data_7HNQ
# 
_entry.id   7HNQ 
# 
_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   7HNQ         pdb_00007hnq 10.2210/pdb7hnq/pdb 
WWPDB D_1001407704 ?            ?                   
# 
_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                        7HNQ 
_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    2   ?        ? ? ? 
3 non-polymer syn 'cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone' 248.296   1   ?        ? ? ? 
4 non-polymer syn '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'     238.305   1   ?        ? ? ? 
5 non-polymer syn 'SULFATE ION'                                             96.063    1   ?        ? ? ? 
6 water       nat water                                                     18.015    140 ?        ? ? ? 
# 
_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 'cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone' GX4 
4 '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'     EPE 
5 'SULFATE ION'                                             SO4 
6 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  
EPE non-polymer         . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID'     HEPES             'C8 H18 N2 O4 S' 238.305 
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  
GX4 non-polymer         . 'cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone' ?                 'C14 H17 F N2 O' 248.296 
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        GX4 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   GX4 
_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 GX4 1   202 401 GX4 LIG B . 
D 4 EPE 1   203 402 EPE EPE B . 
E 2 EDO 1   204 305 EDO EDO B . 
F 5 SO4 1   205 1   SO4 SO4 B . 
G 6 HOH 1   301 12  HOH HOH B . 
G 6 HOH 2   302 11  HOH HOH B . 
G 6 HOH 3   303 2   HOH HOH B . 
G 6 HOH 4   304 29  HOH HOH B . 
G 6 HOH 5   305 33  HOH HOH B . 
G 6 HOH 6   306 26  HOH HOH B . 
G 6 HOH 7   307 16  HOH HOH B . 
G 6 HOH 8   308 99  HOH HOH B . 
G 6 HOH 9   309 1   HOH HOH B . 
G 6 HOH 10  310 27  HOH HOH B . 
G 6 HOH 11  311 9   HOH HOH B . 
G 6 HOH 12  312 184 HOH HOH B . 
G 6 HOH 13  313 21  HOH HOH B . 
G 6 HOH 14  314 214 HOH HOH B . 
G 6 HOH 15  315 63  HOH HOH B . 
G 6 HOH 16  316 40  HOH HOH B . 
G 6 HOH 17  317 51  HOH HOH B . 
G 6 HOH 18  318 5   HOH HOH B . 
G 6 HOH 19  319 90  HOH HOH B . 
G 6 HOH 20  320 211 HOH HOH B . 
G 6 HOH 21  321 129 HOH HOH B . 
G 6 HOH 22  322 102 HOH HOH B . 
G 6 HOH 23  323 95  HOH HOH B . 
G 6 HOH 24  324 36  HOH HOH B . 
G 6 HOH 25  325 120 HOH HOH B . 
G 6 HOH 26  326 66  HOH HOH B . 
G 6 HOH 27  327 80  HOH HOH B . 
G 6 HOH 28  328 93  HOH HOH B . 
G 6 HOH 29  329 31  HOH HOH B . 
G 6 HOH 30  330 11  HOH HOH B . 
G 6 HOH 31  331 39  HOH HOH B . 
G 6 HOH 32  332 126 HOH HOH B . 
G 6 HOH 33  333 70  HOH HOH B . 
G 6 HOH 34  334 25  HOH HOH B . 
G 6 HOH 35  335 81  HOH HOH B . 
G 6 HOH 36  336 29  HOH HOH B . 
G 6 HOH 37  337 34  HOH HOH B . 
G 6 HOH 38  338 18  HOH HOH B . 
G 6 HOH 39  339 22  HOH HOH B . 
G 6 HOH 40  340 86  HOH HOH B . 
G 6 HOH 41  341 58  HOH HOH B . 
G 6 HOH 42  342 100 HOH HOH B . 
G 6 HOH 43  343 7   HOH HOH B . 
G 6 HOH 44  344 20  HOH HOH B . 
G 6 HOH 45  345 76  HOH HOH B . 
G 6 HOH 46  346 89  HOH HOH B . 
G 6 HOH 47  347 4   HOH HOH B . 
G 6 HOH 48  348 68  HOH HOH B . 
G 6 HOH 49  349 64  HOH HOH B . 
G 6 HOH 50  350 10  HOH HOH B . 
G 6 HOH 51  351 2   HOH HOH B . 
G 6 HOH 52  352 27  HOH HOH B . 
G 6 HOH 53  353 267 HOH HOH B . 
G 6 HOH 54  354 62  HOH HOH B . 
G 6 HOH 55  355 16  HOH HOH B . 
G 6 HOH 56  356 157 HOH HOH B . 
G 6 HOH 57  357 50  HOH HOH B . 
G 6 HOH 58  358 19  HOH HOH B . 
G 6 HOH 59  359 26  HOH HOH B . 
G 6 HOH 60  360 15  HOH HOH B . 
G 6 HOH 61  361 55  HOH HOH B . 
G 6 HOH 62  362 264 HOH HOH B . 
G 6 HOH 63  363 85  HOH HOH B . 
G 6 HOH 64  364 30  HOH HOH B . 
G 6 HOH 65  365 59  HOH HOH B . 
G 6 HOH 66  366 61  HOH HOH B . 
G 6 HOH 67  367 71  HOH HOH B . 
G 6 HOH 68  368 10  HOH HOH B . 
G 6 HOH 69  369 47  HOH HOH B . 
G 6 HOH 70  370 3   HOH HOH B . 
G 6 HOH 71  371 137 HOH HOH B . 
G 6 HOH 72  372 73  HOH HOH B . 
G 6 HOH 73  373 43  HOH HOH B . 
G 6 HOH 74  374 6   HOH HOH B . 
G 6 HOH 75  375 1   HOH HOH B . 
G 6 HOH 76  376 8   HOH HOH B . 
G 6 HOH 77  377 4   HOH HOH B . 
G 6 HOH 78  378 72  HOH HOH B . 
G 6 HOH 79  379 304 HOH HOH B . 
G 6 HOH 80  380 32  HOH HOH B . 
G 6 HOH 81  381 14  HOH HOH B . 
G 6 HOH 82  382 172 HOH HOH B . 
G 6 HOH 83  383 23  HOH HOH B . 
G 6 HOH 84  384 3   HOH HOH B . 
G 6 HOH 85  385 97  HOH HOH B . 
G 6 HOH 86  386 42  HOH HOH B . 
G 6 HOH 87  387 32  HOH HOH B . 
G 6 HOH 88  388 46  HOH HOH B . 
G 6 HOH 89  389 12  HOH HOH B . 
G 6 HOH 90  390 5   HOH HOH B . 
G 6 HOH 91  391 125 HOH HOH B . 
G 6 HOH 92  392 48  HOH HOH B . 
G 6 HOH 93  393 25  HOH HOH B . 
G 6 HOH 94  394 24  HOH HOH B . 
G 6 HOH 95  395 17  HOH HOH B . 
G 6 HOH 96  396 60  HOH HOH B . 
G 6 HOH 97  397 303 HOH HOH B . 
G 6 HOH 98  398 56  HOH HOH B . 
G 6 HOH 99  399 8   HOH HOH B . 
G 6 HOH 100 400 281 HOH HOH B . 
G 6 HOH 101 401 45  HOH HOH B . 
G 6 HOH 102 402 22  HOH HOH B . 
G 6 HOH 103 403 33  HOH HOH B . 
G 6 HOH 104 404 54  HOH HOH B . 
G 6 HOH 105 405 49  HOH HOH B . 
G 6 HOH 106 406 7   HOH HOH B . 
G 6 HOH 107 407 197 HOH HOH B . 
G 6 HOH 108 408 15  HOH HOH B . 
G 6 HOH 109 409 38  HOH HOH B . 
G 6 HOH 110 410 13  HOH HOH B . 
G 6 HOH 111 411 53  HOH HOH B . 
G 6 HOH 112 412 57  HOH HOH B . 
G 6 HOH 113 413 41  HOH HOH B . 
G 6 HOH 114 414 156 HOH HOH B . 
G 6 HOH 115 415 20  HOH HOH B . 
G 6 HOH 116 416 140 HOH HOH B . 
G 6 HOH 117 417 133 HOH HOH B . 
G 6 HOH 118 418 18  HOH HOH B . 
G 6 HOH 119 419 257 HOH HOH B . 
G 6 HOH 120 420 44  HOH HOH B . 
G 6 HOH 121 421 103 HOH HOH B . 
G 6 HOH 122 422 69  HOH HOH B . 
G 6 HOH 123 423 263 HOH HOH B . 
G 6 HOH 124 424 112 HOH HOH B . 
G 6 HOH 125 425 19  HOH HOH B . 
G 6 HOH 126 426 114 HOH HOH B . 
G 6 HOH 127 427 30  HOH HOH B . 
G 6 HOH 128 428 266 HOH HOH B . 
G 6 HOH 129 429 115 HOH HOH B . 
G 6 HOH 130 430 13  HOH HOH B . 
G 6 HOH 131 431 21  HOH HOH B . 
G 6 HOH 132 432 23  HOH HOH B . 
G 6 HOH 133 433 31  HOH HOH B . 
G 6 HOH 134 434 104 HOH HOH B . 
G 6 HOH 135 435 205 HOH HOH B . 
G 6 HOH 136 436 259 HOH HOH B . 
G 6 HOH 137 437 127 HOH HOH B . 
G 6 HOH 138 438 14  HOH HOH B . 
G 6 HOH 139 439 131 HOH HOH B . 
G 6 HOH 140 440 270 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           7HNQ 
_cell.length_a           95.389 
_cell.length_b           95.389 
_cell.length_c           45.741 
_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                         7HNQ 
_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          7HNQ 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.94 
_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                     7HNQ 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             41.240 
_reflns.d_resolution_high            1.370 
_reflns.number_obs                   43189 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         99.700 
_reflns.pdbx_Rmerge_I_obs            0.110 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        13.700 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              12.200 
_reflns.pdbx_Rrim_I_all              0.115 
_reflns.pdbx_Rpim_I_all              0.032 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     528335 
_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 1.370 1.390  ? 15331 2076 ? 2.401 ? ? ? 7.400  ? 0.500  ? ? ? ? ? ? 97.300 2.585 0.936 0.338 
1 2 7.500 41.240 ? 3483  289  ? 0.055 ? ? ? 12.100 ? 80.800 ? ? ? ? ? ? 99.500 0.058 0.017 0.996 
# 
_refine.entry_id                                 7HNQ 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3700 
_refine.ls_d_res_low                             41.2800 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.5600 
_refine.ls_number_reflns_obs                     41055 
_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                          0.1801 
_refine.ls_R_factor_R_work                       0.1792 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1964 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2100 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               19.1470 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            -0.0100 
_refine.aniso_B[2][2]                            -0.0100 
_refine.aniso_B[3][3]                            0.0300 
_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               0.9680 
_refine.correlation_coeff_Fo_to_Fc_free          0.9640 
_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                       0.0610 
_refine.pdbx_overall_ESU_R_Free                  0.0600 
_refine.overall_SU_ML                            0.0530 
_refine.overall_SU_B                             1.4650 
_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                                95.750 
_refine.B_iso_min                                9.980 
_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                       1.3700 
_refine_hist.d_res_low                        41.2800 
_refine_hist.pdbx_number_atoms_ligand         46 
_refine_hist.number_atoms_solvent             140 
_refine_hist.number_atoms_total               1679 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           43.38 
_refine_hist.pdbx_B_iso_mean_solvent          29.53 
_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       2100 0.011  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1670 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2607 1.750  1.644  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3868 1.421  1.577  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  7.153  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 112  28.213 21.250 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 291  12.733 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   20.691 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         222  0.086  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2300 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     506  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            975  1.522  1.672  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.520  1.642  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.425  2.464  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3700 
_refine_ls_shell.d_res_low                        1.4060 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               96.5000 
_refine_ls_shell.number_reflns_R_work             2919 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3470 
_refine_ls_shell.R_factor_R_free                  0.3230 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             141 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3060 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNQ 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z30620520' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNQ 
_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 2 ? 
F N N 5 ? 
G N N 6 ? 
# 
_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              7HNQ 
_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 7HNQ MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNQ HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNQ HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNQ HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNQ HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNQ HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNQ HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNQ 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,F,G 
# 
_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 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 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       -1.24 
# 
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                   7HNQ 
_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_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    C4 
_pdbx_validate_symm_contact.auth_asym_id_1    B 
_pdbx_validate_symm_contact.auth_comp_id_1    GX4 
_pdbx_validate_symm_contact.auth_seq_id_1     202 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    B 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     311 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   7_455 
_pdbx_validate_symm_contact.dist              2.05 
# 
_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                124.85 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            13.05 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 70.64   35.31 
2 1 ASP B 152 ? ? -103.38 48.83 
# 
_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     426 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   G 
_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  
EPE N1   N N N 98  
EPE C2   C N N 99  
EPE C3   C N N 100 
EPE N4   N N N 101 
EPE C5   C N N 102 
EPE C6   C N N 103 
EPE C7   C N N 104 
EPE C8   C N N 105 
EPE O8   O N N 106 
EPE C9   C N N 107 
EPE C10  C N N 108 
EPE S    S N N 109 
EPE O1S  O N N 110 
EPE O2S  O N N 111 
EPE O3S  O N N 112 
EPE H21  H N N 113 
EPE H22  H N N 114 
EPE H31  H N N 115 
EPE H32  H N N 116 
EPE H51  H N N 117 
EPE H52  H N N 118 
EPE H61  H N N 119 
EPE H62  H N N 120 
EPE H71  H N N 121 
EPE H72  H N N 122 
EPE H81  H N N 123 
EPE H82  H N N 124 
EPE HO8  H N N 125 
EPE H91  H N N 126 
EPE H92  H N N 127 
EPE H101 H N N 128 
EPE H102 H N N 129 
EPE HOS3 H N N 130 
GLN N    N N N 131 
GLN CA   C N S 132 
GLN C    C N N 133 
GLN O    O N N 134 
GLN CB   C N N 135 
GLN CG   C N N 136 
GLN CD   C N N 137 
GLN OE1  O N N 138 
GLN NE2  N N N 139 
GLN OXT  O N N 140 
GLN H    H N N 141 
GLN H2   H N N 142 
GLN HA   H N N 143 
GLN HB2  H N N 144 
GLN HB3  H N N 145 
GLN HG2  H N N 146 
GLN HG3  H N N 147 
GLN HE21 H N N 148 
GLN HE22 H N N 149 
GLN HXT  H N N 150 
GLU N    N N N 151 
GLU CA   C N S 152 
GLU C    C N N 153 
GLU O    O N N 154 
GLU CB   C N N 155 
GLU CG   C N N 156 
GLU CD   C N N 157 
GLU OE1  O N N 158 
GLU OE2  O N N 159 
GLU OXT  O N N 160 
GLU H    H N N 161 
GLU H2   H N N 162 
GLU HA   H N N 163 
GLU HB2  H N N 164 
GLU HB3  H N N 165 
GLU HG2  H N N 166 
GLU HG3  H N N 167 
GLU HE2  H N N 168 
GLU HXT  H N N 169 
GLY N    N N N 170 
GLY CA   C N N 171 
GLY C    C N N 172 
GLY O    O N N 173 
GLY OXT  O N N 174 
GLY H    H N N 175 
GLY H2   H N N 176 
GLY HA2  H N N 177 
GLY HA3  H N N 178 
GLY HXT  H N N 179 
GX4 N1   N N N 180 
GX4 C4   C Y N 181 
GX4 C5   C Y N 182 
GX4 C6   C N N 183 
GX4 C7   C N N 184 
GX4 C8   C N N 185 
GX4 C10  C N N 186 
GX4 C13  C N N 187 
GX4 O    O N N 188 
GX4 C11  C N N 189 
GX4 C12  C N N 190 
GX4 C9   C N N 191 
GX4 N    N N N 192 
GX4 C3   C Y N 193 
GX4 C2   C Y N 194 
GX4 C1   C Y N 195 
GX4 C    C Y N 196 
GX4 F    F N N 197 
GX4 H1   H N N 198 
GX4 H2   H N N 199 
GX4 H3   H N N 200 
GX4 H4   H N N 201 
GX4 H5   H N N 202 
GX4 H6   H N N 203 
GX4 H7   H N N 204 
GX4 H8   H N N 205 
GX4 H9   H N N 206 
GX4 H10  H N N 207 
GX4 H11  H N N 208 
GX4 H12  H N N 209 
GX4 H13  H N N 210 
GX4 H14  H N N 211 
GX4 H15  H N N 212 
GX4 H16  H N N 213 
GX4 H17  H N N 214 
HIS N    N N N 215 
HIS CA   C N S 216 
HIS C    C N N 217 
HIS O    O N N 218 
HIS CB   C N N 219 
HIS CG   C Y N 220 
HIS ND1  N Y N 221 
HIS CD2  C Y N 222 
HIS CE1  C Y N 223 
HIS NE2  N Y N 224 
HIS OXT  O N N 225 
HIS H    H N N 226 
HIS H2   H N N 227 
HIS HA   H N N 228 
HIS HB2  H N N 229 
HIS HB3  H N N 230 
HIS HD1  H N N 231 
HIS HD2  H N N 232 
HIS HE1  H N N 233 
HIS HE2  H N N 234 
HIS HXT  H N N 235 
HOH O    O N N 236 
HOH H1   H N N 237 
HOH H2   H N N 238 
ILE N    N N N 239 
ILE CA   C N S 240 
ILE C    C N N 241 
ILE O    O N N 242 
ILE CB   C N S 243 
ILE CG1  C N N 244 
ILE CG2  C N N 245 
ILE CD1  C N N 246 
ILE OXT  O N N 247 
ILE H    H N N 248 
ILE H2   H N N 249 
ILE HA   H N N 250 
ILE HB   H N N 251 
ILE HG12 H N N 252 
ILE HG13 H N N 253 
ILE HG21 H N N 254 
ILE HG22 H N N 255 
ILE HG23 H N N 256 
ILE HD11 H N N 257 
ILE HD12 H N N 258 
ILE HD13 H N N 259 
ILE HXT  H N N 260 
LEU N    N N N 261 
LEU CA   C N S 262 
LEU C    C N N 263 
LEU O    O N N 264 
LEU CB   C N N 265 
LEU CG   C N N 266 
LEU CD1  C N N 267 
LEU CD2  C N N 268 
LEU OXT  O N N 269 
LEU H    H N N 270 
LEU H2   H N N 271 
LEU HA   H N N 272 
LEU HB2  H N N 273 
LEU HB3  H N N 274 
LEU HG   H N N 275 
LEU HD11 H N N 276 
LEU HD12 H N N 277 
LEU HD13 H N N 278 
LEU HD21 H N N 279 
LEU HD22 H N N 280 
LEU HD23 H N N 281 
LEU HXT  H N N 282 
LYS N    N N N 283 
LYS CA   C N S 284 
LYS C    C N N 285 
LYS O    O N N 286 
LYS CB   C N N 287 
LYS CG   C N N 288 
LYS CD   C N N 289 
LYS CE   C N N 290 
LYS NZ   N N N 291 
LYS OXT  O N N 292 
LYS H    H N N 293 
LYS H2   H N N 294 
LYS HA   H N N 295 
LYS HB2  H N N 296 
LYS HB3  H N N 297 
LYS HG2  H N N 298 
LYS HG3  H N N 299 
LYS HD2  H N N 300 
LYS HD3  H N N 301 
LYS HE2  H N N 302 
LYS HE3  H N N 303 
LYS HZ1  H N N 304 
LYS HZ2  H N N 305 
LYS HZ3  H N N 306 
LYS HXT  H N N 307 
MET N    N N N 308 
MET CA   C N S 309 
MET C    C N N 310 
MET O    O N N 311 
MET CB   C N N 312 
MET CG   C N N 313 
MET SD   S N N 314 
MET CE   C N N 315 
MET OXT  O N N 316 
MET H    H N N 317 
MET H2   H N N 318 
MET HA   H N N 319 
MET HB2  H N N 320 
MET HB3  H N N 321 
MET HG2  H N N 322 
MET HG3  H N N 323 
MET HE1  H N N 324 
MET HE2  H N N 325 
MET HE3  H N N 326 
MET HXT  H N N 327 
PHE N    N N N 328 
PHE CA   C N S 329 
PHE C    C N N 330 
PHE O    O N N 331 
PHE CB   C N N 332 
PHE CG   C Y N 333 
PHE CD1  C Y N 334 
PHE CD2  C Y N 335 
PHE CE1  C Y N 336 
PHE CE2  C Y N 337 
PHE CZ   C Y N 338 
PHE OXT  O N N 339 
PHE H    H N N 340 
PHE H2   H N N 341 
PHE HA   H N N 342 
PHE HB2  H N N 343 
PHE HB3  H N N 344 
PHE HD1  H N N 345 
PHE HD2  H N N 346 
PHE HE1  H N N 347 
PHE HE2  H N N 348 
PHE HZ   H N N 349 
PHE HXT  H N N 350 
PRO N    N N N 351 
PRO CA   C N S 352 
PRO C    C N N 353 
PRO O    O N N 354 
PRO CB   C N N 355 
PRO CG   C N N 356 
PRO CD   C N N 357 
PRO OXT  O N N 358 
PRO H    H N N 359 
PRO HA   H N N 360 
PRO HB2  H N N 361 
PRO HB3  H N N 362 
PRO HG2  H N N 363 
PRO HG3  H N N 364 
PRO HD2  H N N 365 
PRO HD3  H N N 366 
PRO HXT  H N N 367 
SER N    N N N 368 
SER CA   C N S 369 
SER C    C N N 370 
SER O    O N N 371 
SER CB   C N N 372 
SER OG   O N N 373 
SER OXT  O N N 374 
SER H    H N N 375 
SER H2   H N N 376 
SER HA   H N N 377 
SER HB2  H N N 378 
SER HB3  H N N 379 
SER HG   H N N 380 
SER HXT  H N N 381 
SO4 S    S N N 382 
SO4 O1   O N N 383 
SO4 O2   O N N 384 
SO4 O3   O N N 385 
SO4 O4   O N N 386 
THR N    N N N 387 
THR CA   C N S 388 
THR C    C N N 389 
THR O    O N N 390 
THR CB   C N R 391 
THR OG1  O N N 392 
THR CG2  C N N 393 
THR OXT  O N N 394 
THR H    H N N 395 
THR H2   H N N 396 
THR HA   H N N 397 
THR HB   H N N 398 
THR HG1  H N N 399 
THR HG21 H N N 400 
THR HG22 H N N 401 
THR HG23 H N N 402 
THR HXT  H N N 403 
TRP N    N N N 404 
TRP CA   C N S 405 
TRP C    C N N 406 
TRP O    O N N 407 
TRP CB   C N N 408 
TRP CG   C Y N 409 
TRP CD1  C Y N 410 
TRP CD2  C Y N 411 
TRP NE1  N Y N 412 
TRP CE2  C Y N 413 
TRP CE3  C Y N 414 
TRP CZ2  C Y N 415 
TRP CZ3  C Y N 416 
TRP CH2  C Y N 417 
TRP OXT  O N N 418 
TRP H    H N N 419 
TRP H2   H N N 420 
TRP HA   H N N 421 
TRP HB2  H N N 422 
TRP HB3  H N N 423 
TRP HD1  H N N 424 
TRP HE1  H N N 425 
TRP HE3  H N N 426 
TRP HZ2  H N N 427 
TRP HZ3  H N N 428 
TRP HH2  H N N 429 
TRP HXT  H N N 430 
TYR N    N N N 431 
TYR CA   C N S 432 
TYR C    C N N 433 
TYR O    O N N 434 
TYR CB   C N N 435 
TYR CG   C Y N 436 
TYR CD1  C Y N 437 
TYR CD2  C Y N 438 
TYR CE1  C Y N 439 
TYR CE2  C Y N 440 
TYR CZ   C Y N 441 
TYR OH   O N N 442 
TYR OXT  O N N 443 
TYR H    H N N 444 
TYR H2   H N N 445 
TYR HA   H N N 446 
TYR HB2  H N N 447 
TYR HB3  H N N 448 
TYR HD1  H N N 449 
TYR HD2  H N N 450 
TYR HE1  H N N 451 
TYR HE2  H N N 452 
TYR HH   H N N 453 
TYR HXT  H N N 454 
VAL N    N N N 455 
VAL CA   C N S 456 
VAL C    C N N 457 
VAL O    O N N 458 
VAL CB   C N N 459 
VAL CG1  C N N 460 
VAL CG2  C N N 461 
VAL OXT  O N N 462 
VAL H    H N N 463 
VAL H2   H N N 464 
VAL HA   H N N 465 
VAL HB   H N N 466 
VAL HG11 H N N 467 
VAL HG12 H N N 468 
VAL HG13 H N N 469 
VAL HG21 H N N 470 
VAL HG22 H N N 471 
VAL HG23 H N N 472 
VAL HXT  H N N 473 
# 
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  
EPE N1  C2   sing N N 92  
EPE N1  C6   sing N N 93  
EPE N1  C9   sing N N 94  
EPE C2  C3   sing N N 95  
EPE C2  H21  sing N N 96  
EPE C2  H22  sing N N 97  
EPE C3  N4   sing N N 98  
EPE C3  H31  sing N N 99  
EPE C3  H32  sing N N 100 
EPE N4  C5   sing N N 101 
EPE N4  C7   sing N N 102 
EPE C5  C6   sing N N 103 
EPE C5  H51  sing N N 104 
EPE C5  H52  sing N N 105 
EPE C6  H61  sing N N 106 
EPE C6  H62  sing N N 107 
EPE C7  C8   sing N N 108 
EPE C7  H71  sing N N 109 
EPE C7  H72  sing N N 110 
EPE C8  O8   sing N N 111 
EPE C8  H81  sing N N 112 
EPE C8  H82  sing N N 113 
EPE O8  HO8  sing N N 114 
EPE C9  C10  sing N N 115 
EPE C9  H91  sing N N 116 
EPE C9  H92  sing N N 117 
EPE C10 S    sing N N 118 
EPE C10 H101 sing N N 119 
EPE C10 H102 sing N N 120 
EPE S   O1S  doub N N 121 
EPE S   O2S  doub N N 122 
EPE S   O3S  sing N N 123 
EPE O3S HOS3 sing N N 124 
GLN N   CA   sing N N 125 
GLN N   H    sing N N 126 
GLN N   H2   sing N N 127 
GLN CA  C    sing N N 128 
GLN CA  CB   sing N N 129 
GLN CA  HA   sing N N 130 
GLN C   O    doub N N 131 
GLN C   OXT  sing N N 132 
GLN CB  CG   sing N N 133 
GLN CB  HB2  sing N N 134 
GLN CB  HB3  sing N N 135 
GLN CG  CD   sing N N 136 
GLN CG  HG2  sing N N 137 
GLN CG  HG3  sing N N 138 
GLN CD  OE1  doub N N 139 
GLN CD  NE2  sing N N 140 
GLN NE2 HE21 sing N N 141 
GLN NE2 HE22 sing N N 142 
GLN OXT HXT  sing N N 143 
GLU N   CA   sing N N 144 
GLU N   H    sing N N 145 
GLU N   H2   sing N N 146 
GLU CA  C    sing N N 147 
GLU CA  CB   sing N N 148 
GLU CA  HA   sing N N 149 
GLU C   O    doub N N 150 
GLU C   OXT  sing N N 151 
GLU CB  CG   sing N N 152 
GLU CB  HB2  sing N N 153 
GLU CB  HB3  sing N N 154 
GLU CG  CD   sing N N 155 
GLU CG  HG2  sing N N 156 
GLU CG  HG3  sing N N 157 
GLU CD  OE1  doub N N 158 
GLU CD  OE2  sing N N 159 
GLU OE2 HE2  sing N N 160 
GLU OXT HXT  sing N N 161 
GLY N   CA   sing N N 162 
GLY N   H    sing N N 163 
GLY N   H2   sing N N 164 
GLY CA  C    sing N N 165 
GLY CA  HA2  sing N N 166 
GLY CA  HA3  sing N N 167 
GLY C   O    doub N N 168 
GLY C   OXT  sing N N 169 
