r_bond_refined_d       2005 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1609 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2518 1.884  1.640  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3716 1.437  1.580  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.146  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 109  27.720 21.009 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  11.258 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   21.486 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         221  0.088  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2236 0.012  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     492  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            948  1.335  1.413  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.308  1.400  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.062  2.112  ? ? 
# 
_refine_ls_shell.d_res_high                       1.1500 
_refine_ls_shell.d_res_low                        1.1800 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               13.4800 
_refine_ls_shell.number_reflns_R_work             685 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3660 
_refine_ls_shell.R_factor_R_free                  0.3720 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             37 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                722 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNU 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1614545742' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNU 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HNU 
_struct_ref_seq.pdbx_strand_id                B 
_struct_ref_seq.seq_align_beg                 9 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 188 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q62191 
_struct_ref_seq.db_align_beg                  291 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  470 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       15 
_struct_ref_seq.pdbx_auth_seq_align_end       194 
# 
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 7HNU MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNU HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNU HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNU HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNU HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNU HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNU HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNU MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_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 
# 
_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 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -1.37 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 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 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 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 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HNU 
_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   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                126.90 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            15.10 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    B 
_pdbx_validate_torsion.auth_seq_id     152 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -102.14 
_pdbx_validate_torsion.psi             52.00 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     430 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
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 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
GQJ C10  C N N 147 
GQJ C13  C Y N 148 
GQJ C01  C N N 149 
GQJ C03  C N N 150 
GQJ C04  C N S 151 
GQJ C05  C N N 152 
GQJ C06  C N R 153 
GQJ C08  C N N 154 
GQJ C11  C Y N 155 
GQJ C12  C Y N 156 
GQJ C14  C Y N 157 
GQJ N09  N N N 158 
GQJ O02  O N N 159 
GQJ O07  O N N 160 
GQJ O15  O Y N 161 
GQJ O16  O N N 162 
GQJ O17  O N N 163 
GQJ H1   H N N 164 
GQJ H2   H N N 165 
GQJ H3   H N N 166 
GQJ H4   H N N 167 
GQJ H5   H N N 168 
GQJ H6   H N N 169 
GQJ H7   H N N 170 
GQJ H8   H N N 171 
GQJ H9   H N N 172 
GQJ H10  H N N 173 
GQJ H11  H N N 174 
GQJ H12  H N N 175 
GQJ H13  H N N 176 
HIS N    N N N 177 
HIS CA   C N S 178 
HIS C    C N N 179 
HIS O    O N N 180 
HIS CB   C N N 181 
HIS CG   C Y N 182 
HIS ND1  N Y N 183 
HIS CD2  C Y N 184 
HIS CE1  C Y N 185 
HIS NE2  N Y N 186 
HIS OXT  O N N 187 
HIS H    H N N 188 
HIS H2   H N N 189 
HIS HA   H N N 190 
HIS HB2  H N N 191 
HIS HB3  H N N 192 
HIS HD1  H N N 193 
HIS HD2  H N N 194 
HIS HE1  H N N 195 
HIS HE2  H N N 196 
HIS HXT  H N N 197 
HOH O    O N N 198 
HOH H1   H N N 199 
HOH H2   H N N 200 
ILE N    N N N 201 
ILE CA   C N S 202 
ILE C    C N N 203 
ILE O    O N N 204 
ILE CB   C N S 205 
ILE CG1  C N N 206 
ILE CG2  C N N 207 
ILE CD1  C N N 208 
ILE OXT  O N N 209 
ILE H    H N N 210 
ILE H2   H N N 211 
ILE HA   H N N 212 
ILE HB   H N N 213 
ILE HG12 H N N 214 
ILE HG13 H N N 215 
ILE HG21 H N N 216 
ILE HG22 H N N 217 
ILE HG23 H N N 218 
ILE HD11 H N N 219 
ILE HD12 H N N 220 
ILE HD13 H N N 221 
ILE HXT  H N N 222 
LEU N    N N N 223 
LEU CA   C N S 224 
LEU C    C N N 225 
LEU O    O N N 226 
LEU CB   C N N 227 
LEU CG   C N N 228 
LEU CD1  C N N 229 
LEU CD2  C N N 230 
LEU OXT  O N N 231 
LEU H    H N N 232 
LEU H2   H N N 233 
LEU HA   H N N 234 
LEU HB2  H N N 235 
LEU HB3  H N N 236 
LEU HG   H N N 237 
LEU HD11 H N N 238 
LEU HD12 H N N 239 
LEU HD13 H N N 240 
LEU HD21 H N N 241 
LEU HD22 H N N 242 
LEU HD23 H N N 243 
LEU HXT  H N N 244 
LYS N    N N N 245 
LYS CA   C N S 246 
LYS C    C N N 247 
LYS O    O N N 248 
LYS CB   C N N 249 
LYS CG   C N N 250 
LYS CD   C N N 251 
LYS CE   C N N 252 
LYS NZ   N N N 253 
LYS OXT  O N N 254 
LYS H    H N N 255 
LYS H2   H N N 256 
LYS HA   H N N 257 
LYS HB2  H N N 258 
LYS HB3  H N N 259 
LYS HG2  H N N 260 
LYS HG3  H N N 261 
LYS HD2  H N N 262 
LYS HD3  H N N 263 
LYS HE2  H N N 264 
LYS HE3  H N N 265 
LYS HZ1  H N N 266 
LYS HZ2  H N N 267 
LYS HZ3  H N N 268 
LYS HXT  H N N 269 
MET N    N N N 270 
MET CA   C N S 271 
MET C    C N N 272 
MET O    O N N 273 
MET CB   C N N 274 
MET CG   C N N 275 
MET SD   S N N 276 
MET CE   C N N 277 
MET OXT  O N N 278 
MET H    H N N 279 
MET H2   H N N 280 
MET HA   H N N 281 
MET HB2  H N N 282 
MET HB3  H N N 283 
MET HG2  H N N 284 
MET HG3  H N N 285 
MET HE1  H N N 286 
MET HE2  H N N 287 
MET HE3  H N N 288 
MET HXT  H N N 289 
PHE N    N N N 290 
PHE CA   C N S 291 
PHE C    C N N 292 
PHE O    O N N 293 
PHE CB   C N N 294 
PHE CG   C Y N 295 
PHE CD1  C Y N 296 
PHE CD2  C Y N 297 
PHE CE1  C Y N 298 
PHE CE2  C Y N 299 
PHE CZ   C Y N 300 
PHE OXT  O N N 301 
PHE H    H N N 302 
PHE H2   H N N 303 
PHE HA   H N N 304 
PHE HB2  H N N 305 
PHE HB3  H N N 306 
PHE HD1  H N N 307 
PHE HD2  H N N 308 
PHE HE1  H N N 309 
PHE HE2  H N N 310 
PHE HZ   H N N 311 
PHE HXT  H N N 312 
PRO N    N N N 313 
PRO CA   C N S 314 
PRO C    C N N 315 
PRO O    O N N 316 
PRO CB   C N N 317 
PRO CG   C N N 318 
PRO CD   C N N 319 
PRO OXT  O N N 320 
PRO H    H N N 321 
PRO HA   H N N 322 
PRO HB2  H N N 323 
PRO HB3  H N N 324 
PRO HG2  H N N 325 
PRO HG3  H N N 326 
PRO HD2  H N N 327 
PRO HD3  H N N 328 
PRO HXT  H N N 329 
SER N    N N N 330 
SER CA   C N S 331 
SER C    C N N 332 
SER O    O N N 333 
SER CB   C N N 334 
SER OG   O N N 335 
SER OXT  O N N 336 
SER H    H N N 337 
SER H2   H N N 338 
SER HA   H N N 339 
SER HB2  H N N 340 
SER HB3  H N N 341 
SER HG   H N N 342 
SER HXT  H N N 343 
SO4 S    S N N 344 
SO4 O1   O N N 345 
SO4 O2   O N N 346 
SO4 O3   O N N 347 
SO4 O4   O N N 348 
THR N    N N N 349 
THR CA   C N S 350 
THR C    C N N 351 
THR O    O N N 352 
THR CB   C N R 353 
THR OG1  O N N 354 
THR CG2  C N N 355 
THR OXT  O N N 356 
THR H    H N N 357 
THR H2   H N N 358 
THR HA   H N N 359 
THR HB   H N N 360 
THR HG1  H N N 361 
THR HG21 H N N 362 
THR HG22 H N N 363 
THR HG23 H N N 364 
THR HXT  H N N 365 
TRP N    N N N 366 
TRP CA   C N S 367 
TRP C    C N N 368 
TRP O    O N N 369 
TRP CB   C N N 370 
TRP CG   C Y N 371 
TRP CD1  C Y N 372 
TRP CD2  C Y N 373 
TRP NE1  N Y N 374 
TRP CE2  C Y N 375 
TRP CE3  C Y N 376 
TRP CZ2  C Y N 377 
TRP CZ3  C Y N 378 
TRP CH2  C Y N 379 
TRP OXT  O N N 380 
TRP H    H N N 381 
TRP H2   H N N 382 
TRP HA   H N N 383 
TRP HB2  H N N 384 
TRP HB3  H N N 385 
TRP HD1  H N N 386 
TRP HE1  H N N 387 
TRP HE3  H N N 388 
TRP HZ2  H N N 389 
TRP HZ3  H N N 390 
TRP HH2  H N N 391 
TRP HXT  H N N 392 
TYR N    N N N 393 
TYR CA   C N S 394 
TYR C    C N N 395 
TYR O    O N N 396 
TYR CB   C N N 397 
TYR CG   C Y N 398 
TYR CD1  C Y N 399 
TYR CD2  C Y N 400 
TYR CE1  C Y N 401 
TYR CE2  C Y N 402 
TYR CZ   C Y N 403 
TYR OH   O N N 404 
TYR OXT  O N N 405 
TYR H    H N N 406 
TYR H2   H N N 407 
TYR HA   H N N 408 
TYR HB2  H N N 409 
TYR HB3  H N N 410 
TYR HD1  H N N 411 
TYR HD2  H N N 412 
TYR HE1  H N N 413 
TYR HE2  H N N 414 
TYR HH   H N N 415 
TYR HXT  H N N 416 
VAL N    N N N 417 
VAL CA   C N S 418 
VAL C    C N N 419 
VAL O    O N N 420 
VAL CB   C N N 421 
VAL CG1  C N N 422 
VAL CG2  C N N 423 
VAL OXT  O N N 424 
VAL H    H N N 425 
VAL H2   H N N 426 
VAL HA   H N N 427 
VAL HB   H N N 428 
VAL HG11 H N N 429 
VAL HG12 H N N 430 
VAL HG13 H N N 431 
VAL HG21 H N N 432 
VAL HG22 H N N 433 
VAL HG23 H N N 434 
VAL HXT  H N N 435 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
GQJ C13 C12  sing Y N 138 
GQJ C13 C14  doub Y N 139 
GQJ C12 C11  doub Y N 140 
GQJ C14 O15  sing Y N 141 
GQJ O16 C10  doub N N 142 
GQJ C11 C10  sing N N 143 
GQJ C11 O15  sing Y N 144 
GQJ C10 N09  sing N N 145 
GQJ C01 O02  sing N N 146 
GQJ O02 C03  sing N N 147 
GQJ O17 C03  doub N N 148 
GQJ C03 C04  sing N N 149 
GQJ N09 C04  sing N N 150 
GQJ N09 C08  sing N N 151 
GQJ C04 C05  sing N N 152 
GQJ C08 C06  sing N N 153 
GQJ C05 C06  sing N N 154 
GQJ O07 C06  sing N N 155 
GQJ C13 H1   sing N N 156 
GQJ C01 H2   sing N N 157 
GQJ C01 H3   sing N N 158 
GQJ C01 H4   sing N N 159 
GQJ C04 H5   sing N N 160 
GQJ C05 H6   sing N N 161 
GQJ C05 H7   sing N N 162 
GQJ C06 H8   sing N N 163 
GQJ C08 H9   sing N N 164 
GQJ C08 H10  sing N N 165 
GQJ C12 H11  sing N N 166 
GQJ C14 H12  sing N N 167 
GQJ O07 H13  sing N N 168 
HIS N   CA   sing N N 169 
HIS N   H    sing N N 170 
HIS N   H2   sing N N 171 
HIS CA  C    sing N N 172 
HIS CA  CB   sing N N 173 
HIS CA  HA   sing N N 174 
HIS C   O    doub N N 175 
HIS C   OXT  sing N N 176 
HIS CB  CG   sing N N 177 
HIS CB  HB2  sing N N 178 
HIS CB  HB3  sing N N 179 
HIS CG  ND1  sing Y N 180 
HIS CG  CD2  doub Y N 181 
HIS ND1 CE1  doub Y N 182 
HIS ND1 HD1  sing N N 183 
HIS CD2 NE2  sing Y N 184 
HIS CD2 HD2  sing N N 185 
HIS CE1 NE2  sing Y N 186 
HIS CE1 HE1  sing N N 187 
HIS NE2 HE2  sing N N 188 
HIS OXT HXT  sing N N 189 
HOH O   H1   sing N N 190 
HOH O   H2   sing N N 191 
ILE N   CA   sing N N 192 
ILE N   H    sing N N 193 
ILE N   H2   sing N N 194 
ILE CA  C    sing N N 195 
ILE CA  CB   sing N N 196 
ILE CA  HA   sing N N 197 
ILE C   O    doub N N 198 
ILE C   OXT  sing N N 199 
ILE CB  CG1  sing N N 200 
ILE CB  CG2  sing N N 201 
ILE CB  HB   sing N N 202 
ILE CG1 CD1  sing N N 203 
ILE CG1 HG12 sing N N 204 
ILE CG1 HG13 sing N N 205 
ILE CG2 HG21 sing N N 206 
ILE CG2 HG22 sing N N 207 
ILE CG2 HG23 sing N N 208 
ILE CD1 HD11 sing N N 209 
ILE CD1 HD12 sing N N 210 
ILE CD1 HD13 sing N N 211 
ILE OXT HXT  sing N N 212 
LEU N   CA   sing N N 213 
LEU N   H    sing N N 214 
LEU N   H2   sing N N 215 
LEU CA  C    sing N N 216 
LEU CA  CB   sing N N 217 
LEU CA  HA   sing N N 218 
LEU C   O    doub N N 219 
LEU C   OXT  sing N N 220 
LEU CB  CG   sing N N 221 
LEU CB  HB2  sing N N 222 
LEU CB  HB3  sing N N 223 
LEU CG  CD1  sing N N 224 
LEU CG  CD2  sing N N 225 
LEU CG  HG   sing N N 226 
LEU CD1 HD11 sing N N 227 
LEU CD1 HD12 sing N N 228 
LEU CD1 HD13 sing N N 229 
LEU CD2 HD21 sing N N 230 
LEU CD2 HD22 sing N N 231 
LEU CD2 HD23 sing N N 232 
LEU OXT HXT  sing N N 233 
LYS N   CA   sing N N 234 
LYS N   H    sing N N 235 
LYS N   H2   sing N N 236 
LYS CA  C    sing N N 237 
LYS CA  CB   sing N N 238 
LYS CA  HA   sing N N 239 
LYS C   O    doub N N 240 
LYS C   OXT  sing N N 241 
LYS CB  CG   sing N N 242 
LYS CB  HB2  sing N N 243 
LYS CB  HB3  sing N N 244 
LYS CG  CD   sing N N 245 
LYS CG  HG2  sing N N 246 
LYS CG  HG3  sing N N 247 
LYS CD  CE   sing N N 248 
LYS CD  HD2  sing N N 249 
LYS CD  HD3  sing N N 250 
LYS CE  NZ   sing N N 251 
LYS CE  HE2  sing N N 252 
LYS CE  HE3  sing N N 253 
LYS NZ  HZ1  sing N N 254 
LYS NZ  HZ2  sing N N 255 
LYS NZ  HZ3  sing N N 256 
LYS OXT HXT  sing N N 257 
MET N   CA   sing N N 258 
MET N   H    sing N N 259 
MET N   H2   sing N N 260 
MET CA  C    sing N N 261 
MET CA  CB   sing N N 262 
MET CA  HA   sing N N 263 
MET C   O    doub N N 264 
MET C   OXT  sing N N 265 
MET CB  CG   sing N N 266 
MET CB  HB2  sing N N 267 
MET CB  HB3  sing N N 268 
MET CG  SD   sing N N 269 
MET CG  HG2  sing N N 270 
MET CG  HG3  sing N N 271 
MET SD  CE   sing N N 272 
MET CE  HE1  sing N N 273 
MET CE  HE2  sing N N 274 
MET CE  HE3  sing N N 275 
MET OXT HXT  sing N N 276 
PHE N   CA   sing N N 277 
PHE N   H    sing N N 278 
PHE N   H2   sing N N 279 
PHE CA  C    sing N N 280 
PHE CA  CB   sing N N 281 
PHE CA  HA   sing N N 282 
PHE C   O    doub N N 283 
PHE C   OXT  sing N N 284 
PHE CB  CG   sing N N 285 
PHE CB  HB2  sing N N 286 
PHE CB  HB3  sing N N 287 
PHE CG  CD1  doub Y N 288 
PHE CG  CD2  sing Y N 289 
PHE CD1 CE1  sing Y N 290 
PHE CD1 HD1  sing N N 291 
PHE CD2 CE2  doub Y N 292 
PHE CD2 HD2  sing N N 293 
PHE CE1 CZ   doub Y N 294 
PHE CE1 HE1  sing N N 295 
PHE CE2 CZ   sing Y N 296 
PHE CE2 HE2  sing N N 297 
PHE CZ  HZ   sing N N 298 
PHE OXT HXT  sing N N 299 
PRO N   CA   sing N N 300 
PRO N   CD   sing N N 301 
PRO N   H    sing N N 302 
PRO CA  C    sing N N 303 
PRO CA  CB   sing N N 304 
PRO CA  HA   sing N N 305 
PRO C   O    doub N N 306 
PRO C   OXT  sing N N 307 
PRO CB  CG   sing N N 308 
PRO CB  HB2  sing N N 309 
PRO CB  HB3  sing N N 310 
PRO CG  CD   sing N N 311 
PRO CG  HG2  sing N N 312 
PRO CG  HG3  sing N N 313 
PRO CD  HD2  sing N N 314 
PRO CD  HD3  sing N N 315 
PRO OXT HXT  sing N N 316 
SER N   CA   sing N N 317 
SER N   H    sing N N 318 
SER N   H2   sing N N 319 
SER CA  C    sing N N 320 
SER CA  CB   sing N N 321 
SER CA  HA   sing N N 322 
SER C   O    doub N N 323 
SER C   OXT  sing N N 324 
SER CB  OG   sing N N 325 
SER CB  HB2  sing N N 326 
SER CB  HB3  sing N N 327 
SER OG  HG   sing N N 328 
SER OXT HXT  sing N N 329 
SO4 S   O1   doub N N 330 
SO4 S   O2   doub N N 331 
SO4 S   O3   sing N N 332 
SO4 S   O4   sing N N 333 
THR N   CA   sing N N 334 
THR N   H    sing N N 335 
THR N   H2   sing N N 336 
THR CA  C    sing N N 337 
THR CA  CB   sing N N 338 
THR CA  HA   sing N N 339 
THR C   O    doub N N 340 
THR C   OXT  sing N N 341 
THR CB  OG1  sing N N 342 
THR CB  CG2  sing N N 343 
THR CB  HB   sing N N 344 
THR OG1 HG1  sing N N 345 
THR CG2 HG21 sing N N 346 
THR CG2 HG22 sing N N 347 
THR CG2 HG23 sing N N 348 
THR OXT HXT  sing N N 349 
TRP N   CA   sing N N 350 
TRP N   H    sing N N 351 
TRP N   H2   sing N N 352 
TRP CA  C    sing N N 353 
TRP CA  CB   sing N N 354 
TRP CA  HA   sing N N 355 
TRP C   O    doub N N 356 
TRP C   OXT  sing N N 357 
TRP CB  CG   sing N N 358 
TRP CB  HB2  sing N N 359 
TRP CB  HB3  sing N N 360 
TRP CG  CD1  doub Y N 361 
TRP CG  CD2  sing Y N 362 
TRP CD1 NE1  sing Y N 363 
TRP CD1 HD1  sing N N 364 
TRP CD2 CE2  doub Y N 365 
TRP CD2 CE3  sing Y N 366 
TRP NE1 CE2  sing Y N 367 
TRP NE1 HE1  sing N N 368 
TRP CE2 CZ2  sing Y N 369 
TRP CE3 CZ3  doub Y N 370 
TRP CE3 HE3  sing N N 371 
TRP CZ2 CH2  doub Y N 372 
TRP CZ2 HZ2  sing N N 373 
TRP CZ3 CH2  sing Y N 374 
TRP CZ3 HZ3  sing N N 375 
TRP CH2 HH2  sing N N 376 
TRP OXT HXT  sing N N 377 
TYR N   CA   sing N N 378 
TYR N   H    sing N N 379 
TYR N   H2   sing N N 380 
TYR CA  C    sing N N 381 
TYR CA  CB   sing N N 382 
TYR CA  HA   sing N N 383 
TYR C   O    doub N N 384 
TYR C   OXT  sing N N 385 
TYR CB  CG   sing N N 386 
TYR CB  HB2  sing N N 387 
TYR CB  HB3  sing N N 388 
TYR CG  CD1  doub Y N 389 
TYR CG  CD2  sing Y N 390 
TYR CD1 CE1  sing Y N 391 
TYR CD1 HD1  sing N N 392 
TYR CD2 CE2  doub Y N 393 
TYR CD2 HD2  sing N N 394 
TYR CE1 CZ   doub Y N 395 
TYR CE1 HE1  sing N N 396 
TYR CE2 CZ   sing Y N 397 
TYR CE2 HE2  sing N N 398 
TYR CZ  OH   sing N N 399 
TYR OH  HH   sing N N 400 
TYR OXT HXT  sing N N 401 
VAL N   CA   sing N N 402 
VAL N   H    sing N N 403 
VAL N   H2   sing N N 404 
VAL CA  C    sing N N 405 
VAL CA  CB   sing N N 406 
VAL CA  HA   sing N N 407 
VAL C   O    doub N N 408 
VAL C   OXT  sing N N 409 
VAL CB  CG1  sing N N 410 
VAL CB  CG2  sing N N 411 
VAL CB  HB   sing N N 412 
VAL CG1 HG11 sing N N 413 
VAL CG1 HG12 sing N N 414 
VAL CG1 HG13 sing N N 415 
VAL CG2 HG21 sing N N 416 
VAL CG2 HG22 sing N N 417 
VAL CG2 HG23 sing N N 418 
VAL OXT HXT  sing N N 419 
# 
_pdbx_audit_support.ordinal                1 
_pdbx_audit_support.funding_organization   'European Union (EU)' 
_pdbx_audit_support.grant_number           875510 
_pdbx_audit_support.country                'European Union' 
# 
_pdbx_deposit_group.group_id            G_1002320 
_pdbx_deposit_group.group_description   
;PRYSPRY domain of murine TRIM21 screened against the DSI-poised Fragment Library by X-ray Crystallography at the XChem facility of Diamon Light Source
;
_pdbx_deposit_group.group_title         'PanDDA analysis group deposition' 
_pdbx_deposit_group.group_type          'changed state' 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2VOK 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    7HNU 
_atom_sites.fract_transf_matrix[1][1]   0.010463 
_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]   0.010463 
_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]   0.021839 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
