data_7HNA
# 
_entry.id   7HNA 
# 
_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   7HNA         pdb_00007hna 10.2210/pdb7hna/pdb 
WWPDB D_1001407688 ?            ?                   
# 
_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                        7HNA 
_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 '(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol' 210.248   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                               96.063    1   ?        ? ? ? 
5 water       nat water                                                       18.015    144 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                                              EDO 
3 '(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol' WGM 
4 'SULFATE ION'                                               SO4 
5 water                                                       HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                                     ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                                                    ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                                                  ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                             ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                                                    ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                                              'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE                                                   ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                             ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                                                     ?                 'C2 H5 N O2'     75.067  
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 
WGM non-polymer         . '(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol' ?                 'C11 H15 F N2 O' 210.248 
# 
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        WGM 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   WGM 
_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 WGM 1   202 401 WGM LIG B . 
D 2 EDO 1   203 305 EDO EDO B . 
E 4 SO4 1   204 1   SO4 SO4 B . 
F 5 HOH 1   301 29  HOH HOH B . 
F 5 HOH 2   302 11  HOH HOH B . 
F 5 HOH 3   303 40  HOH HOH B . 
F 5 HOH 4   304 2   HOH HOH B . 
F 5 HOH 5   305 4   HOH HOH B . 
F 5 HOH 6   306 12  HOH HOH B . 
F 5 HOH 7   307 26  HOH HOH B . 
F 5 HOH 8   308 21  HOH HOH B . 
F 5 HOH 9   309 1   HOH HOH B . 
F 5 HOH 10  310 27  HOH HOH B . 
F 5 HOH 11  311 33  HOH HOH B . 
F 5 HOH 12  312 16  HOH HOH B . 
F 5 HOH 13  313 63  HOH HOH B . 
F 5 HOH 14  314 9   HOH HOH B . 
F 5 HOH 15  315 99  HOH HOH B . 
F 5 HOH 16  316 90  HOH HOH B . 
F 5 HOH 17  317 89  HOH HOH B . 
F 5 HOH 18  318 51  HOH HOH B . 
F 5 HOH 19  319 34  HOH HOH B . 
F 5 HOH 20  320 129 HOH HOH B . 
F 5 HOH 21  321 5   HOH HOH B . 
F 5 HOH 22  322 102 HOH HOH B . 
F 5 HOH 23  323 11  HOH HOH B . 
F 5 HOH 24  324 95  HOH HOH B . 
F 5 HOH 25  325 36  HOH HOH B . 
F 5 HOH 26  326 10  HOH HOH B . 
F 5 HOH 27  327 25  HOH HOH B . 
F 5 HOH 28  328 100 HOH HOH B . 
F 5 HOH 29  329 31  HOH HOH B . 
F 5 HOH 30  330 70  HOH HOH B . 
F 5 HOH 31  331 80  HOH HOH B . 
F 5 HOH 32  332 39  HOH HOH B . 
F 5 HOH 33  333 2   HOH HOH B . 
F 5 HOH 34  334 16  HOH HOH B . 
F 5 HOH 35  335 27  HOH HOH B . 
F 5 HOH 36  336 22  HOH HOH B . 
F 5 HOH 37  337 18  HOH HOH B . 
F 5 HOH 38  338 3   HOH HOH B . 
F 5 HOH 39  339 68  HOH HOH B . 
F 5 HOH 40  340 15  HOH HOH B . 
F 5 HOH 41  341 55  HOH HOH B . 
F 5 HOH 42  342 72  HOH HOH B . 
F 5 HOH 43  343 86  HOH HOH B . 
F 5 HOH 44  344 7   HOH HOH B . 
F 5 HOH 45  345 20  HOH HOH B . 
F 5 HOH 46  346 58  HOH HOH B . 
F 5 HOH 47  347 26  HOH HOH B . 
F 5 HOH 48  348 29  HOH HOH B . 
F 5 HOH 49  349 28  HOH HOH B . 
F 5 HOH 50  350 50  HOH HOH B . 
F 5 HOH 51  351 10  HOH HOH B . 
F 5 HOH 52  352 157 HOH HOH B . 
F 5 HOH 53  353 126 HOH HOH B . 
F 5 HOH 54  354 93  HOH HOH B . 
F 5 HOH 55  355 81  HOH HOH B . 
F 5 HOH 56  356 19  HOH HOH B . 
F 5 HOH 57  357 62  HOH HOH B . 
F 5 HOH 58  358 1   HOH HOH B . 
F 5 HOH 59  359 211 HOH HOH B . 
F 5 HOH 60  360 4   HOH HOH B . 
F 5 HOH 61  361 3   HOH HOH B . 
F 5 HOH 62  362 76  HOH HOH B . 
F 5 HOH 63  363 66  HOH HOH B . 
F 5 HOH 64  364 17  HOH HOH B . 
F 5 HOH 65  365 85  HOH HOH B . 
F 5 HOH 66  366 116 HOH HOH B . 
F 5 HOH 67  367 43  HOH HOH B . 
F 5 HOH 68  368 137 HOH HOH B . 
F 5 HOH 69  369 184 HOH HOH B . 
F 5 HOH 70  370 264 HOH HOH B . 
F 5 HOH 71  371 6   HOH HOH B . 
F 5 HOH 72  372 47  HOH HOH B . 
F 5 HOH 73  373 59  HOH HOH B . 
F 5 HOH 74  374 304 HOH HOH B . 
F 5 HOH 75  375 267 HOH HOH B . 
F 5 HOH 76  376 8   HOH HOH B . 
F 5 HOH 77  377 172 HOH HOH B . 
F 5 HOH 78  378 61  HOH HOH B . 
F 5 HOH 79  379 32  HOH HOH B . 
F 5 HOH 80  380 71  HOH HOH B . 
F 5 HOH 81  381 33  HOH HOH B . 
F 5 HOH 82  382 156 HOH HOH B . 
F 5 HOH 83  383 14  HOH HOH B . 
F 5 HOH 84  384 25  HOH HOH B . 
F 5 HOH 85  385 64  HOH HOH B . 
F 5 HOH 86  386 24  HOH HOH B . 
F 5 HOH 87  387 125 HOH HOH B . 
F 5 HOH 88  388 46  HOH HOH B . 
F 5 HOH 89  389 32  HOH HOH B . 
F 5 HOH 90  390 303 HOH HOH B . 
F 5 HOH 91  391 214 HOH HOH B . 
F 5 HOH 92  392 48  HOH HOH B . 
F 5 HOH 93  393 103 HOH HOH B . 
F 5 HOH 94  394 23  HOH HOH B . 
F 5 HOH 95  395 30  HOH HOH B . 
F 5 HOH 96  396 97  HOH HOH B . 
F 5 HOH 97  397 8   HOH HOH B . 
F 5 HOH 98  398 56  HOH HOH B . 
F 5 HOH 99  399 20  HOH HOH B . 
F 5 HOH 100 400 12  HOH HOH B . 
F 5 HOH 101 401 281 HOH HOH B . 
F 5 HOH 102 402 57  HOH HOH B . 
F 5 HOH 103 403 49  HOH HOH B . 
F 5 HOH 104 404 22  HOH HOH B . 
F 5 HOH 105 405 7   HOH HOH B . 
F 5 HOH 106 406 45  HOH HOH B . 
F 5 HOH 107 407 60  HOH HOH B . 
F 5 HOH 108 408 42  HOH HOH B . 
F 5 HOH 109 409 41  HOH HOH B . 
F 5 HOH 110 410 197 HOH HOH B . 
F 5 HOH 111 411 257 HOH HOH B . 
F 5 HOH 112 412 54  HOH HOH B . 
F 5 HOH 113 413 120 HOH HOH B . 
F 5 HOH 114 414 15  HOH HOH B . 
F 5 HOH 115 415 13  HOH HOH B . 
F 5 HOH 116 416 140 HOH HOH B . 
F 5 HOH 117 417 69  HOH HOH B . 
F 5 HOH 118 418 38  HOH HOH B . 
F 5 HOH 119 419 53  HOH HOH B . 
F 5 HOH 120 420 18  HOH HOH B . 
F 5 HOH 121 421 44  HOH HOH B . 
F 5 HOH 122 422 112 HOH HOH B . 
F 5 HOH 123 423 73  HOH HOH B . 
F 5 HOH 124 424 5   HOH HOH B . 
F 5 HOH 125 425 154 HOH HOH B . 
F 5 HOH 126 426 19  HOH HOH B . 
F 5 HOH 127 427 30  HOH HOH B . 
F 5 HOH 128 428 263 HOH HOH B . 
F 5 HOH 129 429 266 HOH HOH B . 
F 5 HOH 130 430 114 HOH HOH B . 
F 5 HOH 131 431 115 HOH HOH B . 
F 5 HOH 132 432 23  HOH HOH B . 
F 5 HOH 133 433 21  HOH HOH B . 
F 5 HOH 134 434 13  HOH HOH B . 
F 5 HOH 135 435 98  HOH HOH B . 
F 5 HOH 136 436 133 HOH HOH B . 
F 5 HOH 137 437 166 HOH HOH B . 
F 5 HOH 138 438 104 HOH HOH B . 
F 5 HOH 139 439 205 HOH HOH B . 
F 5 HOH 140 440 127 HOH HOH B . 
F 5 HOH 141 441 14  HOH HOH B . 
F 5 HOH 142 442 270 HOH HOH B . 
F 5 HOH 143 443 131 HOH HOH B . 
F 5 HOH 144 444 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HNA 
_cell.length_a           95.423 
_cell.length_b           95.423 
_cell.length_c           45.869 
_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                         7HNA 
_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          7HNA 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.42 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.12 
_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                     7HNA 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             41.340 
_reflns.d_resolution_high            1.290 
_reflns.number_obs                   51603 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         99.100 
_reflns.pdbx_Rmerge_I_obs            0.080 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        17.300 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.000 
_reflns.pdbx_Rrim_I_all              0.083 
_reflns.pdbx_Rpim_I_all              0.024 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     567038 
_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 1.290 1.310  ? 8135 2234 ? 1.417 ? ? ? 3.600  ? 0.600  ? ? ? ? ? ? 87.800 1.656 0.834 0.326 
1 2 7.060 41.340 ? 4270 347  ? 0.037 ? ? ? 12.300 ? 96.700 ? ? ? ? ? ? 99.600 0.039 0.012 1.000 
# 
_refine.entry_id                                 7HNA 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.2900 
_refine.ls_d_res_low                             41.3700 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.0400 
_refine.ls_number_reflns_obs                     49047 
_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                          0.1796 
_refine.ls_R_factor_R_work                       0.1788 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1955 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2506 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               15.7290 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0700 
_refine.aniso_B[2][2]                            0.0700 
_refine.aniso_B[3][3]                            -0.1400 
_refine.aniso_B[1][2]                            0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9690 
_refine.correlation_coeff_Fo_to_Fc_free          0.9640 
_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                       0.0510 
_refine.pdbx_overall_ESU_R_Free                  0.0510 
_refine.overall_SU_ML                            0.0410 
_refine.overall_SU_B                             1.0420 
_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                                68.160 
_refine.B_iso_min                                8.490 
_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                       1.2900 
_refine_hist.d_res_low                        41.3700 
_refine_hist.pdbx_number_atoms_ligand         28 
_refine_hist.number_atoms_solvent             144 
_refine_hist.number_atoms_total               1665 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           30.61 
_refine_hist.pdbx_B_iso_mean_solvent          25.89 
_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       2040 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1632 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2559 1.910  1.640  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3768 1.446  1.579  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  7.120  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 110  28.129 21.455 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 291  11.538 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.937 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         224  0.091  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2284 0.012  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     504  0.003  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            971  1.291  1.403  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.271  1.391  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.022  2.092  ? ? 
# 
_refine_ls_shell.d_res_high                       1.2900 
_refine_ls_shell.d_res_low                        1.3230 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               89.3000 
_refine_ls_shell.number_reflns_R_work             3217 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3460 
_refine_ls_shell.R_factor_R_free                  0.3170 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             203 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3420 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNA 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1929757385' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNA 
_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 2 ? 
E N N 4 ? 