GLY OXT HXT  sing N N 170 
GX4 C1  C2   doub Y N 171 
GX4 C1  C    sing Y N 172 
GX4 C2  C3   sing Y N 173 
GX4 F   C    sing N N 174 
GX4 C   C5   doub Y N 175 
GX4 C6  C7   sing N N 176 
GX4 C6  N    sing N N 177 
GX4 C3  N    sing N N 178 
GX4 C3  C4   doub Y N 179 
GX4 C7  N1   sing N N 180 
GX4 C5  C4   sing Y N 181 
GX4 N   C9   sing N N 182 
GX4 O   C10  doub N N 183 
GX4 N1  C10  sing N N 184 
GX4 N1  C8   sing N N 185 
GX4 C9  C8   sing N N 186 
GX4 C10 C11  sing N N 187 
GX4 C11 C13  sing N N 188 
GX4 C11 C12  sing N N 189 
GX4 C13 C12  sing N N 190 
GX4 C4  H1   sing N N 191 
GX4 C5  H2   sing N N 192 
GX4 C6  H3   sing N N 193 
GX4 C6  H4   sing N N 194 
GX4 C7  H5   sing N N 195 
GX4 C7  H6   sing N N 196 
GX4 C8  H7   sing N N 197 
GX4 C8  H8   sing N N 198 
GX4 C13 H9   sing N N 199 
GX4 C13 H10  sing N N 200 
GX4 C11 H11  sing N N 201 
GX4 C12 H12  sing N N 202 
GX4 C12 H13  sing N N 203 
GX4 C9  H14  sing N N 204 
GX4 C9  H15  sing N N 205 
GX4 C2  H16  sing N N 206 
GX4 C1  H17  sing N N 207 
HIS N   CA   sing N N 208 
HIS N   H    sing N N 209 
HIS N   H2   sing N N 210 
HIS CA  C    sing N N 211 
HIS CA  CB   sing N N 212 
HIS CA  HA   sing N N 213 
HIS C   O    doub N N 214 
HIS C   OXT  sing N N 215 
HIS CB  CG   sing N N 216 
HIS CB  HB2  sing N N 217 
HIS CB  HB3  sing N N 218 
HIS CG  ND1  sing Y N 219 
HIS CG  CD2  doub Y N 220 
HIS ND1 CE1  doub Y N 221 
HIS ND1 HD1  sing N N 222 
HIS CD2 NE2  sing Y N 223 
HIS CD2 HD2  sing N N 224 
HIS CE1 NE2  sing Y N 225 
HIS CE1 HE1  sing N N 226 
HIS NE2 HE2  sing N N 227 
HIS OXT HXT  sing N N 228 
HOH O   H1   sing N N 229 
HOH O   H2   sing N N 230 
ILE N   CA   sing N N 231 
ILE N   H    sing N N 232 
ILE N   H2   sing N N 233 
ILE CA  C    sing N N 234 
ILE CA  CB   sing N N 235 
ILE CA  HA   sing N N 236 
ILE C   O    doub N N 237 
ILE C   OXT  sing N N 238 
ILE CB  CG1  sing N N 239 
ILE CB  CG2  sing N N 240 
ILE CB  HB   sing N N 241 
ILE CG1 CD1  sing N N 242 
ILE CG1 HG12 sing N N 243 
ILE CG1 HG13 sing N N 244 
ILE CG2 HG21 sing N N 245 
ILE CG2 HG22 sing N N 246 
ILE CG2 HG23 sing N N 247 
ILE CD1 HD11 sing N N 248 
ILE CD1 HD12 sing N N 249 
ILE CD1 HD13 sing N N 250 
ILE OXT HXT  sing N N 251 
LEU N   CA   sing N N 252 
LEU N   H    sing N N 253 
LEU N   H2   sing N N 254 
LEU CA  C    sing N N 255 
LEU CA  CB   sing N N 256 
LEU CA  HA   sing N N 257 
LEU C   O    doub N N 258 
LEU C   OXT  sing N N 259 
LEU CB  CG   sing N N 260 
LEU CB  HB2  sing N N 261 
LEU CB  HB3  sing N N 262 
LEU CG  CD1  sing N N 263 
LEU CG  CD2  sing N N 264 
LEU CG  HG   sing N N 265 
LEU CD1 HD11 sing N N 266 
LEU CD1 HD12 sing N N 267 
LEU CD1 HD13 sing N N 268 
LEU CD2 HD21 sing N N 269 
LEU CD2 HD22 sing N N 270 
LEU CD2 HD23 sing N N 271 
LEU OXT HXT  sing N N 272 
LYS N   CA   sing N N 273 
LYS N   H    sing N N 274 
LYS N   H2   sing N N 275 
LYS CA  C    sing N N 276 
LYS CA  CB   sing N N 277 
LYS CA  HA   sing N N 278 
LYS C   O    doub N N 279 
LYS C   OXT  sing N N 280 
LYS CB  CG   sing N N 281 
LYS CB  HB2  sing N N 282 
LYS CB  HB3  sing N N 283 
LYS CG  CD   sing N N 284 
LYS CG  HG2  sing N N 285 
LYS CG  HG3  sing N N 286 
LYS CD  CE   sing N N 287 
LYS CD  HD2  sing N N 288 
LYS CD  HD3  sing N N 289 
LYS CE  NZ   sing N N 290 
LYS CE  HE2  sing N N 291 
LYS CE  HE3  sing N N 292 
LYS NZ  HZ1  sing N N 293 
LYS NZ  HZ2  sing N N 294 
LYS NZ  HZ3  sing N N 295 
LYS OXT HXT  sing N N 296 
MET N   CA   sing N N 297 
MET N   H    sing N N 298 
MET N   H2   sing N N 299 
MET CA  C    sing N N 300 
MET CA  CB   sing N N 301 
MET CA  HA   sing N N 302 
MET C   O    doub N N 303 
MET C   OXT  sing N N 304 
MET CB  CG   sing N N 305 
MET CB  HB2  sing N N 306 
MET CB  HB3  sing N N 307 
MET CG  SD   sing N N 308 
MET CG  HG2  sing N N 309 
MET CG  HG3  sing N N 310 
MET SD  CE   sing N N 311 
MET CE  HE1  sing N N 312 
MET CE  HE2  sing N N 313 
MET CE  HE3  sing N N 314 
MET OXT HXT  sing N N 315 
PHE N   CA   sing N N 316 
PHE N   H    sing N N 317 
PHE N   H2   sing N N 318 
PHE CA  C    sing N N 319 
PHE CA  CB   sing N N 320 
PHE CA  HA   sing N N 321 
PHE C   O    doub N N 322 
PHE C   OXT  sing N N 323 
PHE CB  CG   sing N N 324 
PHE CB  HB2  sing N N 325 
PHE CB  HB3  sing N N 326 
PHE CG  CD1  doub Y N 327 
PHE CG  CD2  sing Y N 328 
PHE CD1 CE1  sing Y N 329 
PHE CD1 HD1  sing N N 330 
PHE CD2 CE2  doub Y N 331 
PHE CD2 HD2  sing N N 332 
PHE CE1 CZ   doub Y N 333 
PHE CE1 HE1  sing N N 334 
PHE CE2 CZ   sing Y N 335 
PHE CE2 HE2  sing N N 336 
PHE CZ  HZ   sing N N 337 
PHE OXT HXT  sing N N 338 
PRO N   CA   sing N N 339 
PRO N   CD   sing N N 340 
PRO N   H    sing N N 341 
PRO CA  C    sing N N 342 
PRO CA  CB   sing N N 343 
PRO CA  HA   sing N N 344 
PRO C   O    doub N N 345 
PRO C   OXT  sing N N 346 
PRO CB  CG   sing N N 347 
PRO CB  HB2  sing N N 348 
PRO CB  HB3  sing N N 349 
PRO CG  CD   sing N N 350 
PRO CG  HG2  sing N N 351 
PRO CG  HG3  sing N N 352 
PRO CD  HD2  sing N N 353 
PRO CD  HD3  sing N N 354 
PRO OXT HXT  sing N N 355 
SER N   CA   sing N N 356 
SER N   H    sing N N 357 
SER N   H2   sing N N 358 
SER CA  C    sing N N 359 
SER CA  CB   sing N N 360 
SER CA  HA   sing N N 361 
SER C   O    doub N N 362 
SER C   OXT  sing N N 363 
SER CB  OG   sing N N 364 
SER CB  HB2  sing N N 365 
SER CB  HB3  sing N N 366 
SER OG  HG   sing N N 367 
SER OXT HXT  sing N N 368 
SO4 S   O1   doub N N 369 
SO4 S   O2   doub N N 370 
SO4 S   O3   sing N N 371 
SO4 S   O4   sing N N 372 
THR N   CA   sing N N 373 
THR N   H    sing N N 374 
THR N   H2   sing N N 375 
THR CA  C    sing N N 376 
THR CA  CB   sing N N 377 
THR CA  HA   sing N N 378 
THR C   O    doub N N 379 
THR C   OXT  sing N N 380 
THR CB  OG1  sing N N 381 
THR CB  CG2  sing N N 382 
THR CB  HB   sing N N 383 
THR OG1 HG1  sing N N 384 
THR CG2 HG21 sing N N 385 
THR CG2 HG22 sing N N 386 
THR CG2 HG23 sing N N 387 
THR OXT HXT  sing N N 388 
TRP N   CA   sing N N 389 
TRP N   H    sing N N 390 
TRP N   H2   sing N N 391 
TRP CA  C    sing N N 392 
TRP CA  CB   sing N N 393 
TRP CA  HA   sing N N 394 
TRP C   O    doub N N 395 
TRP C   OXT  sing N N 396 
TRP CB  CG   sing N N 397 
TRP CB  HB2  sing N N 398 
TRP CB  HB3  sing N N 399 
TRP CG  CD1  doub Y N 400 
TRP CG  CD2  sing Y N 401 
TRP CD1 NE1  sing Y N 402 
TRP CD1 HD1  sing N N 403 
TRP CD2 CE2  doub Y N 404 
TRP CD2 CE3  sing Y N 405 
TRP NE1 CE2  sing Y N 406 
TRP NE1 HE1  sing N N 407 
TRP CE2 CZ2  sing Y N 408 
TRP CE3 CZ3  doub Y N 409 
TRP CE3 HE3  sing N N 410 
TRP CZ2 CH2  doub Y N 411 
TRP CZ2 HZ2  sing N N 412 
TRP CZ3 CH2  sing Y N 413 
TRP CZ3 HZ3  sing N N 414 
TRP CH2 HH2  sing N N 415 
TRP OXT HXT  sing N N 416 
TYR N   CA   sing N N 417 
TYR N   H    sing N N 418 
TYR N   H2   sing N N 419 
TYR CA  C    sing N N 420 
TYR CA  CB   sing N N 421 
TYR CA  HA   sing N N 422 
TYR C   O    doub N N 423 
TYR C   OXT  sing N N 424 
TYR CB  CG   sing N N 425 
TYR CB  HB2  sing N N 426 
TYR CB  HB3  sing N N 427 
TYR CG  CD1  doub Y N 428 
TYR CG  CD2  sing Y N 429 
TYR CD1 CE1  sing Y N 430 
TYR CD1 HD1  sing N N 431 
TYR CD2 CE2  doub Y N 432 
TYR CD2 HD2  sing N N 433 
TYR CE1 CZ   doub Y N 434 
TYR CE1 HE1  sing N N 435 
TYR CE2 CZ   sing Y N 436 
TYR CE2 HE2  sing N N 437 
TYR CZ  OH   sing N N 438 
TYR OH  HH   sing N N 439 
TYR OXT HXT  sing N N 440 
VAL N   CA   sing N N 441 
VAL N   H    sing N N 442 
VAL N   H2   sing N N 443 
VAL CA  C    sing N N 444 
VAL CA  CB   sing N N 445 
VAL CA  HA   sing N N 446 
VAL C   O    doub N N 447 
VAL C   OXT  sing N N 448 
VAL CB  CG1  sing N N 449 
VAL CB  CG2  sing N N 450 
VAL CB  HB   sing N N 451 
VAL CG1 HG11 sing N N 452 
VAL CG1 HG12 sing N N 453 
VAL CG1 HG13 sing N N 454 
VAL CG2 HG21 sing N N 455 
VAL CG2 HG22 sing N N 456 
VAL CG2 HG23 sing N N 457 
VAL OXT HXT  sing N N 458 
# 
_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                    7HNQ 
_atom_sites.fract_transf_matrix[1][1]   0.010483 
_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]   0.010483 
_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]   0.021862 
_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 
F 
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   ? -13.144 -12.994 -9.822  1.00 82.52 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.763 -13.509 -11.179 1.00 76.45 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.702 -12.592 -11.804 1.00 78.80 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.711 -11.369 -11.508 1.00 82.83 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -14.006 -13.668 -12.080 1.00 67.07 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.543 -12.395 -12.659 1.00 60.20 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -14.006 -11.812 -13.793 1.00 59.82 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.580 -11.608 -12.296 1.00 55.20 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.669 -10.709 -14.083 1.00 57.35 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.645 -10.564 -13.188 1.00 51.37 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.850 -13.162 -12.662 1.00 73.36 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.760  -12.464 -13.397 1.00 72.53 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -9.978  -12.618 -14.912 1.00 63.09 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -8.986  -12.892 -15.619 1.00 61.08 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.404  -12.993 -12.896 1.00 80.23 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.243  -12.891 -11.410 1.00 91.01 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.048  -11.678 -10.763 1.00 91.32 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.258  -13.834 -10.440 1.00 95.75 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.943  -11.883 -9.465  1.00 93.11 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.066  -13.198 -9.241  1.00 95.44 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.226 -12.420 -15.379 1.00 51.31 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.698 -12.632 -16.782 1.00 42.29 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.676 -11.319 -17.575 1.00 40.22 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.766 -11.387 -18.822 1.00 34.66 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.115 -13.238 -16.804 1.00 37.55 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.191 -14.622 -16.251 1.00 37.13 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.278 -15.626 -16.595 1.00 35.68 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.070 -15.186 -15.399 1.00 33.74 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.589 -16.737 -15.953 1.00 41.88 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.693 -16.495 -15.218 1.00 40.66 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.545 -10.177 -16.887 1.00 39.52 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.641 -8.799  -17.451 1.00 44.72 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.745 -8.624  -18.693 1.00 43.20 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.191 -7.914  -19.637 1.00 43.69 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.338 -7.740  -16.371 1.00 52.03 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.202 -7.846  -15.157 1.00 63.32 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.782 -8.490  -13.997 1.00 75.66 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.457 -7.407  -14.910 1.00 70.35 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.741 -8.435  -13.090 1.00 75.77 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.783 -7.780  -13.627 1.00 72.53 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.563  -9.267  -18.731 1.00 39.51 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.545  -9.147  -19.819 1.00 39.13 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -8.998  -9.801  -21.138 1.00 34.91 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.319  -9.577  -22.157 1.00 36.42 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.179  -9.683  -19.356 1.00 46.43 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.133  -11.144 -19.063 1.00 48.84 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.527  -12.053 -19.919 1.00 57.33 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.580  -11.858 -18.005 1.00 53.02 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.614  -13.267 -19.409 1.00 51.62 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.256  -13.178 -18.234 1.00 57.77 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.080 -10.587 -21.154 1.00 27.79 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.700 -11.125 -22.403 1.00 25.38 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.818 -10.212 -22.877 1.00 22.41 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.691 -10.701 -23.612 1.00 18.82 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.243 -12.529 -22.177 1.00 23.74 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.180 -13.477 -21.726 1.00 25.81 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.121  -13.817 -22.564 1.00 25.80 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.023 -14.156 -20.567 1.00 26.99 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.337  -14.674 -21.915 1.00 24.98 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.853  -14.896 -20.692 1.00 29.91 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.852 -8.979  -22.389 1.00 23.60 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.893 -7.974  -22.746 1.00 26.44 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.015 -7.807  -24.276 1.00 25.97 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.000 -7.730  -25.029 1.00 26.30 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.566 -6.639  -22.060 1.00 33.52 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.613 -5.517  -22.227 1.00 40.94 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.225 -5.723  -21.337 1.00 51.17 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.827 -5.079  -19.715 1.00 40.45 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.250 -7.798  -24.774 1.00 20.08 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.569 -7.603  -26.209 1.00 20.88 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.565 -6.425  -26.307 1.00 21.07 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.391 -6.230  -25.383 1.00 21.25 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.084 -8.879  -26.903 1.00 21.86 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -13.986 -9.929  -27.004 1.00 25.85 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.296 -9.486  -26.227 1.00 22.69 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.486 -5.670  -27.398 1.00 21.35 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.352 -4.487  -27.629 1.00 21.13 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.589 -4.989  -28.387 1.00 20.05 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.480 -5.419  -29.549 1.00 23.60 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.622 -3.419  -28.442 1.00 22.22 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.394 -2.148  -28.636 1.00 26.17 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.518 -1.193  -27.636 1.00 31.10 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.107 -1.691  -29.696 1.00 29.38 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.262 -0.179  -28.076 1.00 27.16 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.640 -0.468  -29.346 1.00 33.48 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.707 -5.112  -27.682 1.00 15.79 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.947 -5.638  -28.296 1.00 17.08 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.752 -4.443  -28.819 1.00 16.77 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.793 -3.425  -28.162 1.00 16.48 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.752 -6.446  -27.250 1.00 16.93 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.969 -7.653  -26.709 1.00 18.45 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.101 -6.857  -27.849 1.00 16.41 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.417 -8.598  -27.766 1.00 17.84 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.382 -4.624  -29.959 1.00 16.06 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.377 -3.657  -30.500 1.00 16.08 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.639 -4.434  -30.884 1.00 16.99 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.571 -5.650  -31.133 1.00 17.86 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.798 -2.905  -31.705 1.00 18.42 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.451 -3.798  -32.745 1.00 19.78 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.582 -2.077  -31.359 1.00 21.16 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.785 -3.751  -30.889 1.00 16.34 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.078 -4.393  -31.178 1.00 16.75 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.353 -4.382  -32.681 1.00 16.84 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.031 -3.368  -33.337 1.00 17.76 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.150 -3.664  -30.376 1.00 16.65 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.928 -3.690  -28.866 1.00 16.87 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.880 -2.776  -28.122 1.00 18.55 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.023 -5.113  -28.308 1.00 18.70 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.976 -5.425  -33.167 1.00 16.02 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.341 -5.613  -34.578 1.00 15.61 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.826 -5.210  -34.745 1.00 17.25 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.719 -6.001  -34.443 1.00 16.29 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.055 -7.034  -35.055 1.00 15.91 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.393 -7.329  -36.509 1.00 20.98 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.017 -6.452  -37.146 1.00 19.39 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.027 -8.427  -37.024 1.00 20.22 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.041 -3.983  -35.241 0.25 17.70 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.062 -3.991  -35.241 0.25 18.55 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.370 -3.371  -35.523 0.25 18.81 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.422 -3.414  -35.433 0.25 20.17 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.278 -4.345  -36.276 0.25 17.83 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.296 -4.347  -36.280 0.25 18.61 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.485 -4.349  -36.009 0.25 17.66 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.514 -4.342  -36.068 0.25 18.22 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.212 -2.120  -36.397 0.25 19.59 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.337 -2.039  -36.109 0.25 22.54 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.348 -1.029  -35.783 0.25 20.95 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.840 -0.919  -35.208 0.25 25.23 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.329 0.264   -36.593 0.25 20.77 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.384 -0.553  -35.468 0.25 28.41 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.771 1.324   -35.776 0.25 20.21 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.175 0.424   -36.539 0.25 29.93 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.446 1.904   -34.805 0.25 19.27 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.701 0.151   -37.756 0.25 32.12 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.698 1.549   -34.600 0.25 19.85 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.370 -1.080  -38.098 0.25 34.19 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.886 2.834   -34.061 0.25 19.63 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.553 1.125   -38.635 0.25 33.92 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.719 -5.116  -37.211 1.00 18.14 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.521 -5.944  -38.143 1.00 18.65 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.194 -7.103  -37.402 1.00 16.50 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.186 -7.603  -37.900 1.00 16.80 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.665 -6.395  -39.327 1.00 23.53 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.423 -5.245  -40.284 1.00 29.01 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.168 -4.260  -40.292 1.00 35.15 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.380 -5.365  -41.080 1.00 39.91 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.646 -7.529  -36.248 1.00 14.91 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.191 -8.630  -35.438 1.00 15.19 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.222 -8.127  -34.433 1.00 13.46 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.868 -8.956  -33.809 1.00 13.75 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.090 -9.407  -34.704 1.00 14.27 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.513 -8.563  -33.699 1.00 15.26 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.052 -9.918  -35.686 1.00 15.24 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.309 -6.822  -34.196 1.00 14.06 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.112 -6.270  -33.091 1.00 13.64 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.602 -6.454  -33.346 1.00 14.30 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.077 -6.183  -34.469 1.00 15.46 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.794 -4.810  -32.931 1.00 14.99 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.350 -6.768  -32.297 1.00 14.36 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.816 -6.565  -32.309 1.00 13.91 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.097 -5.128  -32.798 1.00 14.67 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.395 -4.177  -32.417 1.00 13.73 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.344 -6.891  -30.918 1.00 14.37 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.821 -6.663  -30.830 1.00 18.04 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.236 -5.546  -30.623 1.00 15.73 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.586 -7.704  -31.014 1.00 21.12 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.171 -4.955  -33.547 1.00 13.64 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.507 -3.682  -34.217 1.00 13.51 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.893 -2.584  -33.229 1.00 