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   . HIS A 1 2   ? -13.401 -12.657 -9.891  1.00 52.74 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.874 -13.380 -11.105 1.00 48.05 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.737 -12.570 -11.739 1.00 45.63 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.602 -11.364 -11.413 1.00 48.17 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -14.008 -13.655 -12.114 1.00 41.55 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.561 -12.432 -12.769 1.00 37.56 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.972 -11.861 -13.890 1.00 38.38 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.650 -11.682 -12.496 1.00 35.13 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.663 -10.795 -14.256 1.00 37.31 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.695 -10.648 -13.406 1.00 32.09 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.995 -13.189 -12.657 1.00 41.29 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.855  -12.575 -13.389 1.00 40.95 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.055 -12.695 -14.911 1.00 35.65 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.044  -12.869 -15.623 1.00 37.64 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.548  -13.189 -12.849 1.00 48.95 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.380  -12.933 -11.383 1.00 56.80 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.183  -11.657 -10.869 1.00 58.87 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.428  -13.762 -10.317 1.00 62.19 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -8.101  -11.716 -9.556  1.00 60.46 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.241  -12.999 -9.192  1.00 62.98 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.303 -12.532 -15.402 1.00 30.01 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.702 -12.719 -16.831 1.00 25.09 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.680 -11.380 -17.579 1.00 26.79 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.826 -11.381 -18.818 1.00 24.52 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.106 -13.360 -16.952 1.00 25.46 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.233 -14.722 -16.353 1.00 25.67 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.326 -15.749 -16.608 1.00 24.94 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.169 -15.251 -15.528 1.00 25.30 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.702 -16.838 -15.958 1.00 29.61 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.824 -16.555 -15.301 1.00 29.20 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.447 -10.266 -16.880 1.00 28.59 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.573 -8.892  -17.436 1.00 28.68 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.695 -8.685  -18.675 1.00 27.13 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.163 -7.995  -19.597 1.00 28.36 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.283 -7.824  -16.362 1.00 35.06 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.163 -7.945  -15.167 1.00 40.12 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.842 -8.765  -14.087 1.00 46.14 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.360 -7.379  -14.876 1.00 42.14 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.799 -8.689  -13.174 1.00 46.31 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.750 -7.849  -13.638 1.00 44.81 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.500  -9.298  -18.747 1.00 25.63 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.552  -9.143  -19.880 1.00 26.62 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.074  -9.764  -21.180 1.00 25.17 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.471  -9.497  -22.219 1.00 27.98 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.174  -9.723  -19.522 1.00 31.22 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.175  -11.157 -19.129 1.00 29.83 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.561  -12.139 -19.902 1.00 36.61 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.645  -11.783 -18.030 1.00 31.54 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.679  -13.304 -19.307 1.00 30.34 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.342  -13.120 -18.157 1.00 37.18 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.136 -10.591 -21.154 1.00 21.18 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.796 -11.135 -22.375 1.00 19.23 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.898 -10.193 -22.855 1.00 17.27 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.714 -10.645 -23.651 1.00 15.86 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.354 -12.518 -22.107 1.00 18.49 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.300 -13.500 -21.692 1.00 19.07 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.251  -13.823 -22.541 1.00 20.14 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.149 -14.199 -20.551 1.00 20.58 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.484  -14.690 -21.915 1.00 19.49 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.990  -14.941 -20.695 1.00 21.56 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.963 -8.980  -22.327 1.00 17.67 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -13.010 -7.997  -22.682 1.00 19.36 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.095 -7.848  -24.201 1.00 18.74 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.040 -7.705  -24.911 1.00 21.97 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.706 -6.638  -22.051 1.00 23.53 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.731 -5.551  -22.349 1.00 29.47 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.315 -5.739  -21.449 1.00 39.90 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.820 -5.159  -19.832 1.00 34.31 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.310 -7.844  -24.727 1.00 16.72 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.620 -7.610  -26.161 1.00 17.40 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.599 -6.425  -26.232 1.00 18.04 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.465 -6.279  -25.345 1.00 17.65 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.153 -8.861  -26.890 1.00 18.76 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.073 -9.915  -27.030 1.00 21.94 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.349 -9.487  -26.219 1.00 19.92 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.521 -5.654  -27.313 1.00 18.59 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.386 -4.480  -27.540 1.00 18.35 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.608 -4.965  -28.313 1.00 18.36 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.498 -5.334  -29.484 1.00 21.99 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.632 -3.391  -28.301 1.00 18.95 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.407 -2.127  -28.476 1.00 23.24 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.508 -1.188  -27.490 1.00 26.72 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.123 -1.672  -29.529 1.00 26.68 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.240 -0.174  -27.928 1.00 25.06 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.635 -0.455  -29.181 1.00 30.54 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.737 -5.094  -27.626 1.00 15.05 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.985 -5.596  -28.242 1.00 15.37 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.804 -4.406  -28.768 1.00 15.21 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.857 -3.393  -28.117 1.00 15.40 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.797 -6.419  -27.223 1.00 14.48 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.994 -7.628  -26.726 1.00 15.61 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.130 -6.834  -27.834 1.00 14.46 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.419 -8.533  -27.812 1.00 15.90 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.396 -4.588  -29.930 1.00 14.19 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.374 -3.600  -30.468 1.00 15.06 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.635 -4.350  -30.861 1.00 16.11 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.594 -5.569  -31.126 1.00 16.71 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.798 -2.815  -31.649 1.00 17.63 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.457 -3.697  -32.697 1.00 20.00 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.628 -1.924  -31.269 1.00 19.31 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.774 -3.647  -30.818 1.00 14.02 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.072 -4.293  -31.125 1.00 13.66 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.350 -4.289  -32.629 1.00 13.94 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.031 -3.271  -33.304 1.00 15.80 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.148 -3.549  -30.358 1.00 14.26 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.958 -3.630  -28.854 1.00 13.94 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.902 -2.693  -28.103 1.00 15.91 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.068 -5.079  -28.366 1.00 15.39 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.955 -5.326  -33.130 1.00 12.70 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.328 -5.501  -34.553 1.00 13.24 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.822 -5.110  -34.728 1.00 14.68 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.702 -5.903  -34.435 1.00 13.73 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.041 -6.926  -35.047 1.00 13.81 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.332 -7.193  -36.509 1.00 17.72 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.988 -6.317  -37.120 1.00 17.65 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.052 -8.326  -37.010 1.00 17.99 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.035 -3.879  -35.226 0.25 15.27 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.070 -3.887  -35.213 0.25 15.43 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.350 -3.229  -35.525 0.25 17.03 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.433 -3.302  -35.389 0.25 17.07 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.291 -4.112  -36.349 0.25 16.28 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.314 -4.134  -36.339 0.25 16.48 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.598 -3.891  -36.285 0.25 15.74 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.630 -3.942  -36.310 0.25 15.70 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.175 -2.008  -36.437 0.25 18.21 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.360 -1.904  -36.016 0.25 19.21 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.218 -0.957  -35.907 0.25 20.50 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.875 -0.811  -35.082 0.25 21.70 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.303 0.363   -36.655 0.25 20.90 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.460 -0.343  -35.379 0.25 25.17 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.726 1.393   -35.810 0.25 21.24 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.355 0.676   -36.427 0.25 27.19 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.380 1.972   -34.820 0.25 20.72 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.852 0.482   -37.646 0.25 30.35 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.638 1.642   -34.606 0.25 22.69 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.409 -0.705  -38.020 0.25 32.28 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.787 2.878   -34.066 0.25 21.80 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.803 1.484   -38.504 0.25 32.57 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.698 -4.946  -37.224 1.00 15.40 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.487 -5.773  -38.151 1.00 16.94 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.166 -6.941  -37.445 1.00 14.40 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.172 -7.447  -37.924 1.00 15.09 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.635 -6.251  -39.327 1.00 19.33 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.423 -5.148  -40.344 1.00 25.70 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.158 -4.157  -40.368 1.00 33.35 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.382 -5.291  -41.142 1.00 38.29 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.641 -7.351  -36.259 1.00 12.98 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.178 -8.475  -35.478 1.00 12.96 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.218 -8.010  -34.452 1.00 11.76 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.913 -8.845  -33.865 1.00 12.24 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.080 -9.254  -34.728 1.00 13.04 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.512 -8.453  -33.687 1.00 13.58 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.056 -9.835  -35.703 1.00 13.83 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.319 -6.715  -34.246 1.00 11.94 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.137 -6.157  -33.130 1.00 12.02 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.625 -6.374  -33.394 1.00 12.50 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.111 -6.083  -34.515 1.00 13.53 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.848 -4.703  -32.952 1.00 12.45 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.385 -6.668  -32.374 1.00 12.32 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.844 -6.474  -32.413 1.00 11.41 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.120 -5.038  -32.880 1.00 11.06 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.410 -4.086  -32.523 1.00 11.41 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.378 -6.798  -31.030 1.00 12.65 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.848 -6.524  -30.946 1.00 13.55 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.292 -5.413  -30.695 1.00 13.92 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.608 -7.543  -31.195 1.00 18.30 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.204 -4.881  -33.629 1.00 11.48 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.561 -3.597  -34.257 1.00 12.10 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.947 -2.524  -33.253 1.00 12.03 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.050 -1.365  -33.713 1.00 13.25 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.691 -3.823  -35.238 1.00 13.22 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.818 -4.295  -34.536 1.00 15.58 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.130 -2.780  -31.965 1.00 10.53 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.439 -1.757  -30.943 1.00 11.64 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.178 -1.236  -30.253 1.00 12.29 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.291 -0.323  -29.440 1.00 12.64 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.447 -2.297  -29.955 1.00 12.46 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.844 -2.403  -30.500 1.00 13.12 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.240 -2.901  -31.707 1.00 12.52 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -44.019 -1.947  -29.838 1.00 15.25 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.617 -2.793  -31.820 1.00 15.15 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.104 -2.279  -30.671 1.00 14.80 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.255 -1.372  -28.586 1.00 17.10 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.429 -1.976  -30.297 1.00 17.71 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.563 -1.108  -28.207 1.00 19.84 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.626 -1.458  -29.035 1.00 19.98 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -38.003 -1.853  -30.538 1.00 11.83 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.775 -1.449  -29.819 1.00 12.31 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.184 -0.186  -30.447 1.00 12.20 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.186 -0.009  -31.669 1.00 12.90 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.763 -2.598  -29.828 1.00 10.98 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.209 -3.859  -29.098 1.00 11.97 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.098 -4.900  -29.099 1.00 12.14 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.657 -3.594  -27.703 1.00 13.32 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.533 0.563   -29.589 1.00 11.93 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.748 1.767   -29.963 1.00 13.20 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.309 1.545   -29.517 1.00 13.52 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.046 1.434   -28.289 1.00 13.51 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.313 3.014   -29.330 1.00 13.68 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.787 3.266   -29.730 1.00 14.71 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.429 4.236   -29.683 1.00 15.68 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.449 4.330   -28.964 1.00 16.53 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.447 1.462   -30.502 1.00 15.88 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.987 1.266   -30.290 1.00 15.80 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.289 2.596   -30.457 1.00 17.97 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.562 3.342   -31.456 1.00 18.11 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.465 0.207   -31.234 1.00 17.11 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.051 -1.148  -30.873 1.00 20.45 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.932 0.132   -31.217 1.00 17.79 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.803 -2.152  -31.817 1.00 21.28 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.399 2.942   -29.563 1.00 16.84 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.706 4.240   -29.592 1.00 17.02 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.796 4.324   -30.836 1.00 15.03 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.403 3.328   -31.401 1.00 15.60 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.977 4.431   -28.319 1.00 17.88 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -27.025 3.371   -28.156 1.00 17.11 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.414 5.570   -31.176 1.00 19.52 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.500 5.832   -32.317 1.00 18.88 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.214 5.005   -32.206 1.00 17.44 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.766 4.510   -33.235 1.00 19.70 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.141 7.322   -32.348 1.00 21.49 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.218 7.686   -33.484 1.00 23.06 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.375 9.127   -33.859 1.00 24.50 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.212 9.993   -32.647 1.00 29.46 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.362 11.390  -33.063 1.00 30.78 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.646 4.936   -31.006 1.00 18.00 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.371 4.183   -30.788 1.00 16.97 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.603 2.659   -30.769 1.00 15.84 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.603 1.908   -30.677 1.00 16.45 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.616 4.664   -29.552 1.00 18.41 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.282 4.403   -28.218 1.00 17.50 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.395 3.772   -28.212 1.00 18.55 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.690 4.826   -27.215 1.00 21.29 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.831 2.171   -30.884 1.00 14.84 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.191 0.732   -30.891 1.00 15.20 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.755 0.078   -29.571 1.00 12.56 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.592 -1.175  -29.568 1.00 13.74 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.662 0.046   -32.146 1.00 18.47 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.288 0.646   -33.400 1.00 23.53 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.919 0.028   -34.706 1.00 29.43 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.496 -0.117  -34.877 1.00 36.44 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.791 -1.258  -34.770 1.00 47.66 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.362 -2.443  -34.514 1.00 43.82 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.480 -1.199  -34.959 1.00 53.24 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.719 0.805   -28.500 1.00 12.07 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.334 0.281   -27.169 1.00 13.47 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.478 0.269   -26.165 1.00 14.03 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.302 -0.302  -25.080 1.00 14.69 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.160 1.069   -26.580 1.00 13.78 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.910 1.006   -27.443 1.00 15.86 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.081 -0.230  -27.223 1.00 17.13 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.323 -0.071  -25.985 1.00 18.72 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.571 -1.012  -25.398 1.00 17.71 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.500 -2.198  -25.935 1.00 18.33 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.939 -0.739  -24.268 1.00 19.81 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.626 0.869   -26.458 1.00 12.81 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.795 0.878   -25.567 1.00 13.31 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.054 0.490   -26.332 1.00 12.55 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.167 0.745   -27.549 1.00 13.24 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -28.018 2.277   -24.989 1.00 15.73 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.765 2.893   -24.412 1.00 18.69 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.118 4.125   -23.610 1.00 22.98 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.286 4.371   -23.258 1.00 25.17 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.112 4.932   -23.354 1.00 26.60 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -30.009 -0.109  -25.632 1.00 12.21 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.298 -0.508  -26.240 1.00 12.38 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.376 -0.346  -25.183 1.00 12.58 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.189 -0.705  -24.032 1.00 11.73 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.222 -1.907  -26.841 1.00 11.82 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.820 -2.984  -25.816 1.00 11.74 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.550 -2.278  -27.479 1.00 12.32 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.521 0.175   -25.596 1.00 12.32 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.706 0.248   -24.727 1.00 12.88 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.972 -0.053  -25.548 1.00 12.09 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.970 0.024   -26.773 1.00 11.63 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.823 1.619   -24.066 1.00 14.22 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.115 2.745   -25.040 1.00 16.34 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.035 4.066   -24.271 1.00 18.97 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.312 5.183   -25.148 1.00 24.06 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.511 5.663   -25.434 1.00 20.61 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.618 5.159   -24.926 1.00 23.34 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.573 6.708   -26.270 1.00 26.24 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -37.024 -0.361  -24.793 0.25 11.87 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -37.045 -0.484  -24.880 0.25 13.22 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.392 -0.601  -25.311 0.25 12.57 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.322 -0.752  -25.602 0.25 14.36 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -39.014 0.752   -25.682 0.25 12.20 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.109 0.553   -25.682 0.25 13.33 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -39.009 1.674   -24.863 0.25 12.99 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.421 1.132   -24.602 0.25 12.63 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.207 -1.332  -24.238 0.25 12.67 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.214 -1.828  -24.969 0.25 16.80 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.576 -1.848  -24.703 0.25 13.62 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.521 -2.103  -25.803 0.25 18.14 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.471 -2.895  -26.224 0.25 16.10 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.353 -3.598  -25.191 0.25 21.80 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.055 -3.726  -26.253 0.25 15.02 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.744 -3.615  -26.319 0.25 21.85 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.424 0.914   -26.929 1.00 12.71 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.245 2.090   -27.279 1.00 14.85 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.704 1.867   -26.930 1.00 16.03 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.111 0.782   -26.489 1.00 16.76 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.479 2.968   -26.962 1.00 19.64 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.924 2.899   -26.560 1.00 21.78 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.768 2.538   -27.810 1.00 21.52 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -46.006 2.392   -27.664 1.00 22.12 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.383 4.170   -25.811 1.00 27.13 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.935 4.299   -24.342 1.00 36.35 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.682 3.251   -23.681 1.00 39.40 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.876 5.449   -23.829 1.00 38.39 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.158 2.249   -28.952 1.00 17.04 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.842 1.963   -30.255 1.00 16.71 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.900 1.271   -31.255 1.00 13.87 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.603 1.255   -31.074 1.00 13.41 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.392 3.308   -30.710 1.00 17.78 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.293 3.052   -31.761 1.00 18.53 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.296 4.245   -31.159 1.00 19.38 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.397 0.820   -32.406 1.00 13.96 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.569 0.343   -33.538 1.00 13.87 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.618 1.444   -33.999 1.00 14.70 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.068 2.603   -34.164 1.00 14.37 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.509 -0.143  -34.642 1.00 13.13 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.896 -0.796  -35.822 1.00 12.59 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.078 -0.162  -36.761 1.00 13.01 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -44.012 -2.084  -36.257 1.00 13.02 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.760 -1.007  -37.716 1.00 13.67 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.325 -2.244  -37.430 1.00 13.73 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.344 1.125   -34.225 1.00 13.23 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.306 2.131   -34.495 1.00 12.62 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.139 2.401   -35.997 1.00 13.60 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.117 3.022   -36.383 1.00 15.00 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -39.000 1.733   -33.788 1.00 12.38 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.129 1.792   -32.298 1.00 13.04 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.618 3.111   -31.769 1.00 13.67 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.549 3.242   -30.969 1.00 17.14 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.971 4.175   -32.198 1.00 12.88 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.099 2.011   -36.822 1.00 13.37 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.174 2.467   -38.245 1.00 12.75 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.060 1.868   -39.080 1.00 14.07 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.641 2.449   -40.075 1.00 15.63 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.239 4.006   -38.365 1.00 13.66 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.868 4.421   -39.693 1.00 13.47 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.756 3.738   -40.217 1.00 12.90 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.431 5.558   -40.243 1.00 13.31 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.689 0.627   -38.777 1.00 15.64 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.732 -0.212  -39.553 1.00 16.63 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.490 -1.246  -40.410 1.00 15.96 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.559 -1.677  -40.020 1.00 15.84 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.729 -0.918  -38.610 1.00 16.93 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.796 0.093   -37.963 1.00 20.54 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.389 -1.792  -37.560 1.00 17.92 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.923 -1.668  -41.541 1.00 18.04 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.472 -2.796  -42.315 1.00 19.05 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.272 -4.116  -41.574 1.00 16.50 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.311 -4.240  -40.780 1.00 16.84 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.844 -2.851  -43.707 1.00 21.25 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.431 -2.968  -43.615 1.00 22.96 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.092 -5.102  -41.849 1.00 17.36 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.931 -6.453  -41.279 1.00 17.06 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.843 -7.184  -42.062 1.00 18.44 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.555 -6.836  -43.238 1.00 19.07 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.250 -7.200  -41.257 1.00 18.67 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.154 -8.463  -40.434 1.00 22.58 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.466 -8.455  -39.337 1.00 18.66 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -41.623 -9.484  -40.981 1.00 27.38 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.219 -8.182  -41.431 1.00 17.16 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.204 -9.057  -42.074 1.00 17.88 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.164 -10.362 -41.280 1.00 17.94 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.755 -10.462 -40.160 1.00 18.42 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.853 -8.391  -42.233 1.00 17.66 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.131 -8.188  -40.915 1.00 17.04 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -34.965 -9.161  -40.174 1.00 19.46 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.726 -7.012  -40.591 1.00 16.87 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.557 -11.385 -41.845 1.00 18.97 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.592 -12.745 -41.263 1.00 20.02 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.685 -12.809 -40.011 1.00 17.26 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.890 -13.759 -39.244 1.00 19.29 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.102 -13.778 -42.287 1.00 24.00 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.642 -13.605 -42.636 1.00 26.77 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.179 -14.316 -43.889 1.00 36.94 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.669 -14.369 -43.935 1.00 41.47 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.212 -15.507 -44.765 1.00 49.21 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.770 -11.869 -39.823 1.00 16.79 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.870 -11.846 -38.618 1.00 16.61 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.599 -11.330 -37.358 1.00 16.26 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.155 -11.651 -36.213 1.00 16.51 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.642 -10.996 -38.875 1.00 19.53 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.776 -11.432 -40.060 1.00 23.38 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.617 -10.456 -40.221 1.00 28.80 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.620 -9.666  -41.201 1.00 35.96 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.727 -10.424 -39.360 1.00 33.11 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.627 -10.490 -37.476 1.00 14.70 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.170 -9.793  -36.282 1.00 14.18 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.887 -10.741 -35.354 1.00 13.72 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.735 -11.562 -35.742 1.00 14.68 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.176 -8.712  -36.683 1.00 12.86 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.590 -7.567  -37.476 1.00 14.17 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.522 -6.319  -37.439 1.00 13.51 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.008 -5.288  -38.316 1.00 15.37 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.895 -4.594  -38.117 1.00 14.56 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.305 -4.610  -36.927 1.00 13.44 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.432 -3.751  -39.047 1.00 16.71 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.612 -10.658 -34.061 1.00 12.48 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.415 -11.371 -33.055 1.00 12.24 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.840 -10.781 -33.054 1.00 13.74 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -39.012 -9.576  -32.791 1.00 14.49 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.821 -11.275 -31.656 1.00 11.82 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.584 -12.126 -31.498 1.00 11.35 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.700 -13.494 -31.255 1.00 11.59 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.310 -11.579 -31.573 1.00 11.77 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.580 -14.306 -31.137 1.00 12.41 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.186 -12.396 -31.393 1.00 11.92 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.339 -13.760 -31.188 1.00 10.89 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.863 -11.572 -33.318 1.00 14.01 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.244 -11.042 -33.535 1.00 14.99 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.003 -10.939 -32.229 1.00 15.20 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.812 -9.968  -32.098 1.00 17.35 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.982 -11.903 -34.551 1.00 16.50 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.128 -13.239 -34.117 1.00 15.59 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.863 -11.844 -31.291 1.00 13.91 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.811 -11.994 -30.166 1.00 15.15 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.326 -11.340 -28.882 1.00 14.46 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.113 -11.183 -27.953 1.00 16.13 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.123 -13.453 -29.863 1.00 16.67 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.025 -14.115 -30.908 1.00 18.62 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.845 -13.946 -32.111 1.00 21.39 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -45.034 -14.811 -30.416 1.00 24.91 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.028 -11.024 -28.783 1.00 12.91 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.417 -10.541 -27.520 1.00 12.11 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.447 -9.399  -27.822 1.00 10.93 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.931 -9.291  -28.934 1.00 11.82 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.622 -11.681 -26.865 1.00 12.38 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.337 -13.011 -26.795 1.00 13.77 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.316 -13.218 -25.831 1.00 15.98 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -40.038 -14.088 -27.625 1.00 14.45 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.996 -14.430 -25.731 1.00 17.03 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.735 -15.281 -27.568 1.00 15.17 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.691 -15.465 -26.592 1.00 16.35 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.321 -16.674 -26.503 1.00 17.97 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.145 -8.536  -26.825 1.00 10.86 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.283 -7.384  -27.023 1.00 11.16 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.766 -7.696  -27.017 1.00 10.01 ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -36.001 -7.172  -26.237 1.00 10.79 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.684 -6.418  -25.864 1.00 12.54 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.917 -7.017  -25.266 1.00 13.53 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.780 -8.479  -25.515 1.00 11.63 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.384 -8.569  -27.963 1.00 10.57 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.049 -9.191  -28.045 1.00 9.62  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.250 -8.594  -29.187 1.00 10.46 ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.759 -8.094  -30.228 1.00 10.69 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.190 -10.694 -28.235 1.00 10.24 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.723 -11.381 -27.032 1.00 10.55 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.218 -13.095 -27.449 1.00 11.89 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.819 -13.718 -25.886 1.00 12.58 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.916 -8.651  -29.037 1.00 9.94  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.932 -8.176  -30.043 1.00 10.17 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.631 -8.965  -29.839 1.00 10.97 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.346 -9.366  -28.677 1.00 10.99 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.738 -6.649  -29.983 1.00 10.88 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.205 -6.204  -28.637 1.00 11.29 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.864 -6.125  -31.140 1.00 11.08 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.872 -9.139  -30.894 1.00 10.75 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.549 -9.799  -30.816 1.00 10.42 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.424 -8.800  -30.923 1.00 11.50 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.532 -7.727  -31.622 1.00 12.46 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.380 -10.834 -31.927 1.00 11.48 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.443 -11.906 -31.956 1.00 11.60 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.162 -12.991 -32.997 1.00 13.80 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.637 -12.559 -30.590 1.00 11.54 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.271 -9.119  -30.352 1.00 11.17 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.996 -8.462  -30.728 1.00 11.53 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.600 -8.759  -32.181 1.00 11.57 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.920 -9.820  -32.671 1.00 12.29 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.816 -7.886  -32.789 1.00 13.11 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.328 -8.058  -34.176 1.00 14.41 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.213 -9.100  -34.206 1.00 15.11 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.043 -9.794  -35.233 1.00 18.47 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.858 -6.727  -34.665 1.00 16.29 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.498 -9.214  -33.102 1.00 14.46 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.282 -10.071 -33.080 1.00 14.46 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.691 -11.544 -33.069 1.00 15.89 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.709 -11.941 -32.453 1.00 16.34 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.416 -9.721  -31.869 1.00 16.68 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.735 -8.361  -31.942 1.00 17.95 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.680 -7.184  -31.806 1.00 18.44 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.646 -7.266  -31.059 1.00 17.24 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.413 -6.080  -32.478 1.00 20.88 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.954 -12.386 -33.790 1.00 15.93 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.095 -13.851 -33.800 1.00 15.74 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.822 -14.490 -33.256 1.00 14.54 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.714 -14.034 -33.598 1.00 17.20 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.258 -14.395 -35.231 1.00 19.79 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.632 -14.204 -35.878 1.00 28.03 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.134 -12.791 -35.732 1.00 30.46 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.002 -12.062 -36.667 1.00 33.47 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.703 -12.540 -37.689 1.00 32.66 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.425 -11.697 -38.414 1.00 36.64 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.675 -13.812 -38.021 1.00 32.13 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.975 -15.436 -32.368 1.00 13.12 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.815 -16.110 -31.721 1.00 13.34 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.879 -17.607 -31.984 1.00 12.75 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.888 -18.251 -31.750 1.00 12.81 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.857 -15.872 -30.192 1.00 15.51 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.886 -14.402 -29.793 1.00 16.91 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.876 -13.568 -30.246 1.00 19.32 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.897 -13.848 -29.044 1.00 24.88 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.850 -12.216 -29.952 1.00 22.83 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.850 -12.488 -28.714 1.00 20.21 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.868 -11.690 -29.218 1.00 21.24 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.764 -18.185 -32.454 0.25 13.18 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.766 -18.184 -32.457 0.25 13.22 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.660 -19.632 -32.782 0.25 13.86 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.633 -19.635 -32.759 0.25 13.91 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.448 -20.278 -32.091 0.25 13.47 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.353 -20.201 -32.144 0.25 13.79 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.307 -21.520 -32.198 0.25 13.40 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.915 -21.276 -32.574 0.25 13.10 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.679 -19.845 -34.289 0.25 14.11 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.621 -19.874 -34.234 0.25 14.03 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.021 -19.713 -34.786 0.25 15.15 