F N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HNA 
_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 7HNA MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNA HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNA HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNA HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNA HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNA HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNA HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNA 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 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -0.72 
# 
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                   7HNA 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            C 
_pdbx_validate_rmsd_bond.auth_asym_id_1            B 
_pdbx_validate_rmsd_bond.auth_comp_id_1            ARG 
_pdbx_validate_rmsd_bond.auth_seq_id_1             21 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            B 
_pdbx_validate_rmsd_bond.auth_atom_id_2            O 
_pdbx_validate_rmsd_bond.auth_asym_id_2            B 
_pdbx_validate_rmsd_bond.auth_comp_id_2            ARG 
_pdbx_validate_rmsd_bond.auth_seq_id_2             21 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            B 
_pdbx_validate_rmsd_bond.bond_value                1.361 
_pdbx_validate_rmsd_bond.bond_target_value         1.229 
_pdbx_validate_rmsd_bond.bond_deviation            0.132 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.019 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                128.59 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            16.79 
_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 SER B 67  ? B 179.93  159.27 
2 1 ASP B 152 ? ? -102.49 51.98  
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     430 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   F 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
PHE N    N N N 260 
PHE CA   C N S 261 
PHE C    C N N 262 
PHE O    O N N 263 
PHE CB   C N N 264 
PHE CG   C Y N 265 
PHE CD1  C Y N 266 
PHE CD2  C Y N 267 
PHE CE1  C Y N 268 
PHE CE2  C Y N 269 
PHE CZ   C Y N 270 
PHE OXT  O N N 271 
PHE H    H N N 272 
PHE H2   H N N 273 
PHE HA   H N N 274 
PHE HB2  H N N 275 
PHE HB3  H N N 276 
PHE HD1  H N N 277 
PHE HD2  H N N 278 
PHE HE1  H N N 279 
PHE HE2  H N N 280 
PHE HZ   H N N 281 
PHE HXT  H N N 282 
PRO N    N N N 283 
PRO CA   C N S 284 
PRO C    C N N 285 
PRO O    O N N 286 
PRO CB   C N N 287 
PRO CG   C N N 288 
PRO CD   C N N 289 
PRO OXT  O N N 290 
PRO H    H N N 291 
PRO HA   H N N 292 
PRO HB2  H N N 293 
PRO HB3  H N N 294 
PRO HG2  H N N 295 
PRO HG3  H N N 296 
PRO HD2  H N N 297 
PRO HD3  H N N 298 
PRO HXT  H N N 299 
SER N    N N N 300 
SER CA   C N S 301 
SER C    C N N 302 
SER O    O N N 303 
SER CB   C N N 304 
SER OG   O N N 305 
SER OXT  O N N 306 
SER H    H N N 307 
SER H2   H N N 308 
SER HA   H N N 309 
SER HB2  H N N 310 
SER HB3  H N N 311 
SER HG   H N N 312 
SER HXT  H N N 313 
SO4 S    S N N 314 
SO4 O1   O N N 315 
SO4 O2   O N N 316 
SO4 O3   O N N 317 
SO4 O4   O N N 318 
THR N    N N N 319 
THR CA   C N S 320 
THR C    C N N 321 
THR O    O N N 322 
THR CB   C N R 323 
THR OG1  O N N 324 
THR CG2  C N N 325 
THR OXT  O N N 326 
THR H    H N N 327 
THR H2   H N N 328 
THR HA   H N N 329 
THR HB   H N N 330 
THR HG1  H N N 331 
THR HG21 H N N 332 
THR HG22 H N N 333 
THR HG23 H N N 334 
THR HXT  H N N 335 
TRP N    N N N 336 
TRP CA   C N S 337 
TRP C    C N N 338 
TRP O    O N N 339 
TRP CB   C N N 340 
TRP CG   C Y N 341 
TRP CD1  C Y N 342 
TRP CD2  C Y N 343 
TRP NE1  N Y N 344 
TRP CE2  C Y N 345 
TRP CE3  C Y N 346 
TRP CZ2  C Y N 347 
TRP CZ3  C Y N 348 
TRP CH2  C Y N 349 
TRP OXT  O N N 350 
TRP H    H N N 351 
TRP H2   H N N 352 
TRP HA   H N N 353 
TRP HB2  H N N 354 
TRP HB3  H N N 355 
TRP HD1  H N N 356 
TRP HE1  H N N 357 
TRP HE3  H N N 358 
TRP HZ2  H N N 359 
TRP HZ3  H N N 360 
TRP HH2  H N N 361 
TRP HXT  H N N 362 
TYR N    N N N 363 
TYR CA   C N S 364 
TYR C    C N N 365 
TYR O    O N N 366 
TYR CB   C N N 367 
TYR CG   C Y N 368 
TYR CD1  C Y N 369 
TYR CD2  C Y N 370 
TYR CE1  C Y N 371 
TYR CE2  C Y N 372 
TYR CZ   C Y N 373 
TYR OH   O N N 374 
TYR OXT  O N N 375 
TYR H    H N N 376 
TYR H2   H N N 377 
TYR HA   H N N 378 
TYR HB2  H N N 379 
TYR HB3  H N N 380 
TYR HD1  H N N 381 
TYR HD2  H N N 382 
TYR HE1  H N N 383 
TYR HE2  H N N 384 
TYR HH   H N N 385 
TYR HXT  H N N 386 
VAL N    N N N 387 
VAL CA   C N S 388 
VAL C    C N N 389 
VAL O    O N N 390 
VAL CB   C N N 391 
VAL CG1  C N N 392 
VAL CG2  C N N 393 
VAL OXT  O N N 394 
VAL H    H N N 395 
VAL H2   H N N 396 
VAL HA   H N N 397 
VAL HB   H N N 398 
VAL HG11 H N N 399 
VAL HG12 H N N 400 
VAL HG13 H N N 401 
VAL HG21 H N N 402 
VAL HG22 H N N 403 
VAL HG23 H N N 404 
VAL HXT  H N N 405 
WGM N1   N Y N 406 
WGM C4   C N N 407 
WGM C5   C N R 408 
WGM C6   C Y N 409 
WGM C7   C Y N 410 
WGM C8   C Y N 411 
WGM C10  C Y N 412 
WGM N    N N N 413 
WGM C    C N N 414 
WGM O    O N N 415 
WGM C1   C N N 416 
WGM C2   C N N 417 
WGM C3   C N N 418 
WGM C9   C Y N 419 
WGM F    F N N 420 
WGM H9   H N N 421 
WGM H8   H N N 422 
WGM H10  H N N 423 
WGM H12  H N N 424 
WGM H13  H N N 425 
WGM H1   H N N 426 
WGM H    H N N 427 
WGM H2   H N N 428 
WGM H11  H N N 429 
WGM H4   H N N 430 
WGM H5   H N N 431 
WGM H3   H N N 432 
WGM H7   H N N 433 
WGM H6   H N N 434 
WGM H14  H N N 435 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
PHE N   CA   sing N N 246 
PHE N   H    sing N N 247 
PHE N   H2   sing N N 248 
PHE CA  C    sing N N 249 
PHE CA  CB   sing N N 250 
PHE CA  HA   sing N N 251 
PHE C   O    doub N N 252 
PHE C   OXT  sing N N 253 
PHE CB  CG   sing N N 254 
PHE CB  HB2  sing N N 255 
PHE CB  HB3  sing N N 256 
PHE CG  CD1  doub Y N 257 
PHE CG  CD2  sing Y N 258 
PHE CD1 CE1  sing Y N 259 
PHE CD1 HD1  sing N N 260 
PHE CD2 CE2  doub Y N 261 
PHE CD2 HD2  sing N N 262 
PHE CE1 CZ   doub Y N 263 
PHE CE1 HE1  sing N N 264 
PHE CE2 CZ   sing Y N 265 
PHE CE2 HE2  sing N N 266 
PHE CZ  HZ   sing N N 267 
PHE OXT HXT  sing N N 268 
PRO N   CA   sing N N 269 
PRO N   CD   sing N N 270 
PRO N   H    sing N N 271 
PRO CA  C    sing N N 272 
PRO CA  CB   sing N N 273 
PRO CA  HA   sing N N 274 
PRO C   O    doub N N 275 
PRO C   OXT  sing N N 276 
PRO CB  CG   sing N N 277 
PRO CB  HB2  sing N N 278 
PRO CB  HB3  sing N N 279 
PRO CG  CD   sing N N 280 
PRO CG  HG2  sing N N 281 
PRO CG  HG3  sing N N 282 
PRO CD  HD2  sing N N 283 
PRO CD  HD3  sing N N 284 
PRO OXT HXT  sing N N 285 
SER N   CA   sing N N 286 
SER N   H    sing N N 287 
SER N   H2   sing N N 288 
SER CA  C    sing N N 289 
SER CA  CB   sing N N 290 
SER CA  HA   sing N N 291 
SER C   O    doub N N 292 
SER C   OXT  sing N N 293 
SER CB  OG   sing N N 294 
SER CB  HB2  sing N N 295 
SER CB  HB3  sing N N 296 
SER OG  HG   sing N N 297 
SER OXT HXT  sing N N 298 
SO4 S   O1   doub N N 299 
SO4 S   O2   doub N N 300 
SO4 S   O3   sing N N 301 
SO4 S   O4   sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
VAL N   CA   sing N N 371 
VAL N   H    sing N N 372 
VAL N   H2   sing N N 373 
VAL CA  C    sing N N 374 
VAL CA  CB   sing N N 375 
VAL CA  HA   sing N N 376 
VAL C   O    doub N N 377 
VAL C   OXT  sing N N 378 
VAL CB  CG1  sing N N 379 
VAL CB  CG2  sing N N 380 
VAL CB  HB   sing N N 381 
VAL CG1 HG11 sing N N 382 
VAL CG1 HG12 sing N N 383 
VAL CG1 HG13 sing N N 384 
VAL CG2 HG21 sing N N 385 
VAL CG2 HG22 sing N N 386 
VAL CG2 HG23 sing N N 387 
VAL OXT HXT  sing N N 388 
WGM C   C1   sing N N 389 
WGM C2  C1   sing N N 390 
WGM C1  C3   sing N N 391 
WGM C3  N    sing N N 392 
WGM C4  N    sing N N 393 
WGM C5  C4   sing N N 394 
WGM C1  C5   sing N N 395 
WGM O   C5   sing N N 396 
WGM N   C6   sing N N 397 
WGM C6  N1   sing Y N 398 
WGM N1  C7   doub Y N 399 
WGM C7  C8   sing Y N 400 
WGM C8  C9   doub Y N 401 
WGM C9  C10  sing Y N 402 
WGM C6  C10  doub Y N 403 
WGM C10 F    sing N N 404 
WGM C4  H9   sing N N 405 
WGM C4  H8   sing N N 406 
WGM C5  H10  sing N N 407 
WGM C7  H12  sing N N 408 
WGM C8  H13  sing N N 409 
WGM C   H1   sing N N 410 
WGM C   H    sing N N 411 
WGM C   H2   sing N N 412 
WGM O   H11  sing N N 413 
WGM C2  H4   sing N N 414 
WGM C2  H5   sing N N 415 
WGM C2  H3   sing N N 416 
WGM C3  H7   sing N N 417 
WGM C3  H6   sing N N 418 
WGM C9  H14  sing N N 419 
# 
_pdbx_audit_support.ordinal                1 
_pdbx_audit_support.funding_organization   'European Union (EU)' 
_pdbx_audit_support.grant_number           875510 
_pdbx_audit_support.country                'European Union' 
# 
_pdbx_deposit_group.group_id            G_1002320 
_pdbx_deposit_group.group_description   
;PRYSPRY domain of murine TRIM21 screened against the DSI-poised Fragment Library by X-ray Crystallography at the XChem facility of Diamon Light Source
;
_pdbx_deposit_group.group_title         'PanDDA analysis group deposition' 
_pdbx_deposit_group.group_type          'changed state' 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2VOK 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    7HNA 
_atom_sites.fract_transf_matrix[1][1]   0.010480 
_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]   0.010480 
_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]   0.021801 
_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   ? -13.363 -12.727 -9.889  1.00 54.38 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.867 -13.386 -11.154 1.00 49.59 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.753 -12.546 -11.794 1.00 47.22 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.663 -11.318 -11.509 1.00 49.72 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -14.024 -13.635 -12.145 1.00 43.05 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.570 -12.406 -12.798 1.00 38.10 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.991 -11.848 -13.930 1.00 39.39 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.647 -11.641 -12.517 1.00 35.23 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.669 -10.770 -14.287 1.00 37.87 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.690 -10.610 -13.432 1.00 30.63 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.978 -13.179 -12.674 1.00 42.97 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.827  -12.579 -13.395 1.00 41.65 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.025 -12.703 -14.919 1.00 36.73 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.016  -12.918 -15.618 1.00 38.47 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.528  -13.212 -12.848 1.00 51.80 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.351  -12.995 -11.373 1.00 62.04 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.073  -11.744 -10.826 1.00 62.76 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.436  -13.846 -10.324 1.00 67.18 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.992  -11.840 -9.513  1.00 65.03 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.201  -13.121 -9.181  1.00 68.16 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.264 -12.516 -15.429 1.00 30.33 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.638 -12.678 -16.872 1.00 25.32 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.620 -11.335 -17.615 1.00 26.15 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.767 -11.343 -18.850 1.00 24.35 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.043 -13.300 -17.048 1.00 25.85 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.210 -14.635 -16.413 1.00 26.42 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.323 -15.694 -16.627 1.00 25.42 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.171 -15.105 -15.585 1.00 25.11 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.734 -16.746 -15.932 1.00 30.10 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.859 -16.406 -15.294 1.00 29.08 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.415 -10.214 -16.920 1.00 27.91 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.526 -8.845  -17.501 1.00 29.16 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.644 -8.658  -18.747 1.00 27.26 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.100 -7.955  -19.676 1.00 28.33 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.227 -7.754  -16.452 1.00 34.90 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.074 -7.881  -15.234 1.00 41.02 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.676 -8.642  -14.132 1.00 48.35 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.307 -7.398  -14.948 1.00 42.73 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.631 -8.615  -13.212 1.00 49.42 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.650 -7.857  -13.690 1.00 45.85 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.457  -9.287  -18.816 1.00 26.20 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.495  -9.150  -19.939 1.00 27.15 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.012  -9.777  -21.242 1.00 25.77 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.395  -9.530  -22.288 1.00 26.96 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.122  -9.724  -19.552 1.00 31.66 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.133  -11.158 -19.161 1.00 29.86 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.505  -12.142 -19.929 1.00 37.36 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.616  -11.789 -18.068 1.00 31.46 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.639  -13.313 -19.344 1.00 29.90 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.315  -13.130 -18.203 1.00 36.05 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.078 -10.594 -21.208 1.00 21.02 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.757 -11.139 -22.421 1.00 19.32 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.856 -10.191 -22.893 1.00 17.42 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.682 -10.642 -23.680 1.00 15.11 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.315 -12.521 -22.132 1.00 18.42 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.267 -13.504 -21.698 1.00 19.20 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.220  -13.830 -22.543 1.00 20.21 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.127 -14.205 -20.558 1.00 20.55 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.467  -14.714 -21.922 1.00 19.53 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.974  -14.963 -20.703 1.00 22.23 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.918 -8.972  -22.375 1.00 17.47 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.954 -7.973  -22.729 1.00 19.80 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.048 -7.836  -24.248 1.00 18.28 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.000 -7.718  -24.968 1.00 21.70 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.623 -6.615  -22.103 1.00 24.07 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.659 -5.501  -22.329 1.00 30.21 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.265 -5.725  -21.449 1.00 41.64 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.850 -5.111  -19.822 1.00 35.84 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.259 -7.841  -24.774 1.00 16.89 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.563 -7.603  -26.205 1.00 17.14 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.556 -6.423  -26.271 1.00 18.07 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.423 -6.291  -25.392 1.00 17.96 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.099 -8.851  -26.928 1.00 18.37 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.027 -9.919  -27.054 1.00 21.52 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.320 -9.442  -26.266 1.00 19.46 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.480 -5.643  -27.336 1.00 18.02 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.359 -4.480  -27.581 1.00 17.85 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.576 -4.970  -28.361 1.00 17.74 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.463 -5.359  -29.525 1.00 20.77 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.614 -3.416  -28.375 1.00 18.90 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.378 -2.151  -28.570 1.00 22.98 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.490 -1.201  -27.584 1.00 26.87 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.106 -1.717  -29.624 1.00 25.39 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.216 -0.191  -28.041 1.00 24.05 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.610 -0.488  -29.294 1.00 29.94 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.697 -5.106  -27.677 1.00 14.43 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.940 -5.607  -28.308 1.00 15.26 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.756 -4.408  -28.833 1.00 14.58 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.792 -3.390  -28.178 1.00 14.31 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.747 -6.430  -27.284 1.00 14.47 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.951 -7.637  -26.770 1.00 15.96 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.082 -6.851  -27.902 1.00 14.39 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.404 -8.553  -27.844 1.00 16.28 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.350 -4.582  -30.001 1.00 13.92 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.332 -3.603  -30.550 1.00 15.19 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.590 -4.365  -30.949 1.00 15.71 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.545 -5.593  -31.209 1.00 16.26 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.754 -2.817  -31.724 1.00 17.81 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.424 -3.718  -32.758 1.00 18.75 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.573 -1.945  -31.334 1.00 19.47 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.729 -3.669  -30.909 1.00 13.93 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.013 -4.318  -31.202 1.00 13.63 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.293 -4.315  -32.701 1.00 13.80 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.007 -3.302  -33.359 1.00 15.00 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.085 -3.574  -30.424 1.00 13.89 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.920 -3.651  -28.914 1.00 13.81 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.896 -2.738  -28.165 1.00 15.92 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.010 -5.093  -28.421 1.00 15.44 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.926 -5.346  -33.187 1.00 12.37 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.296 -5.535  -34.615 1.00 12.65 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.796 -5.138  -34.778 1.00 14.26 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.679 -5.934  -34.499 1.00 13.67 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.017 -6.963  -35.098 1.00 12.75 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.303 -7.228  -36.555 1.00 16.80 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.930 -6.322  -37.160 1.00 16.84 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.038 -8.356  -37.082 1.00 17.19 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.008 -3.894  -35.241 0.25 14.91 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.041 -3.908  -35.246 0.25 15.25 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.324 -3.253  -35.549 0.25 16.68 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.401 -3.315  -35.431 0.25 16.89 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.256 -4.154  -36.371 0.25 16.63 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.287 -4.112  -36.418 0.25 16.47 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.580 -4.032  -36.252 0.25 19.62 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.641 -3.971  -36.424 0.25 16.27 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.142 -2.020  -36.448 0.25 17.42 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.318 -1.919  -36.062 0.25 19.18 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.182 -0.979  -35.899 0.25 19.94 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.790 -0.835  -35.140 0.25 22.00 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.208 0.330   -36.672 0.25 19.70 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.396 -0.350  -35.519 0.25 25.01 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.681 1.372   -35.812 0.25 19.92 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.339 0.560   -36.669 0.25 27.70 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.398 1.937   -34.867 0.25 18.83 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.770 0.290   -37.847 0.25 29.89 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.655 1.570   -34.726 0.25 20.93 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.183 -0.872  -38.072 0.25 32.26 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.876 2.853   -34.080 0.25 20.14 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.788 1.195   -38.807 0.25 31.58 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.647 -4.961  -37.266 1.00 15.64 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.433 -5.795  -38.189 1.00 16.55 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.107 -6.958  -37.471 1.00 14.60 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.118 -7.457  -37.977 1.00 14.55 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.576 -6.258  -39.370 1.00 20.19 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.400 -5.167  -40.409 1.00 27.58 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.162 -4.195  -40.461 1.00 35.55 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.385 -5.327  -41.240 1.00 41.60 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.594 -7.360  -36.286 1.00 12.82 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.138 -8.488  -35.523 1.00 12.87 