14.60 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.013 -1.442  -33.711 1.00 15.85 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.592 -3.924  -35.214 1.00 16.29 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.729 -4.375  -34.509 1.00 19.08 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.086 -2.859  -31.943 1.00 13.67 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.385 -1.847  -30.904 1.00 13.23 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.129 -1.374  -30.194 1.00 13.94 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.238 -0.426  -29.406 1.00 14.50 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.401 -2.365  -29.928 1.00 14.66 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.780 -2.446  -30.514 1.00 15.65 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.158 -2.993  -31.708 1.00 17.35 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.976 -2.025  -29.847 1.00 18.61 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.528 -2.904  -31.846 1.00 20.28 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.047 -2.332  -30.720 1.00 17.34 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.230 -1.409  -28.615 1.00 19.74 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.372 -2.038  -30.371 1.00 21.88 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.541 -1.106  -28.280 1.00 20.68 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.583 -1.464  -29.130 1.00 22.44 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.951 -1.937  -30.540 1.00 14.12 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.722 -1.536  -29.814 1.00 14.06 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.129 -0.274  -30.437 1.00 14.88 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.126 -0.114  -31.651 1.00 14.71 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.694 -2.675  -29.796 1.00 12.62 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.140 -3.924  -29.055 1.00 14.98 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.048 -4.979  -29.028 1.00 14.19 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.588 -3.634  -27.662 1.00 15.16 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.490 0.498   -29.566 1.00 13.42 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.712 1.707   -29.938 1.00 14.17 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.271 1.490   -29.496 1.00 14.95 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.012 1.396   -28.273 1.00 14.73 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.271 2.994   -29.329 1.00 15.47 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.770 3.209   -29.664 1.00 15.63 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.414 4.191   -29.795 1.00 16.54 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.418 4.307   -28.923 1.00 17.36 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.408 1.387   -30.509 1.00 16.27 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.944 1.200   -30.309 1.00 17.18 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.265 2.543   -30.481 1.00 18.55 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.551 3.270   -31.494 1.00 20.03 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.426 0.120   -31.252 1.00 17.43 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.001 -1.242  -30.873 1.00 19.70 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.903 0.099   -31.232 1.00 17.34 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.819 -2.230  -31.855 1.00 22.54 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.353 2.871   -29.575 1.00 17.81 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.654 4.167   -29.610 1.00 17.80 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.732 4.234   -30.842 1.00 16.23 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.388 3.225   -31.442 1.00 17.77 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.890 4.330   -28.342 1.00 18.45 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.944 3.278   -28.256 1.00 18.81 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.366 5.458   -31.240 1.00 19.84 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.481 5.728   -32.399 1.00 21.09 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.184 4.920   -32.297 1.00 19.32 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.727 4.433   -33.335 1.00 22.17 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.202 7.236   -32.405 1.00 24.74 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.231 7.690   -33.467 1.00 30.17 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.353 9.174   -33.657 1.00 30.12 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.246 9.924   -32.353 1.00 34.99 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.286 11.370  -32.631 1.00 40.36 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.627 4.807   -31.093 1.00 21.13 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.336 4.092   -30.865 1.00 20.05 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.560 2.569   -30.835 1.00 19.94 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.562 1.818   -30.721 1.00 18.88 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.602 4.622   -29.635 1.00 21.19 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.260 4.346   -28.296 1.00 19.55 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.356 3.693   -28.285 1.00 20.81 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.654 4.755   -27.275 1.00 25.04 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.806 2.113   -30.916 1.00 17.11 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.141 0.668   -30.950 1.00 17.14 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.717 0.003   -29.619 1.00 14.37 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.549 -1.226  -29.589 1.00 14.43 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.607 -0.009  -32.225 1.00 19.99 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.299 0.535   -33.479 1.00 24.40 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.918 -0.080  -34.788 1.00 32.14 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.492 -0.227  -34.958 1.00 41.42 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.800 -1.375  -34.849 1.00 57.43 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.398 -2.535  -34.561 1.00 55.06 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.487 -1.351  -35.047 1.00 59.96 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.672 0.751   -28.532 1.00 13.79 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.286 0.208   -27.207 1.00 15.49 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.435 0.206   -26.192 1.00 15.31 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.246 -0.349  -25.095 1.00 16.35 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.090 0.957   -26.616 1.00 16.87 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.896 0.884   -27.558 1.00 19.11 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.024 -0.300  -27.286 1.00 20.90 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.244 -0.062  -26.068 1.00 21.89 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.547 -1.022  -25.452 1.00 21.45 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.469 -2.211  -26.009 1.00 21.91 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.851 -0.759  -24.363 1.00 22.19 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.592 0.786   -26.514 1.00 13.97 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.750 0.853   -25.604 1.00 13.49 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.017 0.467   -26.359 1.00 14.06 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.114 0.713   -27.583 1.00 14.44 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.963 2.247   -25.009 1.00 16.58 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.707 2.822   -24.408 1.00 19.66 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.034 4.081   -23.644 1.00 23.20 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.176 4.354   -23.292 1.00 26.04 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -25.999 4.830   -23.353 1.00 29.19 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.941 -0.157  -25.636 1.00 12.69 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.247 -0.537  -26.236 1.00 12.99 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.327 -0.361  -25.173 1.00 13.11 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.124 -0.747  -24.034 1.00 13.01 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.213 -1.939  -26.850 1.00 11.57 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.780 -3.036  -25.862 1.00 11.58 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.551 -2.316  -27.493 1.00 13.76 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.481 0.126   -25.591 1.00 13.26 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.659 0.202   -24.711 1.00 13.38 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.919 -0.089  -25.517 1.00 14.20 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.917 0.003   -26.755 1.00 13.45 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.780 1.569   -24.027 1.00 14.59 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.116 2.703   -24.991 1.00 17.09 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.017 4.027   -24.236 1.00 20.07 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.299 5.127   -25.139 1.00 23.44 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.484 5.606   -25.452 1.00 21.90 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.588 5.070   -24.977 1.00 25.31 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.555 6.629   -26.315 1.00 26.06 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.975 -0.414  -24.775 0.25 13.92 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -36.994 -0.469  -24.826 0.25 15.24 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.341 -0.636  -25.305 0.25 15.51 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.289 -0.753  -25.503 0.25 17.62 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.938 0.719   -25.691 0.25 15.92 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.055 0.558   -25.673 0.25 17.41 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.913 1.645   -24.870 0.25 15.85 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.339 1.223   -24.654 0.25 17.32 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.200 -1.315  -24.238 0.25 15.87 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.172 -1.743  -24.743 0.25 19.86 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.599 -1.650  -24.718 0.25 17.18 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.521 -1.949  -25.453 0.25 23.04 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.556 -2.725  -26.195 0.25 17.71 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.177 -3.616  -25.231 0.25 26.39 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.181 -3.482  -26.110 0.25 18.67 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.355 -3.704  -26.581 0.25 25.96 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.409 0.847   -26.927 1.00 16.63 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.171 2.042   -27.349 1.00 17.72 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.630 1.895   -26.957 1.00 18.69 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.061 0.786   -26.541 1.00 18.48 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.372 3.016   -27.008 1.00 22.38 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.809 2.980   -26.589 1.00 26.98 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.668 2.597   -27.824 1.00 27.04 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.901 2.421   -27.663 1.00 27.67 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.203 4.247   -25.798 1.00 33.62 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.809 4.263   -24.301 1.00 43.75 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.604 3.169   -23.706 1.00 46.57 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.734 5.375   -23.696 1.00 41.25 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.056 2.285   -28.971 1.00 21.91 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.783 1.924   -30.229 1.00 20.63 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.846 1.201   -31.216 1.00 18.19 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.569 1.185   -31.019 1.00 16.67 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.354 3.231   -30.785 1.00 21.48 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.220 2.943   -31.866 1.00 22.29 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.262 4.120   -31.320 1.00 22.42 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.339 0.736   -32.362 1.00 18.63 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.527 0.272   -33.526 1.00 17.55 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.569 1.370   -33.955 1.00 18.91 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.039 2.524   -34.169 1.00 19.45 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.463 -0.210  -34.646 1.00 17.30 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.830 -0.880  -35.820 1.00 15.73 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.042 -0.216  -36.741 1.00 15.77 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.923 -2.158  -36.243 1.00 15.40 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.706 -1.073  -37.690 1.00 16.09 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.209 -2.296  -37.381 1.00 16.33 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.285 1.041   -34.190 1.00 16.62 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.229 2.023   -34.488 1.00 16.82 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.044 2.292   -35.996 1.00 18.53 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.010 2.860   -36.402 1.00 19.44 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.945 1.616   -33.761 1.00 16.67 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.087 1.733   -32.270 1.00 16.02 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.564 3.066   -31.774 1.00 15.71 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.552 3.189   -31.053 1.00 18.87 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.925 4.129   -32.223 1.00 15.20 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.024 1.952   -36.817 1.00 16.40 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.108 2.447   -38.226 1.00 16.15 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.022 1.809   -39.087 1.00 16.66 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.521 2.458   -40.001 1.00 20.23 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.224 3.986   -38.304 1.00 16.61 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.808 4.416   -39.647 1.00 16.65 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.667 3.726   -40.187 1.00 14.79 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.362 5.545   -40.224 1.00 15.75 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.688 0.540   -38.824 1.00 18.62 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.724 -0.270  -39.613 1.00 19.81 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.493 -1.332  -40.411 1.00 17.87 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.547 -1.753  -39.956 1.00 18.26 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.666 -0.919  -38.700 1.00 20.11 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.790 0.147   -38.051 1.00 23.08 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.281 -1.793  -37.619 1.00 21.42 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.927 -1.815  -41.506 1.00 20.03 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.486 -2.975  -42.250 1.00 20.89 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.267 -4.279  -41.482 1.00 20.96 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.301 -4.355  -40.713 1.00 18.96 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.901 -3.050  -43.637 1.00 24.23 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.512 -3.268  -43.569 1.00 25.80 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.103 -5.286  -41.722 1.00 19.95 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.984 -6.635  -41.121 1.00 19.88 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.953 -7.386  -41.952 1.00 21.42 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.659 -6.987  -43.080 1.00 21.42 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.319 -7.376  -40.984 1.00 21.49 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.374 -8.380  -39.819 1.00 25.26 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.343 -8.534  -39.121 1.00 19.15 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.501 -8.925  -39.486 1.00 26.84 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.330 -8.389  -41.328 1.00 19.25 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.295 -9.233  -41.965 1.00 20.73 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.269 -10.550 -41.183 1.00 21.34 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.970 -10.670 -40.155 1.00 23.45 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.973 -8.509  -42.135 1.00 20.44 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.227 -8.339  -40.830 1.00 20.01 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.123 -9.291  -40.070 1.00 21.91 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.840 -7.144  -40.503 1.00 19.33 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.630 -11.566 -41.747 1.00 21.52 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.681 -12.913 -41.142 1.00 22.47 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.770 -12.969 -39.893 1.00 18.58 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.937 -13.965 -39.135 1.00 19.96 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.191 -13.948 -42.163 1.00 26.23 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.795 -13.668 -42.685 1.00 32.90 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.142 -14.846 -43.383 1.00 46.73 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.664 -14.627 -43.618 1.00 50.55 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.190 -15.488 -44.727 1.00 56.37 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.872 -12.000 -39.721 1.00 19.02 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.932 -11.981 -38.550 1.00 19.46 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.672 -11.497 -37.294 1.00 17.39 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.213 -11.819 -36.153 1.00 17.99 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.742 -11.085 -38.821 1.00 21.78 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.788 -11.556 -39.918 1.00 27.74 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.606 -10.595 -40.069 1.00 34.94 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.623 -9.769  -41.027 1.00 42.56 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.695 -10.601 -39.215 1.00 42.96 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.648 -10.602 -37.413 1.00 15.70 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.191 -9.913  -36.212 1.00 15.72 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.885 -10.869 -35.252 1.00 15.38 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.734 -11.693 -35.670 1.00 15.77 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.196 -8.808  -36.590 1.00 15.26 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.626 -7.680  -37.421 1.00 15.99 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.543 -6.439  -37.329 1.00 15.43 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.057 -5.433  -38.244 1.00 16.38 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.959 -4.718  -38.048 1.00 16.81 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.305 -4.755  -36.884 1.00 15.95 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.510 -3.909  -38.989 1.00 19.62 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.608 -10.769 -33.952 1.00 13.61 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.414 -11.471 -32.945 1.00 13.74 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.835 -10.885 -32.973 1.00 15.66 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.981 -9.678  -32.720 1.00 15.79 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.788 -11.383 -31.567 1.00 13.60 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.548 -12.225 -31.434 1.00 13.24 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.661 -13.587 -31.167 1.00 13.99 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.283 -11.665 -31.506 1.00 14.25 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.531 -14.393 -31.047 1.00 15.06 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.166 -12.475 -31.358 1.00 14.92 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.293 -13.833 -31.150 1.00 13.61 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.845 -11.712 -33.181 1.00 16.47 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.236 -11.202 -33.354 1.00 19.14 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -41.968 -11.109 -32.016 1.00 16.13 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.713 -10.120 -31.849 1.00 20.89 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -42.008 -12.057 -34.355 1.00 18.88 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.101 -13.392 -33.932 1.00 19.57 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.849 -12.049 -31.110 1.00 16.73 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.778 -12.183 -29.963 1.00 17.57 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.280 -11.435 -28.729 1.00 17.16 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.066 -11.237 -27.778 1.00 18.91 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.058 -13.623 -29.581 1.00 18.65 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -43.956 -14.346 -30.572 1.00 23.73 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.789 -14.210 -31.784 1.00 25.74 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.873 -15.166 -30.053 1.00 26.21 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -40.977 -11.124 -28.664 1.00 14.68 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.369 -10.632 -27.414 1.00 14.21 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.429 -9.487  -27.766 1.00 13.26 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.887 -9.435  -28.874 1.00 14.37 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.568 -11.754 -26.745 1.00 14.92 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.275 -13.084 -26.640 1.00 16.55 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.298 -13.273 -25.721 1.00 19.06 