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.547 -19.167 -34.800 0.25 14.83 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.670 -19.492 -31.333 0.25 12.94 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.752 -19.488 -31.199 0.25 13.92 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.472 -19.955 -30.586 0.25 14.11 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.478 -19.907 -30.582 0.25 15.82 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.170 -18.979 -29.449 0.25 14.44 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.075 -18.903 -29.509 0.25 15.35 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.795 -17.923 -29.411 0.25 14.21 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.500 -17.728 -29.609 0.25 14.68 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.272 -20.074 -31.513 0.25 14.20 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.413 -20.010 -31.648 0.25 17.10 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.815 -18.797 -31.935 0.25 14.22 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.212 -20.516 -31.099 0.25 20.17 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.241 -19.331 -28.563 1.00 16.33 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.640 -18.362 -27.644 1.00 17.02 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.462 -18.080 -26.392 1.00 13.60 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.472 -18.743 -26.133 1.00 15.11 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.957 -17.096 -25.676 1.00 13.93 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.527 -16.606 -24.424 1.00 14.11 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.964 -15.166 -24.664 1.00 13.98 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.169 -14.346 -25.157 1.00 15.41 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.508 -16.736 -23.293 1.00 15.91 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.129 -18.172 -22.938 1.00 16.18 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.975  -18.242 -21.897 1.00 18.52 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.652  -19.655 -21.483 1.00 21.24 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.561  -19.658 -20.469 1.00 23.64 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.177 -14.817 -24.231 1.00 13.12 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.795 -13.498 -24.435 1.00 12.95 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.448 -13.075 -23.119 1.00 12.69 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.034 -13.910 -22.417 1.00 13.47 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.909 -13.583 -25.465 1.00 13.80 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.499 -13.766 -26.914 1.00 13.95 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.732 -15.326 -27.431 1.00 15.96 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.957 -16.539 -27.013 1.00 15.97 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.433 -11.791 -22.832 1.00 12.53 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.034 -11.206 -21.609 1.00 12.71 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.661 -9.865  -21.975 1.00 12.81 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -16.024 -9.031  -22.693 1.00 13.71 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.970 -11.028 -20.517 1.00 13.63 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.483 -10.421 -19.236 1.00 13.38 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.246 -11.167 -18.356 1.00 13.17 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.309 -9.061  -18.967 1.00 13.90 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.745 -10.616 -17.175 1.00 14.25 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.815 -8.497  -17.799 1.00 13.48 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.535 -9.260  -16.912 1.00 13.49 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.059 -8.694  -15.782 1.00 15.61 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.870 -9.605  -21.484 1.00 11.64 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.449 -8.245  -21.574 1.00 12.11 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.325 -7.992  -20.342 1.00 12.08 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.685 -8.922  -19.623 1.00 12.69 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.181 -8.043  -22.935 1.00 11.73 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.348 -8.922  -23.205 1.00 11.41 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.675 -8.625  -22.995 1.00 11.39 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.352 -10.237 -23.752 1.00 11.75 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.484 -9.655  -23.394 1.00 11.84 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.692 -10.677 -23.842 1.00 11.82 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.334 -11.118 -24.145 1.00 13.18 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.044 -11.911 -24.364 1.00 12.38 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.672 -12.347 -24.666 1.00 15.73 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -21.005 -12.751 -24.750 1.00 14.28 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.745 -6.732  -20.204 1.00 11.41 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.592 -6.280  -19.073 1.00 11.25 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.805 -5.482  -19.553 1.00 10.80 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.728 -4.786  -20.547 1.00 11.96 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.797 -5.431  -18.080 1.00 13.31 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.689 -6.232  -17.401 1.00 15.73 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.849 -5.484  -16.391 1.00 18.29 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.026 -4.225  -16.303 1.00 23.23 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -17.008 -6.161  -15.668 1.00 17.28 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.910 -5.700  -18.855 1.00 11.42 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.188 -5.054  -19.187 1.00 11.31 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.731 -4.393  -17.940 1.00 10.69 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.856 -5.025  -16.886 1.00 12.23 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.197 -6.063  -19.750 1.00 11.17 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.442 -5.341  -20.207 1.00 12.37 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.573 -6.957  -20.821 1.00 12.26 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.190 -3.147  -18.118 1.00 11.21 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.862 -2.354  -17.054 1.00 13.02 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.361 -2.634  -17.092 1.00 11.19 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.979 -2.495  -18.198 1.00 11.91 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.600 -0.851  -17.226 1.00 14.00 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.991 -0.043  -15.984 1.00 16.56 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.130 -0.040  -15.640 1.00 16.31 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.082 0.400   -15.247 1.00 20.87 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.944 -3.045  -15.969 1.00 11.62 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.384 -3.391  -15.793 1.00 12.05 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.060 -2.478  -14.739 1.00 12.66 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.127 -2.824  -14.244 1.00 13.46 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.515 -4.904  -15.454 1.00 12.03 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.947 -5.825  -16.564 1.00 12.03 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.889 -5.267  -14.121 1.00 12.58 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.422 -1.367  -14.378 1.00 12.90 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.930 -0.444  -13.347 1.00 14.62 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.412 -0.119  -13.588 1.00 13.92 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.823 0.216   -14.706 1.00 14.46 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.118 0.847   -13.368 1.00 15.31 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.739 0.577   -13.081 1.00 18.10 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.659 1.835   -12.354 1.00 18.84 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.151 -0.210  -12.496 1.00 16.43 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.589 0.124   -12.312 1.00 19.36 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.541 -0.704  -13.176 1.00 20.34 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.768 -0.448  -13.147 1.00 25.26 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.843 1.625   -12.423 1.00 27.17 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.510 2.266   -13.759 1.00 33.19 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.444 3.403   -14.119 1.00 37.82 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.021 4.423   -14.665 1.00 44.90 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.738 3.181   -13.927 1.00 44.68 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.116 -1.781  -13.796 1.00 14.30 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -35.050 -2.637  -14.539 1.00 12.34 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.730 -3.671  -13.656 1.00 11.81 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.087 -4.206  -12.685 1.00 13.35 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.320 -3.336  -15.681 1.00 12.26 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.878 -2.349  -16.793 1.00 13.07 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.390 -2.979  -18.070 1.00 13.64 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.461 -3.729  -18.821 1.00 12.38 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.648 -2.876  -19.157 1.00 11.33 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.975 -3.974  -13.966 1.00 10.77 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.784 -4.992  -13.282 1.00 10.86 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.678 -6.352  -13.960 1.00 10.58 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.046 -7.356  -13.382 1.00 11.85 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.270 -4.583  -13.256 1.00 11.78 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.575 -3.331  -12.465 1.00 12.92 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -41.036 -2.895  -12.591 1.00 12.96 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.428 -2.057  -11.755 1.00 15.71 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.756 -3.418  -13.471 1.00 13.86 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.365 -6.398  -15.254 1.00 10.43 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.347 -7.642  -16.029 1.00 10.32 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.388 -7.501  -17.199 1.00 11.70 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.331 -6.447  -17.852 1.00 11.15 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.733 -7.962  -16.524 1.00 11.48 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.663 -8.595  -17.460 1.00 10.51 ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.676 -8.676  -18.582 1.00 9.99  ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.159 -10.096 -18.683 1.00 10.55 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.272 -10.857 -17.714 1.00 11.07 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.502 -7.701  -18.375 1.00 10.75 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.843 -7.730  -17.034 1.00 10.92 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -33.052 -6.885  -16.002 1.00 11.96 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.862 -8.666  -16.515 1.00 10.71 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.280 -7.153  -14.926 1.00 11.22 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.572 -8.311  -15.186 1.00 11.51 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.226 -9.824  -17.043 1.00 11.65 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.625 -8.971  -14.394 1.00 11.55 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.320 -10.515 -16.248 1.00 12.17 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -30.018 -10.081 -14.940 1.00 11.98 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.637 -10.434 -19.851 1.00 10.13 ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.873 -11.693 -20.068 1.00 10.32 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.501 -11.295 -20.625 1.00 10.54 ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.466 -10.403 -21.493 1.00 10.16 ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.548 -12.659 -21.033 1.00 11.76 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -35.031 -12.888 -20.887 1.00 13.47 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.464 -12.894 -19.772 1.00 16.41 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.707 -13.063 -21.939 1.00 15.74 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.438 -12.009 -20.275 1.00 9.37  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.079 -11.760 -20.788 1.00 9.65  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.372 -13.095 -20.982 1.00 9.29  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.490 -14.005 -20.169 1.00 9.66  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.266 -10.913 -19.822 1.00 9.96  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.605 -9.428  -19.707 1.00 11.40 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.746 -8.803  -18.602 1.00 12.69 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.402 -8.739  -21.034 1.00 11.76 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.529 -13.130 -22.014 1.00 8.60  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.563 -14.232 -22.145 1.00 9.54  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -26.021 -14.298 -23.561 1.00 8.98  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.627 -13.281 -24.137 1.00 9.47  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.935 -15.529 -24.075 0.25 9.17  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -26.010 -15.502 -24.114 0.25 9.49  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.531 -15.813 -25.484 0.25 9.34  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.432 -15.754 -25.461 0.25 9.77  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.519 -16.789 -26.103 0.25 9.76  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.320 -16.843 -26.091 0.25 10.05 ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.248 -17.501 -25.401 0.25 10.46 ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.892 -17.632 -25.333 0.25 10.66 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.126 -16.427 -25.616 0.25 9.61  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.942 -16.133 -25.296 0.25 10.55 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.086 -15.408 -25.238 0.25 9.46  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.774 -17.499 -24.641 0.25 10.53 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.962 -17.715 -24.817 0.25 9.50  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.161 -16.054 -26.594 0.25 11.34 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.489 -16.854 -27.422 1.00 10.00 ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.304 -17.842 -28.116 1.00 11.04 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.636 -18.244 -29.430 1.00 10.39 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.752 -17.536 -29.948 1.00 10.68 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.709 -17.297 -28.381 1.00 12.12 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.800 -15.888 -29.522 1.00 11.96 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.056 -19.381 -29.950 0.25 10.62 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.046 -19.397 -29.948 0.25 10.27 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.626 -19.759 -31.315 0.25 11.39 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.615 -19.853 -31.301 0.25 10.80 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.063 -18.706 -32.331 0.25 11.16 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.127 -18.875 -32.379 0.25 10.95 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.107 -18.074 -32.201 0.25 10.16 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.324 -18.451 -32.305 0.25 10.40 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.254 -21.085 -31.720 0.25 12.51 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.159 -21.263 -31.563 0.25 11.35 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.825 -22.209 -30.801 0.25 13.46 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.443 -22.016 -32.677 0.25 11.28 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.380 -23.532 -31.254 0.25 15.05 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.996 -23.398 -32.949 0.25 11.54 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.019 -24.601 -30.334 0.25 14.29 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.849 -24.214 -31.763 0.25 11.50 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.841 -25.569 -29.979 0.25 15.02 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.853 -24.794 -31.115 0.25 11.40 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.067 -25.599 -30.463 0.25 15.38 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.073 -24.748 -31.586 0.25 12.45 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.422 -26.505 -29.151 0.25 16.12 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.627 -25.451 -29.997 0.25 11.62 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.289 -18.569 -33.392 1.00 12.10 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.684 -17.672 -34.493 1.00 13.32 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.992 -18.167 -35.088 1.00 14.27 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.748 -17.305 -35.630 1.00 17.00 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.576 -17.618 -35.549 1.00 15.12 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.170 -18.907 -36.205 1.00 18.02 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.646 -20.003 -35.793 1.00 20.27 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.376 -18.795 -37.196 1.00 21.96 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.277 -19.462 -35.077 1.00 13.11 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.451 -20.011 -35.787 1.00 15.42 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.704 -20.193 -34.907 1.00 13.82 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.609 -20.916 -35.280 1.00 15.06 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.041 -21.287 -36.441 1.00 18.26 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.610 -22.202 -35.506 1.00 18.41 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.767 -19.542 -33.737 1.00 12.54 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -32.003 -19.634 -32.933 1.00 12.90 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.210 -19.145 -33.742 1.00 12.38 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.096 -18.222 -34.552 1.00 13.49 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.918 -18.893 -31.577 1.00 11.94 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.897 -19.576 -30.672 1.00 12.00 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.692 -17.408 -31.711 1.00 12.14 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.339 -19.767 -33.448 1.00 13.51 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.682 -19.320 -33.917 1.00 14.93 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.903 -17.835 -33.607 1.00 14.24 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.628 -17.403 -32.501 1.00 14.73 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.709 -20.199 -33.203 1.00 17.25 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.189 -19.899 -33.490 1.00 20.05 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.084 -20.756 -32.604 1.00 24.07 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.669 -21.756 -31.971 1.00 25.81 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.357 -20.376 -32.492 1.00 25.66 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.449 -17.095 -34.552 1.00 13.77 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.738 -15.634 -34.420 1.00 12.65 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.249 -15.425 -34.274 1.00 14.09 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.624 -14.409 -33.673 1.00 14.23 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.214 -14.814 -35.582 1.00 13.85 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.742 -15.031 -35.864 1.00 13.44 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.816 -14.750 -34.657 1.00 13.67 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.449 -15.249 -34.979 1.00 15.13 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.527 -14.549 -35.607 1.00 14.21 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.796 -13.325 -35.984 1.00 17.06 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.353 -15.066 -35.916 1.00 17.57 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.094 -16.263 -34.881 1.00 14.10 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.556 -15.996 -35.027 1.00 14.53 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.372 -16.874 -34.111 1.00 15.93 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -41.017 -18.082 -33.973 1.00 17.66 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.963 -16.185 -36.489 1.00 15.24 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.123 -15.445 -37.490 1.00 16.50 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.074 -13.910 -37.271 1.00 17.39 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.282 -13.243 -38.357 1.00 17.64 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.190 -11.770 -38.184 1.00 17.50 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.448 -16.360 -33.537 1.00 17.19 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.337 -17.168 -32.704 1.00 17.08 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.848 -17.309 -31.279 1.00 18.79 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.853 -16.591 -30.880 1.00 17.78 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.498 -18.192 -30.539 1.00 18.92 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.226 -18.443 -29.119 1.00 19.98 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.167 -19.527 -28.971 1.00 19.93 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.067 -20.440 -29.816 1.00 19.84 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.521 -18.874 -28.425 1.00 23.22 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.545 -17.767 -28.501 1.00 29.75 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.914 -18.273 -28.166 1.00 38.51 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.370 -18.118 -27.035 1.00 48.79 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.543 -18.913 -29.146 1.00 40.38 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.308 -19.339 -27.971 1.00 16.56 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.293 -20.339 -27.595 1.00 16.63 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.789 -20.063 -26.185 1.00 16.27 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.930 -18.949 -25.660 1.00 17.38 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.102 -20.300 -28.549 1.00 16.10 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.466 -18.942 -28.706 1.00 15.73 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.483 -18.531 -27.820 1.00 16.28 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.818 -18.085 -29.739 1.00 15.89 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.853 -17.309 -27.966 1.00 15.67 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.201 -16.855 -29.885 1.00 15.30 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.220 -16.472 -28.995 1.00 15.61 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.218 -21.081 -25.542 0.25 16.61 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.203 -21.103 -25.589 0.25 15.93 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.594 -20.943 -24.203 0.25 16.72 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.544 -21.069 -24.262 0.25 15.71 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.079 -20.801 -24.361 0.25 14.97 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.061 -20.726 -24.442 0.25 14.31 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.483 -21.426 -25.269 0.25 14.55 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.465 -21.095 -25.503 0.25 13.99 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.912 -22.093 -23.308 0.25 19.08 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.718 -22.380 -23.543 0.25 16.66 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.568 -23.302 -23.950 0.25 21.79 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.086 -22.569 -23.191 0.25 18.84 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.487 -20.041 -23.451 1.00 14.03 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -35.034 -19.868 -23.382 1.00 14.41 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.446 -21.076 -22.688 1.00 14.23 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.559 -21.240 -21.474 1.00 16.18 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.656 -18.595 -22.639 1.00 14.54 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.164 -17.305 -23.261 1.00 15.77 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.824 -16.101 -22.380 1.00 16.33 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.606 -17.110 -24.651 1.00 16.94 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.746 -21.944 -23.424 1.00 13.37 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.157 -23.187 -22.893 1.00 13.23 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.937 -23.522 -23.729 1.00 11.75 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.933 -23.212 -24.921 1.00 11.87 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.117 -24.362 -22.902 1.00 15.00 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.457 -24.692 -24.234 1.00 17.71 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -31.011 -24.318 -23.211 1.00 11.47 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.901 -24.807 -24.029 1.00 13.52 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.406 -25.697 -25.171 1.00 12.90 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.836 -25.574 -26.293 1.00 13.48 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -29.014 -25.602 -23.041 1.00 13.55 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.315 -24.891 -21.709 1.00 14.31 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.793 -24.570 -21.784 1.00 13.36 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.495 -26.439 -24.994 1.00 13.87 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.038 -27.282 -26.096 1.00 16.44 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.453 -26.397 -27.271 1.00 15.43 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.415 -26.822 -28.440 1.00 16.95 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.206 -28.111 -25.569 1.00 20.09 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.840 -28.957 -24.365 1.00 29.34 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.231 -28.420 -22.991 1.00 34.82 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.473 -27.563 -22.381 1.00 22.88 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.292 -28.913 -22.489 1.00 43.14 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.924 -25.171 -27.018 1.00 13.66 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.321 -24.211 -28.070 1.00 13.53 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.172 -23.283 -28.478 1.00 12.56 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.380 -22.422 -29.332 1.00 13.69 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.549 -23.387 -27.644 1.00 14.78 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.834 -24.164 -27.631 1.00 16.90 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.936 -25.232 -28.260 1.00 19.78 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.800 -23.694 -26.854 1.00 18.44 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.956 -23.458 -27.966 1.00 11.19 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.795 -22.679 -28.382 1.00 11.08 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.548 -21.414 -27.586 1.00 10.33 ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.879 -20.528 -28.080 1.00 11.20 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.998 -21.381 -26.313 1.00 10.84 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.792 -20.194 -25.434 1.00 10.39 ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.126 -20.554 -24.106 1.00 9.90  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.556 -21.554 -23.491 1.00 11.72 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.136 -19.532 -25.084 1.00 11.23 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.914 -19.018 -26.274 1.00 10.55 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.842 -19.819 -26.915 1.00 11.29 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.795 -17.719 -26.708 1.00 11.25 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.566 -19.361 -28.020 1.00 12.40 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.530 -17.265 -27.786 1.00 12.18 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.424 -18.076 -28.422 1.00 11.23 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.160 -19.733 -23.694 1.00 9.39  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.489 -19.830 -22.366 1.00 9.88  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.652 -18.465 -21.706 1.00 8.99  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.903 -17.538 -21.999 1.00 9.88  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -26.024 -20.284 -22.518 1.00 9.92  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.916 -21.650 -23.144 1.00 9.50  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.839 -22.850 -22.523 1.00 11.14 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.945 -21.967 -24.562 1.00 10.31 ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.888 -23.890 -23.426 1.00 11.31 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.922 -23.376 -24.685 1.00 11.01 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.999 -21.191 -25.723 1.00 10.90 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -26.005 -24.000 -25.943 1.00 12.43 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.039 -21.815 -26.955 1.00 12.72 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.051 -23.194 -27.048 1.00 12.41 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.636 -18.382 -20.801 1.00 9.30  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.173 -17.077 -20.336 1.00 9.20  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.502 -17.148 -18.824 1.00 9.64  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.768 -18.224 -18.280 1.00 9.62  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.425 -16.639 -21.095 1.00 10.00 ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.480 -17.547 -20.887 1.00 10.91 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.142 -16.426 -22.565 1.00 10.41 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.548 -15.959 -18.238 1.00 9.74  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.188 -15.748 -16.892 1.00 9.53  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.194 -14.614 -17.071 1.00 9.69  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.134 -13.835 -18.076 1.00 10.20 ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.182 -15.453 -15.756 1.00 9.82  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.485 -14.106 -15.945 1.00 10.69 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.163 -16.586 -15.675 1.00 10.39 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.686 -13.631 -14.767 1.00 11.28 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.057 -14.477 -16.089 1.00 10.12 ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.060 -13.394 -16.133 1.00 10.73 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.477 -12.957 -14.756 1.00 10.57 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.284 -13.626 -13.727 1.00 11.06 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.263 -13.806 -16.930 1.00 12.82 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -35.059 -14.936 -16.433 1.00 14.50 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.892 -14.955 -15.352 1.00 14.62 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.158 -16.207 -17.061 1.00 14.73 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.555 -16.144 -15.306 1.00 17.71 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.135 -16.935 -16.342 1.00 15.63 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.575 -16.769 -18.195 1.00 16.06 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.488 -18.241 -16.690 1.00 18.73 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.952 -18.034 -18.551 1.00 17.79 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.884 -18.743 -17.816 1.00 17.63 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.064 -11.749 -14.746 1.00 10.64 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.853 -11.203 -13.620 1.00 10.86 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.314 -11.153 -14.025 1.00 10.74 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.623 -10.677 -15.131 1.00 10.87 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.391 -9.798  -13.315 1.00 11.42 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.236 -9.032  -12.293 1.00 11.63 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.258 -9.689  -10.913 1.00 12.10 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.749 -7.599  -12.198 1.00 13.56 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.199 -11.606 -13.143 1.00 11.88 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.655 -11.599 -13.388 1.00 12.82 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.364 -11.648 -12.043 1.00 14.43 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.066 -12.529 -11.222 1.00 14.62 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -39.029 -12.806 -14.247 1.00 16.31 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.479 -13.056 -14.364 1.00 18.57 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.246 -14.073 -13.849 1.00 19.93 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.337 -12.242 -15.155 1.00 18.73 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.534 -13.894 -14.235 1.00 20.10 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.624 -12.795 -15.049 1.00 17.22 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.155 -11.108 -15.950 1.00 17.91 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.733 -12.250 -15.684 1.00 21.51 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.263 -10.540 -16.548 1.00 22.34 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.531 -11.095 -16.414 1.00 21.24 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.246 -10.665 -11.790 1.00 12.89 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.067 -10.699 -10.546 1.00 13.41 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.176 -10.890 -9.348  1.00 14.48 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.534 -11.737 -8.445  1.00 16.33 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.179 -11.730 -10.670 1.00 15.30 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.099 -11.423 -11.830 1.00 16.25 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.363 -12.239 -11.899 1.00 17.89 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.311 -11.890 -12.624 1.00 21.71 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.410 -13.314 -11.130 1.00 17.46 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.158 -10.085 -9.218  1.00 14.99 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.360 -9.981  -7.994  1.00 19.31 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.579 -11.281 -7.717  1.00 19.49 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -37.004 -11.367 -6.592  1.00 26.63 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.331 -9.669  -6.853  1.00 22.42 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.673 -9.072  -5.661  1.00 29.36 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.727 -8.263  -5.833  1.00 32.03 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.156 -9.412  -4.543  1.00 38.14 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.408 -12.172 -8.700  1.00 15.65 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.527 -13.365 -8.568  1.00 17.62 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.603 -13.470 -9.780  1.00 15.08 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.985 -13.119 -10.935 1.00 14.69 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.344 -14.585 -8.230  1.00 20.83 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.975 -15.134 -9.342  1.00 31.06 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.413 -13.978 -9.536  1.00 13.07 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.399 -14.272 -10.584 1.00 12.19 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.366 -15.763 -10.849 1.00 11.94 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.361 -16.559 -9.908  1.00 12.73 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -32.044 -13.736 -10.174 1.00 12.20 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.991 -12.234 -9.929  1.00 12.45 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.215 -11.693 -8.664  1.00 13.22 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.606 -11.375 -10.937 1.00 12.31 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.121 -10.323 -8.446  1.00 13.58 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.538 -10.002 -10.740 1.00 12.42 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.754 -9.491  -9.471  1.00 12.76 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.761 -8.134  -9.206  1.00 13.99 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.347 -16.156 -12.127 0.25 11.39 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.380 -16.143 -12.134 0.25 11.36 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.321 -17.591 -12.515 0.25 11.93 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.360 -17.561 -12.581 0.25 11.86 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.424 -17.811 -13.731 0.25 10.65 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.293 -17.746 -13.668 0.25 10.26 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.375 -16.961 -14.620 0.25 11.06 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.929 -16.769 -14.373 0.25 9.46  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.726 -18.092 -12.821 0.25 13.15 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.730 -17.985 -13.104 0.25 13.35 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.701 -17.918 -11.662 0.25 14.98 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.863 -17.860 -12.085 0.25 15.88 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.123 -18.308 -12.022 0.25 16.38 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -36.017 -19.040 -11.133 0.25 17.12 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.566 -17.958 -13.128 0.25 18.82 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.533 -20.140 -11.450 0.25 21.26 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.788 -18.971 -11.200 0.25 16.82 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.666 -18.863 -10.092 0.25 22.33 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.785 -18.981 -13.776 1.00 10.47 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -31.021 -19.411 -14.958 1.00 10.89 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.955 -20.152 -15.894 1.00 10.91 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.829 -20.955 -15.502 1.00 11.33 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.860 -20.307 -14.573 1.00 11.18 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.795 -19.892 -17.205 1.00 10.75 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.596 -20.466 -18.290 1.00 12.20 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.224 -21.886 -18.602 1.00 12.07 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.937 -22.239 -19.747 1.00 14.70 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.180 -22.782 -17.640 1.00 14.22 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.210 -24.238 -17.853 1.00 14.84 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.643 -24.700 -18.117 1.00 15.07 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.565 -23.923 -17.917 1.00 18.28 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.608 -24.868 -16.619 1.00 12.82 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.294 -24.425 -15.427 1.00 13.35 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.163 -24.553 -16.446 1.00 14.49 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.842 -25.989 -18.430 1.00 19.34 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.197 -26.547 -18.594 1.00 22.52 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.367 -27.737 -17.652 1.00 24.41 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.698 -28.755 -17.822 1.00 25.18 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.466 -26.914 -20.051 1.00 27.24 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.813 -27.366 -20.173 1.00 30.31 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.136 -27.594 -16.554 1.00 21.41 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.815 -26.363 -16.162 1.00 21.31 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.824 -25.356 -15.538 1.00 17.72 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.679 -25.688 -15.272 1.00 16.98 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.836 -26.849 -15.134 1.00 25.25 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.113 -27.975 -14.450 1.00 24.78 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.349 -28.675 -15.564 1.00 23.84 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.270 -24.134 -15.342 1.00 16.76 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.413 -23.022 -14.863 1.00 15.36 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.875 -23.301 -13.446 1.00 13.60 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.513 -24.040 -12.671 1.00 15.20 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.110 -21.665 -14.953 1.00 20.10 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.202 -21.431 -13.937 1.00 27.87 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.572 -21.636 -14.530 1.00 37.98 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.799 -22.508 -15.374 1.00 44.35 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.512 -20.842 -14.045 1.00 45.74 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.742 -22.708 -13.144 1.00 12.16 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -33.022 -22.903 -11.868 1.00 12.12 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -33.044 -21.603 -11.082 1.00 12.10 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.582 -20.569 -11.559 1.00 12.87 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.593 -23.391 -12.139 1.00 11.88 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.640 -24.620 -12.856 1.00 13.10 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.849 -23.581 -10.837 1.00 12.86 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.411 -21.672 -9.806  1.00 12.12 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.364 -20.532 -8.879  1.00 13.16 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.939 -20.064 -8.645  1.00 12.39 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -31.033 -20.912 -8.388  1.00 14.40 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -34.007 -20.976 -7.553  1.00 16.14 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.374 -21.286 -7.789  1.00 18.00 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.807 -19.939 -6.471  1.00 18.69 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.702 -18.772 -8.729  1.00 11.78 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.414 -18.163 -8.414  1.00 11.15 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.475 -17.585 -6.993  1.00 14.05 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.591 -17.298 -6.501  1.00 16.53 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.967 -17.093 -9.430  1.00 11.51 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.878 -17.589 -10.872 1.00 10.91 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.642 -16.449 -11.869 1.00 11.91 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.821 -18.688 -11.016 1.00 11.74 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.333 -17.457 -6.362  1.00 12.62 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.201 -16.995 -4.946  1.00 13.23 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.368 -15.733 -4.972  1.00 14.31 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.113 -15.787 -5.028  1.00 19.69 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.549 -18.097 -4.089  1.00 14.25 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.327 -19.365 -4.057  1.00 14.44 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -29.020 -20.435 -4.893  1.00 16.89 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.394 -19.736 -3.351  1.00 16.30 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.887 -21.407 -4.656  1.00 17.60 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.737 -21.020 -3.705  1.00 17.12 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -29.011 -14.585 -5.012  1.00 16.50 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.342 -13.261 -5.141  1.00 20.07 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.756 -12.411 -3.908  1.00 19.76 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.944 -12.160 -3.715  1.00 26.08 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.719 -12.622 -6.501  1.00 21.01 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.216 -13.470 -7.689  1.00 19.38 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.251 -11.167 -6.518  1.00 25.08 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.434 -12.887 -9.076  1.00 19.36 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.798 -12.064 -3.080  1.00 22.88 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -28.048 -11.257 -1.845  1.00 24.48 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -28.012 -9.767  -2.199  1.00 23.54 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.815 -8.996  -1.603  1.00 23.41 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.966 -11.588 -0.807  1.00 27.01 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -27.032 -10.768 0.486   1.00 34.62 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.315 -10.978 1.260   1.00 38.57 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.976 -12.008 1.146   1.00 44.87 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.681 -9.990  2.064   1.00 41.58 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.185 -9.382  -3.173  1.00 19.69 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.991 -7.953  -3.593  1.00 17.93 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.544 -7.772  -5.007  1.00 17.48 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.898 -8.251  -5.958  1.00 16.67 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.509 -7.573  -3.544  1.00 19.75 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.257 -6.144  -4.062  1.00 20.94 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.965 -7.727  -2.122  1.00 21.59 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.769 -7.231  -5.214  1.00 16.11 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.321 -7.116  -6.568  1.00 16.69 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.332 -6.426  -7.474  1.00 16.02 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.813 -5.364  -7.195  1.00 16.77 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.570 -6.242  -6.338  1.00 19.62 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.999 -6.666  -4.933  1.00 20.81 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.718 -6.764  -4.170  1.00 20.03 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.939 -7.040  -8.609  1.00 14.47 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.927 -6.456  -9.466  1.00 14.13 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.424 -5.232  -10.238 1.00 14.14 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.515 -5.260  -10.750 1.00 14.65 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.513 -7.629  -10.385 1.00 14.82 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.686 -8.546  -10.348 1.00 17.20 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.264 -8.432  -8.963  1.00 15.06 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.539 -4.260  -10.371 1.00 13.62 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.731 -3.130  -11.318 1.00 14.21 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.955 -3.363  -12.607 1.00 13.44 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.274 -2.791  -13.641 1.00 13.07 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.324 -1.795  -10.719 1.00 16.99 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.338 -1.354  -9.273  1.00 24.16 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.865 -4.146  -12.566 0.25 13.22 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -25.024 -4.313  -12.537 0.25 13.56 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.138 -4.585  -13.798 0.25 13.32 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.127 -4.643  -13.666 0.25 14.53 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.781 -6.075  -13.682 0.25 12.80 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.881 -6.155  -13.634 0.25 13.38 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.366 -6.514  -12.585 0.25 11.76 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.764 -6.731  -12.525 0.25 12.25 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.841 -3.823  -14.111 0.25 14.49 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.853 -3.802  -13.583 0.25 17.22 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.000 -2.326  -14.334 0.25 15.40 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.100 -2.308  -13.731 0.25 18.91 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.931 -1.574  -13.029 0.25 17.09 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.873 -1.545  -14.161 0.25 20.92 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.183 -1.939  -12.126 0.25 17.23 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.769 -2.077  -14.212 0.25 25.22 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.734 -0.523  -12.911 0.25 17.38 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -22.063 -0.280  -14.479 0.25 23.23 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.924 -6.773  -14.818 1.00 12.24 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.739 -8.238  -14.985 1.00 11.83 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.498 -8.382  -15.872 1.00 12.09 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.447 -7.809  -16.985 1.00 11.86 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.981 -8.879  -15.617 1.00 12.71 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.281 -8.705  -14.811 1.00 15.59 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.720 -10.368 -15.907 1.00 12.79 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.303 -9.454  -13.547 1.00 15.18 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.574 -9.276  -15.496 1.00 12.26 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.466 -9.736  -16.348 1.00 11.78 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.757 -11.105 -16.942 1.00 11.66 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.324 -11.955 -16.266 1.00 11.88 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.503 -11.250 -18.251 1.00 11.76 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.774 -12.516 -19.010 1.00 11.51 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.449 -12.987 -19.599 1.00 12.11 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.752 -12.217 -20.280 1.00 11.76 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.810 -12.284 -20.120 1.00 12.74 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.090 -11.751 -19.486 1.00 13.85 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.072 -13.575 -20.900 1.00 13.29 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.121 -11.352 -20.457 1.00 16.54 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.082 -14.218 -19.257 1.00 11.60 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.834 -14.872 -19.708 1.00 11.31 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.187 -16.119 -20.495 1.00 11.04 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.974 -16.956 -20.051 1.00 11.70 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.967 -15.268 -18.524 1.00 12.35 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.718 -16.024 -18.894 1.00 13.62 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.711 -15.403 -19.585 1.00 14.63 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.543 -17.347 -18.528 1.00 14.90 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.559 -16.113 -19.918 1.00 16.46 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.404 -18.069 -18.885 1.00 16.96 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.405 -17.426 -19.554 1.00 15.92 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.636 -16.225 -21.711 1.00 11.56 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.803 -17.413 -22.587 1.00 12.14 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.419 -18.008 -22.869 1.00 10.85 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.523 -17.286 -23.336 1.00 12.60 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.521 -17.058 -23.894 1.00 12.17 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.661 -18.297 -24.760 1.00 13.75 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.894 -16.416 -23.616 1.00 13.32 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.270 -19.287 -22.568 1.00 11.29 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.081 -20.080 -23.011 1.00 12.57 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.583 -21.091 -24.033 1.00 11.19 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.212 -22.104 -23.670 1.00 11.73 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.358 -20.695 -21.836 1.00 13.55 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.095 -21.484 -22.196 1.00 15.19 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.964 -21.899 -23.377 1.00 15.54 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.280 -21.612 -21.233 1.00 19.24 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.348 -20.782 -25.317 1.00 12.41 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.920 -21.599 -26.396 1.00 12.73 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.415 -23.056 -26.325 1.00 13.19 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.162 -23.994 -26.291 1.00 14.05 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.676 -20.979 -27.784 1.00 12.44 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.611 -21.583 -28.817 1.00 13.25 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.422 -22.853 -29.337 1.00 13.19 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.753 -20.905 -29.242 1.00 12.58 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.310 -23.439 -30.208 1.00 12.95 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.660 -21.467 -30.131 1.00 12.87 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.444 -22.737 -30.632 1.00 12.26 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.334 -23.333 -31.470 1.00 12.90 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.112 -23.187 -26.223 1.00 14.78 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.469 -24.533 -26.250 1.00 15.27 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.906 -25.355 -25.052 1.00 15.34 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.249 -26.542 -25.215 1.00 16.94 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.960 -24.396 -26.307 1.00 17.45 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.490 -24.194 -27.751 1.00 24.21 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.887 -22.901 -28.365 1.00 28.82 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.159 -22.899 -29.526 1.00 24.39 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.931 -21.887 -27.633 1.00 30.07 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.963 -24.757 -23.864 1.00 13.48 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.341 -25.459 -22.645 1.00 14.31 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.844 -25.755 -22.587 1.00 14.61 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.246 -26.625 -21.801 1.00 16.67 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.909 -24.663 -21.437 1.00 16.31 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.691 -25.073 -23.366 1.00 12.64 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.140 -25.226 -23.271 1.00 12.16 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.681 -24.617 -21.962 1.00 11.21 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.464 -25.298 -21.284 1.00 12.20 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.284 -23.388 -21.666 1.00 11.67 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.676 -22.704 -20.389 1.00 11.98 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.272 -21.339 -20.723 1.00 11.72 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.675 -20.561 -21.492 1.00 12.02 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.435 -22.536 -19.498 1.00 12.68 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.710 -21.553 -18.345 1.00 13.49 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.988 -23.915 -19.029 1.00 13.55 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.370 -21.016 -20.037 1.00 11.33 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.911 -19.624 -19.963 1.00 10.46 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.121 -19.281 -18.477 1.00 10.09 ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.899 -20.004 -17.819 1.00 11.13 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.235 -19.513 -20.738 1.00 9.90  ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.713 -18.062 -20.713 1.00 10.53 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.108 -20.020 -22.158 1.00 10.73 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.471 -18.227 -18.020 1.00 10.04 ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.585 -17.832 -16.604 1.00 10.95 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.048 -16.376 -16.486 1.00 10.49 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.734 -15.540 -17.333 1.00 11.78 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.270 -18.022 -15.860 1.00 10.23 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.913 -19.401 -15.780 1.00 11.97 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.745 -16.115 -15.381 1.00 9.93  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.373 -14.823 -15.088 1.00 10.22 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.833 -14.366 -13.739 1.00 10.56 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.845 -15.144 -12.753 1.00 11.06 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.922 -14.939 -15.068 1.00 10.55 ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.504 -15.320 -16.407 1.00 10.28 ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.559 -16.656 -16.798 1.00 10.20 ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -25.008 -14.340 -17.260 1.00 9.94  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -25.053 -16.993 -18.055 1.00 10.44 ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.495 -14.712 -18.519 1.00 9.78  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.546 -16.031 -18.893 1.00 9.72  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.521 -13.077 -13.649 1.00 10.31 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.876 -12.465 -12.460 1.00 11.87 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.657 -11.214 -12.045 1.00 12.33 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.105 -10.398 -12.857 1.00 12.59 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.402 -12.157 -12.723 1.00 12.19 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.590 -13.392 -13.010 1.00 12.80 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.085 -14.192 -11.998 1.00 13.49 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.399 -13.830 -14.315 1.00 13.64 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.412 -15.378 -12.260 1.00 13.60 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.710 -15.002 -14.593 1.00 13.93 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.182 -15.762 -13.567 1.00 13.72 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.532 -16.963 -13.820 1.00 15.66 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.690 -10.991 -10.736 1.00 13.25 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.385 -9.834  -10.095 1.00 13.06 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.352 -8.725  -9.928  1.00 12.37 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.596 -8.749  -8.911  1.00 14.66 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.988 -10.276 -8.774  1.00 12.71 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.829 -9.180  -8.121  1.00 13.35 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.661 -7.996  -8.479  1.00 14.72 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.735 -9.571  -7.268  1.00 14.64 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.278 -7.726  -10.802 1.00 13.97 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.204 -6.709  -10.758 1.00 15.05 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.445 -5.840  -9.506  1.00 16.72 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.459 -5.358  -8.924  1.00 18.57 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.186 -5.909  -12.069 1.00 15.95 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.966 -6.800  -13.303 1.00 16.78 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.183 -4.776  -12.020 1.00 17.33 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.943 -7.879  -13.102 1.00 20.75 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.687 -5.629  -9.123  1.00 15.96 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.072 -4.774  -7.952  1.00 16.39 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.530 -5.418  -6.681  1.00 19.74 