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.186 -8.014  -34.520 1.00 11.71 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.869 -8.854  -33.899 1.00 11.78 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.048 -9.271  -34.767 1.00 12.79 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.478 -8.465  -33.729 1.00 13.53 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.036 -9.828  -35.755 1.00 13.97 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.268 -6.714  -34.292 1.00 11.56 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.082 -6.164  -33.179 1.00 11.46 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.574 -6.368  -33.429 1.00 12.53 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.057 -6.096  -34.562 1.00 12.95 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.794 -4.710  -33.017 1.00 12.01 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.336 -6.663  -32.394 1.00 11.87 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.802 -6.478  -32.437 1.00 11.41 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.069 -5.046  -32.919 1.00 11.15 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.355 -4.093  -32.570 1.00 11.43 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.332 -6.767  -31.048 1.00 12.80 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.807 -6.542  -30.949 1.00 14.13 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.258 -5.426  -30.761 1.00 13.94 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.541 -7.608  -31.023 1.00 19.17 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.154 -4.890  -33.670 1.00 11.17 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.499 -3.608  -34.318 1.00 11.40 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.882 -2.519  -33.330 1.00 12.01 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -39.982 -1.380  -33.796 1.00 13.17 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.622 -3.824  -35.310 1.00 12.80 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.762 -4.299  -34.608 1.00 16.31 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.068 -2.783  -32.046 1.00 10.75 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.377 -1.751  -31.041 1.00 11.07 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.125 -1.251  -30.329 1.00 11.71 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.230 -0.323  -29.531 1.00 12.45 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.380 -2.274  -30.041 1.00 11.92 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.774 -2.377  -30.585 1.00 12.75 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.170 -2.902  -31.783 1.00 12.31 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.953 -1.944  -29.912 1.00 15.18 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.547 -2.824  -31.885 1.00 14.82 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.034 -2.280  -30.749 1.00 13.74 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.197 -1.349  -28.680 1.00 16.39 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.361 -1.986  -30.377 1.00 17.07 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.508 -1.080  -28.306 1.00 18.51 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.563 -1.431  -29.133 1.00 19.52 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.950 -1.856  -30.610 1.00 11.44 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.733 -1.452  -29.868 1.00 11.68 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.129 -0.187  -30.495 1.00 12.23 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.126 -0.018  -31.717 1.00 12.38 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.720 -2.604  -29.879 1.00 10.80 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.161 -3.865  -29.147 1.00 12.43 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.063 -4.920  -29.137 1.00 11.76 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.594 -3.609  -27.734 1.00 12.58 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.475 0.567   -29.634 1.00 11.87 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.707 1.780   -30.012 1.00 13.29 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.259 1.568   -29.573 1.00 13.57 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -32.985 1.448   -28.359 1.00 13.81 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.260 3.035   -29.379 1.00 13.80 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.747 3.272   -29.754 1.00 14.06 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.374 4.240   -29.768 1.00 15.95 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.399 4.341   -29.012 1.00 15.45 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.397 1.458   -30.553 1.00 16.11 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.937 1.258   -30.337 1.00 15.95 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.240 2.589   -30.522 1.00 17.48 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.500 3.316   -31.530 1.00 17.43 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.416 0.190   -31.277 1.00 16.75 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -30.970 -1.173  -30.899 1.00 19.02 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.887 0.141   -31.300 1.00 16.90 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.689 -2.163  -31.836 1.00 20.36 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.355 2.957   -29.623 1.00 16.32 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.652 4.251   -29.667 1.00 16.31 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.736 4.334   -30.899 1.00 14.74 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.347 3.333   -31.475 1.00 15.39 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.915 4.434   -28.397 1.00 17.61 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.959 3.376   -28.249 1.00 17.04 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.341 5.575   -31.235 1.00 17.91 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.457 5.813   -32.400 1.00 18.03 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.166 4.985   -32.279 1.00 16.52 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.722 4.465   -33.314 1.00 19.07 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.121 7.308   -32.467 1.00 20.06 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.173 7.638   -33.599 1.00 22.42 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.290 9.085   -33.983 1.00 23.82 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.155 9.934   -32.753 1.00 28.55 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.264 11.341  -33.147 1.00 30.97 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.602 4.913   -31.077 1.00 17.59 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.331 4.156   -30.888 1.00 16.87 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.561 2.628   -30.863 1.00 15.95 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.560 1.888   -30.760 1.00 16.07 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.565 4.647   -29.659 1.00 17.75 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.226 4.400   -28.322 1.00 17.53 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.327 3.746   -28.300 1.00 18.12 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.604 4.796   -27.312 1.00 20.65 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.794 2.156   -30.964 1.00 14.10 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.146 0.716   -30.992 1.00 14.80 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.725 0.072   -29.657 1.00 12.14 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.552 -1.176  -29.637 1.00 13.09 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.595 0.035   -32.248 1.00 18.78 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.248 0.588   -33.514 1.00 22.04 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.818 -0.013  -34.816 1.00 29.79 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.393 -0.198  -34.964 1.00 37.61 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.722 -1.367  -34.885 1.00 52.61 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.327 -2.541  -34.656 1.00 45.89 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.405 -1.343  -35.052 1.00 56.85 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.682 0.793   -28.573 1.00 11.50 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.279 0.271   -27.247 1.00 12.86 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.426 0.249   -26.241 1.00 13.73 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.259 -0.335  -25.137 1.00 14.67 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.104 1.049   -26.649 1.00 13.99 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.857 1.002   -27.519 1.00 15.55 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.030 -0.234  -27.280 1.00 17.06 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.250 -0.038  -26.053 1.00 17.93 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.528 -0.997  -25.448 1.00 16.76 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.455 -2.179  -25.993 1.00 17.21 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.868 -0.744  -24.329 1.00 18.59 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.580 0.841   -26.549 1.00 13.15 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.733 0.865   -25.638 1.00 13.07 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -28.995 0.480   -26.399 1.00 12.51 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.108 0.741   -27.634 1.00 13.31 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.973 2.276   -25.095 1.00 14.92 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.731 2.883   -24.499 1.00 18.05 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.067 4.135   -23.710 1.00 21.61 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.216 4.385   -23.332 1.00 24.49 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.058 4.941   -23.481 1.00 25.55 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.926 -0.140  -25.692 1.00 12.05 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.232 -0.525  -26.299 1.00 12.15 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.308 -0.344  -25.243 1.00 12.38 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.119 -0.719  -24.079 1.00 11.56 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.182 -1.930  -26.900 1.00 11.01 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.790 -3.021  -25.893 1.00 11.35 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.496 -2.283  -27.578 1.00 12.02 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.459 0.152   -25.659 1.00 12.49 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.642 0.219   -24.780 1.00 12.72 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.915 -0.059  -25.602 1.00 12.23 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.920 0.018   -26.838 1.00 11.77 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.757 1.589   -24.125 1.00 14.38 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.051 2.706   -25.113 1.00 16.72 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.991 4.020   -24.351 1.00 19.73 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.259 5.137   -25.238 1.00 23.89 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.450 5.642   -25.491 1.00 20.67 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.546 5.130   -24.970 1.00 24.27 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.535 6.681   -26.331 1.00 26.65 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.970 -0.364  -24.850 0.25 11.84 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -36.990 -0.455  -24.919 0.25 13.33 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.341 -0.597  -25.363 0.25 12.61 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.274 -0.732  -25.618 0.25 14.70 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.950 0.758   -25.733 0.25 12.38 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.054 0.573   -25.722 0.25 13.67 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.943 1.684   -24.902 0.25 13.47 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.361 1.180   -24.645 0.25 13.58 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.169 -1.300  -24.279 0.25 12.74 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.158 -1.778  -24.930 0.25 17.67 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.559 -1.782  -24.737 0.25 14.08 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.486 -2.031  -25.707 0.25 20.29 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.478 -2.796  -26.283 0.25 16.63 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.278 -3.583  -25.203 0.25 23.49 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.066 -3.627  -26.285 0.25 16.66 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.520 -3.717  -26.488 0.25 23.87 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.379 0.903   -26.976 1.00 12.80 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.186 2.083   -27.378 1.00 14.33 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.644 1.898   -26.992 1.00 15.85 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.064 0.809   -26.550 1.00 16.75 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.414 3.001   -27.063 1.00 19.72 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.857 2.905   -26.653 1.00 22.74 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.705 2.549   -27.900 1.00 23.60 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.941 2.391   -27.770 1.00 22.73 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.327 4.151   -25.873 1.00 27.77 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.842 4.225   -24.414 1.00 39.94 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.602 3.152   -23.800 1.00 43.57 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.729 5.360   -23.868 1.00 39.88 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.084 2.261   -29.042 1.00 16.92 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.783 1.958   -30.334 1.00 16.69 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.834 1.270   -31.333 1.00 14.18 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.546 1.249   -31.144 1.00 12.99 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.338 3.293   -30.836 1.00 17.69 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.231 3.049   -31.896 1.00 19.24 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.232 4.215   -31.302 1.00 19.97 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.315 0.814   -32.484 1.00 13.83 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.495 0.344   -33.626 1.00 13.61 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.546 1.437   -34.080 1.00 14.61 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -42.999 2.603   -34.246 1.00 14.66 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.446 -0.158  -34.708 1.00 13.15 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.851 -0.817  -35.892 1.00 12.19 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.048 -0.161  -36.814 1.00 12.49 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.937 -2.110  -36.322 1.00 12.44 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.708 -0.986  -37.763 1.00 12.86 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.249 -2.238  -37.491 1.00 13.31 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.271 1.107   -34.312 1.00 13.41 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.226 2.104   -34.579 1.00 12.90 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.067 2.380   -36.077 1.00 13.39 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.050 2.979   -36.461 1.00 15.21 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.926 1.710   -33.862 1.00 12.89 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.076 1.796   -32.375 1.00 12.56 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.560 3.124   -31.854 1.00 13.27 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.507 3.238   -31.062 1.00 17.66 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.914 4.181   -32.289 1.00 12.81 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.039 1.994   -36.900 1.00 13.11 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.124 2.448   -38.320 1.00 13.45 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.013 1.830   -39.159 1.00 14.27 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.549 2.420   -40.125 1.00 15.67 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.190 3.982   -38.436 1.00 13.99 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.800 4.393   -39.766 1.00 13.86 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.695 3.722   -40.288 1.00 12.86 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.364 5.528   -40.336 1.00 13.13 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.648 0.587   -38.856 1.00 15.69 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.682 -0.227  -39.653 1.00 17.11 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.438 -1.279  -40.483 1.00 15.67 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.511 -1.699  -40.060 1.00 16.08 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.644 -0.904  -38.734 1.00 17.18 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.710 0.116   -38.091 1.00 20.39 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.307 -1.776  -37.680 1.00 18.62 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.878 -1.735  -41.593 1.00 17.55 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.421 -2.883  -42.346 1.00 18.27 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.225 -4.193  -41.586 1.00 17.08 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.265 -4.298  -40.800 1.00 16.03 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.828 -2.953  -43.756 1.00 21.13 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.421 -3.118  -43.687 1.00 23.19 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.079 -5.185  -41.815 1.00 17.09 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.931 -6.542  -41.251 1.00 16.28 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.849 -7.260  -42.056 1.00 17.03 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.595 -6.918  -43.229 1.00 18.32 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.243 -7.334  -41.199 1.00 18.03 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.305 -8.385  -40.071 1.00 21.17 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.318 -8.519  -39.324 1.00 17.32 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.428 -8.979  -39.773 1.00 25.88 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.229 -8.257  -41.432 1.00 15.92 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.219 -9.121  -42.082 1.00 16.64 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.143 -10.429 -41.298 1.00 16.72 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.745 -10.550 -40.184 1.00 17.38 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.876 -8.444  -42.277 1.00 15.30 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.125 -8.245  -40.978 1.00 16.96 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -34.947 -9.198  -40.231 1.00 18.56 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.724 -7.064  -40.666 1.00 16.60 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.532 -11.439 -41.879 1.00 17.23 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.559 -12.793 -41.287 1.00 18.26 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.659 -12.853 -40.037 1.00 16.40 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.845 -13.818 -39.270 1.00 17.39 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.044 -13.828 -42.298 1.00 22.34 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.611 -13.593 -42.714 1.00 26.29 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.139 -14.232 -44.016 1.00 36.47 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.629 -14.122 -44.104 1.00 42.21 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.099 -14.758 -45.336 1.00 50.01 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.744 -11.904 -39.853 1.00 15.92 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.842 -11.888 -38.649 1.00 15.78 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.564 -11.349 -37.396 1.00 15.86 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.125 -11.665 -36.255 1.00 16.64 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.620 -11.036 -38.934 1.00 18.05 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.722 -11.491 -40.082 1.00 21.77 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.591 -10.485 -40.261 1.00 28.68 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.610 -9.736  -41.269 1.00 36.55 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.714 -10.374 -39.375 1.00 34.27 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.601 -10.515 -37.519 1.00 13.66 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.144 -9.816  -36.334 1.00 13.62 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.858 -10.759 -35.404 1.00 13.34 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.710 -11.577 -35.771 1.00 14.17 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.142 -8.729  -36.742 1.00 13.45 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.556 -7.570  -37.513 1.00 14.60 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.493 -6.330  -37.469 1.00 14.06 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -36.981 -5.315  -38.360 1.00 14.77 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.873 -4.610  -38.144 1.00 14.61 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.276 -4.641  -36.964 1.00 13.30 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.397 -3.792  -39.083 1.00 17.50 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.564 -10.655 -34.114 1.00 11.87 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.370 -11.357 -33.102 1.00 11.76 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.803 -10.774 -33.072 1.00 13.25 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.952 -9.565  -32.860 1.00 13.62 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.796 -11.283 -31.693 1.00 12.29 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.548 -12.118 -31.535 1.00 11.22 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.663 -13.483 -31.296 1.00 11.79 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.277 -11.579 -31.609 1.00 11.81 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.537 -14.301 -31.189 1.00 12.06 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.154 -12.390 -31.421 1.00 12.20 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.297 -13.755 -31.218 1.00 11.02 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.825 -11.576 -33.340 1.00 14.41 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.215 -11.055 -33.544 1.00 15.31 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -41.962 -10.965 -32.223 1.00 15.63 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.734 -9.983  -32.054 1.00 18.03 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.952 -11.920 -34.550 1.00 15.93 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.077 -13.254 -34.126 1.00 15.76 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.829 -11.891 -31.306 1.00 13.86 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.764 -12.052 -30.159 1.00 15.55 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.274 -11.345 -28.904 1.00 14.31 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.068 -11.142 -27.968 1.00 15.79 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.048 -13.504 -29.794 1.00 17.01 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -43.935 -14.222 -30.807 1.00 19.84 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.734 -14.125 -32.015 1.00 22.74 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.901 -14.978 -30.304 1.00 24.06 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -40.976 -11.057 -28.816 1.00 12.23 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.388 -10.568 -27.549 1.00 11.76 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.409 -9.432  -27.860 1.00 11.50 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.882 -9.323  -28.974 1.00 12.04 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.591 -11.698 -26.886 1.00 12.05 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.288 -13.030 -26.779 1.00 13.88 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.321 -13.216 -25.872 1.00 15.93 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.976 -14.103 -27.598 1.00 14.42 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.980 -14.438 -25.754 1.00 17.90 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.644 -15.312 -27.526 1.00 15.27 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.653 -15.482 -26.596 1.00 16.09 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.270 -16.707 -26.514 1.00 16.93 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.115 -8.563  -26.865 1.00 11.23 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.233 -7.413  -27.075 1.00 10.93 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.717 -7.722  -27.050 1.00 10.48 ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.963 -7.197  -26.255 1.00 11.30 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.626 -6.422  -25.939 1.00 12.62 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.872 -7.020  -25.329 1.00 13.33 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.765 -8.496  -25.554 1.00 11.75 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.345 -8.613  -27.991 1.00 10.75 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -34.993 -9.204  -28.091 1.00 9.68  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.187 -8.607  -29.238 1.00 10.86 ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.693 -8.101  -30.276 1.00 10.48 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.116 -10.713 -28.271 1.00 10.84 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.704 -11.372 -27.086 1.00 10.24 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.166 -13.103 -27.485 1.00 12.03 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.753 -13.715 -25.916 1.00 13.26 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.858 -8.664  -29.071 1.00 10.20 ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.878 -8.202  -30.088 1.00 10.43 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.576 -8.997  -29.894 1.00 11.13 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.288 -9.387  -28.746 1.00 10.63 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.702 -6.666  -30.035 1.00 10.46 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.175 -6.189  -28.699 1.00 10.93 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.825 -6.143  -31.165 1.00 11.19 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.819 -9.170  -30.951 1.00 11.26 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.479 -9.808  -30.878 1.00 11.10 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.361 -8.800  -30.995 1.00 11.60 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.492 -7.723  -31.675 1.00 11.73 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.309 -10.872 -31.962 1.00 11.48 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.387 -11.923 -32.004 1.00 11.75 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.096 -13.017 -33.022 1.00 13.69 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.591 -12.568 -30.642 1.00 11.64 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.217 -9.133  -30.426 1.00 10.86 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.943 -8.471  -30.795 1.00 11.60 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.541 -8.777  -32.226 1.00 11.75 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.866 -9.844  -32.708 1.00 11.98 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.774 -7.894  -32.839 1.00 12.73 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.274 -8.076  -34.215 1.00 14.67 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.157 -9.123  -34.236 1.00 14.41 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.000 -9.818  -35.260 1.00 17.86 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.800 -6.747  -34.703 1.00 15.86 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.419 -9.208  -33.140 1.00 13.99 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.214 -10.082 -33.125 1.00 14.33 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.633 -11.555 -33.124 1.00 14.77 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.628 -11.940 -32.465 1.00 15.49 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.350 -9.714  -31.911 1.00 16.65 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.665 -8.355  -31.988 1.00 18.05 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.619 -7.184  -31.855 1.00 17.56 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.574 -7.256  -31.094 1.00 16.71 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.386 -6.092  -32.563 1.00 19.79 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.891 -12.402 -33.837 1.00 15.52 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.040 -13.863 -33.842 1.00 15.18 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.775 -14.490 -33.288 1.00 14.09 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.671 -14.043 -33.655 1.00 16.93 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.178 -14.424 -35.269 1.00 19.54 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.543 -14.267 -35.940 1.00 28.76 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.088 -12.863 -35.807 1.00 29.94 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -22.932 -12.114 -36.749 1.00 34.30 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.642 -12.590 -37.761 1.00 32.34 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.348 -11.748 -38.503 1.00 37.02 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.635 -13.869 -38.059 1.00 32.89 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.919 -15.432 -32.396 1.00 13.55 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.765 -16.110 -31.729 1.00 13.41 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.810 -17.608 -32.028 1.00 12.35 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.837 -18.261 -31.788 1.00 12.32 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.836 -15.866 -30.200 1.00 15.23 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.851 -14.400 -29.797 1.00 16.54 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.864 -13.562 -30.285 1.00 18.48 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.849 -13.856 -29.035 1.00 24.14 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.815 -12.212 -29.969 1.00 22.66 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.805 -12.493 -28.715 1.00 19.00 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.838 -11.694 -29.243 1.00 20.18 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.691 -18.175 -32.498 0.25 12.68 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.696 -18.173 -32.516 0.25 12.26 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.574 -19.624 -32.812 0.25 13.73 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.553 -19.622 -32.824 0.25 13.04 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.349 -20.251 -32.119 0.25 13.40 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.288 -20.199 -32.184 0.25 13.33 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.192 -21.492 -32.210 0.25 13.71 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.857 -21.287 -32.604 0.25 12.92 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.599 -19.853 -34.318 0.25 14.45 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.507 -19.862 -34.304 0.25 12.93 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -17.949 -19.741 -34.808 0.25 16.68 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.456 -19.119 -34.857 0.25 13.57 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.566 -19.455 -31.381 0.25 12.88 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.701 -19.497 -31.220 0.25 14.18 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.387 -19.924 -30.610 0.25 13.40 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.431 -19.911 -30.590 0.25 15.67 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.120 -18.958 -29.458 0.25 14.00 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.029 -18.892 -29.527 0.25 15.22 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.752 -17.907 -29.421 0.25 13.55 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.455 -17.721 -29.636 0.25 13.78 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.163 -20.020 -31.509 0.25 12.95 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.366 -20.040 -31.660 0.25 17.25 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.799 -18.740 -31.990 0.25 12.34 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.175 -20.566 -31.113 0.25 20.88 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.173 -19.301 -28.588 1.00 15.94 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.580 -18.329 -27.671 1.00 17.05 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.410 -18.062 -26.429 1.00 13.56 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.407 -18.745 -26.160 1.00 14.78 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.929 -17.073 -25.719 1.00 13.47 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.479 -16.611 -24.455 1.00 13.58 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.907 -15.158 -24.678 1.00 13.31 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.120 -14.326 -25.172 1.00 15.38 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.456 -16.758 -23.337 1.00 15.23 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.077 -18.190 -22.993 1.00 15.36 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.917  -18.244 -21.943 1.00 18.43 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.554  -19.664 -21.575 1.00 22.59 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.525  -19.672 -20.509 1.00 25.46 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.134 -14.835 -24.262 1.00 12.78 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.757 -13.510 -24.461 1.00 12.65 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.409 -13.059 -23.154 1.00 12.47 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -15.973 -13.892 -22.429 1.00 13.23 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.878 -13.604 -25.485 1.00 13.06 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.442 -13.760 -26.923 1.00 13.63 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.678 -15.322 -27.453 1.00 15.44 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.891 -16.538 -27.012 1.00 15.87 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.397 -11.773 -22.869 1.00 12.37 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -15.976 -11.188 -21.632 1.00 12.42 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.598 -9.853  -22.010 1.00 13.10 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.969 -9.031  -22.738 1.00 13.51 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.913 -11.005 -20.539 1.00 13.28 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.434 -10.391 -19.267 1.00 13.38 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.202 -11.138 -18.387 1.00 13.26 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.282 -9.033  -18.998 1.00 13.94 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.688 -10.600 -17.202 1.00 13.85 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.776 -8.472  -17.828 1.00 13.08 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.509 -9.235  -16.946 1.00 13.13 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.022 -8.675  -15.809 1.00 15.49 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.807 -9.601  -21.529 1.00 11.41 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.385 -8.239  -21.628 1.00 11.52 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.284 -7.972  -20.411 1.00 11.93 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.626 -8.913  -19.673 1.00 12.53 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.123 -8.041  -22.988 1.00 11.63 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.309 -8.912  -23.223 1.00 11.47 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.642 -8.623  -23.014 1.00 11.79 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.315 -10.228 -23.780 1.00 11.57 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.436 -9.661  -23.439 1.00 11.94 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.646 -10.679 -23.880 1.00 12.48 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.290 -11.092 -24.206 1.00 13.79 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -21.981 -11.916 -24.393 1.00 13.26 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.610 -12.330 -24.699 1.00 15.36 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.941 -12.739 -24.801 1.00 14.23 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.706 -6.705  -20.251 1.00 11.59 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.532 -6.264  -19.096 1.00 11.78 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.747 -5.484  -19.577 1.00 10.73 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.678 -4.777  -20.584 1.00 11.73 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.727 -5.396  -18.130 1.00 13.52 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.647 -6.222  -17.452 1.00 16.31 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.813 -5.478  -16.441 1.00 19.52 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.033 -4.227  -16.314 1.00 23.89 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.977 -6.151  -15.717 1.00 17.20 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.860 -5.700  -18.908 1.00 11.53 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.134 -5.053  -19.253 1.00 11.09 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.691 -4.381  -18.011 1.00 10.43 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.823 -5.015  -16.964 1.00 12.16 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.143 -6.064  -19.808 1.00 11.01 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.392 -5.349  -20.255 1.00 11.96 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.521 -6.944  -20.875 1.00 11.41 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.157 -3.138  -18.179 1.00 10.81 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.820 -2.333  -17.124 1.00 12.50 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.304 -2.609  -17.175 1.00 10.94 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.914 -2.495  -18.283 1.00 11.50 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.537 -0.833  -17.311 1.00 13.24 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.896 -0.016  -16.065 1.00 15.96 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.020 -0.038  -15.667 1.00 15.37 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -24.962 0.414   -15.334 1.00 20.93 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.901 -3.013  -16.051 1.00 10.98 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.336 -3.356  -15.876 1.00 11.33 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.016 -2.451  -14.839 1.00 12.09 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.092 -2.794  -14.354 1.00 12.65 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.484 -4.865  -15.544 1.00 11.74 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.906 -5.778  -16.648 1.00 11.55 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.874 -5.237  -14.201 1.00 12.24 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.392 -1.331  -14.490 1.00 13.01 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.887 -0.424  -13.446 1.00 14.49 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.383 -0.112  -13.633 1.00 14.30 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.814 0.265   -14.739 1.00 13.62 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.091 0.873   -13.464 1.00 14.67 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.707 0.624   -13.175 1.00 16.67 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.677 1.837   -12.455 1.00 17.25 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.154 -0.251  -12.553 0.50 15.68 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.582 0.165   -12.437 0.50 15.96 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.497 -0.661  -13.353 0.50 15.14 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.675 -0.281  -13.516 0.50 14.53 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.707 1.661   -12.743 0.50 18.57 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -35.068 2.291   -12.439 0.50 21.15 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -35.619 2.096   -11.042 0.50 21.13 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.924 1.803   -10.067 0.50 22.18 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -36.928 2.238   -10.949 0.50 25.75 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.041 -1.787  -13.913 1.00 13.97 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.983 -2.647  -14.647 1.00 13.13 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.671 -3.665  -13.741 1.00 11.66 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.044 -4.191  -12.760 1.00 14.49 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.271 -3.352  -15.778 1.00 12.69 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.811 -2.366  -16.866 1.00 12.87 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.320 -2.986  -18.147 1.00 13.77 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.402 -3.722  -18.905 1.00 12.68 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.594 -2.885  -19.239 1.00 11.57 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.918 -3.969  -14.045 1.00 10.32 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.731 -4.991  -13.358 1.00 11.32 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.644 -6.350  -14.045 1.00 10.88 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.005 -7.365  -13.459 1.00 11.71 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.218 -4.584  -13.310 1.00 11.90 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.481 -3.317  -12.512 1.00 13.27 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.954 -2.902  -12.619 1.00 13.26 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.345 -2.062  -11.800 1.00 16.75 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.683 -3.425  -13.501 1.00 14.86 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.305 -6.400  -15.324 1.00 10.46 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.310 -7.648  -16.090 1.00 10.05 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.336 -7.517  -17.250 1.00 11.19 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.308 -6.479  -17.937 1.00 11.09 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.698 -7.958  -16.605 1.00 11.47 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.626 -8.613  -17.519 1.00 10.67 ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.636 -8.693  -18.629 1.00 10.02 ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.124 -10.111 -18.723 1.00 10.60 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.209 -10.858 -17.778 1.00 10.72 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.449 -7.718  -18.444 1.00 10.43 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.775 -7.738  -17.111 1.00 10.78 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.981 -6.889  -16.079 1.00 11.67 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.803 -8.680  -16.591 1.00 10.26 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.198 -7.158  -15.007 1.00 11.51 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.513 -8.326  -15.271 1.00 11.47 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.178 -9.844  -17.110 1.00 11.31 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.558 -8.969  -14.484 1.00 11.63 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.275 -10.537 -16.325 1.00 12.02 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -29.999 -10.107 -15.012 1.00 12.07 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.599 -10.453 -19.889 1.00 