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.960 -14.149 -27.469 1.00 17.47 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.977 -14.490 -25.616 1.00 21.75 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.652 -15.351 -27.411 1.00 19.30 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.645 -15.536 -26.460 1.00 19.82 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.291 -16.753 -26.371 1.00 19.94 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.107 -8.622  -26.769 1.00 12.83 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.244 -7.456  -26.991 1.00 13.22 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.730 -7.773  -26.971 1.00 12.44 ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.981 -7.235  -26.169 1.00 12.51 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.623 -6.474  -25.865 1.00 14.32 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.842 -7.122  -25.191 1.00 14.64 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.744 -8.579  -25.462 1.00 13.21 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.348 -8.662  -27.900 1.00 13.15 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -34.986 -9.256  -27.973 1.00 11.95 ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.181 -8.692  -29.138 1.00 11.91 ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.714 -8.173  -30.164 1.00 12.17 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.083 -10.782 -28.140 1.00 12.15 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.674 -11.443 -26.947 1.00 11.82 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.166 -13.167 -27.358 1.00 13.61 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.766 -13.810 -25.820 1.00 13.87 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.847 -8.713  -28.985 1.00 11.33 ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.888 -8.256  -30.028 1.00 12.53 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.581 -9.038  -29.812 1.00 13.05 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.304 -9.455  -28.669 1.00 12.40 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.710 -6.726  -29.984 1.00 12.32 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.172 -6.227  -28.667 1.00 12.83 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.832 -6.202  -31.133 1.00 12.43 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.822 -9.230  -30.878 1.00 12.83 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.480 -9.875  -30.798 1.00 13.09 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.355 -8.872  -30.954 1.00 12.59 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.504 -7.791  -31.628 1.00 13.27 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.300 -10.952 -31.865 1.00 13.43 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.382 -12.012 -31.917 1.00 13.78 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.087 -13.103 -32.942 1.00 15.25 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.611 -12.652 -30.557 1.00 13.98 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.224 -9.183  -30.348 1.00 12.66 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.972 -8.494  -30.695 1.00 13.08 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.585 -8.816  -32.129 1.00 13.23 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.925 -9.901  -32.634 1.00 14.50 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.831 -7.943  -32.761 1.00 14.57 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.332 -8.121  -34.143 1.00 17.54 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.210 -9.158  -34.190 1.00 17.22 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.062 -9.855  -35.212 1.00 20.40 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.868 -6.783  -34.615 1.00 18.97 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.467 -9.286  -33.105 1.00 16.16 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.261 -10.135 -33.090 1.00 16.21 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.696 -11.603 -33.085 1.00 17.84 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.716 -11.960 -32.431 1.00 17.36 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.395 -9.777  -31.870 1.00 18.60 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.713 -8.419  -31.928 1.00 20.18 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.683 -7.256  -31.819 1.00 20.03 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.656 -7.314  -31.073 1.00 18.34 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.445 -6.190  -32.554 1.00 22.63 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.954 -12.460 -33.802 1.00 17.95 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.095 -13.928 -33.787 1.00 18.69 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.820 -14.537 -33.210 1.00 16.79 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.721 -14.112 -33.598 1.00 19.18 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.233 -14.521 -35.204 1.00 23.58 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.606 -14.418 -35.870 1.00 31.61 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.127 -12.993 -35.959 1.00 33.57 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.101 -12.512 -36.958 1.00 40.23 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.748 -13.215 -37.891 1.00 38.64 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.600 -12.596 -38.692 1.00 43.10 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.577 -14.511 -38.033 1.00 44.75 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.946 -15.495 -32.323 1.00 16.10 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.779 -16.125 -31.652 1.00 16.68 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.824 -17.625 -31.929 1.00 15.26 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.855 -18.269 -31.668 1.00 13.61 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.819 -15.839 -30.137 1.00 18.92 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.794 -14.361 -29.800 1.00 19.63 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.777 -13.540 -30.287 1.00 21.65 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.781 -13.786 -29.047 1.00 25.31 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.732 -12.178 -30.002 1.00 24.64 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.728 -12.430 -28.754 1.00 20.75 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.728 -11.637 -29.241 1.00 22.71 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.728 -18.200 -32.443 0.25 15.28 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.732 -18.196 -32.458 0.25 15.93 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.638 -19.658 -32.716 0.25 15.60 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.615 -19.654 -32.733 0.25 16.76 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.427 -20.279 -31.989 0.25 15.15 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.342 -20.232 -32.105 0.25 16.86 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.293 -21.518 -32.008 0.25 14.38 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.940 -21.336 -32.508 0.25 16.45 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.661 -19.918 -34.205 0.25 15.96 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.630 -19.926 -34.198 0.25 17.10 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -17.995 -19.760 -34.721 0.25 16.02 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.567 -19.246 -34.824 0.25 17.21 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.620 -19.464 -31.305 0.25 14.85 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.721 -19.506 -31.179 0.25 17.11 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.437 -19.925 -30.541 0.25 15.75 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.462 -19.925 -30.532 0.25 18.14 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.116 -18.942 -29.416 0.25 16.60 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.040 -18.905 -29.477 0.25 17.93 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.697 -17.845 -29.408 0.25 16.75 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.442 -17.731 -29.610 0.25 17.13 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.250 -20.081 -31.472 0.25 15.93 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.388 -20.089 -31.578 0.25 19.55 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.783 -18.809 -31.878 0.25 14.79 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.157 -20.365 -30.945 0.25 21.03 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.200 -19.331 -28.528 1.00 17.88 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.565 -18.401 -27.580 1.00 19.45 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.408 -18.076 -26.353 1.00 16.37 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.439 -18.725 -26.118 1.00 16.09 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.911 -17.094 -25.622 1.00 16.09 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.509 -16.583 -24.392 1.00 16.18 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.924 -15.131 -24.652 1.00 15.91 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.130 -14.328 -25.141 1.00 17.83 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.497 -16.749 -23.273 1.00 17.19 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.074 -18.181 -22.944 1.00 18.49 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.935  -18.218 -21.874 1.00 21.62 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.534  -19.615 -21.447 1.00 25.41 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.510  -19.571 -20.376 1.00 29.19 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.137 -14.797 -24.228 1.00 14.52 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.775 -13.481 -24.420 1.00 14.65 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.440 -13.044 -23.122 1.00 13.86 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -15.985 -13.870 -22.420 1.00 14.71 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.877 -13.598 -25.457 1.00 15.41 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.403 -13.752 -26.875 1.00 16.00 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.685 -15.339 -27.412 1.00 18.64 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.917 -16.537 -26.959 1.00 17.98 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.421 -11.759 -22.844 1.00 13.74 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -15.999 -11.168 -21.617 1.00 14.35 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.607 -9.836  -22.002 1.00 15.05 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.966 -9.009  -22.726 1.00 16.09 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.937 -11.002 -20.526 1.00 15.92 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.450 -10.390 -19.254 1.00 14.65 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.174 -11.152 -18.358 1.00 15.00 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.298 -9.036  -18.994 1.00 16.26 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.694 -10.611 -17.191 1.00 16.27 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.807 -8.482  -17.832 1.00 15.47 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.507 -9.254  -16.936 1.00 15.57 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -16.984 -8.677  -15.793 1.00 18.19 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.808 -9.573  -21.511 1.00 12.88 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.391 -8.219  -21.620 1.00 12.79 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.283 -7.938  -20.392 1.00 12.23 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.631 -8.882  -19.641 1.00 13.61 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.153 -8.020  -22.948 1.00 12.80 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.338 -8.892  -23.209 1.00 12.50 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.671 -8.622  -22.972 1.00 13.14 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.319 -10.210 -23.765 1.00 13.32 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.450 -9.663  -23.413 1.00 13.60 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.646 -10.679 -23.847 1.00 13.77 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.292 -11.050 -24.199 1.00 16.65 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -21.973 -11.922 -24.368 1.00 15.51 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.605 -12.288 -24.699 1.00 17.41 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.928 -12.716 -24.781 1.00 16.05 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.708 -6.679  -20.217 1.00 12.79 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.539 -6.247  -19.064 1.00 13.13 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.756 -5.480  -19.542 1.00 13.05 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.654 -4.771  -20.539 1.00 13.59 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.734 -5.406  -18.082 1.00 13.94 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.690 -6.250  -17.372 1.00 16.66 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.786 -5.501  -16.414 1.00 20.78 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -17.969 -4.243  -16.326 1.00 24.50 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.976 -6.184  -15.647 1.00 19.11 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.868 -5.717  -18.855 1.00 13.69 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.147 -5.072  -19.192 1.00 13.17 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.730 -4.377  -17.960 1.00 12.10 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.823 -4.997  -16.884 1.00 13.59 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.170 -6.066  -19.767 1.00 12.79 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.418 -5.333  -20.230 1.00 13.65 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.550 -6.931  -20.844 1.00 13.90 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.192 -3.135  -18.126 1.00 12.29 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.863 -2.329  -17.070 1.00 14.28 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.349 -2.615  -17.123 1.00 12.84 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.960 -2.545  -18.258 1.00 13.58 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.529 -0.848  -17.228 1.00 15.66 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.925 -0.029  -16.005 1.00 18.38 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.077 -0.045  -15.642 1.00 17.28 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.012 0.474   -15.320 1.00 25.18 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.919 -3.028  -15.988 1.00 13.23 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.363 -3.375  -15.821 1.00 13.81 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.049 -2.456  -14.796 1.00 13.99 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.113 -2.814  -14.273 1.00 14.39 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.520 -4.879  -15.452 1.00 13.74 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.927 -5.784  -16.560 1.00 13.71 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.916 -5.261  -14.092 1.00 14.31 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.424 -1.334  -14.455 1.00 14.49 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.903 -0.417  -13.399 1.00 15.99 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.402 -0.126  -13.587 1.00 16.55 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.833 0.262   -14.708 1.00 15.47 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.112 0.880   -13.411 1.00 16.38 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.743 0.614   -13.101 1.00 18.58 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.748 1.813   -12.396 1.00 18.95 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.167 -0.332  -12.510 0.76 19.23 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.607 0.009   -12.339 0.76 20.44 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.546 -0.797  -13.233 0.76 20.44 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.766 -0.491  -13.252 0.76 21.49 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.810 1.504   -12.537 0.76 24.20 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.591 2.248   -11.235 0.76 26.84 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.552 1.780   -10.164 0.76 27.29 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -35.745 2.036   -10.231 0.76 28.41 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -34.040 1.063   -9.178  0.76 28.75 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.063 -1.831  -13.905 1.00 15.68 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.998 -2.694  -14.640 1.00 14.95 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.676 -3.701  -13.704 1.00 13.57 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.029 -4.214  -12.741 1.00 15.66 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.236 -3.376  -15.767 1.00 14.81 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.746 -2.379  -16.833 1.00 15.01 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.302 -3.010  -18.151 1.00 16.12 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.402 -3.751  -18.890 1.00 14.95 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.574 -2.873  -19.219 1.00 13.69 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.929 -3.993  -13.991 1.00 12.49 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.752 -4.993  -13.278 1.00 12.87 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.636 -6.362  -13.958 1.00 13.19 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.006 -7.385  -13.384 1.00 13.75 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.230 -4.583  -13.302 1.00 14.18 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.482 -3.329  -12.508 1.00 16.21 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.961 -2.931  -12.584 1.00 14.95 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.362 -2.081  -11.771 1.00 19.57 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.689 -3.460  -13.465 1.00 18.35 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.266 -6.394  -15.231 1.00 12.66 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.286 -7.639  -16.020 1.00 11.45 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.295 -7.520  -17.177 1.00 13.40 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.274 -6.480  -17.857 1.00 13.06 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.660 -7.992  -16.541 1.00 12.97 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.605 -8.620  -17.482 1.00 12.21 ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.596 -8.686  -18.573 1.00 12.40 ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.105 -10.121 -18.673 1.00 12.65 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.203 -10.850 -17.674 1.00 12.12 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.439 -7.707  -18.342 1.00 13.12 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.744 -7.747  -17.022 1.00 12.91 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.966 -6.897  -15.981 1.00 13.63 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.812 -8.719  -16.491 1.00 12.78 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.210 -7.201  -14.892 1.00 13.77 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.486 -8.335  -15.182 1.00 13.39 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.153 -9.837  -17.048 1.00 13.74 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.580 -8.996  -14.359 1.00 13.10 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.286 -10.538 -16.216 1.00 13.22 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -29.986 -10.097 -14.913 1.00 14.44 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.566 -10.475 -19.838 1.00 11.84 ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.806 -11.735 -20.062 1.00 12.30 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.432 -11.319 -20.614 1.00 11.20 ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.405 -10.423 -21.482 1.00 11.62 ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.461 -12.681 -21.058 1.00 13.08 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.941 -12.945 -20.914 1.00 15.08 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.394 -12.925 -19.785 1.00 18.35 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.621 -13.134 -21.942 1.00 16.83 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.357 -12.010 -20.239 1.00 10.25 ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.006 -11.755 -20.776 1.00 10.26 ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.298 -13.093 -20.967 1.00 10.51 ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.396 -13.996 -20.130 1.00 11.21 ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.164 -10.902 -19.834 1.00 11.10 ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.541 -9.440  -19.705 1.00 12.33 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.700 -8.846  -18.590 1.00 13.42 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.339 -8.736  -21.033 1.00 12.72 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.438 -13.125 -21.969 1.00 9.98  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.479 -14.239 -22.086 1.00 11.76 ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.947 -14.337 -23.511 1.00 10.45 ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.595 -13.336 -24.101 1.00 10.62 ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.850 -15.569 -24.029 0.25 10.70 ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.974 -15.543 -24.070 0.25 11.31 ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.464 -15.857 -25.439 0.25 10.77 ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.415 -15.814 -25.416 0.25 11.79 ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.477 -16.812 -26.055 0.25 10.99 ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.293 -16.901 -26.049 0.25 11.61 ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.218 -17.506 -25.331 0.25 11.20 ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.862 -17.704 -25.302 0.25 11.55 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.062 -16.474 -25.588 0.25 10.52 ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.925 -16.182 -25.271 0.25 12.64 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -22.989 -15.467 -25.235 0.25 10.08 ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.727 -17.532 -24.607 0.25 12.37 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.902 -17.736 -24.761 0.25 10.55 ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.171 -16.105 -26.580 0.25 13.21 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.447 -16.895 -27.375 1.00 11.07 ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.257 -17.885 -28.066 1.00 11.92 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.590 -18.295 -29.368 1.00 12.29 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.690 -17.594 -29.892 1.00 11.85 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.662 -17.368 -28.345 1.00 12.96 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.760 -15.962 -29.471 1.00 14.00 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.039 -19.418 -29.908 0.25 12.51 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.021 -19.424 -29.905 0.25 11.85 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.623 -19.853 -31.260 0.25 13.59 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.548 -19.891 -31.228 0.25 12.40 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.036 -18.798 -32.288 0.25 12.90 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.062 -18.923 -32.312 0.25 12.45 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.094 -18.176 -32.150 0.25 12.61 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.226 -18.483 -32.225 0.25 12.33 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.278 -21.185 -31.620 0.25 14.64 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.040 -21.326 -31.436 0.25 12.47 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.667 -22.353 -30.873 0.25 15.54 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.334 -22.056 -32.565 0.25 12.32 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.318 -23.661 -31.258 0.25 16.73 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.923 -23.419 -32.780 0.25 12.17 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -26.990 -24.700 -30.294 0.25 16.25 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.793 -24.232 -31.600 0.25 12.41 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.825 -25.660 -29.948 0.25 15.76 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.812 -24.827 -30.989 0.25 11.74 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.043 -25.685 -30.464 0.25 15.00 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.019 -24.724 -31.483 0.25 12.88 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.441 -26.581 -29.080 0.25 17.22 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.610 -25.528 -29.892 0.25 11.25 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.254 -18.654 -33.346 1.00 13.43 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.672 -17.741 -34.444 1.00 15.07 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.963 -18.268 -35.069 1.00 16.62 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.695 -17.452 -35.651 1.00 19.43 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.533 -17.621 -35.455 1.00 17.19 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.123 -18.874 -36.187 1.00 20.75 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.604 -20.001 -35.873 1.00 24.77 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.295 -18.707 -37.122 1.00 23.55 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.256 -19.572 -35.017 1.00 15.11 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.401 -20.204 -35.725 1.00 15.80 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.654 -20.323 -34.838 1.00 15.43 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.592 -21.017 -35.230 1.00 15.96 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -28.968 -21.560 -36.252 1.00 16.38 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.492 -22.352 -35.222 1.00 18.99 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.725 -19.650 -33.679 1.00 13.40 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.949 -19.728 -32.844 1.00 14.57 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.168 -19.248 -33.638 1.00 13.65 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.078 -18.323 -34.477 1.00 14.63 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.834 -18.984 -31.506 1.00 13.78 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.818 -19.628 -30.611 1.00 13.97 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.623 -17.496 -31.650 1.00 13.66 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.290 -19.853 -33.286 1.00 16.25 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.647 -19.443 -33.777 1.00 17.35 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.875 -17.955 -33.485 1.00 16.03 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.567 -17.514 -32.380 1.00 15.93 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.670 -20.313 -33.051 1.00 20.05 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.135 -20.017 -33.346 1.00 23.37 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.029 -20.860 -32.451 1.00 26.14 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.612 -21.872 -31.849 1.00 27.73 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.304 -20.478 -32.349 1.00 27.65 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.447 -17.219 -34.435 1.00 14.53 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.720 -15.764 -34.299 1.00 15.06 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.225 -15.530 -34.159 1.00 15.95 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.570 -14.526 -33.544 1.00 16.22 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.195 -14.929 -35.461 1.00 15.74 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.731 -15.144 -35.814 1.00 15.43 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.799 -14.952 -34.626 1.00 17.08 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.424 -15.372 -34.970 1.00 16.95 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.503 -14.644 -35.547 1.00 16.50 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.770 -13.416 -35.936 1.00 16.95 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.350 -15.196 -35.860 1.00 18.78 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.076 -16.367 -34.750 1.00 16.29 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.528 -16.101 -34.888 1.00 16.47 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.318 -17.012 -33.975 1.00 18.13 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.936 -18.193 -33.823 1.00 20.18 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.933 -16.266 -36.361 1.00 16.85 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.080 -15.527 -37.371 1.00 17.74 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.044 -14.021 -37.132 1.00 19.02 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.311 -13.305 -38.231 1.00 18.32 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.260 -11.841 -38.014 1.00 20.16 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.382 -16.504 -33.389 1.00 18.85 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.267 -17.314 -32.553 1.00 18.85 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.792 -17.474 -31.124 1.00 20.32 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.818 -16.738 -30.709 1.00 19.41 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.441 -18.374 -30.388 1.00 20.81 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.181 -18.595 -28.955 1.00 23.01 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.114 -19.666 -28.792 1.00 20.97 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.032 -20.591 -29.622 1.00 20.94 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.451 -19.037 -28.209 1.00 26.89 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.581 -18.033 -28.268 1.00 32.84 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.891 -18.771 -28.160 1.00 41.97 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.105 -19.538 -27.217 1.00 48.17 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.755 -18.589 -29.151 1.00 43.14 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.207 -19.467 -27.844 1.00 17.53 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.175 -20.470 -27.484 1.00 18.83 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.687 -20.197 -26.061 1.00 17.69 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.855 -19.091 -25.533 1.00 18.74 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.012 -20.388 -28.472 1.00 18.55 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.398 -19.019 -28.597 1.00 17.64 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.401 -18.617 -27.721 1.00 19.16 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.756 -18.162 -29.620 1.00 18.71 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.820 -17.367 -27.850 1.00 16.91 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.144 -16.932 -29.775 1.00 17.50 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.171 -16.545 -28.880 1.00 16.86 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.133 -21.216 -25.403 0.25 18.55 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.121 -21.230 -25.432 0.25 17.84 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.504 -21.067 -24.068 0.25 19.22 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.478 -21.151 -24.098 0.25 18.06 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.000 -20.853 -24.235 0.25 17.55 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -36.989 -20.837 -24.266 0.25 16.88 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.403 -21.398 -25.185 0.25 17.51 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.388 -21.275 -25.278 0.25 16.78 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.761 -22.250 -23.185 0.25 21.60 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.673 -22.426 -23.314 0.25 19.29 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.549 -23.443 -23.912 0.25 24.70 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.057 -22.643 -23.060 0.25 20.41 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.420 -20.096 -23.313 1.00 16.18 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.955 -19.912 -23.245 1.00 16.76 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.362 -21.136 -22.560 1.00 16.49 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.462 -21.283 -21.347 1.00 18.70 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.619 -18.660 -22.446 1.00 16.32 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.088 -17.361 -23.075 1.00 18.36 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.701 -16.201 -22.173 1.00 18.67 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.525 -17.148 -24.478 1.00 18.70 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.689 -22.018 -23.315 1.00 15.59 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.082 -23.242 -22.768 1.00 15.33 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.897 -23.606 -23.644 1.00 13.36 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.878 -23.263 -24.826 1.00 14.03 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.032 -24.413 -22.743 1.00 17.23 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.391 -24.765 -24.073 1.00 20.40 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.929 -24.335 -23.094 1.00 13.75 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.816 -24.829 -23.903 1.00 13.71 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.313 -25.716 -25.053 1.00 14.74 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.731 -25.622 -26.146 1.00 14.79 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.920 -25.572 -22.895 1.00 14.97 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.202 -24.822 -21.605 1.00 16.27 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.702 -24.623 -21.673 1.00 15.35 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.398 -26.462 -24.850 1.00 15.71 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -31.952 -27.313 -25.952 1.00 18.65 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.366 -26.445 -27.141 1.00 18.47 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.241 -26.874 -28.319 1.00 19.94 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.133 -28.142 -25.459 1.00 23.02 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.769 -28.967 -24.249 1.00 33.79 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.206 -28.370 -22.914 1.00 40.05 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.387 -27.606 -22.263 1.00 27.38 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.361 -28.722 -22.496 1.00 44.68 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.841 -25.230 -26.881 1.00 15.93 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.248 -24.286 -27.941 1.00 15.92 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.092 -23.383 -28.366 1.00 14.87 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.317 -22.508 -29.216 1.00 15.71 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.464 -23.456 -27.501 1.00 16.75 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.757 -24.234 -27.507 1.00 19.93 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.854 -25.304 -28.141 1.00 21.25 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.725 -23.773 -26.719 1.00 21.45 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.892 -23.531 -27.814 1.00 13.28 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.735 -22.747 -28.263 1.00 12.81 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.486 -21.466 -27.468 1.00 12.70 ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.807 -20.590 -28.011 1.00 12.94 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.950 -21.396 -26.209 1.00 12.59 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.741 -20.199 -25.339 1.00 12.18 ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.055 -20.567 -24.030 1.00 12.30 ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.478 -21.563 -23.392 1.00 12.96 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.080 -19.527 -24.980 1.00 12.62 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.873 -19.056 -26.178 1.00 11.54 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.764 -19.904 -26.816 1.00 12.02 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.749 -17.758 -26.653 1.00 11.52 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.504 -19.466 -27.894 1.00 12.86 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.519 -17.312 -27.709 1.00 12.57 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.402 -18.165 -28.318 1.00 12.39 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.112 -19.733 -23.585 1.00 10.46 ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.400 -19.836 -22.299 1.00 10.64 ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.571 -18.485 -21.613 1.00 10.11 ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.824 -17.545 -21.965 1.00 11.10 ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.946 -20.283 -22.508 1.00 10.66 ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.868 -21.659 -23.097 1.00 11.21 ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.771 -22.855 -22.439 1.00 13.10 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.907 -21.976 -24.511 1.00 11.58 ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.792 -23.896 -23.358 1.00 12.84 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.850 -23.383 -24.623 1.00 13.09 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.944 -21.201 -25.678 1.00 12.56 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.898 -24.025 -25.876 1.00 13.39 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.002 -21.847 -26.902 1.00 14.00 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -25.971 -23.224 -26.989 1.00 13.30 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.590 -18.395 -20.748 1.00 10.80 ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.085 -17.083 -20.271 1.00 11.18 ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.433 -17.152 -18.782 1.00 11.64 ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.662 -18.228 -18.223 1.00 10.84 ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.322 -16.649 -21.063 1.00 11.81 ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.386 -17.558 -20.805 1.00 12.01 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.031 -16.488 -22.539 1.00 12.07 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.460 -15.969 -18.161 1.00 10.49 ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.126 -15.730 -16.852 1.00 10.84 ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.132 -14.605 -17.052 1.00 10.70 ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.054 -13.853 -18.039 1.00 11.49 ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.103 -15.422 -15.741 1.00 11.77 ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.410 -14.064 -15.901 1.00 11.92 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.100 -16.542 -15.628 1.00 12.43 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.532 -13.615 -14.760 1.00 12.67 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -31.977 -14.452 -16.043 1.00 11.23 ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -32.984 -13.380 -16.111 1.00 11.43 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.433 -12.944 -14.737 1.00 11.81 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.238 -13.649 -13.714 1.00 12.80 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.163 -13.805 -16.939 1.00 14.20 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.981 -14.930 -16.415 1.00 17.02 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.837 -14.915 -15.352 1.00 16.93 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.118 -16.191 -17.041 1.00 18.17 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.511 -16.090 -15.275 1.00 20.70 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.085 -16.894 -16.293 1.00 17.83 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.512 -16.782 -18.147 1.00 17.99 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.463 -18.181 -16.626 1.00 21.15 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.929 -18.039 -18.492 1.00 19.88 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.884 -18.712 -17.749 1.00 19.45 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.028 -11.734 -14.756 1.00 11.99 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.800 -11.185 -13.640 1.00 12.62 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.263 -11.183 -14.060 1.00 12.44 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.580 -10.691 -15.149 1.00 12.22 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.334 -9.778  -13.305 1.00 12.55 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.165 -9.011  -12.272 1.00 12.98 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.159 -9.716  -10.914 1.00 13.15 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.708 -7.580  -12.171 1.00 15.21 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.146 -11.612 -13.151 1.00 13.56 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.595 -11.632 -13.398 1.00 14.88 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.321 -11.670 -12.067 1.00 16.38 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.013 -12.583 -11.274 1.00 16.07 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.948 -12.866 -14.223 1.00 19.12 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.400 -13.099 -14.354 1.00 22.49 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.182 -14.059 -13.769 1.00 22.29 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.252 -12.294 -15.151 1.00 21.49 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.462 -13.923 -14.205 1.00 22.56 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.543 -12.836 -15.027 1.00 19.99 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.045 -11.193 -15.971 1.00 20.87 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.633 -12.314 -15.694 1.00 27.03 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.130 -10.650 -16.609 1.00 26.33 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.408 -11.185 -16.452 1.00 25.58 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.181 -10.671 -11.799 1.00 15.73 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.005 -10.680 -10.552 1.00 16.51 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.138 -10.884 -9.328  1.00 17.41 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.479 -11.744 -8.433  1.00 19.54 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.129 -11.705 -10.675 1.00 18.55 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.074 -11.367 -11.828 1.00 19.12 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.361 -12.147 -11.879 1.00 22.35 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.297 -11.803 -12.629 1.00 24.13 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.402 -13.228 -11.130 1.00 19.76 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.111 -10.076 -9.195  1.00 17.53 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.298 -10.023 -7.973  1.00 21.82 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.512 -11.319 -7.719  1.00 21.22 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.922 -11.428 -6.618  1.00 29.16 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.250 -9.814  -6.792  1.00 26.42 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.659 -9.027  -5.667  1.00 36.02 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.671 -8.297  -5.918  1.00 42.92 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.218 -9.140  -4.533  1.00 50.06 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.402 -12.214 -8.693  1.00 18.41 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.493 -13.388 -8.560  1.00 19.55 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.523 -13.479 -9.752  1.00 17.30 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.912 -13.159 -10.934 1.00 15.85 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.300 -14.622 -8.277  1.00 25.84 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.839 -15.170 -9.454  1.00 35.92 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.313 -13.947 -9.486  1.00 14.69 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.307 -14.203 -10.561 1.00 13.38 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.278 -15.697 -10.817 1.00 12.93 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.273 -16.490 -9.856  1.00 13.28 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.948 -13.684 -10.119 1.00 13.28 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.907 -12.182 -9.895  1.00 14.26 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.132 -11.643 -8.645  1.00 15.56 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.543 -11.318 -10.904 1.00 13.44 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.051 -10.276 -8.415  1.00 15.82 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.481 -9.953  -10.693 1.00 14.05 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.722 -9.427  -9.444  1.00 14.99 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.693 -8.078  -9.201  1.00 15.36 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.252 -16.104 -12.088 0.25 13.18 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.255 -16.085 -12.094 0.25 13.08 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.244 -17.538 -12.470 0.25 13.54 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.271 -17.502 -12.532 0.25 13.33 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.337 -17.770 -13.675 0.25 12.39 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.215 -17.717 -13.617 0.25 12.15 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.268 -16.907 -14.558 0.25 12.02 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.866 -16.767 -14.333 0.25 11.53 ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.650 -18.042 -12.777 0.25 14.90 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.649 -17.905 -13.054 0.25 14.69 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.593 -17.923 -11.592 0.25 16.92 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.764 -17.731 -12.032 0.25 16.86 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.031 -18.276 -11.913 0.25 19.13 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.894 -18.897 -11.068 0.25 18.18 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.512 -17.847 -12.977 0.25 20.85 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.572 -20.037 -11.460 0.25 22.60 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.668 -18.980 -11.095 0.25 19.70 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.325 -18.665 -9.942  0.25 23.60 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.712 -18.945 -13.717 1.00 12.23 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.947 -19.379 -14.892 1.00 12.09 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.883 -20.134 -15.842 1.00 12.97 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.738 -20.942 -15.428 1.00 13.03 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.751 -20.239 -14.497 1.00 13.40 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.703 -19.879 -17.133 1.00 12.93 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.504 -20.449 -18.236 1.00 13.09 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.170 -21.892 -18.500 1.00 14.47 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.823 -22.245 -19.587 1.00 16.20 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.212 -22.746 -17.506 1.00 16.33 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.167 -24.205 -17.724 1.00 17.94 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.598 -24.703 -17.972 1.00 18.52 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.539 -23.930 -17.775 1.00 21.33 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.513 -24.836 -16.506 1.00 16.18 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.214 -24.374 -15.342 1.00 15.99 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.055 -24.544 -16.337 1.00 17.34 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.778 -25.982 -18.309 1.00 21.46 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.132 -26.551 -18.474 1.00 24.98 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.314 -27.730 -17.520 1.00 24.79 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.692 -28.773 -17.687 1.00 27.82 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.393 -26.948 -19.906 1.00 30.20 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.738 -27.401 -20.010 1.00 33.17 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.081 -27.574 -16.428 1.00 24.09 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.744 -26.324 -16.071 1.00 23.70 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.766 -25.335 -15.423 1.00 21.29 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.618 -25.688 -15.154 1.00 19.50 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.786 -26.773 -15.050 1.00 26.74 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.077 -27.912 -14.320 1.00 25.57 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.265 -28.619 -15.397 1.00 25.56 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.224 -24.118 -15.205 1.00 20.68 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.356 -23.006 -14.753 1.00 19.31 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.823 -23.258 -13.338 1.00 17.05 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.463 -23.957 -12.552 1.00 17.38 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.037 -21.640 -14.887 1.00 23.04 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.105 -21.308 -13.873 1.00 28.57 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.487 -21.614 -14.383 1.00 39.26 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.693 -22.532 -15.183 1.00 47.53 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.457 -20.889 -13.851 1.00 46.22 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.673 -22.670 -13.039 1.00 14.85 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.934 -22.824 -11.781 1.00 13.98 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.990 -21.515 -10.991 1.00 13.96 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.505 -20.474 -11.499 1.00 14.35 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.509 -23.294 -12.058 1.00 14.06 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.591 -24.534 -12.733 1.00 14.31 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.724 -23.476 -10.791 1.00 15.07 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.396 -21.574 -9.731  1.00 14.46 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.316 -20.443 -8.788  1.00 14.45 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.879 -19.993 -8.560  1.00 14.73 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -30.999 -20.843 -8.251  1.00 17.04 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.980 -20.882 -7.464  1.00 18.03 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.339 -21.188 -7.747  1.00 21.69 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.805 -19.847 -6.386  1.00 22.20 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.608 -18.693 -8.660  1.00 13.45 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.296 -18.087 -8.348  1.00 13.05 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.392 -17.495 -6.934  1.00 16.82 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.514 -17.195 -6.450  1.00 20.58 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.905 -17.020 -9.387  1.00 13.72 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.803 -17.560 -10.815 1.00 12.56 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.589 -16.462 -11.823 1.00 12.84 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.716 -18.625 -10.947 1.00 13.68 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.271 -17.406 -6.246  1.00 16.14 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.161 -16.920 -4.857  1.00 15.73 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.319 -15.661 -4.905  1.00 16.98 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.072 -15.739 -4.879  1.00 22.48 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.496 -18.017 -4.021  1.00 17.07 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.284 -19.296 -3.983  1.00 18.91 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -29.002 -20.396 -4.807  1.00 22.01 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.371 -19.638 -3.256  1.00 20.82 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.912 -21.339 -4.573  1.00 23.58 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.708 -20.932 -3.590  1.00 20.63 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.954 -14.522 -4.997  1.00 19.91 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.238 -13.232 -5.139  1.00 21.01 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.579 -12.391 -3.889  1.00 21.77 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.749 -12.136 -3.661  1.00 28.45 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.643 -12.559 -6.462  1.00 22.55 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.187 -13.408 -7.670  1.00 21.35 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.076 -11.148 -6.435  1.00 27.82 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.311 -12.723 -9.022  1.00 22.70 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.582 -12.052 -3.095  1.00 25.11 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.792 -11.246 -1.851  1.00 27.13 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.800 -9.749  -2.212  1.00 23.92 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.574 -8.989  -1.600  1.00 25.22 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.718 -11.671 -0.839  1.00 31.91 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.723 -10.879 0.473   1.00 44.57 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -27.998 -10.981 1.292   1.00 51.51 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.770 -11.937 1.197   1.00 58.03 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.244 -9.968  2.112   1.00 55.35 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -26.997 -9.342  -3.181  1.00 22.54 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.867 -7.912  -3.613  1.00 20.45 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.437 -7.736  -5.022  1.00 21.28 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.820 -8.214  -5.974  1.00 18.80 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.400 -7.469  -3.575  1.00 22.45 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.202 -6.046  -4.074  1.00 23.16 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.791 -7.619  -2.190  1.00 24.29 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.654 -7.175  -5.216  1.00 19.51 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.255 -7.075  -6.549  1.00 19.98 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.273 -6.389  -7.472  1.00 19.53 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.767 -5.338  -7.164  1.00 18.47 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.523 -6.238  -6.280  1.00 22.72 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.902 -6.687  -4.862  1.00 22.62 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.581 -6.706  -4.156  1.00 22.77 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.889 -7.004  -8.600  1.00 16.59 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.876 -6.418  -9.467  1.00 16.08 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.358 -5.201  -10.269 1.00 15.01 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.457 -5.274  -10.803 1.00 16.56 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.453 -7.583  -10.381 1.00 18.70 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.573 -8.552  -10.317 1.00 19.89 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.252 -8.387  -8.979  1.00 16.97 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.492 -4.206  -10.397 1.00 15.67 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.709 -3.080  -11.343 1.00 16.70 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.925 -3.343  -12.632 1.00 15.23 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.267 -2.782  -13.680 1.00 14.11 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.304 -1.743  -10.762 1.00 20.32 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.387 -1.290  -9.377  1.00 26.55 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.848 -4.143  -12.584 0.25 15.18 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.945 -4.247  -12.552 0.25 15.70 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.091 -4.547  -13.807 0.25 15.45 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.052 -4.593  -13.684 0.25 16.71 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.700 -6.027  -13.699 0.25 15.01 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.796 -6.103  -13.651 0.25 15.72 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.282 -6.469  -12.609 0.25 13.54 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.648 -6.678  -12.540 0.25 13.97 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.816 -3.732  -14.065 0.25 17.21 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.762 -3.775  -13.605 0.25 19.57 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.040 -2.247  -14.311 0.25 18.57 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -22.981 -2.300  -13.888 0.25 22.01 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.925 -1.474  -13.021 0.25 20.52 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.734 -1.585  -14.342 0.25 23.53 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.221 -1.885  -12.100 0.25 20.27 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.741 -2.193  -14.749 0.25 29.45 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.639 -0.358  -12.939 0.25 20.05 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.800 -0.271  -14.303 0.25 25.35 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.818 -6.725  -14.832 1.00 14.24 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.652 -8.201  -14.976 1.00 14.26 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.453 -8.381  -15.898 1.00 14.80 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.384 -7.783  -16.993 1.00 13.28 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.921 -8.842  -15.563 1.00 15.17 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.181 -8.659  -14.699 1.00 17.99 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.642 -10.318 -15.867 1.00 15.78 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.203 -9.422  -13.491 1.00 17.08 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.517 -9.241  -15.500 1.00 13.92 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.431 -9.675  -16.384 1.00 13.59 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.711 -11.052 -16.949 1.00 13.89 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.284 -11.917 -16.252 1.00 13.11 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.486 -11.201 -18.260 1.00 13.16 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.738 -12.455 -19.015 1.00 12.55 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.422 -12.942 -19.618 1.00 13.11 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.762 -12.199 -20.307 1.00 13.52 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.788 -12.228 -20.109 1.00 14.39 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.095 -11.763 -19.467 1.00 15.84 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -21.960 -13.482 -20.970 1.00 14.87 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.109 -11.273 -20.426 1.00 19.69 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.044 -14.151 -19.263 1.00 12.82 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.793 -14.806 -19.717 1.00 12.62 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.156 -16.057 -20.512 1.00 12.33 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.930 -16.904 -20.043 1.00 13.15 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.939 -15.214 -18.521 1.00 14.14 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.689 -15.978 -18.893 1.00 14.59 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.654 -15.349 -19.556 1.00 16.56 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.538 -17.309 -18.532 1.00 16.03 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.489 -16.047 -19.851 1.00 19.17 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.400 -18.019 -18.881 1.00 17.44 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.368 -17.373 -19.502 1.00 16.89 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.554 -16.197 -21.685 1.00 12.49 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.736 -17.387 -22.551 1.00 13.11 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.360 -17.976 -22.861 1.00 12.03 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.464 -17.275 -23.310 1.00 13.99 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.468 -17.064 -23.858 1.00 13.14 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.588 -18.317 -24.739 1.00 15.59 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.841 -16.457 -23.583 1.00 14.26 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.184 -19.244 -22.529 1.00 13.17 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.010 -20.031 -23.000 1.00 14.75 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.528 -21.068 -23.989 1.00 12.85 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.167 -22.074 -23.599 1.00 13.54 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.253 -20.619 -21.834 1.00 13.64 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -12.980 -21.351 -22.227 1.00 16.75 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.892 -21.819 -23.379 1.00 17.60 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.160 -21.537 -21.278 1.00 20.35 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.321 -20.787 -25.275 1.00 14.37 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.883 -21.631 -26.352 1.00 13.37 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.351 -23.079 -26.273 1.00 15.58 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.103 -24.019 -26.211 1.00 16.25 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.636 -21.012 -27.727 1.00 14.27 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.586 -21.605 -28.735 1.00 14.17 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.408 -22.891 -29.238 1.00 14.56 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.697 -20.904 -29.183 1.00 14.32 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.325 -23.471 -30.090 1.00 15.29 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.622 -21.484 -30.030 1.00 13.52 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.419 -22.757 -30.532 1.00 14.54 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.318 -23.353 -31.374 1.00 14.79 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.045 -23.194 -26.154 1.00 16.33 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.414 -24.539 -26.203 1.00 17.05 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.844 -25.332 -24.985 1.00 17.14 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.155 -26.536 -25.135 1.00 19.84 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.901 -24.428 -26.331 1.00 19.27 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.458 -24.271 -27.792 1.00 24.79 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.812 -22.921 -28.323 1.00 27.07 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.094 -22.823 -29.485 1.00 25.45 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.868 -21.970 -27.501 1.00 29.48 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.888 -24.712 -23.803 1.00 15.79 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.253 -25.404 -22.549 1.00 17.42 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.752 -25.700 -22.465 1.00 16.96 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.153 -26.557 -21.646 1.00 18.46 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.791 -24.579 -21.377 1.00 19.18 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.599 -25.050 -23.258 1.00 13.75 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.040 -25.231 -23.171 1.00 13.39 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.586 -24.583 -21.903 1.00 13.34 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.396 -25.260 -21.192 1.00 13.64 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.180 -23.361 -21.591 1.00 13.87 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.590 -22.655 -20.342 1.00 11.99 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.194 -21.292 -20.658 1.00 11.97 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.605 -20.514 -21.438 1.00 13.72 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.371 -22.490 -19.424 1.00 13.80 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.635 -21.538 -18.260 1.00 15.01 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.905 -23.855 -18.947 1.00 14.97 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.285 -20.971 -19.969 1.00 12.04 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.840 -19.591 -19.906 1.00 10.72 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.069 -19.239 -18.425 1.00 10.73 ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.833 -19.976 -17.741 1.00 11.64 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.169 -19.473 -20.678 1.00 11.78 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.645 -18.016 -20.686 1.00 11.50 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.035 -20.021 -22.073 1.00 12.16 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.411 -18.195 -17.955 1.00 11.05 ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.505 -17.748 -16.557 1.00 11.83 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -20.986 -16.306 -16.459 1.00 11.50 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.675 -15.475 -17.304 1.00 12.76 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.167 -17.932 -15.866 1.00 12.20 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.807 -19.324 -15.748 1.00 12.42 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.680 -16.040 -15.364 1.00 11.09 ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.305 -14.744 -15.049 1.00 11.34 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.748 -14.273 -13.715 1.00 12.47 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.775 -15.073 -12.737 1.00 11.88 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.840 -14.868 -15.027 1.00 10.86 ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.412 -15.271 -16.352 1.00 11.33 ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.455 -16.611 -16.727 1.00 11.25 ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.886 -14.305 -17.228 1.00 11.87 ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -24.982 -16.970 -17.968 1.00 11.27 ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.420 -14.679 -18.462 1.00 11.50 ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.449 -16.008 -18.843 1.00 10.95 ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.409 -12.992 -13.647 1.00 12.67 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.753 -12.367 -12.473 1.00 13.49 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.544 -11.129 -12.043 1.00 15.35 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.025 -10.360 -12.876 1.00 14.32 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.282 -12.077 -12.737 1.00 13.95 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.483 -13.324 -13.006 1.00 14.01 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.011 -14.102 -11.971 1.00 14.74 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.285 -13.785 -14.284 1.00 15.07 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.347 -15.294 -12.212 1.00 14.86 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.602 -14.961 -14.543 1.00 14.82 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.084 -15.705 -13.503 1.00 16.31 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.450 -16.898 -13.769 1.00 17.39 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.578 -10.877 -10.737 1.00 15.22 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.285 -9.716  -10.122 1.00 14.74 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.249 -8.609  -9.943  1.00 15.42 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.481 -8.635  -8.962  1.00 16.45 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.936 -10.147 -8.811  1.00 15.06 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.738 -9.043  -8.141  1.00 14.52 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.574 -7.876  -8.506  1.00 16.55 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.639 -9.440  -7.286  1.00 15.20 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.198 -7.617  -10.821 1.00 15.56 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.110 -6.613  -10.807 1.00 16.68 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.369 -5.724  -9.568  1.00 17.77 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.387 -5.256  -8.955  1.00 20.37 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.080 -5.823  -12.113 1.00 17.60 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.915 -6.711  -13.362 1.00 17.52 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.024 -4.732  -12.076 1.00 19.85 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.883 -7.793  -13.208 1.00 22.25 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.623 -5.529  -9.196  1.00 17.13 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.015 -4.668  -8.027  1.00 18.17 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.446 -5.268  -6.737  1.00 21.22 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.027 -4.478  -5.868  1.00 24.64 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.546 -4.534  -7.961  1.00 17.59 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -23.948 -4.051  -9.242  1.00 18.31 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -23.949 -3.559  -6.871  1.00 19.95 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.376 -6.592  -6.640  1.00 20.03 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.880 -7.367  -5.463  1.00 21.15 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.462 -7.910  -5.710  1.00 22.37 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.260 -9.103  -5.508  1.00 21.90 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.913 -8.405  -5.092  1.00 20.10 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.543 -9.190  -3.863  1.00 26.42 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.126 -8.538  -2.896  1.00 24.70 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.677 -10.438 -3.906  1.00 25.60 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.535 -7.069  -6.171  1.00 22.28 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.085 -7.387  -6.264  1.00 26.85 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.889 -8.579  -7.217  1.00 26.44 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -15.949 -9.348  -7.015  1.00 28.49 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.490 -7.757  -4.898  1.00 31.79 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.754 -6.804  -3.778  1.00 40.26 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.230 -5.524  -3.755  1.00 48.85 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.428 -6.968  -2.616  1.00 46.55 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.604 -4.922  -2.641  1.00 52.60 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.339 -5.792  -1.919  1.00 49.98 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.761 -8.759  -8.211  1.00 20.25 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.531 -9.796  -9.231  1.00 17.58 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.940 -11.182 -8.779  1.00 16.30 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.406 -12.129 -9.358  1.00 16.62 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.783 -11.323 -7.767  1.00 16.22 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.163 -12.640 -7.192  1.00 15.13 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.857 -13.503 -8.257  1.00 15.65 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.625 -12.977 -9.079  1.00 16.16 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.029 -12.539 -5.965  1.00 17.68 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.218 -11.771 -6.152  1.00 17.95 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.632 -14.799 -8.240  1.00 14.55 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.295 -15.691 -9.238  1.00 13.76 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.790 -15.748 -9.003  1.00 13.23 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.293 -15.961 -7.846  1.00 14.52 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.709 -17.106 -9.129  1.00 13.33 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.248 -18.156 -10.110 1.00 13.45 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.848 -17.870 -11.541 1.00 14.05 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.713 -19.556 -9.707  1.00 15.03 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.543 -15.599 -10.103 1.00 11.65 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -23.993 -15.832 -10.132 1.00 13.01 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.300 -17.258 -10.596 1.00 11.82 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.154 -17.939 -9.992  1.00 12.29 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.677 -14.758 -11.006 1.00 12.45 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.498 -13.360 -10.458 1.00 12.84 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.160 -15.081 -11.172 1.00 12.32 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.934 -12.250 -11.410 1.00 13.22 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.765 -17.652 -11.753 1.00 12.12 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.148 -18.956 -12.341 1.00 10.90 ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.110 -19.345 -13.385 1.00 10.95 ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.639 -18.488 -14.145 1.00 11.33 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.524 -18.905 -13.038 1.00 12.35 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.068 -20.252 -13.378 1.00 11.81 ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.705 -21.051 -12.436 1.00 12.40 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.937 -20.769 -14.654 1.00 11.46 ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.156 -22.317 -12.748 1.00 13.73 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.383 -22.037 -14.979 1.00 12.61 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.977 -22.829 -14.014 1.00 12.96 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.391 -24.099 -14.265 1.00 14.87 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.855 -20.651 -13.484 1.00 11.45 ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -21.996 -21.264 -14.534 1.00 11.91 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.768 -22.389 -15.227 1.00 12.58 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.171 -23.371 -14.568 1.00 12.83 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.674 -21.813 -13.964 1.00 13.27 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.876 -20.701 -13.588 1.00 12.89 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.908 -22.651 -14.971 1.00 14.60 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -22.986 -22.231 -16.536 1.00 12.55 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.374 -23.337 -17.456 1.00 12.26 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.079 -24.025 -17.871 1.00 13.31 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.187 -23.387 -18.430 1.00 12.61 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.035 -22.808 -18.724 1.00 13.10 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.411 -22.219 -18.558 1.00 11.69 ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.563 -20.866 -18.293 1.00 11.94 ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.547 -22.975 -18.777 1.00 12.40 ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.826 -20.315 -18.196 1.00 12.33 ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.813 -22.411 -18.680 1.00 12.28 ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.938 -21.069 -18.437 1.00 11.23 ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -21.978 -25.316 -17.575 1.00 13.91 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.833 -26.085 -18.075 1.00 15.34 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.316 -27.250 -18.924 1.00 14.97 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.521 -27.516 -19.000 1.00 17.07 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -19.981 -26.496 -16.908 1.00 17.59 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.628 -27.478 -16.148 1.00 21.05 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.365 -27.915 -19.591 1.00 17.28 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.702 -28.980 -20.583 1.00 18.67 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.654 -28.428 -21.650 1.00 18.53 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.570 -29.174 -22.120 1.00 18.94 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.375 -30.186 -19.918 1.00 23.30 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.703 -30.667 -18.659 1.00 28.74 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.350 -31.957 -18.193 1.00 38.36 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.397 -31.897 -17.510 1.00 42.02 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.864 -33.021 -18.613 1.00 45.42 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.464 -27.165 -22.051 1.00 16.06 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.372 -26.542 -23.028 1.00 15.13 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.132 -27.185 -24.398 1.00 16.48 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.928 -27.369 -24.766 1.00 18.37 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.158 -25.049 -23.175 1.00 14.42 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.561 -24.113 -21.677 1.00 15.10 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.203 -27.427 -25.137 1.00 15.89 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.087 -27.932 -26.532 1.00 17.62 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.509 -26.781 -27.446 1.00 15.41 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.677 -26.669 -27.847 1.00 17.67 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.854 -29.261 -26.729 1.00 20.09 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.670 -29.767 -28.165 1.00 21.36 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.356 -30.299 -25.729 1.00 21.56 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.584 -25.883 -27.774 1.00 13.40 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.897 -24.646 -28.534 1.00 13.85 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.467 -25.006 -29.899 1.00 16.59 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.464 -24.416 -30.328 1.00 15.82 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.698 -23.718 -28.550 1.00 15.07 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.275 -23.203 -27.184 1.00 13.14 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.207 -22.710 -26.259 1.00 13.95 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.945 -23.231 -26.784 1.00 15.33 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.789 -22.219 -25.023 1.00 14.28 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.532 -22.714 -25.571 1.00 16.25 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.456 -22.233 -24.671 1.00 14.08 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.789 -25.915 -30.602 1.00 14.73 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.274 -26.472 -31.883 1.00 15.39 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.373 -25.388 -32.972 1.00 15.27 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.176 -25.573 -33.936 1.00 17.14 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.552 -27.220 -31.694 1.00 15.56 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.585 -24.337 -32.892 1.00 15.78 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.566 -23.242 -33.870 1.00 16.65 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.909 -21.989 -33.355 1.00 15.31 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.492 -21.948 -32.184 1.00 15.17 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.797 -20.969 -34.212 1.00 14.48 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.336 -19.660 -33.781 1.00 14.02 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.300 -19.118 -32.711 1.00 14.25 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.497 -19.381 -32.754 1.00 14.40 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.333 -18.774 -35.022 1.00 14.59 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.479 -19.790 -36.173 1.00 14.50 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.218 -20.966 -35.628 1.00 14.93 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.725 -18.401 -31.765 1.00 13.37 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.503 -17.754 -30.673 1.00 12.70 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.635 -16.264 -30.947 1.00 14.41 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.678 -15.622 -31.413 1.00 14.72 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.816 -17.973 -29.324 1.00 13.26 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.828 -19.401 -28.777 1.00 13.31 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -20.973 -19.468 -27.542 1.00 14.97 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.259 -19.878 -28.554 1.00 14.39 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.761 -15.690 -30.518 1.00 13.07 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.969 -14.237 -30.510 1.00 12.70 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.388 -13.760 -29.132 1.00 11.29 ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.154 -14.453 -28.434 1.00 11.71 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.031 -13.881 -31.549 1.00 14.12 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.520 -14.287 -32.936 1.00 16.93 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.382 -13.877 -34.078 1.00 19.48 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.475 -12.433 -34.175 1.00 17.78 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.188 -11.815 -35.101 1.00 19.10 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.807 -12.515 -36.026 1.00 18.78 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.272 -10.498 -35.094 1.00 17.07 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.939 -12.559 -28.708 1.00 11.58 ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.467 -11.951 -27.467 1.00 11.44 ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -25.988 -11.802 -27.610 1.00 10.98 ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.487 -11.467 -28.687 1.00 11.73 ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.754 -10.602 -27.383 1.00 11.68 ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.492 -10.785 -28.228 1.00 12.62 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.936 -11.694 -29.365 1.00 13.04 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.736 -12.073 -26.522 1.00 10.13 ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.209 -12.117 -26.518 1.00 10.77 ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.752 -11.172 -25.447 1.00 10.93 ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.215 -11.159 -24.315 1.00 10.23 ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.674 -13.532 -26.235 1.00 11.72 ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.169 -13.636 -26.063 1.00 12.21 ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -30.999 -13.609 -27.179 1.00 12.19 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.757 -13.658 -24.800 1.00 12.14 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.380 -13.704 -27.007 1.00 12.55 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.129 -13.734 -24.641 1.00 11.90 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.930 -13.766 -25.753 1.00 12.53 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.788 -10.402 -25.786 1.00 10.96 ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.370 -9.392  -24.883 1.00 10.65 ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.891 -9.476  -24.978 1.00 10.93 ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.424 -9.563  -26.092 1.00 11.26 ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.915 -7.972  -25.241 1.00 11.54 ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.424 -7.815  -25.379 1.00 11.00 ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.765 -8.153  -26.560 1.00 11.33 ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.647 -7.402  -24.302 1.00 12.67 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.385 -8.070  -26.681 1.00 11.02 ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.288 -7.238  -24.451 1.00 12.48 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.650 -7.607  -25.631 1.00 12.33 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.585 -9.267  -23.856 1.00 11.63 ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.048 -9.031  -23.826 1.00 11.07 ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.284 -7.884  -22.837 1.00 10.59 ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.946 -8.040  -21.641 1.00 12.27 ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.836 -10.259 -23.387 1.00 11.88 ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.333 -10.080 -23.473 1.00 13.52 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.837 -9.016  -23.832 1.00 13.80 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.043 -11.166 -23.241 1.00 15.00 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.799 -6.741  -23.325 1.00 10.91 ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.055 -5.590  -22.419 1.00 10.93 ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.310 -5.848  -21.572 1.00 12.71 ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.565 -5.021  -20.649 1.00 12.46 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.143 -4.237  -23.159 1.00 12.58 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.845 -3.920  -23.869 1.00 13.91 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.294 -4.200  -24.144 1.00 13.20 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.125 -6.826  -21.962 1.00 12.94 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.400 -7.090  -21.259 1.00 13.91 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.510 -6.154  -21.675 1.00 13.03 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.284 -5.093  -22.257 1.00 12.96 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.745 -6.587  -21.423 1.00 14.31 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.935 -5.736  -21.642 1.00 13.86 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -41.987 -4.656  -20.577 1.00 12.81 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.258 -4.705  -19.567 1.00 12.52 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.228 -6.554  -21.705 1.00 13.82 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.345 -7.482  -22.888 1.00 15.98 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.730 -7.014  -24.144 1.00 18.16 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.067 -8.827  -22.731 1.00 17.03 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.793 -7.883  -25.240 1.00 18.10 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.174 -9.683  -23.814 1.00 18.06 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.576 -9.218  -25.032 1.00 17.59 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.849 -3.696  -20.810 1.00 13.63 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.050 -2.584  -19.858 1.00 12.74 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.564 -2.424  -19.658 1.00 13.34 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.061 -1.271  -19.738 1.00 14.88 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.387 -1.302  -20.334 1.00 13.24 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.417 -0.202  -19.297 1.00 14.15 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.407 -0.476  -18.105 1.00 14.29 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.370 1.042   -19.761 1.00 15.82 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.249 -3.479  -19.252 1.00 14.43 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.687 -3.409  -18.866 1.00 13.62 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.850 -2.558  -17.604 1.00 14.28 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.923 -1.929  -17.400 1.00 15.43 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.238 -4.828  -18.659 1.00 14.36 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.326 -5.668  -19.907 1.00 16.05 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.289 -5.407  -20.872 1.00 21.48 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.500 -6.766  -20.086 1.00 19.73 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.347 -6.133  -22.057 1.00 21.66 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.561 -7.506  -21.269 1.00 19.49 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.489 -7.202  -22.237 1.00 21.75 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.562 -7.988  -23.375 1.00 27.96 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.873 -2.574  -16.700 1.00 12.94 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -45.982 -1.987  -15.339 1.00 14.35 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.699 -0.485  -15.388 1.00 14.35 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -45.965 0.187   -14.363 1.00 15.51 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.021 -2.622  -14.366 1.00 14.42 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.681 -2.367  -14.828 1.00 15.13 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.010 -0.005  -16.423 1.00 13.50 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.466 1.367   -16.399 1.00 13.81 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.217 1.499   -15.560 1.00 14.72 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.717 