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.084 -4.662  -5.779  1.00 23.18 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.597 -4.626  -7.900  1.00 15.68 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.052 -4.151  -9.162  1.00 16.23 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.040 -3.658  -6.819  1.00 17.41 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.480 -6.741  -6.602  1.00 18.04 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.971 -7.502  -5.427  1.00 18.58 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.551 -8.030  -5.676  1.00 19.17 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.347 -9.229  -5.525  1.00 20.05 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.974 -8.554  -5.047  1.00 18.65 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.576 -9.336  -3.826  1.00 22.90 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.103 -8.701  -2.858  1.00 23.84 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.735 -10.553 -3.873  1.00 22.97 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.623 -7.177  -6.081  1.00 21.01 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.175 -7.507  -6.196  1.00 25.18 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.992 -8.717  -7.130  1.00 23.03 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -16.105 -9.546  -6.916  1.00 25.67 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.539 -7.862  -4.836  1.00 29.95 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.830 -6.970  -3.666  1.00 37.19 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.134 -5.796  -3.437  1.00 41.86 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.669 -7.126  -2.614  1.00 42.36 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.570 -5.234  -2.323  1.00 46.26 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.512 -6.037  -1.792  1.00 43.36 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.837 -8.864  -8.146  1.00 19.34 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.588 -9.897  -9.173  1.00 17.39 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -18.040 -11.274 -8.755  1.00 15.64 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.518 -12.203 -9.335  1.00 16.36 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.854 -11.428 -7.729  1.00 14.70 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.220 -12.759 -7.213  1.00 13.14 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.921 -13.590 -8.295  1.00 13.55 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.713 -13.048 -9.123  1.00 13.46 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.081 -12.659 -5.977  1.00 14.37 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.272 -11.894 -6.168  1.00 15.80 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.721 -14.888 -8.298  1.00 12.71 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.380 -15.795 -9.272  1.00 12.02 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.875 -15.848 -9.034  1.00 11.27 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.379 -16.056 -7.904  1.00 12.50 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.754 -17.193 -9.151  1.00 12.49 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.323 -18.251 -10.114 1.00 12.19 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.937 -17.968 -11.560 1.00 12.46 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.797 -19.651 -9.723  1.00 13.35 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.628 -15.716 -10.130 1.00 11.16 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.072 -15.921 -10.171 1.00 11.12 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.397 -17.335 -10.633 1.00 10.43 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.212 -18.027 -10.060 1.00 10.91 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.746 -14.832 -11.047 1.00 11.70 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.586 -13.434 -10.451 1.00 11.99 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.222 -15.172 -11.256 1.00 11.43 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -25.031 -12.311 -11.374 1.00 12.41 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.857 -17.733 -11.800 1.00 10.58 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.237 -19.036 -12.383 1.00 10.26 ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.201 -19.430 -13.438 1.00 9.78  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.700 -18.560 -14.163 1.00 10.74 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.610 -18.983 -13.115 1.00 10.54 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.155 -20.330 -13.456 1.00 10.19 ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.799 -21.115 -12.508 1.00 10.85 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -26.040 -20.832 -14.750 1.00 10.16 ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.246 -22.385 -12.810 1.00 11.34 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.474 -22.100 -15.054 1.00 11.04 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -27.090 -22.860 -14.095 1.00 11.19 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.480 -24.151 -14.370 1.00 13.53 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.914 -20.734 -13.526 1.00 9.98  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.092 -21.353 -14.596 1.00 10.90 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.876 -22.455 -15.276 1.00 10.41 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.234 -23.453 -14.674 1.00 11.45 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.759 -21.899 -14.034 1.00 11.69 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.973 -20.782 -13.624 1.00 11.52 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.999 -22.716 -15.066 1.00 12.80 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.085 -22.280 -16.597 1.00 10.55 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.468 -23.381 -17.517 1.00 10.96 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.155 -24.062 -17.951 1.00 10.90 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.283 -23.413 -18.517 1.00 11.14 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.139 -22.875 -18.786 1.00 11.38 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.511 -22.261 -18.620 1.00 9.49  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.688 -20.897 -18.369 1.00 9.66  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.644 -23.014 -18.835 1.00 9.95  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.964 -20.355 -18.284 1.00 10.17 ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.919 -22.461 -18.745 1.00 10.14 ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -28.065 -21.124 -18.469 1.00 9.37  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -22.049 -25.357 -17.654 1.00 12.32 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.895 -26.152 -18.121 1.00 13.56 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.415 -27.295 -18.978 1.00 12.97 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.623 -27.555 -19.062 1.00 14.33 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.086 -26.588 -16.928 1.00 14.56 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.779 -27.540 -16.174 1.00 18.41 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.465 -27.963 -19.673 1.00 15.38 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.837 -29.038 -20.643 1.00 16.96 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.778 -28.464 -21.716 1.00 14.87 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.718 -29.176 -22.172 1.00 16.58 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.487 -30.236 -19.951 1.00 19.87 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.800 -30.714 -18.684 1.00 25.14 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.378 -32.060 -18.318 1.00 35.59 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.442 -32.097 -17.657 1.00 39.71 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.845 -33.054 -18.825 1.00 42.02 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.565 -27.201 -22.092 1.00 13.64 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.414 -26.564 -23.119 1.00 13.18 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.165 -27.211 -24.485 1.00 13.37 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.960 -27.439 -24.802 1.00 15.20 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.228 -25.049 -23.252 1.00 12.13 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.634 -24.132 -21.743 1.00 12.77 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.218 -27.438 -25.230 1.00 13.31 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.083 -27.934 -26.626 1.00 14.64 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.522 -26.771 -27.523 1.00 13.11 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.684 -26.680 -27.890 1.00 15.72 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.820 -29.289 -26.790 1.00 16.82 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.699 -29.738 -28.250 1.00 17.50 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.290 -30.357 -25.825 1.00 18.53 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.629 -25.849 -27.856 1.00 12.79 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.939 -24.605 -28.591 1.00 12.99 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.510 -24.984 -29.961 1.00 14.53 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.530 -24.413 -30.390 1.00 15.57 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.751 -23.664 -28.604 1.00 12.56 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.321 -23.184 -27.233 1.00 11.55 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.267 -22.659 -26.346 1.00 11.71 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.991 -23.171 -26.837 1.00 13.12 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.884 -22.208 -25.085 1.00 12.05 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.606 -22.724 -25.583 1.00 12.62 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.546 -22.181 -24.731 1.00 12.03 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.813 -25.856 -30.699 1.00 13.71 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.265 -26.428 -31.986 1.00 13.98 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.375 -25.349 -33.052 1.00 13.74 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.180 -25.557 -34.031 1.00 15.03 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.519 -27.201 -31.803 1.00 14.20 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.581 -24.313 -32.977 1.00 13.68 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.628 -23.243 -33.977 1.00 14.82 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.951 -21.996 -33.469 1.00 13.29 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.548 -21.944 -32.266 1.00 13.22 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.844 -20.965 -34.287 1.00 12.35 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.382 -19.666 -33.834 1.00 12.21 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.338 -19.105 -32.760 1.00 12.17 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.541 -19.370 -32.820 1.00 12.69 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.372 -18.759 -35.074 1.00 12.60 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.485 -19.763 -36.241 1.00 13.80 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.223 -20.942 -35.718 1.00 12.47 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.755 -18.373 -31.829 1.00 11.61 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.526 -17.710 -30.732 1.00 11.31 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.629 -16.216 -30.968 1.00 11.16 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.702 -15.583 -31.457 1.00 12.75 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.862 -17.959 -29.379 1.00 11.46 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.875 -19.396 -28.870 1.00 12.84 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.042 -19.471 -27.612 1.00 12.86 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.288 -19.892 -28.629 1.00 13.07 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.759 -15.638 -30.546 1.00 11.67 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -24.001 -14.187 -30.538 1.00 11.02 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.423 -13.725 -29.142 1.00 9.79  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.194 -14.409 -28.475 1.00 10.45 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.046 -13.826 -31.594 1.00 12.48 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.537 -14.154 -33.011 1.00 14.88 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.455 -13.808 -34.141 1.00 17.02 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.508 -12.368 -34.221 1.00 16.17 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.217 -11.743 -35.134 1.00 17.00 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.836 -12.440 -36.053 1.00 17.14 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.272 -10.431 -35.117 1.00 15.99 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.973 -12.526 -28.725 1.00 9.82  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.517 -11.926 -27.489 1.00 9.82  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.039 -11.760 -27.647 1.00 9.78  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.525 -11.428 -28.716 1.00 10.36 ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.814 -10.578 -27.362 1.00 10.41 ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.521 -10.777 -28.192 1.00 11.71 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.962 -11.655 -29.340 1.00 11.95 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.770 -12.041 -26.580 1.00 9.34  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.244 -12.068 -26.548 1.00 9.72  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.758 -11.136 -25.453 1.00 8.82  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.272 -11.132 -24.317 1.00 9.29  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.728 -13.494 -26.298 1.00 9.97  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.226 -13.595 -26.125 1.00 10.17 ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.072 -13.572 -27.230 1.00 10.57 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.787 -13.640 -24.863 1.00 11.22 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.452 -13.647 -27.054 1.00 11.13 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.162 -13.638 -24.701 1.00 10.72 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.989 -13.679 -25.795 1.00 11.49 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.845 -10.397 -25.782 1.00 8.85  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.448 -9.369  -24.909 1.00 9.24  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.969 -9.439  -25.023 1.00 9.52  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.493 -9.490  -26.138 1.00 10.20 ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.998 -7.956  -25.289 1.00 9.62  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.488 -7.807  -25.381 1.00 9.64  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.827 -8.106  -26.561 1.00 9.56  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.728 -7.347  -24.310 1.00 11.07 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.440 -8.033  -26.663 1.00 10.19 ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.352 -7.210  -24.432 1.00 11.22 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.718 -7.559  -25.611 1.00 11.20 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.648 -9.254  -23.906 1.00 10.14 ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.103 -9.014  -23.869 1.00 9.62  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.329 -7.885  -22.888 1.00 8.98  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -34.028 -8.031  -21.675 1.00 10.16 ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.890 -10.247 -23.448 1.00 10.09 ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.385 -10.052 -23.546 1.00 11.04 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.899 -8.983  -23.847 1.00 11.73 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.114 -11.106 -23.313 1.00 12.49 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.845 -6.729  -23.350 1.00 9.57  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.109 -5.570  -22.445 1.00 10.29 ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.373 -5.794  -21.614 1.00 10.29 ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.615 -4.975  -20.681 1.00 11.27 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.189 -4.221  -23.184 1.00 11.05 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.885 -3.883  -23.865 1.00 12.06 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.346 -4.186  -24.165 1.00 11.35 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.187 -6.810  -21.956 1.00 10.65 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.484 -7.076  -21.289 1.00 11.44 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.564 -6.098  -21.696 1.00 10.96 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.336 -5.058  -22.288 1.00 11.03 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.791 -6.553  -21.467 1.00 11.44 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -42.003 -5.722  -21.649 1.00 11.20 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -42.045 -4.633  -20.599 1.00 11.05 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.351 -4.706  -19.577 1.00 11.06 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.277 -6.577  -21.686 1.00 12.24 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.380 -7.466  -22.897 1.00 12.58 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.749 -6.960  -24.128 1.00 15.52 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.112 -8.822  -22.800 1.00 14.48 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.814 -7.797  -25.243 1.00 16.66 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.193 -9.646  -23.923 1.00 16.18 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.571 -9.134  -25.109 1.00 16.15 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.904 -3.651  -20.831 1.00 11.08 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.115 -2.554  -19.856 1.00 10.66 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.632 -2.407  -19.667 1.00 10.49 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.151 -1.286  -19.695 1.00 12.55 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.437 -1.281  -20.320 1.00 11.40 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.489 -0.207  -19.275 1.00 11.30 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.534 -0.448  -18.079 1.00 11.79 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.440 1.037   -19.731 1.00 13.44 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.298 -3.463  -19.300 1.00 11.60 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.730 -3.409  -18.902 1.00 11.00 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.894 -2.628  -17.607 1.00 11.77 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.975 -1.964  -17.398 1.00 13.00 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.308 -4.819  -18.701 1.00 11.87 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.379 -5.673  -19.942 1.00 14.28 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.369 -5.444  -20.887 1.00 18.17 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.542 -6.769  -20.106 1.00 16.37 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.426 -6.198  -22.055 1.00 19.06 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.600 -7.535  -21.277 1.00 16.54 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.530 -7.231  -22.238 1.00 18.92 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.657 -7.993  -23.386 1.00 24.18 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.935 -2.618  -16.690 1.00 11.14 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -46.041 -2.040  -15.336 1.00 12.25 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.775 -0.524  -15.357 1.00 12.60 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.098 0.156   -14.364 1.00 14.15 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.071 -2.678  -14.400 1.00 12.57 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.725 -2.367  -14.829 1.00 12.10 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.127 -0.004  -16.395 1.00 11.53 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.608 1.374   -16.343 1.00 11.79 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.357 1.527   -15.514 1.00 12.45 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.882 2.665   -15.372 1.00 14.47 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.806 0.442   -14.959 1.00 11.76 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.592 0.472   -14.138 1.00 11.54 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.392 -0.184  -14.812 1.00 12.22 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.343 -0.243  -14.146 1.00 14.14 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.487 -0.569  -16.065 1.00 10.71 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.407 -1.301  -16.762 1.00 10.63 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.947 -0.594  -18.040 1.00 10.68 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.384 -1.260  -18.909 1.00 12.04 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.789 -2.752  -17.069 1.00 10.41 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.579 -3.637  -17.345 1.00 10.66 ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.529 -3.428  -16.747 1.00 10.63 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.731 -4.536  -18.304 1.00 10.53 ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -39.036 0.734   -18.111 1.00 11.58 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.635 1.481   -19.331 1.00 12.55 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.116 1.619   -19.496 1.00 12.34 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.679 1.876   -20.616 1.00 14.37 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.264 2.889   -19.331 1.00 13.76 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.365 1.449   -18.424 1.00 11.86 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.914 1.746   -18.479 1.00 11.93 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.223 0.847   -19.519 1.00 12.14 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.596 -0.310  -19.764 1.00 11.80 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.289 1.585   -17.117 1.00 12.32 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.131 1.350   -20.106 1.00 12.06 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.387 0.575   -21.106 1.00 12.05 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.460 -0.520  -20.523 1.00 10.71 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.129 -0.479  -19.355 1.00 12.36 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.484 1.655   -21.751 1.00 13.51 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.225 2.623   -20.637 1.00 15.50 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.562 2.700   -19.893 1.00 14.80 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.080 -1.449  -21.382 1.00 11.65 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.835 -2.229  -21.201 1.00 11.55 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.699 -1.439  -21.838 1.00 11.20 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.875 -0.945  -22.979 1.00 13.79 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.975 -3.597  -21.840 1.00 11.08 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -31.011 -4.542  -21.207 1.00 11.74 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.182 -5.828  -22.012 1.00 12.54 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.658 -4.914  -19.776 1.00 13.65 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.549 -1.373  -21.180 1.00 11.44 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.394 -0.602  -21.709 1.00 12.41 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.163 -1.488  -21.677 1.00 12.89 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.824 -2.006  -20.580 1.00 12.82 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.116 0.696   -20.937 1.00 14.08 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.297 1.630   -20.715 1.00 17.06 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.878 2.959   -20.082 1.00 20.20 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -28.006 3.882   -19.696 1.00 24.89 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.435 5.033   -18.948 1.00 31.05 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.428 -1.552  -22.763 1.00 12.75 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.091 -2.200  -22.759 1.00 12.19 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.096 -1.251  -22.103 1.00 14.06 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.951 -0.106  -22.623 1.00 17.88 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.715 -2.565  -24.191 1.00 13.36 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.458 -3.817  -24.656 1.00 13.98 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.664 -3.900  -26.158 1.00 17.81 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.818 -5.090  -24.085 1.00 13.06 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.452 -1.695  -21.036 1.00 16.26 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.547 -0.852  -20.195 1.00 18.94 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.172 -0.786  -20.820 1.00 20.33 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.689 -1.761  -21.355 1.00 21.71 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.238 -1.509  -18.866 1.00 21.55 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.657 -2.073  -17.945 1.00 21.59 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.473 0.358   -20.686 1.00 26.15 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.154 0.532   -21.262 1.00 31.35 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.163 -0.389  -20.552 1.00 30.42 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.331 -0.635  -19.355 1.00 32.55 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.874 2.031   -21.040 1.00 29.96 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.737 2.425   -19.886 1.00 30.28 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.976 1.571   -20.031 1.00 28.03 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.208 -0.876  -21.347 1.00 37.46 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.945 -1.572  -20.986 1.00 38.19 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.106 -0.696  -20.056 1.00 45.15 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.282 -1.246  -19.314 1.00 50.63 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.183 -1.837  -22.288 1.00 37.18 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.674 -3.398  -22.951 1.00 27.61 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.308 -3.156  -23.222 1.00 19.50 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.485 -4.046  -24.010 1.00 32.96 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.344 -3.432  -25.274 1.00 37.87 ? 201 EDO B O2  1 
HETATM 1571 C C10 . GQJ C 3 .   ? -35.208 -0.790  -9.461  0.42 27.31 ? 202 GQJ B C10 1 
HETATM 1572 C C13 . GQJ C 3 .   ? -37.725 1.121   -11.347 0.42 28.98 ? 202 GQJ B C13 1 
HETATM 1573 C C01 . GQJ C 3 .   ? -30.719 -3.443  -9.251  0.42 26.56 ? 202 GQJ B C01 1 
HETATM 1574 C C03 . GQJ C 3 .   ? -32.972 -2.822  -9.622  0.42 27.01 ? 202 GQJ B C03 1 
HETATM 1575 C C04 . GQJ C 3 .   ? -34.337 -3.041  -9.001  0.42 26.66 ? 202 GQJ B C04 1 
HETATM 1576 C C05 . GQJ C 3 .   ? -34.874 -4.427  -9.371  0.42 26.02 ? 202 GQJ B C05 1 
HETATM 1577 C C06 . GQJ C 3 .   ? -36.378 -4.226  -9.428  0.42 26.68 ? 202 GQJ B C06 1 
HETATM 1578 C C08 . GQJ C 3 .   ? -36.535 -2.846  -10.041 0.42 26.68 ? 202 GQJ B C08 1 
HETATM 1579 C C11 . GQJ C 3 .   ? -36.159 0.083   -10.151 0.42 27.70 ? 202 GQJ B C11 1 
HETATM 1580 C C12 . GQJ C 3 .   ? -37.190 -0.139  -10.997 0.42 27.85 ? 202 GQJ B C12 1 
HETATM 1581 C C14 . GQJ C 3 .   ? -36.976 2.054   -10.676 0.42 28.84 ? 202 GQJ B C14 1 
HETATM 1582 N N09 . GQJ C 3 .   ? -35.368 -2.126  -9.511  0.42 26.89 ? 202 GQJ B N09 1 
HETATM 1583 O O02 . GQJ C 3 .   ? -32.008 -3.032  -8.731  0.42 27.35 ? 202 GQJ B O02 1 
HETATM 1584 O O07 . GQJ C 3 .   ? -36.903 -4.224  -8.109  0.42 26.48 ? 202 GQJ B O07 1 
HETATM 1585 O O15 . GQJ C 3 .   ? -36.012 1.430   -9.943  0.42 29.08 ? 202 GQJ B O15 1 
HETATM 1586 O O16 . GQJ C 3 .   ? -34.245 -0.298  -8.877  0.42 27.20 ? 202 GQJ B O16 1 
HETATM 1587 O O17 . GQJ C 3 .   ? -32.783 -2.545  -10.769 0.42 27.37 ? 202 GQJ B O17 1 
HETATM 1588 S S   . SO4 D 4 .   ? -40.501 -24.550 -26.323 1.00 36.89 ? 203 SO4 B S   1 
HETATM 1589 O O1  . SO4 D 4 .   ? -39.753 -23.608 -27.090 1.00 24.20 ? 203 SO4 B O1  1 
HETATM 1590 O O2  . SO4 D 4 .   ? -41.370 -25.307 -27.179 1.00 43.59 ? 203 SO4 B O2  1 
HETATM 1591 O O3  . SO4 D 4 .   ? -39.554 -25.434 -25.676 1.00 41.40 ? 203 SO4 B O3  1 
HETATM 1592 O O4  . SO4 D 4 .   ? -41.283 -23.885 -25.301 1.00 40.27 ? 203 SO4 B O4  1 
HETATM 1593 O O   . HOH E 5 .   ? -38.727 -15.343 -11.599 1.00 30.91 ? 301 HOH B O   1 
HETATM 1594 O O   . HOH E 5 .   ? -26.932 -28.467 -27.864 1.00 23.28 ? 302 HOH B O   1 
HETATM 1595 O O   . HOH E 5 .   ? -22.710 -1.844  -9.674  1.00 25.79 ? 303 HOH B O   1 
HETATM 1596 O O   . HOH E 5 .   ? -45.690 3.691   -34.126 1.00 16.30 ? 304 HOH B O   1 
HETATM 1597 O O   . HOH E 5 .   ? -45.172 7.460   -24.646 1.00 38.90 ? 305 HOH B O   1 
HETATM 1598 O O   . HOH E 5 .   ? -13.484 -23.555 -31.603 1.00 14.99 ? 306 HOH B O   1 
HETATM 1599 O O   . HOH E 5 .   ? -29.498 -12.403 -37.741 1.00 22.21 ? 307 HOH B O   1 
HETATM 1600 O O   . HOH E 5 .   ? -18.691 -21.969 -35.834 1.00 16.51 ? 308 HOH B O   1 
HETATM 1601 O O   . HOH E 5 .   ? -40.138 -1.140  -9.717  1.00 26.90 ? 309 HOH B O   1 
HETATM 1602 O O   . HOH E 5 .   ? -38.066 2.793   -22.725 1.00 18.75 ? 310 HOH B O   1 
HETATM 1603 O O   . HOH E 5 .   ? -12.693 -21.310 -18.674 1.00 27.29 ? 311 HOH B O   1 
HETATM 1604 O O   . HOH E 5 .   ? -15.663 -5.483  -13.528 1.00 28.81 ? 312 HOH B O   1 
HETATM 1605 O O   . HOH E 5 .   ? -47.261 1.384   -25.597 1.00 31.93 ? 313 HOH B O   1 
HETATM 1606 O O   . HOH E 5 .   ? -45.585 0.074   -11.788 1.00 18.00 ? 314 HOH B O   1 
HETATM 1607 O O   . HOH E 5 .   ? -32.974 1.111   -33.518 1.00 19.76 ? 315 HOH B O   1 
HETATM 1608 O O   . HOH E 5 .   ? -36.729 -6.755  -8.833  1.00 30.28 ? 316 HOH B O   1 
HETATM 1609 O O   . HOH E 5 .   ? -35.980 -22.450 -19.590 1.00 24.17 ? 317 HOH B O   1 
HETATM 1610 O O   . HOH E 5 .   ? -11.131 -21.137 -25.225 1.00 28.85 ? 318 HOH B O   1 
HETATM 1611 O O   . HOH E 5 .   ? -24.559 -31.074 -21.961 1.00 31.55 ? 319 HOH B O   1 
HETATM 1612 O O   . HOH E 5 .   ? -35.718 -19.166 -30.519 1.00 28.75 ? 320 HOH B O   1 
HETATM 1613 O O   . HOH E 5 .   ? -25.902 -22.655 -35.773 1.00 28.24 ? 321 HOH B O   1 
HETATM 1614 O O   . HOH E 5 .   ? -30.841 -6.696  -11.261 1.00 14.87 ? 322 HOH B O   1 
HETATM 1615 O O   . HOH E 5 .   ? -26.213 3.490   -35.241 1.00 30.82 ? 323 HOH B O   1 
HETATM 1616 O O   . HOH E 5 .   ? -36.853 -16.247 -39.449 1.00 25.58 ? 324 HOH B O   1 
HETATM 1617 O O   . HOH E 5 .   ? -19.406 -29.769 -15.613 1.00 28.52 ? 325 HOH B O   1 
HETATM 1618 O O   . HOH E 5 .   ? -36.654 -23.066 -30.788 1.00 34.32 ? 326 HOH B O   1 
HETATM 1619 O O   . HOH E 5 .   ? -30.732 1.118   -16.983 1.00 25.46 ? 327 HOH B O   1 
HETATM 1620 O O   . HOH E 5 .   ? -9.488  -18.686 -30.155 1.00 42.59 ? 328 HOH B O   1 
HETATM 1621 O O   . HOH E 5 .   ? -17.645 -21.384 -12.423 1.00 18.29 ? 329 HOH B O   1 
HETATM 1622 O O   . HOH E 5 .   ? -32.964 -18.221 -37.247 1.00 31.80 ? 330 HOH B O   1 
HETATM 1623 O O   . HOH E 5 .   ? -49.778 -1.724  -19.400 1.00 25.26 ? 331 HOH B O   1 
HETATM 1624 O O   . HOH E 5 .   ? -8.999  -13.517 -25.219 1.00 30.44 ? 332 HOH B O   1 
HETATM 1625 O O   . HOH E 5 .   ? -16.787 -5.661  -9.243  1.00 30.59 ? 333 HOH B O   1 
HETATM 1626 O O   . HOH E 5 .   ? -30.882 -20.325 -21.362 1.00 12.11 ? 334 HOH B O   1 
HETATM 1627 O O   . HOH E 5 .   ? -43.009 -15.376 -10.048 1.00 22.59 ? 335 HOH B O   1 
HETATM 1628 O O   . HOH E 5 .   ? -45.199 -12.287 -26.584 1.00 29.02 ? 336 HOH B O   1 
HETATM 1629 O O   . HOH E 5 .   ? -18.521 -4.622  -24.653 1.00 17.00 ? 337 HOH B O   1 
HETATM 1630 O O   . HOH E 5 .   ? -23.362 4.371   -24.608 1.00 24.80 ? 338 HOH B O   1 
HETATM 1631 O O   . HOH E 5 .   ? -37.316 -25.638 -11.384 1.00 35.37 ? 339 HOH B O   1 
HETATM 1632 O O   . HOH E 5 .   ? -38.572 -7.624  -10.708 1.00 15.05 ? 340 HOH B O   1 
HETATM 1633 O O   . HOH E 5 .   ? -38.046 -14.403 -21.453 1.00 30.48 ? 341 HOH B O   1 
HETATM 1634 O O   . HOH E 5 .   ? -16.191 -19.718 -15.650 1.00 23.63 ? 342 HOH B O   1 
HETATM 1635 O O   . HOH E 5 .   ? -26.593 -25.766 -16.404 1.00 17.04 ? 343 HOH B O   1 
HETATM 1636 O O   . HOH E 5 .   ? -28.468 -21.681 -8.991  1.00 16.80 ? 344 HOH B O   1 
HETATM 1637 O O   . HOH E 5 .   ? -36.810 -26.040 -23.806 1.00 31.80 ? 345 HOH B O   1 
HETATM 1638 O O   . HOH E 5 .   ? -38.858 -2.469  -21.330 1.00 14.31 ? 346 HOH B O   1 
HETATM 1639 O O   . HOH E 5 .   ? -17.622 -27.660 -19.657 1.00 17.67 ? 347 HOH B O   1 
HETATM 1640 O O   . HOH E 5 .   ? -40.937 -9.345  -36.777 1.00 25.64 ? 348 HOH B O   1 
HETATM 1641 O O   . HOH E 5 .   ? -34.114 -21.970 -31.421 1.00 18.20 ? 349 HOH B O   1 
HETATM 1642 O O   . HOH E 5 .   ? -40.754 -14.484 -8.418  1.00 27.07 ? 350 HOH B O   1 
HETATM 1643 O O   . HOH E 5 .   ? -19.418 -4.337  -22.028 1.00 15.12 ? 351 HOH B O   1 
HETATM 1644 O O   . HOH E 5 .   ? -36.296 -1.784  -33.785 1.00 16.81 ? 352 HOH B O   1 
HETATM 1645 O O   . HOH E 5 .   ? -17.850 -19.872 -37.545 1.00 26.82 ? 353 HOH B O   1 
HETATM 1646 O O   . HOH E 5 .   ? -21.146 -6.037  -2.093  1.00 47.65 ? 354 HOH B O   1 
HETATM 1647 O O   . HOH E 5 .   ? -38.513 3.844   -42.195 1.00 24.01 ? 355 HOH B O   1 
HETATM 1648 O O   . HOH E 5 .   ? -13.535 -21.037 -35.231 1.00 28.29 ? 356 HOH B O   1 
HETATM 1649 O O   . HOH E 5 .   ? -30.253 -23.921 -34.064 1.00 22.28 ? 357 HOH B O   1 
HETATM 1650 O O   . HOH E 5 .   ? -41.848 1.504   -22.531 1.00 34.11 ? 358 HOH B O   1 
HETATM 1651 O O   . HOH E 5 .   ? -42.605 -5.755  -12.216 1.00 17.91 ? 359 HOH B O   1 
HETATM 1652 O O   . HOH E 5 .   ? -27.224 -20.382 -7.030  1.00 16.33 ? 360 HOH B O   1 
HETATM 1653 O O   . HOH E 5 .   ? -25.809 -14.272 -3.071  1.00 27.11 ? 361 HOH B O   1 
HETATM 1654 O O   . HOH E 5 .   ? -20.981 -16.457 -5.513  1.00 17.07 ? 362 HOH B O   1 
HETATM 1655 O O   . HOH E 5 .   ? -40.296 -14.324 -31.429 1.00 13.92 ? 363 HOH B O   1 
HETATM 1656 O O   . HOH E 5 .   ? -26.566 1.958   -10.934 1.00 26.40 ? 364 HOH B O   1 
HETATM 1657 O O   . HOH E 5 .   ? -33.489 -1.824  -38.403 1.00 26.02 ? 365 HOH B O   1 
HETATM 1658 O O   . HOH E 5 .   ? -19.247 -29.256 -23.510 1.00 23.35 ? 366 HOH B O   1 
HETATM 1659 O O   . HOH E 5 .   ? -42.275 -3.883  -39.467 1.00 20.19 ? 367 HOH B O   1 
HETATM 1660 O O   . HOH E 5 .   ? -27.822 -27.488 -25.825 1.00 27.64 ? 368 HOH B O   1 
HETATM 1661 O O   . HOH E 5 .   ? -26.801 -17.738 -7.751  1.00 15.30 ? 369 HOH B O   1 
HETATM 1662 O O   . HOH E 5 .   ? -10.344 -23.583 -21.800 1.00 28.20 ? 370 HOH B O   1 
HETATM 1663 O O   . HOH E 5 .   ? -19.790 1.831   -30.432 1.00 31.80 ? 371 HOH B O   1 
HETATM 1664 O O   . HOH E 5 .   ? -32.319 -4.992  -12.880 1.00 13.09 ? 372 HOH B O   1 
HETATM 1665 O O   . HOH E 5 .   ? -35.552 -17.101 -8.182  1.00 33.56 ? 373 HOH B O   1 
HETATM 1666 O O   . HOH E 5 .   ? -23.347 2.333   -22.950 1.00 27.49 ? 374 HOH B O   1 
HETATM 1667 O O   . HOH E 5 .   ? -41.716 -9.752  -43.797 1.00 29.21 ? 375 HOH B O   1 
HETATM 1668 O O   . HOH E 5 .   ? -23.890 1.204   -10.673 1.00 31.38 ? 376 HOH B O   1 
HETATM 1669 O O   . HOH E 5 .   ? -45.840 -14.631 -27.707 1.00 34.41 ? 377 HOH B O   1 
HETATM 1670 O O   . HOH E 5 .   ? -36.553 -0.986  -22.071 1.00 13.66 ? 378 HOH B O   1 
HETATM 1671 O O   . HOH E 5 .   ? -43.824 -0.574  -24.295 1.00 25.97 ? 379 HOH B O   1 
HETATM 1672 O O   . HOH E 5 .   ? -36.303 5.590   -15.890 1.00 25.46 ? 380 HOH B O   1 
HETATM 1673 O O   . HOH E 5 .   ? -37.094 0.812   -15.527 1.00 16.37 ? 381 HOH B O   1 
HETATM 1674 O O   . HOH E 5 .   ? -41.074 -5.990  -38.021 1.00 22.82 ? 382 HOH B O   1 
HETATM 1675 O O   . HOH E 5 .   ? -17.986 -4.405  -5.767  1.00 37.78 ? 383 HOH B O   1 
HETATM 1676 O O   . HOH E 5 .   ? -9.430  -20.780 -28.869 1.00 34.07 ? 384 HOH B O   1 
HETATM 1677 O O   . HOH E 5 .   ? -33.961 -21.810 -36.666 1.00 37.38 ? 385 HOH B O   1 
HETATM 1678 O O   . HOH E 5 .   ? -24.074 -12.425 -6.519  1.00 17.36 ? 386 HOH B O   1 
HETATM 1679 O O   . HOH E 5 .   ? -18.311 -17.296 -36.330 1.00 25.63 ? 387 HOH B O   1 
HETATM 1680 O O   . HOH E 5 .   ? -45.765 -19.626 -31.614 1.00 27.38 ? 388 HOH B O   1 
HETATM 1681 O O   . HOH E 5 .   ? -35.509 -4.561  -42.153 1.00 21.97 ? 389 HOH B O   1 
HETATM 1682 O O   . HOH E 5 .   ? -25.356 -10.458 -23.558 1.00 12.31 ? 390 HOH B O   1 
HETATM 1683 O O   . HOH E 5 .   ? -14.971 -19.834 -37.561 1.00 24.39 ? 391 HOH B O   1 
HETATM 1684 O O   . HOH E 5 .   ? -45.970 -4.272  -33.918 1.00 18.41 ? 392 HOH B O   1 
HETATM 1685 O O   . HOH E 5 .   ? -39.896 6.434   -26.196 1.00 40.02 ? 393 HOH B O   1 
HETATM 1686 O O   . HOH E 5 .   ? -33.436 -14.979 -6.992  1.00 20.82 ? 394 HOH B O   1 
HETATM 1687 O O   . HOH E 5 .   ? -23.752 -21.109 -38.854 1.00 22.42 ? 395 HOH B O   1 
HETATM 1688 O O   . HOH E 5 .   ? -12.698 -18.556 -34.744 1.00 36.22 ? 396 HOH B O   1 
HETATM 1689 O O   . HOH E 5 .   ? -24.889 -15.048 -6.818  1.00 15.20 ? 397 HOH B O   1 
HETATM 1690 O O   . HOH E 5 .   ? -31.513 3.434   -26.792 1.00 22.29 ? 398 HOH B O   1 
HETATM 1691 O O   . HOH E 5 .   ? -41.595 -8.503  -13.246 1.00 18.36 ? 399 HOH B O   1 
HETATM 1692 O O   . HOH E 5 .   ? -40.032 2.710   -16.077 1.00 16.36 ? 400 HOH B O   1 
HETATM 1693 O O   . HOH E 5 .   ? -28.837 7.874   -30.039 1.00 29.99 ? 401 HOH B O   1 
HETATM 1694 O O   . HOH E 5 .   ? -25.773 -26.969 -23.853 1.00 17.22 ? 402 HOH B O   1 
HETATM 1695 O O   . HOH E 5 .   ? -9.403  -15.929 -26.567 1.00 26.20 ? 403 HOH B O   1 
HETATM 1696 O O   . HOH E 5 .   ? -25.001 -11.119 -4.127  1.00 22.60 ? 404 HOH B O   1 
HETATM 1697 O O   . HOH E 5 .   ? -40.758 6.334   -33.122 1.00 28.58 ? 405 HOH B O   1 
HETATM 1698 O O   . HOH E 5 .   ? -13.276 -6.237  -29.142 1.00 29.77 ? 406 HOH B O   1 
HETATM 1699 O O   . HOH E 5 .   ? -31.040 4.061   -24.306 1.00 24.23 ? 407 HOH B O   1 
HETATM 1700 O O   . HOH E 5 .   ? -18.079 -16.111 -6.129  1.00 22.69 ? 408 HOH B O   1 
HETATM 1701 O O   . HOH E 5 .   ? -42.428 -4.977  -43.713 1.00 21.46 ? 409 HOH B O   1 
HETATM 1702 O O   . HOH E 5 .   ? -14.371 -16.482 -33.025 1.00 27.04 ? 410 HOH B O   1 
HETATM 1703 O O   . HOH E 5 .   ? -16.126 -14.758 -8.574  1.00 29.61 ? 411 HOH B O   1 
HETATM 1704 O O   . HOH E 5 .   ? -25.103 7.057   -28.922 1.00 29.01 ? 412 HOH B O   1 
HETATM 1705 O O   . HOH E 5 .   ? -17.922 -11.107 -35.606 1.00 25.40 ? 413 HOH B O   1 
HETATM 1706 O O   . HOH E 5 .   ? -41.328 5.361   -28.386 1.00 26.16 ? 414 HOH B O   1 
HETATM 1707 O O   . HOH E 5 .   ? -36.342 -0.166  -41.952 1.00 35.77 ? 415 HOH B O   1 
HETATM 1708 O O   . HOH E 5 .   ? -34.309 -7.280  -7.839  1.00 28.05 ? 416 HOH B O   1 
HETATM 1709 O O   . HOH E 5 .   ? -40.004 -11.754 -22.657 1.00 31.49 ? 417 HOH B O   1 
HETATM 1710 O O   . HOH E 5 .   ? -41.141 -8.744  -19.379 1.00 15.29 ? 418 HOH B O   1 
HETATM 1711 O O   . HOH E 5 .   ? -40.374 -7.418  -34.847 1.00 20.13 ? 419 HOH B O   1 
HETATM 1712 O O   . HOH E 5 .   ? -15.958 -12.265 -5.537  1.00 42.25 ? 420 HOH B O   1 
HETATM 1713 O O   . HOH E 5 .   ? -43.394 3.789   -18.789 1.00 20.33 ? 421 HOH B O   1 
HETATM 1714 O O   . HOH E 5 .   ? -38.729 3.955   -13.700 1.00 32.36 ? 422 HOH B O   1 
HETATM 1715 O O   . HOH E 5 .   ? -24.263 -4.212  -36.898 1.00 36.15 ? 423 HOH B O   1 
HETATM 1716 O O   . HOH E 5 .   ? -30.868 -17.454 -42.732 1.00 34.97 ? 424 HOH B O   1 
HETATM 1717 O O   . HOH E 5 .   ? -34.749 -9.209  -6.013  1.00 46.04 ? 425 HOH B O   1 
HETATM 1718 O O   . HOH E 5 .   ? -20.037 2.317   -23.978 1.00 36.23 ? 426 HOH B O   1 
HETATM 1719 O O   . HOH E 5 .   ? -47.149 -16.763 -31.978 1.00 25.45 ? 427 HOH B O   1 
HETATM 1720 O O   . HOH E 5 .   ? -16.136 -7.503  -11.302 1.00 26.62 ? 428 HOH B O   1 
HETATM 1721 O O   . HOH E 5 .   ? -33.577 -4.786  -6.152  1.00 39.94 ? 429 HOH B O   1 
HETATM 1722 O O   . HOH E 5 .   ? -47.787 0.000   -32.895 0.50 22.64 ? 430 HOH B O   1 
HETATM 1723 O O   . HOH E 5 .   ? -34.408 5.501   -18.023 1.00 36.94 ? 431 HOH B O   1 
HETATM 1724 O O   . HOH E 5 .   ? -32.715 -23.642 -33.272 1.00 34.95 ? 432 HOH B O   1 
HETATM 1725 O O   . HOH E 5 .   ? -8.487  -23.076 -30.274 1.00 28.36 ? 433 HOH B O   1 
HETATM 1726 O O   . HOH E 5 .   ? -21.696 6.910   -32.275 1.00 30.10 ? 434 HOH B O   1 
HETATM 1727 O O   . HOH E 5 .   ? -26.315 -28.133 -21.461 1.00 36.31 ? 435 HOH B O   1 
HETATM 1728 O O   . HOH E 5 .   ? -40.258 5.130   -22.071 1.00 29.13 ? 436 HOH B O   1 
HETATM 1729 O O   . HOH E 5 .   ? -22.849 3.377   -20.570 1.00 37.59 ? 437 HOH B O   1 
HETATM 1730 O O   . HOH E 5 .   ? -36.713 2.252   -43.190 1.00 37.18 ? 438 HOH B O   1 
HETATM 1731 O O   . HOH E 5 .   ? -38.817 -16.544 -40.936 1.00 34.41 ? 439 HOH B O   1 
HETATM 1732 O O   . HOH E 5 .   ? -15.962 -22.384 -14.521 1.00 27.71 ? 440 HOH B O   1 
HETATM 1733 O O   . HOH E 5 .   ? -28.405 -27.787 -16.896 1.00 23.52 ? 441 HOH B O   1 
HETATM 1734 O O   . HOH E 5 .   ? -26.405 -31.147 -23.959 1.00 26.43 ? 442 HOH B O   1 
HETATM 1735 O O   . HOH E 5 .   ? -16.144 -26.920 -17.256 1.00 33.66 ? 443 HOH B O   1 
HETATM 1736 O O   . HOH E 5 .   ? -42.291 -12.975 -22.389 1.00 29.46 ? 444 HOH B O   1 
# 