10.05 ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.837 -11.712 -20.119 1.00 10.54 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.456 -11.317 -20.682 1.00 10.08 ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.416 -10.410 -21.550 1.00 9.95  ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.503 -12.674 -21.095 1.00 11.96 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.987 -12.901 -20.953 1.00 13.74 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.419 -12.923 -19.837 1.00 17.46 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.661 -13.055 -21.990 1.00 15.81 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.390 -12.022 -20.321 1.00 9.24  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.044 -11.754 -20.855 1.00 9.66  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.327 -13.091 -21.032 1.00 9.35  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.443 -13.996 -20.217 1.00 9.69  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.212 -10.905 -19.901 1.00 10.01 ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.553 -9.421  -19.777 1.00 11.44 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.708 -8.813  -18.642 1.00 12.09 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.354 -8.754  -21.102 1.00 11.84 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.472 -13.109 -22.044 1.00 8.49  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.525 -14.236 -22.194 1.00 9.26  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.971 -14.306 -23.605 1.00 8.76  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.578 -13.278 -24.181 1.00 9.45  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.862 -15.541 -24.113 0.25 8.89  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.956 -15.513 -24.154 0.25 9.21  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.468 -15.829 -25.525 0.25 9.44  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.398 -15.760 -25.510 0.25 9.87  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.468 -16.792 -26.151 0.25 9.69  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.265 -16.862 -26.142 0.25 10.00 ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.223 -17.482 -25.456 0.25 9.92  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.834 -17.662 -25.393 0.25 10.33 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.070 -16.452 -25.667 0.25 9.80  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.903 -16.108 -25.365 0.25 10.68 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.008 -15.453 -25.289 0.25 9.78  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.717 -17.439 -24.651 0.25 10.57 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.916 -17.737 -24.874 0.25 9.74  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.164 -16.074 -26.693 0.25 11.50 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.426 -16.868 -27.471 1.00 9.91  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.236 -17.850 -28.155 1.00 11.04 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.581 -18.240 -29.471 1.00 10.76 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.687 -17.526 -29.985 1.00 10.68 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.636 -17.317 -28.440 1.00 12.28 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.741 -15.893 -29.563 1.00 12.20 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.010 -19.371 -29.996 0.25 11.01 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -26.984 -19.386 -29.988 0.25 10.29 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.607 -19.772 -31.365 0.25 11.74 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.537 -19.829 -31.334 0.25 10.50 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.015 -18.699 -32.369 0.25 11.40 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.050 -18.840 -32.396 0.25 10.91 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.076 -18.077 -32.246 0.25 11.00 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.232 -18.410 -32.323 0.25 10.86 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.283 -21.079 -31.768 0.25 13.42 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.052 -21.251 -31.581 0.25 11.06 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.821 -22.229 -30.900 0.25 14.56 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.349 -21.982 -32.714 0.25 10.84 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.338 -23.570 -31.357 0.25 16.40 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.964 -23.334 -33.001 0.25 10.55 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -26.980 -24.616 -30.409 0.25 15.80 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.811 -24.183 -31.839 0.25 10.26 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.805 -25.577 -30.043 0.25 16.25 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.818 -24.759 -31.179 0.25 10.25 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.034 -25.597 -30.526 0.25 16.02 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.045 -24.675 -31.623 0.25 11.33 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.399 -26.507 -29.199 0.25 18.14 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.578 -25.442 -30.076 0.25 9.97  ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.227 -18.567 -33.427 1.00 12.05 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.616 -17.655 -34.527 1.00 12.98 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.927 -18.152 -35.137 1.00 14.44 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.672 -17.305 -35.669 1.00 17.06 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.509 -17.589 -35.571 1.00 14.95 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.114 -18.868 -36.261 1.00 17.53 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.571 -19.974 -35.854 1.00 19.98 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.327 -18.729 -37.253 1.00 21.09 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.221 -19.448 -35.122 1.00 12.95 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.402 -20.001 -35.836 1.00 14.72 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.650 -20.183 -34.946 1.00 12.81 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.566 -20.893 -35.340 1.00 14.53 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.036 -21.286 -36.491 1.00 17.16 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.557 -22.182 -35.557 1.00 17.23 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.714 -19.523 -33.781 1.00 11.99 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.948 -19.605 -32.959 1.00 12.87 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.154 -19.123 -33.770 1.00 12.91 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.055 -18.197 -34.588 1.00 13.60 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.849 -18.863 -31.606 1.00 12.63 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.845 -19.558 -30.694 1.00 12.45 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.624 -17.386 -31.751 1.00 11.98 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.282 -19.751 -33.479 1.00 14.04 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.637 -19.334 -33.943 1.00 15.78 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.847 -17.847 -33.627 1.00 13.74 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.542 -17.402 -32.531 1.00 14.57 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.655 -20.208 -33.208 1.00 17.59 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.130 -19.923 -33.494 1.00 20.90 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.034 -20.781 -32.611 1.00 24.41 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.625 -21.780 -31.963 1.00 25.77 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.316 -20.418 -32.544 1.00 26.32 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.400 -17.108 -34.564 1.00 12.83 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.692 -15.660 -34.436 1.00 12.24 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.199 -15.438 -34.314 1.00 13.35 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.562 -14.408 -33.698 1.00 13.42 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.165 -14.857 -35.604 1.00 12.80 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.689 -15.042 -35.925 1.00 13.19 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.758 -14.795 -34.718 1.00 13.34 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.381 -15.252 -35.029 1.00 14.85 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.480 -14.535 -35.666 1.00 13.79 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.746 -13.302 -36.030 1.00 16.34 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.305 -15.063 -35.970 1.00 17.04 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.050 -16.271 -34.920 1.00 13.41 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.506 -16.004 -35.045 1.00 14.07 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.304 -16.908 -34.137 1.00 15.62 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.919 -18.098 -33.967 1.00 17.23 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.909 -16.163 -36.509 1.00 14.41 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.087 -15.425 -37.526 1.00 15.40 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.034 -13.906 -37.284 1.00 16.38 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.266 -13.221 -38.371 1.00 16.35 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.216 -11.748 -38.196 1.00 16.54 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.372 -16.394 -33.559 1.00 16.06 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.262 -17.203 -32.728 1.00 15.91 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.779 -17.361 -31.301 1.00 17.30 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.798 -16.640 -30.885 1.00 17.00 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.432 -18.255 -30.574 1.00 17.69 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.166 -18.485 -29.140 1.00 18.32 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.115 -19.566 -28.969 1.00 18.59 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.013 -20.485 -29.795 1.00 18.60 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.480 -18.887 -28.457 1.00 22.32 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.442 -17.721 -28.477 1.00 29.57 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.830 -18.087 -28.050 1.00 38.44 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.195 -17.883 -26.893 1.00 48.12 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.591 -18.628 -28.995 1.00 43.74 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.242 -19.366 -27.987 1.00 15.90 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.219 -20.360 -27.619 1.00 15.87 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.721 -20.071 -26.209 1.00 15.64 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.875 -18.959 -25.684 1.00 17.15 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.040 -20.296 -28.590 1.00 15.65 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.412 -18.936 -28.733 1.00 15.76 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.418 -18.532 -27.859 1.00 16.34 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.768 -18.082 -29.766 1.00 15.89 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.803 -17.301 -28.017 1.00 14.90 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.154 -16.851 -29.930 1.00 15.45 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.177 -16.466 -29.039 1.00 15.28 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.148 -21.084 -25.565 0.25 16.62 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.140 -21.105 -25.602 0.25 15.74 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.520 -20.944 -24.228 0.25 16.68 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.484 -21.061 -24.273 0.25 15.39 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.009 -20.789 -24.389 0.25 15.01 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -36.999 -20.734 -24.454 0.25 14.31 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.417 -21.380 -25.321 0.25 14.92 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.418 -21.119 -25.515 0.25 14.39 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.826 -22.105 -23.346 0.25 19.38 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.661 -22.366 -23.543 0.25 16.48 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.652 -23.307 -24.070 0.25 22.47 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.034 -22.577 -23.222 0.25 17.39 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.419 -20.034 -23.474 1.00 13.75 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.966 -19.855 -23.415 1.00 14.11 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.376 -21.066 -22.723 1.00 14.02 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.463 -21.214 -21.513 1.00 15.19 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.607 -18.574 -22.668 1.00 14.23 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.079 -17.277 -23.301 1.00 16.13 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.726 -16.082 -22.405 1.00 16.38 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.546 -17.082 -24.703 1.00 17.53 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.676 -21.935 -23.453 1.00 12.94 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.088 -23.181 -22.924 1.00 13.37 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.880 -23.532 -23.769 1.00 11.73 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.878 -23.207 -24.954 1.00 11.45 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.033 -24.359 -22.930 1.00 15.13 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.415 -24.693 -24.258 1.00 18.20 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.945 -24.310 -23.250 1.00 11.70 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.837 -24.804 -24.072 1.00 13.28 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.336 -25.687 -25.222 1.00 13.06 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.768 -25.591 -26.349 1.00 13.61 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.926 -25.573 -23.095 1.00 13.75 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.226 -24.862 -21.754 1.00 13.69 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.717 -24.567 -21.818 1.00 13.56 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.419 -26.431 -25.028 1.00 13.91 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.003 -27.268 -26.118 1.00 16.31 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.405 -26.382 -27.300 1.00 15.28 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.356 -26.807 -28.474 1.00 16.63 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.175 -28.087 -25.583 1.00 19.91 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.784 -28.969 -24.414 1.00 29.63 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.149 -28.456 -23.018 1.00 35.25 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.379 -27.595 -22.403 1.00 23.62 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.204 -28.970 -22.504 1.00 42.38 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.870 -25.150 -27.053 1.00 13.09 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.265 -24.200 -28.121 1.00 13.93 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.108 -23.274 -28.510 1.00 12.70 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.317 -22.415 -29.384 1.00 13.61 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.497 -23.385 -27.709 1.00 15.34 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.778 -24.168 -27.684 1.00 17.19 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.862 -25.246 -28.297 1.00 19.42 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.729 -23.710 -26.875 1.00 18.63 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.894 -23.461 -28.003 1.00 11.02 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.727 -22.672 -28.406 1.00 10.83 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.489 -21.411 -27.607 1.00 10.31 ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.795 -20.529 -28.113 1.00 10.72 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.936 -21.371 -26.342 1.00 11.46 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.738 -20.176 -25.480 1.00 10.44 ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.068 -20.532 -24.146 1.00 9.79  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.514 -21.552 -23.525 1.00 11.28 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.087 -19.510 -25.122 1.00 11.00 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.854 -18.997 -26.317 1.00 10.47 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.790 -19.798 -26.941 1.00 10.87 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.751 -17.692 -26.752 1.00 10.70 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.500 -19.355 -28.054 1.00 12.14 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.476 -17.235 -27.830 1.00 12.21 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.373 -18.055 -28.452 1.00 11.42 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.114 -19.705 -23.714 1.00 8.98  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.427 -19.805 -22.400 1.00 9.06  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.591 -18.456 -21.719 1.00 8.71  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.851 -17.510 -22.026 1.00 9.66  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.967 -20.260 -22.560 1.00 9.27  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.876 -21.637 -23.176 1.00 9.43  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.804 -22.837 -22.538 1.00 10.86 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.900 -21.946 -24.592 1.00 9.91  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.841 -23.872 -23.454 1.00 11.39 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.875 -23.353 -24.710 1.00 11.05 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.951 -21.170 -25.759 1.00 10.73 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.939 -23.986 -25.967 1.00 12.21 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -25.995 -21.809 -26.986 1.00 12.38 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -25.996 -23.188 -27.081 1.00 12.58 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.606 -18.371 -20.853 1.00 9.28  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.107 -17.058 -20.372 1.00 9.11  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.441 -17.154 -18.871 1.00 9.57  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.718 -18.229 -18.336 1.00 9.61  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.358 -16.623 -21.134 1.00 10.62 ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.416 -17.539 -20.921 1.00 10.89 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.081 -16.409 -22.603 1.00 10.58 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.486 -15.965 -18.266 1.00 9.83  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.136 -15.733 -16.936 1.00 9.71  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.142 -14.592 -17.119 1.00 10.20 ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.075 -13.822 -18.119 1.00 10.31 ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.127 -15.402 -15.819 1.00 10.20 ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.424 -14.056 -16.001 1.00 10.52 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.111 -16.542 -15.726 1.00 11.03 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.600 -13.604 -14.797 1.00 10.58 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.001 -14.461 -16.127 1.00 10.12 ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.019 -13.391 -16.177 1.00 10.34 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.437 -12.949 -14.797 1.00 10.16 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.259 -13.629 -13.777 1.00 10.80 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.209 -13.816 -16.992 1.00 12.57 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.998 -14.945 -16.485 1.00 14.58 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.835 -14.946 -15.413 1.00 15.52 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.100 -16.217 -17.125 1.00 16.21 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.481 -16.138 -15.354 1.00 18.77 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.077 -16.932 -16.393 1.00 16.50 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.519 -16.779 -18.259 1.00 18.00 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.413 -18.240 -16.724 1.00 20.48 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.910 -18.043 -18.617 1.00 19.62 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.850 -18.742 -17.873 1.00 18.97 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.023 -11.744 -14.808 1.00 10.94 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.798 -11.190 -13.696 1.00 10.77 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.260 -11.155 -14.112 1.00 10.30 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.575 -10.677 -15.205 1.00 10.44 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.342 -9.782  -13.402 1.00 11.30 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.177 -9.016  -12.367 1.00 11.38 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.176 -9.658  -10.986 1.00 11.92 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.743 -7.572  -12.300 1.00 13.10 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.148 -11.597 -13.208 1.00 11.88 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.603 -11.601 -13.445 1.00 13.05 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.316 -11.645 -12.105 1.00 14.30 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.004 -12.522 -11.283 1.00 15.13 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.973 -12.794 -14.315 1.00 16.81 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.425 -13.036 -14.440 1.00 19.83 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.185 -14.046 -13.909 1.00 20.37 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.292 -12.220 -15.221 1.00 19.46 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.475 -13.883 -14.302 1.00 20.65 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.573 -12.784 -15.107 1.00 17.70 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.116 -11.092 -16.020 1.00 19.16 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.687 -12.262 -15.749 1.00 21.77 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.230 -10.530 -16.610 1.00 22.67 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.499 -11.099 -16.473 1.00 21.28 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.189 -10.651 -11.836 1.00 13.26 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -40.997 -10.671 -10.588 1.00 13.84 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.115 -10.867 -9.384  1.00 14.63 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.467 -11.705 -8.468  1.00 16.50 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.129 -11.679 -10.705 1.00 14.92 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.040 -11.412 -11.886 1.00 16.26 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.301 -12.229 -11.946 1.00 17.97 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.251 -11.882 -12.665 1.00 20.92 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.347 -13.304 -11.183 1.00 16.99 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.101 -10.040 -9.258  1.00 15.37 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.266 -9.916  -8.055  1.00 19.54 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.476 -11.209 -7.758  1.00 19.30 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.864 -11.246 -6.660  1.00 27.17 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.206 -9.602  -6.883  1.00 23.35 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.533 -8.974  -5.706  1.00 32.33 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.563 -8.209  -5.904  1.00 37.22 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.033 -9.234  -4.585  1.00 47.18 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.347 -12.127 -8.720  1.00 15.97 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.461 -13.326 -8.588  1.00 17.83 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.542 -13.440 -9.812  1.00 15.49 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.917 -13.061 -10.962 1.00 14.67 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.279 -14.542 -8.249  1.00 20.87 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.836 -15.113 -9.384  1.00 32.06 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.352 -13.959 -9.586  1.00 13.04 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.355 -14.252 -10.648 1.00 11.88 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.312 -15.746 -10.901 1.00 11.31 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.311 -16.532 -9.952  1.00 12.83 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.993 -13.717 -10.235 1.00 11.86 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.946 -12.211 -9.978  1.00 12.44 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.200 -11.662 -8.729  1.00 13.07 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.547 -11.345 -10.978 1.00 12.00 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.111 -10.290 -8.511  1.00 13.54 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.492 -9.972  -10.794 1.00 12.45 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.737 -9.458  -9.540  1.00 12.73 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.735 -8.096  -9.306  1.00 13.96 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.307 -16.148 -12.176 0.25 11.32 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.320 -16.127 -12.183 0.25 11.30 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.292 -17.582 -12.573 0.25 11.87 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.310 -17.541 -12.642 0.25 11.80 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.374 -17.801 -13.777 0.25 10.73 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.223 -17.731 -13.710 0.25 10.36 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.349 -16.961 -14.678 0.25 10.87 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.847 -16.758 -14.409 0.25 9.75  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.698 -18.073 -12.889 0.25 13.14 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.682 -17.953 -13.171 0.25 13.30 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.654 -17.977 -11.706 0.25 14.63 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.810 -17.847 -12.141 0.25 15.56 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.077 -18.357 -12.069 0.25 16.11 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.978 -19.034 -11.199 0.25 16.77 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.494 -18.050 -13.201 0.25 17.85 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.540 -20.155 -11.536 0.25 20.76 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.768 -18.960 -11.222 0.25 16.50 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.592 -18.845 -10.142 0.25 21.82 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.715 -18.965 -13.815 1.00 10.40 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.965 -19.403 -14.996 1.00 11.06 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.898 -20.143 -15.938 1.00 11.16 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.762 -20.952 -15.515 1.00 11.64 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.812 -20.305 -14.603 1.00 11.39 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.729 -19.868 -17.236 1.00 11.00 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.508 -20.460 -18.336 1.00 11.63 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.146 -21.895 -18.640 1.00 12.11 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.853 -22.231 -19.775 1.00 14.07 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.131 -22.771 -17.662 1.00 14.12 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.151 -24.220 -17.870 1.00 14.98 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.577 -24.693 -18.129 1.00 14.91 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.511 -23.916 -17.950 1.00 17.59 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.532 -24.848 -16.642 1.00 12.63 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.213 -24.403 -15.439 1.00 13.34 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.084 -24.538 -16.456 1.00 14.27 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.749 -25.988 -18.432 1.00 18.52 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.095 -26.561 -18.618 1.00 21.61 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.258 -27.754 -17.682 1.00 22.83 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.601 -28.772 -17.848 1.00 25.07 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.349 -26.953 -20.063 1.00 27.10 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.704 -27.383 -20.192 1.00 29.57 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.019 -27.615 -16.580 1.00 20.66 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.696 -26.381 -16.206 1.00 20.39 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.722 -25.375 -15.554 1.00 17.30 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.562 -25.713 -15.301 1.00 16.25 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.750 -26.855 -15.213 1.00 24.43 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.089 -28.015 -14.523 1.00 23.82 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.229 -28.689 -15.581 1.00 22.59 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.190 -24.149 -15.363 1.00 16.50 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.351 -23.021 -14.889 1.00 15.24 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.813 -23.279 -13.473 1.00 13.45 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.456 -24.008 -12.688 1.00 14.98 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.059 -21.672 -14.993 1.00 20.09 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.170 -21.444 -14.004 1.00 27.93 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.513 -21.682 -14.642 1.00 37.28 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.692 -22.562 -15.491 1.00 43.13 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.483 -20.908 -14.189 1.00 46.55 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.660 -22.692 -13.178 1.00 12.11 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.957 -22.866 -11.883 1.00 11.65 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.992 -21.564 -11.097 1.00 11.24 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.524 -20.540 -11.590 1.00 12.56 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.537 -23.381 -12.145 1.00 11.89 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.590 -24.613 -12.867 1.00 12.66 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.801 -23.532 -10.842 1.00 12.37 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.388 -21.638 -9.826  1.00 12.12 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.329 -20.495 -8.900  1.00 12.67 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.897 -20.024 -8.663  1.00 12.22 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -30.989 -20.872 -8.411  1.00 14.23 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.986 -20.932 -7.583  1.00 15.75 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.345 -21.248 -7.844  1.00 17.93 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.838 -19.882 -6.513  1.00 18.55 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.647 -18.730 -8.756  1.00 11.59 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.340 -18.125 -8.450  1.00 10.85 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.420 -17.544 -7.026  1.00 12.78 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.551 -17.258 -6.527  1.00 16.42 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.917 -17.050 -9.469  1.00 11.53 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.822 -17.563 -10.901 1.00 10.84 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.586 -16.434 -11.908 1.00 11.46 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.742 -18.641 -11.039 1.00 11.70 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.287 -17.420 -6.384  1.00 12.07 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.180 -16.953 -4.971  1.00 12.62 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.364 -15.668 -4.996  1.00 13.79 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.105 -15.712 -5.021  1.00 18.36 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.508 -18.044 -4.139  1.00 13.64 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.287 -19.313 -4.082  1.00 14.19 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.994 -20.391 -4.906  1.00 15.73 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.360 -19.673 -3.364  1.00 15.82 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.868 -21.356 -4.653  1.00 17.74 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.685 -20.969 -3.700  1.00 15.97 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -29.010 -14.524 -5.021  1.00 15.97 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.364 -13.193 -5.151  1.00 19.54 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.779 -12.350 -3.915  1.00 18.33 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.979 -12.125 -3.687  1.00 24.39 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.772 -12.570 -6.508  1.00 20.17 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.236 -13.422 -7.683  1.00 18.72 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.340 -11.102 -6.509  1.00 23.65 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.401 -12.840 -9.083  1.00 20.31 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.810 -12.020 -3.099  1.00 21.82 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -28.033 -11.207 -1.865  1.00 22.92 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.985 -9.717  -2.231  1.00 21.99 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.772 -8.942  -1.641  1.00 22.36 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.950 -11.557 -0.833  1.00 26.01 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -27.047 -10.792 0.492   1.00 35.25 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.358 -10.990 1.228   1.00 40.53 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -29.082 -11.968 1.025   1.00 48.73 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.696 -10.027 2.078   1.00 42.51 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.169 -9.350  -3.219  1.00 18.94 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.974 -7.923  -3.651  1.00 17.97 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.516 -7.737  -5.061  1.00 17.88 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.875 -8.203  -6.013  1.00 16.55 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.504 -7.509  -3.609  1.00 18.53 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.277 -6.071  -4.110  1.00 19.27 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.921 -7.652  -2.204  1.00 20.79 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.726 -7.175  -5.266  1.00 15.67 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.287 -7.084  -6.614  1.00 15.99 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.291 -6.398  -7.517  1.00 15.36 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.771 -5.330  -7.246  1.00 16.03 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.571 -6.248  -6.399  1.00 19.37 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.967 -6.657  -4.964  1.00 19.99 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.674 -6.699  -4.231  1.00 19.74 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.916 -7.008  -8.659  1.00 14.00 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.918 -6.425  -9.531  1.00 14.02 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.411 -5.200  -10.303 1.00 13.51 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.503 -5.249  -10.839 1.00 14.93 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.491 -7.599  -10.440 1.00 14.97 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.603 -8.552  -10.375 1.00 16.60 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.228 -8.407  -9.014  1.00 14.07 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.531 -4.229  -10.422 1.00 13.88 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.728 -3.111  -11.394 1.00 14.48 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.937 -3.348  -12.681 1.00 13.51 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.237 -2.767  -13.708 1.00 12.72 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.348 -1.758  -10.825 1.00 17.41 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.365 -1.317  -9.381  1.00 23.17 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.864 -4.154  -12.637 0.25 13.67 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.993 -4.287  -12.614 0.25 13.77 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.125 -4.574  -13.864 0.25 13.68 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.113 -4.623  -13.753 0.25 14.30 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.746 -6.057  -13.747 0.25 12.83 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.849 -6.132  -13.701 0.25 13.19 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.329 -6.498  -12.652 0.25 11.68 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.713 -6.699  -12.585 0.25 11.75 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.842 -3.784  -14.149 0.25 15.02 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.831 -3.792  -13.710 0.25 16.38 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.035 -2.298  -14.408 0.25 16.47 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.054 -2.298  -13.875 0.25 18.40 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.960 -1.529  -13.113 0.25 18.68 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.812 -1.546  -14.288 0.25 19.97 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.223 -1.898  -12.197 0.25 18.90 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.734 -2.111  -14.463 0.25 25.24 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.756 -0.473  -13.016 0.25 19.05 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.962 -0.248  -14.454 0.25 22.78 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.884 -6.766  -14.874 1.00 11.99 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.692 -8.232  -15.023 1.00 11.60 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.460 -8.381  -15.914 1.00 12.61 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.401 -7.793  -17.019 1.00 11.73 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.944 -8.866  -15.646 1.00 12.57 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.251 -8.689  -14.847 1.00 14.75 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.667 -10.344 -15.937 1.00 12.89 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.275 -9.416  -13.603 1.00 13.97 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.539 -9.267  -15.522 1.00 12.73 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.436 -9.712  -16.385 1.00 11.96 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.718 -11.084 -16.968 1.00 11.63 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.283 -11.942 -16.298 1.00 11.72 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.479 -11.226 -18.277 1.00 11.41 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.730 -12.497 -19.023 1.00 11.23 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.405 -12.971 -19.620 1.00 12.08 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.714 -12.226 -20.304 1.00 11.70 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.769 -12.261 -20.135 1.00 12.86 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.070 -11.738 -19.525 1.00 13.35 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -21.984 -13.538 -20.943 1.00 13.64 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.123 -11.355 -20.497 1.00 15.98 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.049 -14.198 -19.296 1.00 11.86 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.790 -14.859 -19.736 1.00 11.77 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.145 -16.104 -20.531 1.00 11.34 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.937 -16.941 -20.077 1.00 11.89 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.931 -15.279 -18.541 1.00 12.93 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.672 -16.033 -18.916 1.00 14.06 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.652 -15.414 -19.606 1.00 15.20 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.495 -17.349 -18.544 1.00 15.07 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.491 -16.126 -19.931 1.00 17.25 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.362 -18.070 -18.912 1.00 17.00 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.358 -17.444 -19.580 1.00 15.59 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.585 -16.198 -21.735 1.00 12.04 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.748 -17.378 -22.622 1.00 12.35 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.374 -17.987 -22.905 1.00 11.06 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.473 -17.289 -23.382 1.00 12.68 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.486 -17.054 -23.929 1.00 11.77 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.616 -18.318 -24.780 1.00 13.63 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.854 -16.416 -23.622 1.00 12.92 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.224 -19.267 -22.596 1.00 10.81 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.037 -20.068 -23.025 1.00 13.31 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.547 -21.074 -24.053 1.00 11.46 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.180 -22.092 -23.687 1.00 11.85 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.327 -20.691 -21.847 1.00 12.76 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.058 -21.455 -22.222 1.00 15.34 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.953 -21.903 -23.388 1.00 15.91 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.227 -21.600 -21.263 1.00 19.35 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.322 -20.766 -25.351 1.00 12.79 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.879 -21.591 -26.441 1.00 12.58 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.360 -23.044 -26.370 1.00 13.73 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.113 -23.981 -26.333 1.00 14.36 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.625 -20.969 -27.823 1.00 12.29 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.562 -21.565 -28.861 1.00 12.54 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.383 -22.846 -29.369 1.00 12.67 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.699 -20.890 -29.267 1.00 12.57 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.281 -23.409 -30.255 1.00 12.63 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.612 -21.434 -30.155 1.00 12.47 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.397 -22.699 -30.678 1.00 12.25 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.284 -23.308 -31.510 1.00 12.68 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.071 -23.169 -26.225 1.00 14.87 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.432 -24.515 -26.281 1.00 15.28 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.875 -25.332 -25.080 1.00 15.28 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.202 -26.534 -25.242 1.00 17.10 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.912 -24.405 -26.315 1.00 16.87 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.401 -24.175 -27.738 1.00 25.55 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.848 -22.910 -28.371 1.00 29.59 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.195 -22.945 -29.519 1.00 24.48 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.897 -21.881 -27.657 1.00 32.11 