2.626   -15.424 1.00 17.92 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.712 0.398   -14.991 1.00 13.78 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.519 0.424   -14.141 1.00 13.06 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.295 -0.194  -14.844 1.00 14.29 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.244 -0.284  -14.173 1.00 15.29 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.432 -0.612  -16.097 1.00 12.35 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.323 -1.303  -16.787 1.00 12.64 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.872 -0.598  -18.080 1.00 12.67 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.345 -1.261  -18.965 1.00 13.34 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.690 -2.761  -17.084 1.00 13.20 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.475 -3.610  -17.412 1.00 12.40 ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.437 -3.439  -16.785 1.00 12.55 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.631 -4.516  -18.350 1.00 12.93 ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.954 0.720   -18.171 1.00 12.84 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.556 1.455   -19.393 1.00 13.51 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.044 1.572   -19.546 1.00 13.25 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.590 1.889   -20.688 1.00 14.78 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.162 2.860   -19.350 1.00 14.06 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.279 1.406   -18.473 1.00 13.77 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.833 1.706   -18.518 1.00 13.36 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.139 0.805   -19.530 1.00 13.38 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.534 -0.337  -19.763 1.00 13.43 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.190 1.511   -17.166 1.00 13.31 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.048 1.313   -20.143 1.00 13.02 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.305 0.558   -21.152 1.00 12.50 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.392 -0.534  -20.550 1.00 11.88 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.033 -0.477  -19.351 1.00 13.34 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.389 1.626   -21.783 1.00 13.79 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.170 2.643   -20.711 1.00 15.45 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.481 2.655   -19.918 1.00 14.91 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -30.992 -1.486  -21.410 1.00 12.68 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.745 -2.260  -21.228 1.00 12.74 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.622 -1.437  -21.872 1.00 12.25 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.828 -0.936  -23.004 1.00 14.59 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.908 -3.614  -21.888 1.00 12.72 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.948 -4.553  -21.263 1.00 13.28 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.086 -5.828  -22.096 1.00 13.55 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.563 -4.915  -19.826 1.00 15.03 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.473 -1.362  -21.201 1.00 13.01 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.312 -0.623  -21.753 1.00 13.69 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.091 -1.506  -21.714 1.00 14.85 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.774 -2.025  -20.613 1.00 14.30 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.054 0.662   -20.966 1.00 15.62 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.217 1.592   -20.745 1.00 18.93 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.782 2.899   -20.099 1.00 23.95 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.941 3.786   -19.711 1.00 28.40 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.481 4.989   -18.968 1.00 33.13 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.364 -1.575  -22.809 1.00 14.97 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.026 -2.224  -22.801 1.00 15.29 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.032 -1.271  -22.125 1.00 16.38 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.899 -0.108  -22.585 1.00 19.31 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.642 -2.622  -24.224 1.00 16.00 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.395 -3.865  -24.678 1.00 16.19 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.579 -3.979  -26.185 1.00 21.25 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.773 -5.138  -24.079 1.00 15.10 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.386 -1.722  -21.058 1.00 16.47 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.470 -0.885  -20.225 1.00 18.77 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.111 -0.796  -20.881 1.00 21.88 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.620 -1.752  -21.461 1.00 21.06 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.200 -1.511  -18.873 1.00 20.53 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.659 -2.002  -17.966 1.00 22.96 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.432 0.358   -20.755 1.00 26.01 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.123 0.524   -21.347 1.00 30.46 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.136 -0.387  -20.619 1.00 29.83 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.319 -0.633  -19.424 1.00 30.17 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.858 2.030   -21.159 1.00 30.67 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.668 2.402   -19.955 1.00 32.16 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.924 1.566   -20.064 1.00 28.13 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.163 -0.848  -21.400 1.00 34.64 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.914 -1.565  -21.041 1.00 40.36 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.026 -0.685  -20.158 1.00 43.14 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.307 -1.263  -19.333 1.00 47.71 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.195 -1.887  -22.357 1.00 39.98 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.578 -3.568  -22.878 1.00 30.30 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.266 -3.158  -23.180 1.00 22.54 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.442 -3.935  -24.013 1.00 38.49 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.297 -3.019  -25.067 1.00 47.70 ? 201 EDO B O2  1 
HETATM 1571 N N1  . GX4 C 3 .   ? -35.995 6.553   -21.391 0.76 48.80 ? 202 GX4 B N1  1 
HETATM 1572 C C4  . GX4 C 3 .   ? -35.030 4.788   -16.734 0.76 43.94 ? 202 GX4 B C4  1 
HETATM 1573 C C5  . GX4 C 3 .   ? -34.489 4.303   -15.556 0.76 43.73 ? 202 GX4 B C5  1 
HETATM 1574 C C6  . GX4 C 3 .   ? -36.233 5.662   -19.160 0.76 44.78 ? 202 GX4 B C6  1 
HETATM 1575 C C7  . GX4 C 3 .   ? -36.554 5.451   -20.619 0.76 47.64 ? 202 GX4 B C7  1 
HETATM 1576 C C8  . GX4 C 3 .   ? -34.535 6.509   -21.324 0.76 46.68 ? 202 GX4 B C8  1 
HETATM 1577 C C10 . GX4 C 3 .   ? -36.807 7.432   -22.036 0.76 53.12 ? 202 GX4 B C10 1 
HETATM 1578 C C13 . GX4 C 3 .   ? -36.980 9.026   -24.017 0.76 54.63 ? 202 GX4 B C13 1 
HETATM 1579 O O   . GX4 C 3 .   ? -38.024 7.257   -22.005 0.76 55.85 ? 202 GX4 B O   1 
HETATM 1580 C C11 . GX4 C 3 .   ? -36.283 8.601   -22.769 0.76 53.73 ? 202 GX4 B C11 1 
HETATM 1581 C C12 . GX4 C 3 .   ? -37.131 9.827   -22.794 0.76 55.71 ? 202 GX4 B C12 1 
HETATM 1582 C C9  . GX4 C 3 .   ? -34.040 6.606   -19.891 0.76 44.94 ? 202 GX4 B C9  1 
HETATM 1583 N N   . GX4 C 3 .   ? -34.788 5.783   -18.919 0.76 42.39 ? 202 GX4 B N   1 
HETATM 1584 C C3  . GX4 C 3 .   ? -34.214 5.280   -17.762 0.76 40.94 ? 202 GX4 B C3  1 
HETATM 1585 C C2  . GX4 C 3 .   ? -32.826 5.271   -17.553 0.76 40.34 ? 202 GX4 B C2  1 
HETATM 1586 C C1  . GX4 C 3 .   ? -32.285 4.770   -16.377 0.76 41.93 ? 202 GX4 B C1  1 
HETATM 1587 C C   . GX4 C 3 .   ? -33.132 4.307   -15.410 0.76 42.43 ? 202 GX4 B C   1 
HETATM 1588 F F   . GX4 C 3 .   ? -32.604 3.815   -14.255 0.76 47.46 ? 202 GX4 B F   1 
HETATM 1589 N N1  . EPE D 4 .   ? -38.296 -15.736 -19.968 1.00 46.71 ? 203 EPE B N1  1 
HETATM 1590 C C2  . EPE D 4 .   ? -38.663 -14.653 -20.905 1.00 42.49 ? 203 EPE B C2  1 
HETATM 1591 C C3  . EPE D 4 .   ? -38.081 -13.314 -20.515 1.00 41.53 ? 203 EPE B C3  1 
HETATM 1592 N N4  . EPE D 4 .   ? -38.341 -12.964 -19.112 1.00 37.19 ? 203 EPE B N4  1 
HETATM 1593 C C5  . EPE D 4 .   ? -37.879 -14.036 -18.229 1.00 36.76 ? 203 EPE B C5  1 
HETATM 1594 C C6  . EPE D 4 .   ? -38.576 -15.324 -18.582 1.00 40.44 ? 203 EPE B C6  1 
HETATM 1595 C C7  . EPE D 4 .   ? -37.849 -11.641 -18.715 1.00 31.90 ? 203 EPE B C7  1 
HETATM 1596 C C8  . EPE D 4 .   ? -37.805 -10.595 -19.829 1.00 31.72 ? 203 EPE B C8  1 
HETATM 1597 O O8  . EPE D 4 .   ? -39.014 -10.476 -20.567 1.00 28.57 ? 203 EPE B O8  1 
HETATM 1598 C C9  . EPE D 4 .   ? -39.043 -16.964 -20.288 1.00 50.77 ? 203 EPE B C9  1 
HETATM 1599 C C10 . EPE D 4 .   ? -38.167 -18.143 -20.678 1.00 54.28 ? 203 EPE B C10 1 
HETATM 1600 S S   . EPE D 4 .   ? -39.039 -19.690 -20.697 1.00 55.00 ? 203 EPE B S   1 
HETATM 1601 O O1S . EPE D 4 .   ? -38.082 -20.651 -21.167 1.00 63.86 ? 203 EPE B O1S 1 
HETATM 1602 O O2S . EPE D 4 .   ? -40.268 -19.493 -21.416 1.00 52.28 ? 203 EPE B O2S 1 
HETATM 1603 O O3S . EPE D 4 .   ? -39.441 -20.064 -19.245 1.00 50.87 ? 203 EPE B O3S 1 
HETATM 1604 C C1  . EDO E 2 .   ? -50.582 -16.827 -33.096 1.00 38.97 ? 204 EDO B C1  1 
HETATM 1605 O O1  . EDO E 2 .   ? -49.244 -16.391 -33.046 1.00 32.02 ? 204 EDO B O1  1 
HETATM 1606 C C2  . EDO E 2 .   ? -51.105 -17.121 -31.767 1.00 39.27 ? 204 EDO B C2  1 
HETATM 1607 O O2  . EDO E 2 .   ? -51.317 -15.937 -31.057 1.00 45.02 ? 204 EDO B O2  1 
HETATM 1608 S S   . SO4 F 5 .   ? -40.395 -24.680 -26.231 1.00 42.65 ? 205 SO4 B S   1 
HETATM 1609 O O1  . SO4 F 5 .   ? -39.724 -23.696 -27.035 1.00 26.29 ? 205 SO4 B O1  1 
HETATM 1610 O O2  . SO4 F 5 .   ? -41.298 -25.434 -27.042 1.00 47.19 ? 205 SO4 B O2  1 
HETATM 1611 O O3  . SO4 F 5 .   ? -39.417 -25.577 -25.645 1.00 46.91 ? 205 SO4 B O3  1 
HETATM 1612 O O4  . SO4 F 5 .   ? -41.131 -24.035 -25.165 1.00 45.36 ? 205 SO4 B O4  1 
HETATM 1613 O O   . HOH G 6 .   ? -22.697 -1.786  -9.821  1.00 28.09 ? 301 HOH B O   1 
HETATM 1614 O O   . HOH G 6 .   ? -26.815 -28.484 -27.828 1.00 27.43 ? 302 HOH B O   1 
HETATM 1615 O O   . HOH G 6 .   ? -45.690 3.656   -34.083 1.00 23.02 ? 303 HOH B O   1 
HETATM 1616 O O   . HOH G 6 .   ? -38.520 -15.314 -11.747 1.00 38.74 ? 304 HOH B O   1 
HETATM 1617 O O   . HOH G 6 .   ? -29.584 -12.529 -37.746 1.00 22.97 ? 305 HOH B O   1 
HETATM 1618 O O   . HOH G 6 .   ? -40.093 -1.226  -9.872  1.00 34.01 ? 306 HOH B O   1 
HETATM 1619 O O   . HOH G 6 .   ? -15.467 -5.340  -13.806 1.00 31.88 ? 307 HOH B O   1 
HETATM 1620 O O   . HOH G 6 .   ? -44.964 7.397   -24.613 1.00 39.24 ? 308 HOH B O   1 
HETATM 1621 O O   . HOH G 6 .   ? -13.464 -23.546 -31.496 1.00 16.03 ? 309 HOH B O   1 
HETATM 1622 O O   . HOH G 6 .   ? -38.014 2.784   -22.780 1.00 19.70 ? 310 HOH B O   1 
HETATM 1623 O O   . HOH G 6 .   ? -42.223 -11.189 -38.355 1.00 38.26 ? 311 HOH B O   1 
HETATM 1624 O O   . HOH G 6 .   ? -9.572  -18.559 -30.092 1.00 50.62 ? 312 HOH B O   1 
HETATM 1625 O O   . HOH G 6 .   ? -18.656 -22.021 -35.710 1.00 18.65 ? 313 HOH B O   1 
HETATM 1626 O O   . HOH G 6 .   ? -21.014 -6.081  -2.058  1.00 44.38 ? 314 HOH B O   1 
HETATM 1627 O O   . HOH G 6 .   ? -32.972 1.094   -33.424 1.00 21.15 ? 315 HOH B O   1 
HETATM 1628 O O   . HOH G 6 .   ? -38.302 0.592   -11.911 1.00 37.81 ? 316 HOH B O   1 
HETATM 1629 O O   . HOH G 6 .   ? -26.236 3.497   -35.241 1.00 32.51 ? 317 HOH B O   1 
HETATM 1630 O O   . HOH G 6 .   ? -45.455 0.107   -11.805 1.00 24.15 ? 318 HOH B O   1 
HETATM 1631 O O   . HOH G 6 .   ? -35.906 -22.431 -19.499 1.00 27.31 ? 319 HOH B O   1 
HETATM 1632 O O   . HOH G 6 .   ? -13.615 -20.957 -35.145 1.00 34.40 ? 320 HOH B O   1 
HETATM 1633 O O   . HOH G 6 .   ? -47.101 1.324   -25.597 1.00 39.74 ? 321 HOH B O   1 
HETATM 1634 O O   . HOH G 6 .   ? -24.489 -30.960 -21.909 1.00 36.79 ? 322 HOH B O   1 
HETATM 1635 O O   . HOH G 6 .   ? -36.912 -16.408 -39.268 1.00 28.95 ? 323 HOH B O   1 
HETATM 1636 O O   . HOH G 6 .   ? -36.641 -26.113 -23.785 1.00 37.38 ? 324 HOH B O   1 
HETATM 1637 O O   . HOH G 6 .   ? -39.946 -11.634 -22.748 1.00 31.03 ? 325 HOH B O   1 
HETATM 1638 O O   . HOH G 6 .   ? -38.270 3.764   -41.925 1.00 30.77 ? 326 HOH B O   1 
HETATM 1639 O O   . HOH G 6 .   ? -8.894  -13.490 -25.176 1.00 37.64 ? 327 HOH B O   1 
HETATM 1640 O O   . HOH G 6 .   ? -25.243 -14.281 -3.631  1.00 34.82 ? 328 HOH B O   1 
HETATM 1641 O O   . HOH G 6 .   ? -36.583 -23.103 -30.655 1.00 32.83 ? 329 HOH B O   1 
HETATM 1642 O O   . HOH G 6 .   ? -30.802 -6.684  -11.281 1.00 15.42 ? 330 HOH B O   1 
HETATM 1643 O O   . HOH G 6 .   ? -17.601 -21.257 -12.321 1.00 17.90 ? 331 HOH B O   1 
HETATM 1644 O O   . HOH G 6 .   ? -40.966 -9.623  -36.770 1.00 33.13 ? 332 HOH B O   1 
HETATM 1645 O O   . HOH G 6 .   ? -25.877 -22.737 -35.574 1.00 28.83 ? 333 HOH B O   1 
HETATM 1646 O O   . HOH G 6 .   ? -35.786 -19.303 -30.394 1.00 38.28 ? 334 HOH B O   1 
HETATM 1647 O O   . HOH G 6 .   ? -30.210 -24.051 -33.792 1.00 25.45 ? 335 HOH B O   1 
HETATM 1648 O O   . HOH G 6 .   ? -19.348 -4.287  -22.017 1.00 16.68 ? 336 HOH B O   1 
HETATM 1649 O O   . HOH G 6 .   ? -12.677 -21.265 -18.646 1.00 28.56 ? 337 HOH B O   1 
HETATM 1650 O O   . HOH G 6 .   ? -16.123 -19.562 -15.654 1.00 26.71 ? 338 HOH B O   1 
HETATM 1651 O O   . HOH G 6 .   ? -38.724 -2.524  -21.322 1.00 15.42 ? 339 HOH B O   1 
HETATM 1652 O O   . HOH G 6 .   ? -23.218 4.345   -24.661 1.00 27.47 ? 340 HOH B O   1 
HETATM 1653 O O   . HOH G 6 .   ? -17.475 -27.601 -19.523 1.00 20.03 ? 341 HOH B O   1 
HETATM 1654 O O   . HOH G 6 .   ? -49.763 -1.824  -19.389 1.00 30.93 ? 342 HOH B O   1 
HETATM 1655 O O   . HOH G 6 .   ? -18.456 -4.615  -24.683 1.00 17.73 ? 343 HOH B O   1 
HETATM 1656 O O   . HOH G 6 .   ? -38.556 -7.651  -10.738 1.00 17.10 ? 344 HOH B O   1 
HETATM 1657 O O   . HOH G 6 .   ? -10.257 -23.428 -21.708 1.00 31.21 ? 345 HOH B O   1 
HETATM 1658 O O   . HOH G 6 .   ? -10.877 -21.139 -25.071 1.00 28.80 ? 346 HOH B O   1 
HETATM 1659 O O   . HOH G 6 .   ? -47.044 -16.998 -31.568 1.00 17.80 ? 347 HOH B O   1 
HETATM 1660 O O   . HOH G 6 .   ? -32.360 4.678   -32.957 1.00 25.82 ? 348 HOH B O   1 
HETATM 1661 O O   . HOH G 6 .   ? -15.068 -19.724 -37.456 1.00 28.10 ? 349 HOH B O   1 
HETATM 1662 O O   . HOH G 6 .   ? -19.229 -29.759 -15.645 1.00 29.92 ? 350 HOH B O   1 
HETATM 1663 O O   . HOH G 6 .   ? -30.805 -20.357 -21.265 1.00 13.30 ? 351 HOH B O   1 
HETATM 1664 O O   . HOH G 6 .   ? -45.126 -12.344 -26.375 1.00 34.97 ? 352 HOH B O   1 
HETATM 1665 O O   . HOH G 6 .   ? -23.935 1.187   -10.710 1.00 34.26 ? 353 HOH B O   1 
HETATM 1666 O O   . HOH G 6 .   ? -30.690 1.132   -17.028 1.00 25.28 ? 354 HOH B O   1 
HETATM 1667 O O   . HOH G 6 .   ? -37.362 -25.419 -11.240 1.00 39.00 ? 355 HOH B O   1 
HETATM 1668 O O   . HOH G 6 .   ? -17.884 -19.813 -37.453 1.00 33.79 ? 356 HOH B O   1 
HETATM 1669 O O   . HOH G 6 .   ? -34.102 -22.057 -31.240 1.00 19.83 ? 357 HOH B O   1 
HETATM 1670 O O   . HOH G 6 .   ? -26.509 1.976   -11.066 1.00 29.15 ? 358 HOH B O   1 
HETATM 1671 O O   . HOH G 6 .   ? -26.544 -25.720 -16.311 1.00 18.63 ? 359 HOH B O   1 
HETATM 1672 O O   . HOH G 6 .   ? -40.749 -14.475 -8.366  1.00 29.01 ? 360 HOH B O   1 
HETATM 1673 O O   . HOH G 6 .   ? -16.674 -5.590  -9.310  1.00 32.55 ? 361 HOH B O   1 
HETATM 1674 O O   . HOH G 6 .   ? -43.875 -0.663  -24.299 1.00 32.70 ? 362 HOH B O   1 
HETATM 1675 O O   . HOH G 6 .   ? -41.767 1.469   -22.534 1.00 32.43 ? 363 HOH B O   1 
HETATM 1676 O O   . HOH G 6 .   ? -44.998 -7.862  -38.965 1.00 17.68 ? 364 HOH B O   1 
HETATM 1677 O O   . HOH G 6 .   ? -42.249 -4.011  -39.331 1.00 23.41 ? 365 HOH B O   1 
HETATM 1678 O O   . HOH G 6 .   ? -20.933 -16.261 -5.452  1.00 19.27 ? 366 HOH B O   1 
HETATM 1679 O O   . HOH G 6 .   ? -23.168 2.317   -23.049 1.00 30.80 ? 367 HOH B O   1 
HETATM 1680 O O   . HOH G 6 .   ? -28.368 -21.539 -8.803  1.00 21.23 ? 368 HOH B O   1 
HETATM 1681 O O   . HOH G 6 .   ? -26.726 -17.612 -7.719  1.00 17.64 ? 369 HOH B O   1 
HETATM 1682 O O   . HOH G 6 .   ? -27.163 -20.236 -6.903  1.00 18.85 ? 370 HOH B O   1 
HETATM 1683 O O   . HOH G 6 .   ? -45.618 -14.885 -27.375 1.00 37.48 ? 371 HOH B O   1 
HETATM 1684 O O   . HOH G 6 .   ? -27.740 -27.544 -25.706 1.00 32.52 ? 372 HOH B O   1 
HETATM 1685 O O   . HOH G 6 .   ? -19.763 1.777   -30.540 1.00 31.64 ? 373 HOH B O   1 
HETATM 1686 O O   . HOH G 6 .   ? -36.215 -1.825  -33.873 1.00 26.42 ? 374 HOH B O   1 
HETATM 1687 O O   . HOH G 6 .   ? -40.253 -14.423 -31.295 1.00 16.04 ? 375 HOH B O   1 
HETATM 1688 O O   . HOH G 6 .   ? -32.330 -5.003  -12.915 1.00 14.13 ? 376 HOH B O   1 
HETATM 1689 O O   . HOH G 6 .   ? -42.544 -5.853  -12.244 1.00 25.44 ? 377 HOH B O   1 
HETATM 1690 O O   . HOH G 6 .   ? -32.738 -18.205 -37.280 1.00 38.50 ? 378 HOH B O   1 
HETATM 1691 O O   . HOH G 6 .   ? -36.501 -0.979  -22.046 1.00 13.77 ? 379 HOH B O   1 
HETATM 1692 O O   . HOH G 6 .   ? -23.973 -12.349 -6.558  1.00 19.66 ? 380 HOH B O   1 
HETATM 1693 O O   . HOH G 6 .   ? -35.552 -4.758  -42.142 1.00 25.55 ? 381 HOH B O   1 
HETATM 1694 O O   . HOH G 6 .   ? -17.907 -4.312  -5.811  1.00 42.01 ? 382 HOH B O   1 
HETATM 1695 O O   . HOH G 6 .   ? -41.318 -8.512  -13.311 1.00 21.52 ? 383 HOH B O   1 
HETATM 1696 O O   . HOH G 6 .   ? -37.016 0.948   -15.509 1.00 16.91 ? 384 HOH B O   1 
HETATM 1697 O O   . HOH G 6 .   ? -33.411 -14.870 -6.915  1.00 23.97 ? 385 HOH B O   1 
HETATM 1698 O O   . HOH G 6 .   ? -14.474 -16.552 -33.150 1.00 30.13 ? 386 HOH B O   1 
HETATM 1699 O O   . HOH G 6 .   ? -9.295  -20.731 -28.778 1.00 41.39 ? 387 HOH B O   1 
HETATM 1700 O O   . HOH G 6 .   ? -45.923 -4.318  -33.935 1.00 23.95 ? 388 HOH B O   1 
HETATM 1701 O O   . HOH G 6 .   ? -25.714 -27.001 -23.786 1.00 18.72 ? 389 HOH B O   1 
HETATM 1702 O O   . HOH G 6 .   ? -41.093 -8.878  -19.367 1.00 15.29 ? 390 HOH B O   1 
HETATM 1703 O O   . HOH G 6 .   ? -12.782 -18.443 -34.818 1.00 35.91 ? 391 HOH B O   1 
HETATM 1704 O O   . HOH G 6 .   ? -23.975 -26.661 -15.955 1.00 22.41 ? 392 HOH B O   1 
HETATM 1705 O O   . HOH G 6 .   ? -33.515 -1.897  -38.360 1.00 27.52 ? 393 HOH B O   1 
HETATM 1706 O O   . HOH G 6 .   ? -45.641 -19.818 -31.617 1.00 27.85 ? 394 HOH B O   1 
HETATM 1707 O O   . HOH G 6 .   ? -19.004 -29.043 -23.359 1.00 28.38 ? 395 HOH B O   1 
HETATM 1708 O O   . HOH G 6 .   ? -18.264 -17.302 -36.268 1.00 27.38 ? 396 HOH B O   1 
HETATM 1709 O O   . HOH G 6 .   ? -25.294 -10.488 -23.544 1.00 13.12 ? 397 HOH B O   1 
HETATM 1710 O O   . HOH G 6 .   ? -24.825 -14.978 -6.766  1.00 17.26 ? 398 HOH B O   1 
HETATM 1711 O O   . HOH G 6 .   ? -31.559 3.466   -26.805 1.00 27.05 ? 399 HOH B O   1 
HETATM 1712 O O   . HOH G 6 .   ? -39.999 6.097   -26.278 1.00 39.51 ? 400 HOH B O   1 
HETATM 1713 O O   . HOH G 6 .   ? -36.515 -0.342  -42.288 1.00 35.62 ? 401 HOH B O   1 
HETATM 1714 O O   . HOH G 6 .   ? -41.282 5.322   -28.473 1.00 32.88 ? 402 HOH B O   1 
HETATM 1715 O O   . HOH G 6 .   ? -34.170 -21.992 -36.259 1.00 43.72 ? 403 HOH B O   1 
HETATM 1716 O O   . HOH G 6 .   ? -13.233 -6.278  -29.196 1.00 33.70 ? 404 HOH B O   1 
HETATM 1717 O O   . HOH G 6 .   ? -9.266  -16.087 -26.470 1.00 29.36 ? 405 HOH B O   1 
HETATM 1718 O O   . HOH G 6 .   ? -17.934 -15.965 -6.094  1.00 24.70 ? 406 HOH B O   1 
HETATM 1719 O O   . HOH G 6 .   ? -34.789 -9.039  -5.989  1.00 46.34 ? 407 HOH B O   1 
HETATM 1720 O O   . HOH G 6 .   ? -17.888 -11.108 -35.499 1.00 27.92 ? 408 HOH B O   1 
HETATM 1721 O O   . HOH G 6 .   ? -42.418 -5.119  -43.623 1.00 23.98 ? 409 HOH B O   1 
HETATM 1722 O O   . HOH G 6 .   ? -41.086 -5.882  -37.928 1.00 36.01 ? 410 HOH B O   1 
HETATM 1723 O O   . HOH G 6 .   ? -43.263 3.743   -18.750 1.00 21.05 ? 411 HOH B O   1 
HETATM 1724 O O   . HOH G 6 .   ? -24.687 -11.057 -4.122  1.00 25.21 ? 412 HOH B O   1 
HETATM 1725 O O   . HOH G 6 .   ? -40.383 -7.558  -34.566 1.00 24.32 ? 413 HOH B O   1 
HETATM 1726 O O   . HOH G 6 .   ? -35.699 -3.428  -9.873  1.00 50.96 ? 414 HOH B O   1 
HETATM 1727 O O   . HOH G 6 .   ? -28.816 7.863   -29.999 1.00 29.65 ? 415 HOH B O   1 
HETATM 1728 O O   . HOH G 6 .   ? -15.973 -14.750 -8.637  1.00 37.03 ? 416 HOH B O   1 
HETATM 1729 O O   . HOH G 6 .   ? -30.762 -17.298 -42.688 1.00 37.69 ? 417 HOH B O   1 
HETATM 1730 O O   . HOH G 6 .   ? -40.858 6.351   -33.127 1.00 29.00 ? 418 HOH B O   1 
HETATM 1731 O O   . HOH G 6 .   ? -31.055 4.015   -24.351 1.00 28.49 ? 419 HOH B O   1 
HETATM 1732 O O   . HOH G 6 .   ? -25.174 6.920   -28.880 1.00 29.07 ? 420 HOH B O   1 
HETATM 1733 O O   . HOH G 6 .   ? -16.020 -12.013 -5.407  1.00 47.13 ? 421 HOH B O   1 
HETATM 1734 O O   . HOH G 6 .   ? -34.355 -7.083  -7.903  1.00 38.00 ? 422 HOH B O   1 
HETATM 1735 O O   . HOH G 6 .   ? -43.763 -9.366  -36.639 1.00 39.73 ? 423 HOH B O   1 
HETATM 1736 O O   . HOH G 6 .   ? -24.417 -4.387  -36.893 1.00 36.74 ? 424 HOH B O   1 
HETATM 1737 O O   . HOH G 6 .   ? -19.855 2.368   -24.016 1.00 39.25 ? 425 HOH B O   1 
HETATM 1738 O O   . HOH G 6 .   ? -47.498 -0.116  -32.723 0.50 35.73 ? 426 HOH B O   1 
HETATM 1739 O O   . HOH G 6 .   ? -15.997 -7.304  -11.144 1.00 34.65 ? 427 HOH B O   1 
HETATM 1740 O O   . HOH G 6 .   ? -32.744 -23.584 -33.224 1.00 33.99 ? 428 HOH B O   1 
HETATM 1741 O O   . HOH G 6 .   ? -36.708 -6.685  -8.851  1.00 35.40 ? 429 HOH B O   1 
HETATM 1742 O O   . HOH G 6 .   ? -26.122 -28.314 -21.621 1.00 39.63 ? 430 HOH B O   1 
HETATM 1743 O O   . HOH G 6 .   ? -21.719 6.949   -32.185 1.00 33.14 ? 431 HOH B O   1 
HETATM 1744 O O   . HOH G 6 .   ? -8.345  -22.993 -30.249 1.00 33.40 ? 432 HOH B O   1 
HETATM 1745 O O   . HOH G 6 .   ? -41.572 -15.317 -17.825 1.00 48.17 ? 433 HOH B O   1 
HETATM 1746 O O   . HOH G 6 .   ? -22.817 3.339   -20.481 1.00 40.42 ? 434 HOH B O   1 
HETATM 1747 O O   . HOH G 6 .   ? -36.680 2.142   -43.172 1.00 45.71 ? 435 HOH B O   1 
HETATM 1748 O O   . HOH G 6 .   ? -42.054 -12.962 -22.383 1.00 32.32 ? 436 HOH B O   1 
HETATM 1749 O O   . HOH G 6 .   ? -15.879 -22.295 -14.498 1.00 29.47 ? 437 HOH B O   1 
HETATM 1750 O O   . HOH G 6 .   ? -28.335 -27.725 -16.778 1.00 27.01 ? 438 HOH B O   1 
HETATM 1751 O O   . HOH G 6 .   ? -15.938 -27.025 -17.084 1.00 39.38 ? 439 HOH B O   1 
HETATM 1752 O O   . HOH G 6 .   ? -26.319 -31.191 -23.929 1.00 31.52 ? 440 HOH B O   1 
# 