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.917 -24.738 -23.894 1.00 13.74 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.297 -25.459 -22.674 1.00 14.69 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.800 -25.759 -22.615 1.00 14.77 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.216 -26.613 -21.822 1.00 16.46 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.867 -24.692 -21.449 1.00 16.17 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.639 -25.075 -23.374 1.00 12.57 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.086 -25.223 -23.277 1.00 11.94 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.625 -24.602 -21.983 1.00 11.11 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.418 -25.281 -21.306 1.00 12.23 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.248 -23.360 -21.695 1.00 11.36 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.613 -22.668 -20.415 1.00 11.57 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.204 -21.292 -20.728 1.00 11.36 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.624 -20.528 -21.517 1.00 12.05 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.385 -22.524 -19.511 1.00 12.06 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.684 -21.577 -18.331 1.00 12.94 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.945 -23.898 -19.045 1.00 12.93 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.319 -20.983 -20.069 1.00 10.84 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.868 -19.598 -19.999 1.00 10.11 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.081 -19.256 -18.510 1.00 10.02 ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.843 -19.984 -17.848 1.00 11.01 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.198 -19.492 -20.770 1.00 10.35 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.705 -18.039 -20.744 1.00 10.63 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.056 -19.990 -22.196 1.00 10.61 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.447 -18.205 -18.037 1.00 9.87  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.544 -17.804 -16.619 1.00 10.52 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.008 -16.352 -16.516 1.00 10.55 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.707 -15.522 -17.361 1.00 11.21 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.204 -17.977 -15.908 1.00 10.25 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.866 -19.356 -15.813 1.00 11.49 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.706 -16.093 -15.427 1.00 10.13 ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.318 -14.789 -15.127 1.00 9.76  ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.792 -14.322 -13.784 1.00 10.50 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.809 -15.116 -12.791 1.00 10.79 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.858 -14.903 -15.103 1.00 9.91  ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.459 -15.306 -16.434 1.00 9.75  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.504 -16.646 -16.846 1.00 9.69  ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.951 -14.327 -17.300 1.00 10.14 ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -25.002 -16.988 -18.104 1.00 10.33 ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.450 -14.694 -18.562 1.00 9.47  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.496 -16.021 -18.951 1.00 9.30  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.493 -13.036 -13.693 1.00 10.23 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.846 -12.420 -12.511 1.00 11.63 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.641 -11.183 -12.095 1.00 12.66 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.083 -10.380 -12.905 1.00 12.77 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.367 -12.119 -12.752 1.00 11.97 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.563 -13.364 -13.030 1.00 12.45 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.048 -14.155 -12.017 1.00 12.90 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.361 -13.807 -14.327 1.00 12.99 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.379 -15.336 -12.285 1.00 13.45 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.669 -14.974 -14.611 1.00 13.37 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.135 -15.730 -13.586 1.00 13.62 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.484 -16.926 -13.825 1.00 15.69 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.683 -10.949 -10.782 1.00 12.64 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.371 -9.779  -10.154 1.00 12.65 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.326 -8.680  -9.972  1.00 12.91 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.579 -8.702  -8.968  1.00 14.61 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.990 -10.233 -8.838  1.00 12.33 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.801 -9.137  -8.153  1.00 13.47 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.625 -7.966  -8.523  1.00 14.80 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.725 -9.513  -7.307  1.00 13.99 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.258 -7.688  -10.850 1.00 14.14 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.180 -6.680  -10.810 1.00 15.17 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.427 -5.783  -9.578  1.00 16.56 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.437 -5.330  -8.969  1.00 18.30 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.152 -5.903  -12.134 1.00 15.94 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.948 -6.795  -13.371 1.00 16.86 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.123 -4.782  -12.097 1.00 17.29 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.921 -7.887  -13.165 1.00 20.10 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.677 -5.573  -9.201  1.00 15.81 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.074 -4.719  -8.029  1.00 16.27 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.540 -5.355  -6.745  1.00 19.51 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.109 -4.598  -5.844  1.00 23.30 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.607 -4.590  -7.976  1.00 15.53 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.014 -4.118  -9.258  1.00 15.99 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.033 -3.607  -6.900  1.00 18.47 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.481 -6.682  -6.654  1.00 17.77 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.965 -7.447  -5.479  1.00 18.19 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.545 -7.981  -5.737  1.00 18.87 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.343 -9.192  -5.573  1.00 19.82 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.981 -8.483  -5.084  1.00 17.78 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.607 -9.276  -3.863  1.00 22.93 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.140 -8.642  -2.903  1.00 23.64 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.770 -10.509 -3.911  1.00 21.89 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.621 -7.126  -6.148  1.00 20.75 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.171 -7.431  -6.256  1.00 24.76 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.974 -8.646  -7.175  1.00 23.09 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -16.117 -9.488  -6.916  1.00 25.17 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.543 -7.787  -4.897  1.00 29.29 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.838 -6.891  -3.733  1.00 36.79 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.205 -5.675  -3.554  1.00 43.61 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.642 -7.067  -2.659  1.00 41.73 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.633 -5.117  -2.434  1.00 46.26 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.518 -5.957  -1.860  1.00 43.26 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.812 -8.802  -8.191  1.00 18.27 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.586 -9.855  -9.199  1.00 16.33 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -18.025 -11.233 -8.767  1.00 14.96 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.478 -12.158 -9.364  1.00 15.58 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.856 -11.382 -7.750  1.00 14.72 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.225 -12.721 -7.225  1.00 13.51 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.907 -13.551 -8.312  1.00 13.59 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.690 -13.026 -9.155  1.00 13.48 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.084 -12.617 -6.004  1.00 14.96 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.263 -11.849 -6.221  1.00 15.86 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.703 -14.842 -8.295  1.00 12.80 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.352 -15.733 -9.290  1.00 11.96 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.849 -15.802 -9.064  1.00 11.52 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.368 -16.038 -7.945  1.00 12.32 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.729 -17.134 -9.189  1.00 12.36 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.290 -18.196 -10.154 1.00 12.38 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.907 -17.925 -11.592 1.00 12.61 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.743 -19.599 -9.748  1.00 13.11 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.607 -15.678 -10.153 1.00 10.40 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.054 -15.898 -10.200 1.00 11.20 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.362 -17.327 -10.658 1.00 10.46 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.202 -17.998 -10.089 1.00 10.58 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.714 -14.806 -11.075 1.00 11.34 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.565 -13.407 -10.487 1.00 11.19 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.177 -15.134 -11.308 1.00 11.01 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.990 -12.300 -11.397 1.00 12.20 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.831 -17.706 -11.834 1.00 10.26 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.185 -19.017 -12.416 1.00 9.76  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.146 -19.397 -13.462 1.00 9.33  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.669 -18.518 -14.211 1.00 10.87 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.567 -18.963 -13.121 1.00 10.18 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.109 -20.317 -13.480 1.00 10.27 ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.751 -21.117 -12.532 1.00 10.85 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.992 -20.813 -14.765 1.00 10.00 ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.162 -22.394 -12.844 1.00 10.81 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.409 -22.085 -15.085 1.00 10.73 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -27.018 -22.861 -14.132 1.00 10.90 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.402 -24.166 -14.353 1.00 13.06 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.888 -20.715 -13.559 1.00 9.84  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.052 -21.333 -14.613 1.00 10.32 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.832 -22.432 -15.302 1.00 10.72 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.198 -23.437 -14.682 1.00 11.49 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.727 -21.875 -14.047 1.00 10.99 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.945 -20.752 -13.628 1.00 11.63 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.971 -22.714 -15.064 1.00 12.47 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.026 -22.265 -16.619 1.00 10.04 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.432 -23.364 -17.523 1.00 11.02 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.125 -24.043 -17.960 1.00 10.74 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.251 -23.391 -18.542 1.00 11.27 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.089 -22.840 -18.797 1.00 11.38 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.464 -22.237 -18.638 1.00 9.56  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.635 -20.881 -18.392 1.00 9.70  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.598 -22.978 -18.854 1.00 9.88  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.918 -20.346 -18.312 1.00 10.19 ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.875 -22.443 -18.762 1.00 10.42 ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -28.016 -21.109 -18.510 1.00 9.56  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -22.010 -25.329 -17.647 1.00 12.41 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.866 -26.117 -18.123 1.00 13.41 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.380 -27.262 -18.989 1.00 12.52 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.601 -27.520 -19.073 1.00 13.99 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.051 -26.550 -16.938 1.00 15.11 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.736 -27.492 -16.192 1.00 18.29 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.429 -27.926 -19.674 1.00 14.41 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.770 -29.002 -20.658 1.00 16.26 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.717 -28.449 -21.732 1.00 14.46 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.667 -29.155 -22.202 1.00 16.28 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.410 -30.213 -19.979 1.00 18.72 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.764 -30.696 -18.697 1.00 23.81 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.377 -32.033 -18.344 1.00 34.56 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.445 -32.057 -17.680 1.00 38.62 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.874 -33.039 -18.879 1.00 41.54 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.496 -27.188 -22.102 1.00 13.25 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.358 -26.553 -23.122 1.00 12.54 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.111 -27.205 -24.495 1.00 13.07 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.899 -27.410 -24.846 1.00 14.90 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.184 -25.043 -23.260 1.00 12.11 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.574 -24.110 -21.756 1.00 12.86 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.170 -27.421 -25.247 1.00 12.99 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.031 -27.917 -26.636 1.00 14.13 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.481 -26.754 -27.528 1.00 12.82 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.644 -26.686 -27.920 1.00 14.88 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.782 -29.263 -26.806 1.00 16.98 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.643 -29.721 -28.260 1.00 17.37 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.256 -30.314 -25.829 1.00 17.89 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.576 -25.843 -27.868 1.00 12.09 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.902 -24.604 -28.613 1.00 12.34 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.472 -24.979 -29.988 1.00 14.06 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.496 -24.414 -30.416 1.00 13.90 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.705 -23.675 -28.615 1.00 12.46 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.277 -23.181 -27.250 1.00 11.24 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.233 -22.678 -26.363 1.00 11.48 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.942 -23.168 -26.874 1.00 13.02 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.842 -22.209 -25.113 1.00 11.98 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.558 -22.707 -25.626 1.00 12.65 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.502 -22.180 -24.773 1.00 12.47 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.787 -25.868 -30.710 1.00 13.03 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.247 -26.442 -31.993 1.00 13.36 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.362 -25.359 -33.084 1.00 13.65 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.175 -25.559 -34.053 1.00 14.08 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.512 -27.209 -31.808 1.00 14.02 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.598 -24.301 -32.993 1.00 13.95 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.618 -23.225 -33.994 1.00 13.99 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.908 -21.986 -33.499 1.00 12.77 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.497 -21.934 -32.301 1.00 12.87 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.798 -20.952 -34.317 1.00 12.28 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.323 -19.647 -33.880 1.00 12.35 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.272 -19.091 -32.801 1.00 12.30 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.484 -19.352 -32.837 1.00 12.87 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.331 -18.752 -35.128 1.00 12.65 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.463 -19.755 -36.287 1.00 13.35 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.180 -20.938 -35.745 1.00 12.29 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.685 -18.374 -31.863 1.00 11.37 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.468 -17.701 -30.778 1.00 10.91 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.575 -16.203 -31.013 1.00 11.37 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.618 -15.582 -31.476 1.00 12.65 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.809 -17.962 -29.421 1.00 11.54 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.818 -19.393 -28.881 1.00 12.15 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -20.977 -19.442 -27.635 1.00 12.88 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.252 -19.860 -28.627 1.00 12.74 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.704 -15.631 -30.580 1.00 11.49 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.942 -14.180 -30.578 1.00 11.21 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.358 -13.724 -29.188 1.00 10.08 ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.134 -14.410 -28.525 1.00 10.52 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -24.993 -13.826 -31.631 1.00 12.42 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.482 -14.151 -33.036 1.00 14.06 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.405 -13.800 -34.163 1.00 15.39 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.480 -12.356 -34.247 1.00 14.44 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.189 -11.732 -35.177 1.00 15.36 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.798 -12.426 -36.109 1.00 15.85 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.250 -10.419 -35.175 1.00 15.07 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.922 -12.526 -28.765 1.00 9.89  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.452 -11.941 -27.522 1.00 10.28 ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -25.978 -11.772 -27.684 1.00 9.77  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.458 -11.416 -28.760 1.00 10.12 ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.764 -10.585 -27.409 1.00 10.62 ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.462 -10.753 -28.220 1.00 11.82 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.878 -11.662 -29.354 1.00 11.94 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.718 -12.063 -26.619 1.00 9.25  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.193 -12.074 -26.607 1.00 9.17  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.710 -11.138 -25.500 1.00 8.95  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.230 -11.138 -24.364 1.00 8.96  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.687 -13.497 -26.347 1.00 9.94  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.183 -13.598 -26.171 1.00 10.37 ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.023 -13.577 -27.267 1.00 10.63 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.757 -13.635 -24.910 1.00 11.33 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.399 -13.648 -27.100 1.00 11.09 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.129 -13.652 -24.750 1.00 10.88 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.941 -13.669 -25.839 1.00 11.46 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.790 -10.390 -25.837 1.00 9.17  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.395 -9.378  -24.946 1.00 9.26  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.915 -9.458  -25.071 1.00 9.47  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.431 -9.503  -26.180 1.00 10.29 ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.956 -7.947  -25.309 1.00 9.85  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.448 -7.792  -25.430 1.00 9.42  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.795 -8.114  -26.609 1.00 9.99  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.671 -7.335  -24.369 1.00 10.88 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.407 -8.046  -26.720 1.00 9.66  ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.298 -7.213  -24.500 1.00 10.67 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.662 -7.574  -25.675 1.00 11.17 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.598 -9.259  -23.955 1.00 9.76  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.064 -9.023  -23.924 1.00 9.58  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.282 -7.881  -22.933 1.00 8.83  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.982 -8.036  -21.744 1.00 9.89  ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.866 -10.252 -23.496 1.00 9.85  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.366 -10.069 -23.613 1.00 11.41 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.840 -8.991  -23.912 1.00 12.03 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.096 -11.126 -23.383 1.00 13.01 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.792 -6.730  -23.396 1.00 9.39  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.057 -5.563  -22.504 1.00 9.91  ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.317 -5.813  -21.663 1.00 10.44 ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.573 -4.997  -20.752 1.00 11.19 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.160 -4.216  -23.249 1.00 11.03 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.866 -3.882  -23.930 1.00 11.67 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.327 -4.212  -24.221 1.00 11.49 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.134 -6.815  -22.006 1.00 10.42 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.425 -7.069  -21.331 1.00 11.24 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.510 -6.104  -21.743 1.00 10.85 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.298 -5.046  -22.340 1.00 10.79 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.742 -6.563  -21.507 1.00 11.76 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.948 -5.727  -21.687 1.00 11.44 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -41.975 -4.656  -20.635 1.00 10.94 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.286 -4.721  -19.617 1.00 10.89 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.237 -6.546  -21.750 1.00 12.31 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.336 -7.448  -22.958 1.00 13.28 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.707 -6.965  -24.198 1.00 15.73 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.064 -8.809  -22.824 1.00 14.68 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.779 -7.824  -25.300 1.00 16.40 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.161 -9.652  -23.919 1.00 16.77 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.558 -9.164  -25.124 1.00 16.08 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.829 -3.673  -20.882 1.00 11.29 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.050 -2.562  -19.906 1.00 10.20 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.574 -2.400  -19.706 1.00 11.12 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.089 -1.267  -19.742 1.00 12.61 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.379 -1.283  -20.364 1.00 11.71 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.402 -0.207  -19.323 1.00 11.99 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.462 -0.437  -18.130 1.00 11.48 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.375 1.029   -19.793 1.00 13.84 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.236 -3.457  -19.317 1.00 11.73 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.671 -3.399  -18.940 1.00 11.21 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.839 -2.594  -17.659 1.00 12.30 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.910 -1.947  -17.455 1.00 13.32 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.262 -4.804  -18.724 1.00 12.19 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.318 -5.669  -19.952 1.00 14.81 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.283 -5.445  -20.920 1.00 18.33 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.487 -6.768  -20.097 1.00 16.53 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.312 -6.180  -22.104 1.00 19.01 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.527 -7.527  -21.267 1.00 16.93 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.443 -7.238  -22.247 1.00 18.77 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.531 -8.015  -23.391 1.00 24.13 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.881 -2.574  -16.747 1.00 11.09 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -45.970 -2.018  -15.373 1.00 12.36 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.699 -0.510  -15.398 1.00 12.20 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.006 0.167   -14.404 1.00 13.70 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.006 -2.652  -14.426 1.00 12.54 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.666 -2.365  -14.857 1.00 12.83 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.031 0.000   -16.429 1.00 11.58 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.525 1.393   -16.369 1.00 11.53 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.270 1.535   -15.537 1.00 12.33 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.800 2.671   -15.376 1.00 14.95 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.722 0.435   -14.996 1.00 11.55 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.509 0.470   -14.179 1.00 11.17 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.313 -0.216  -14.855 1.00 11.98 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.250 -0.272  -14.196 1.00 13.19 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.418 -0.563  -16.118 1.00 10.72 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.349 -1.294  -16.824 1.00 10.56 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.899 -0.585  -18.104 1.00 10.14 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.356 -1.267  -18.983 1.00 11.34 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.719 -2.754  -17.117 1.00 10.57 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.517 -3.621  -17.431 1.00 10.53 ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.473 -3.428  -16.822 1.00 10.82 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.680 -4.529  -18.366 1.00 11.10 ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.981 0.728   -18.177 1.00 10.96 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.568 1.456   -19.401 1.00 11.96 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.049 1.579   -19.546 1.00 12.12 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.605 1.863   -20.665 1.00 13.36 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.157 2.876   -19.382 1.00 12.29 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.297 1.418   -18.461 1.00 11.99 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.847 1.716   -18.509 1.00 11.61 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.163 0.826   -19.557 1.00 12.32 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.525 -0.328  -19.792 1.00 11.87 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.222 1.548   -17.160 1.00 12.48 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.060 1.318   -20.148 1.00 11.73 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.323 0.552   -21.157 1.00 11.77 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.402 -0.548  -20.581 1.00 10.54 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.075 -0.504  -19.399 1.00 11.27 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.424 1.623   -21.811 1.00 13.52 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.168 2.599   -20.719 1.00 15.23 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.475 2.653   -19.932 1.00 14.44 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.020 -1.478  -21.444 1.00 12.01 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.771 -2.247  -21.271 1.00 11.23 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.639 -1.439  -21.906 1.00 11.03 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.804 -0.959  -23.065 1.00 13.65 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.927 -3.603  -21.921 1.00 10.91 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.962 -4.552  -21.291 1.00 11.86 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.113 -5.841  -22.088 1.00 12.31 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.589 -4.958  -19.875 1.00 13.59 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.491 -1.362  -21.235 1.00 11.16 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.337 -0.596  -21.775 1.00 11.89 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.112 -1.488  -21.741 1.00 13.38 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.772 -1.998  -20.645 1.00 12.95 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.069 0.698   -20.997 1.00 13.62 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.234 1.637   -20.798 1.00 16.93 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.810 2.986   -20.202 1.00 20.17 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.974 3.865   -19.803 1.00 24.66 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.484 5.035   -19.028 1.00 30.65 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.376 -1.552  -22.820 1.00 12.83 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.031 -2.208  -22.832 1.00 12.66 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.038 -1.252  -22.183 1.00 14.36 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.909 -0.112  -22.685 1.00 17.54 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.669 -2.582  -24.271 1.00 13.24 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.426 -3.832  -24.737 1.00 13.84 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.626 -3.912  -26.236 1.00 18.09 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.793 -5.110  -24.170 1.00 12.58 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.397 -1.686  -21.112 1.00 16.67 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.517 -0.828  -20.262 1.00 19.27 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.137 -0.778  -20.867 1.00 21.35 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.651 -1.767  -21.376 1.00 21.41 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.192 -1.439  -18.911 1.00 21.60 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.594 -2.056  -18.006 1.00 21.31 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.442 0.366   -20.739 1.00 26.48 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.114 0.522   -21.292 1.00 32.39 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.139 -0.400  -20.563 1.00 32.07 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.330 -0.650  -19.368 1.00 33.97 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.810 2.020   -21.089 1.00 31.90 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.732 2.474   -19.989 1.00 31.76 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.949 1.580   -20.081 1.00 28.06 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.174 -0.879  -21.354 1.00 38.88 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.898 -1.562  -21.006 1.00 40.73 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.046 -0.672  -20.098 1.00 47.17 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.200 -1.200  -19.360 1.00 51.52 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.155 -1.836  -22.320 1.00 39.05 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.630 -3.364  -23.027 1.00 26.04 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.259 -3.148  -23.295 1.00 19.36 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.454 -4.052  -24.065 1.00 34.12 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.224 -3.563  -25.368 1.00 38.92 ? 201 EDO B O2  1 
HETATM 1571 N N1  . WGM C 3 .   ? -42.926 -13.831 -39.296 0.54 21.43 ? 202 WGM B N1  1 
HETATM 1572 C C4  . WGM C 3 .   ? -41.404 -14.348 -42.628 0.54 25.79 ? 202 WGM B C4  1 
HETATM 1573 C C5  . WGM C 3 .   ? -40.709 -13.166 -43.289 0.54 26.66 ? 202 WGM B C5  1 
HETATM 1574 C C6  . WGM C 3 .   ? -42.558 -14.503 -40.412 0.54 22.88 ? 202 WGM B C6  1 
HETATM 1575 C C7  . WGM C 3 .   ? -43.464 -14.528 -38.281 0.54 20.77 ? 202 WGM B C7  1 
HETATM 1576 C C8  . WGM C 3 .   ? -43.738 -15.868 -38.342 0.54 19.96 ? 202 WGM B C8  1 
HETATM 1577 C C10 . WGM C 3 .   ? -42.758 -15.890 -40.505 0.54 22.10 ? 202 WGM B C10 1 
HETATM 1578 N N   . WGM C 3 .   ? -42.010 -13.771 -41.423 0.54 22.89 ? 202 WGM B N   1 
HETATM 1579 C C   . WGM C 3 .   ? -40.916 -10.631 -43.022 0.54 24.91 ? 202 WGM B C   1 
HETATM 1580 O O   . WGM C 3 .   ? -39.387 -13.072 -42.779 0.54 29.77 ? 202 WGM B O   1 
HETATM 1581 C C1  . WGM C 3 .   ? -41.625 -11.986 -42.900 0.54 24.49 ? 202 WGM B C1  1 
HETATM 1582 C C2  . WGM C 3 .   ? -42.887 -12.015 -43.770 0.54 22.02 ? 202 WGM B C2  1 
HETATM 1583 C C3  . WGM C 3 .   ? -41.986 -12.309 -41.431 0.54 23.69 ? 202 WGM B C3  1 
HETATM 1584 C C9  . WGM C 3 .   ? -43.357 -16.563 -39.467 0.54 19.83 ? 202 WGM B C9  1 
HETATM 1585 F F   . WGM C 3 .   ? -42.417 -16.566 -41.619 0.54 26.74 ? 202 WGM B F   1 
HETATM 1586 C C1  . EDO D 2 .   ? -50.496 -17.007 -33.253 1.00 36.31 ? 203 EDO B C1  1 
HETATM 1587 O O1  . EDO D 2 .   ? -49.176 -16.483 -33.159 1.00 28.61 ? 203 EDO B O1  1 
HETATM 1588 C C2  . EDO D 2 .   ? -51.128 -17.199 -31.943 1.00 35.22 ? 203 EDO B C2  1 
HETATM 1589 O O2  . EDO D 2 .   ? -51.135 -16.006 -31.208 1.00 44.68 ? 203 EDO B O2  1 
HETATM 1590 S S   . SO4 E 4 .   ? -40.445 -24.595 -26.361 1.00 36.96 ? 204 SO4 B S   1 
HETATM 1591 O O1  . SO4 E 4 .   ? -39.724 -23.627 -27.131 1.00 24.36 ? 204 SO4 B O1  1 
HETATM 1592 O O2  . SO4 E 4 .   ? -41.357 -25.311 -27.203 1.00 43.84 ? 204 SO4 B O2  1 
HETATM 1593 O O3  . SO4 E 4 .   ? -39.482 -25.515 -25.800 1.00 42.12 ? 204 SO4 B O3  1 
HETATM 1594 O O4  . SO4 E 4 .   ? -41.176 -23.947 -25.286 1.00 40.08 ? 204 SO4 B O4  1 
HETATM 1595 O O   . HOH F 5 .   ? -38.630 -15.324 -11.600 1.00 32.65 ? 301 HOH B O   1 
HETATM 1596 O O   . HOH F 5 .   ? -26.877 -28.452 -27.905 1.00 20.70 ? 302 HOH B O   1 
HETATM 1597 O O   . HOH F 5 .   ? -38.381 0.547   -11.890 1.00 32.20 ? 303 HOH B O   1 
HETATM 1598 O O   . HOH F 5 .   ? -45.612 3.696   -34.198 1.00 18.18 ? 304 HOH B O   1 
HETATM 1599 O O   . HOH F 5 .   ? -47.088 -16.859 -31.881 1.00 21.02 ? 305 HOH B O   1 
HETATM 1600 O O   . HOH F 5 .   ? -22.691 -1.832  -9.762  1.00 25.82 ? 306 HOH B O   1 
HETATM 1601 O O   . HOH F 5 .   ? -40.090 -1.138  -9.812  1.00 26.13 ? 307 HOH B O   1 
HETATM 1602 O O   . HOH F 5 .   ? -18.660 -21.931 -35.866 1.00 16.12 ? 308 HOH B O   1 
HETATM 1603 O O   . HOH F 5 .   ? -13.419 -23.540 -31.660 1.00 14.99 ? 309 HOH B O   1 
HETATM 1604 O O   . HOH F 5 .   ? -38.020 2.768   -22.774 1.00 18.62 ? 310 HOH B O   1 
HETATM 1605 O O   . HOH F 5 .   ? -29.426 -12.356 -37.776 1.00 21.19 ? 311 HOH B O   1 
HETATM 1606 O O   . HOH F 5 .   ? -15.604 -5.432  -13.638 1.00 27.95 ? 312 HOH B O   1 
HETATM 1607 O O   . HOH F 5 .   ? -32.923 1.117   -33.536 1.00 19.67 ? 313 HOH B O   1 
HETATM 1608 O O   . HOH F 5 .   ? -42.231 -11.416 -38.604 1.00 23.22 ? 314 HOH B O   1 
HETATM 1609 O O   . HOH F 5 .   ? -45.030 7.504   -24.605 1.00 39.66 ? 315 HOH B O   1 
HETATM 1610 O O   . HOH F 5 .   ? -35.893 -22.455 -19.632 1.00 23.64 ? 316 HOH B O   1 
HETATM 1611 O O   . HOH F 5 .   ? -11.156 -21.148 -25.248 1.00 31.42 ? 317 HOH B O   1 
HETATM 1612 O O   . HOH F 5 .   ? -26.184 3.448   -35.257 1.00 29.38 ? 318 HOH B O   1 
HETATM 1613 O O   . HOH F 5 .   ? -12.704 -21.362 -18.681 1.00 27.68 ? 319 HOH B O   1 
HETATM 1614 O O   . HOH F 5 .   ? -47.162 1.304   -25.701 1.00 32.02 ? 320 HOH B O   1 
HETATM 1615 O O   . HOH F 5 .   ? -45.502 0.081   -11.809 1.00 18.57 ? 321 HOH B O   1 
HETATM 1616 O O   . HOH F 5 .   ? -24.503 -31.063 -22.010 1.00 30.71 ? 322 HOH B O   1 
HETATM 1617 O O   . HOH F 5 .   ? -30.826 -6.679  -11.367 1.00 14.15 ? 323 HOH B O   1 
HETATM 1618 O O   . HOH F 5 .   ? -36.824 -16.289 -39.444 1.00 24.20 ? 324 HOH B O   1 
HETATM 1619 O O   . HOH F 5 .   ? -36.726 -25.923 -23.762 1.00 32.64 ? 325 HOH B O   1 
HETATM 1620 O O   . HOH F 5 .   ? -19.475 -29.762 -15.570 1.00 27.57 ? 326 HOH B O   1 
HETATM 1621 O O   . HOH F 5 .   ? -35.713 -19.188 -30.553 1.00 28.74 ? 327 HOH B O   1 
HETATM 1622 O O   . HOH F 5 .   ? -49.693 -1.688  -19.435 1.00 24.09 ? 328 HOH B O   1 
HETATM 1623 O O   . HOH F 5 .   ? -36.577 -23.079 -30.828 1.00 34.49 ? 329 HOH B O   1 
HETATM 1624 O O   . HOH F 5 .   ? -25.919 -22.631 -35.904 1.00 26.21 ? 330 HOH B O   1 
HETATM 1625 O O   . HOH F 5 .   ? -8.987  -13.532 -25.213 1.00 30.43 ? 331 HOH B O   1 
HETATM 1626 O O   . HOH F 5 .   ? -17.596 -21.344 -12.435 1.00 17.40 ? 332 HOH B O   1 
HETATM 1627 O O   . HOH F 5 .   ? -30.821 -20.338 -21.404 1.00 11.79 ? 333 HOH B O   1 
HETATM 1628 O O   . HOH F 5 .   ? -37.300 -25.609 -11.506 1.00 36.69 ? 334 HOH B O   1 
HETATM 1629 O O   . HOH F 5 .   ? -45.121 -12.281 -26.605 1.00 28.67 ? 335 HOH B O   1 
HETATM 1630 O O   . HOH F 5 .   ? -38.774 -2.496  -21.369 1.00 13.93 ? 336 HOH B O   1 
HETATM 1631 O O   . HOH F 5 .   ? -16.169 -19.651 -15.667 1.00 23.85 ? 337 HOH B O   1 
HETATM 1632 O O   . HOH F 5 .   ? -37.040 0.852   -15.578 1.00 14.90 ? 338 HOH B O   1 
HETATM 1633 O O   . HOH F 5 .   ? -42.942 -15.373 -10.109 1.00 21.98 ? 339 HOH B O   1 
HETATM 1634 O O   . HOH F 5 .   ? -40.632 -14.421 -8.382  1.00 27.43 ? 340 HOH B O   1 
HETATM 1635 O O   . HOH F 5 .   ? -16.745 -5.637  -9.258  1.00 28.98 ? 341 HOH B O   1 
HETATM 1636 O O   . HOH F 5 .   ? -32.868 -18.242 -37.307 1.00 31.15 ? 342 HOH B O   1 
HETATM 1637 O O   . HOH F 5 .   ? -23.291 4.369   -24.707 1.00 24.74 ? 343 HOH B O   1 
HETATM 1638 O O   . HOH F 5 .   ? -18.481 -4.634  -24.707 1.00 16.25 ? 344 HOH B O   1 
HETATM 1639 O O   . HOH F 5 .   ? -38.536 -7.620  -10.790 1.00 15.20 ? 345 HOH B O   1 
HETATM 1640 O O   . HOH F 5 .   ? -17.562 -27.626 -19.667 1.00 17.79 ? 346 HOH B O   1 
HETATM 1641 O O   . HOH F 5 .   ? -26.534 -25.748 -16.411 1.00 16.57 ? 347 HOH B O   1 
HETATM 1642 O O   . HOH F 5 .   ? -19.372 -4.316  -22.065 1.00 14.41 ? 348 HOH B O   1 
HETATM 1643 O O   . HOH F 5 .   ? -37.975 -14.408 -21.423 1.00 31.25 ? 349 HOH B O   1 
HETATM 1644 O O   . HOH F 5 .   ? -34.064 -21.974 -31.461 1.00 18.37 ? 350 HOH B O   1 
HETATM 1645 O O   . HOH F 5 .   ? -28.408 -21.652 -8.975  1.00 16.96 ? 351 HOH B O   1 
HETATM 1646 O O   . HOH F 5 .   ? -17.839 -19.854 -37.568 1.00 24.02 ? 352 HOH B O   1 
HETATM 1647 O O   . HOH F 5 .   ? -40.915 -9.291  -36.730 1.00 27.13 ? 353 HOH B O   1 
HETATM 1648 O O   . HOH F 5 .   ? -25.828 -14.241 -3.048  1.00 27.18 ? 354 HOH B O   1 
HETATM 1649 O O   . HOH F 5 .   ? -30.198 -23.894 -34.116 1.00 21.90 ? 355 HOH B O   1 
HETATM 1650 O O   . HOH F 5 .   ? -26.573 2.012   -11.054 1.00 22.45 ? 356 HOH B O   1 
HETATM 1651 O O   . HOH F 5 .   ? -30.724 1.121   -17.146 1.00 20.98 ? 357 HOH B O   1 
HETATM 1652 O O   . HOH F 5 .   ? -40.251 -14.352 -31.478 1.00 13.42 ? 358 HOH B O   1 
HETATM 1653 O O   . HOH F 5 .   ? -13.383 -20.956 -35.195 1.00 28.58 ? 359 HOH B O   1 
HETATM 1654 O O   . HOH F 5 .   ? -42.528 -5.769  -12.243 1.00 19.13 ? 360 HOH B O   1 
HETATM 1655 O O   . HOH F 5 .   ? -27.198 -20.343 -7.048  1.00 16.18 ? 361 HOH B O   1 
HETATM 1656 O O   . HOH F 5 .   ? -10.334 -23.573 -21.857 1.00 28.49 ? 362 HOH B O   1 
HETATM 1657 O O   . HOH F 5 .   ? -38.420 3.783   -42.294 1.00 25.43 ? 363 HOH B O   1 
HETATM 1658 O O   . HOH F 5 .   ? -19.179 -29.186 -23.534 1.00 22.84 ? 364 HOH B O   1 
HETATM 1659 O O   . HOH F 5 .   ? -41.729 1.463   -22.581 1.00 31.63 ? 365 HOH B O   1 
HETATM 1660 O O   . HOH F 5 .   ? -35.540 -17.036 -8.279  1.00 34.60 ? 366 HOH B O   1 
HETATM 1661 O O   . HOH F 5 .   ? -19.770 1.831   -30.509 1.00 30.86 ? 367 HOH B O   1 
HETATM 1662 O O   . HOH F 5 .   ? -45.703 -14.722 -27.631 1.00 33.52 ? 368 HOH B O   1 
HETATM 1663 O O   . HOH F 5 .   ? -9.460  -18.446 -30.447 1.00 44.90 ? 369 HOH B O   1 
HETATM 1664 O O   . HOH F 5 .   ? -43.819 -0.591  -24.367 1.00 27.75 ? 370 HOH B O   1 
HETATM 1665 O O   . HOH F 5 .   ? -36.254 -1.791  -33.893 1.00 17.07 ? 371 HOH B O   1 
HETATM 1666 O O   . HOH F 5 .   ? -26.784 -17.733 -7.780  1.00 15.49 ? 372 HOH B O   1 
HETATM 1667 O O   . HOH F 5 .   ? -42.240 -3.892  -39.535 1.00 20.49 ? 373 HOH B O   1 
HETATM 1668 O O   . HOH F 5 .   ? -36.498 -0.972  -22.140 1.00 12.86 ? 374 HOH B O   1 
HETATM 1669 O O   . HOH F 5 .   ? -23.872 1.210   -10.755 1.00 31.18 ? 375 HOH B O   1 
HETATM 1670 O O   . HOH F 5 .   ? -32.268 -4.969  -12.986 1.00 12.69 ? 376 HOH B O   1 
HETATM 1671 O O   . HOH F 5 .   ? -18.005 -4.383  -5.824  1.00 40.86 ? 377 HOH B O   1 
HETATM 1672 O O   . HOH F 5 .   ? -20.946 -16.425 -5.527  1.00 16.19 ? 378 HOH B O   1 
HETATM 1673 O O   . HOH F 5 .   ? -9.376  -20.810 -28.936 1.00 32.50 ? 379 HOH B O   1 
HETATM 1674 O O   . HOH F 5 .   ? -23.283 2.352   -23.054 1.00 25.92 ? 380 HOH B O   1 
HETATM 1675 O O   . HOH F 5 .   ? -33.915 -21.786 -36.679 1.00 34.96 ? 381 HOH B O   1 
HETATM 1676 O O   . HOH F 5 .   ? -35.867 -3.784  -10.059 1.00 40.65 ? 382 HOH B O   1 
HETATM 1677 O O   . HOH F 5 .   ? -35.486 -4.596  -42.192 1.00 22.37 ? 383 HOH B O   1 
HETATM 1678 O O   . HOH F 5 .   ? -33.462 -1.790  -38.422 1.00 24.50 ? 384 HOH B O   1 
HETATM 1679 O O   . HOH F 5 .   ? -14.969 -19.738 -37.610 1.00 22.61 ? 385 HOH B O   1 
HETATM 1680 O O   . HOH F 5 .   ? -45.664 -19.643 -31.720 1.00 23.40 ? 386 HOH B O   1 
HETATM 1681 O O   . HOH F 5 .   ? -12.576 -18.502 -34.745 1.00 35.76 ? 387 HOH B O   1 
HETATM 1682 O O   . HOH F 5 .   ? -45.885 -4.287  -33.965 1.00 19.39 ? 388 HOH B O   1 
HETATM 1683 O O   . HOH F 5 .   ? -24.088 -12.370 -6.536  1.00 17.03 ? 389 HOH B O   1 
HETATM 1684 O O   . HOH F 5 .   ? -25.300 -10.458 -23.605 1.00 12.79 ? 390 HOH B O   1 
HETATM 1685 O O   . HOH F 5 .   ? -21.150 -5.854  -2.122  1.00 40.19 ? 391 HOH B O   1 
HETATM 1686 O O   . HOH F 5 .   ? -23.768 -21.071 -38.862 1.00 21.97 ? 392 HOH B O   1 
HETATM 1687 O O   . HOH F 5 .   ? -16.064 -12.037 -5.537  1.00 43.01 ? 393 HOH B O   1 
HETATM 1688 O O   . HOH F 5 .   ? -41.484 -8.505  -13.294 1.00 18.78 ? 394 HOH B O   1 
HETATM 1689 O O   . HOH F 5 .   ? -44.973 -7.770  -39.087 1.00 16.28 ? 395 HOH B O   1 
HETATM 1690 O O   . HOH F 5 .   ? -33.318 -14.884 -7.032  1.00 20.00 ? 396 HOH B O   1 
HETATM 1691 O O   . HOH F 5 .   ? -31.430 3.407   -26.874 1.00 22.75 ? 397 HOH B O   1 
HETATM 1692 O O   . HOH F 5 .   ? -24.881 -15.018 -6.871  1.00 15.48 ? 398 HOH B O   1 
HETATM 1693 O O   . HOH F 5 .   ? -28.769 7.869   -30.131 1.00 29.11 ? 399 HOH B O   1 
HETATM 1694 O O   . HOH F 5 .   ? -25.724 -26.989 -23.890 1.00 16.76 ? 400 HOH B O   1 
HETATM 1695 O O   . HOH F 5 .   ? -39.829 6.287   -26.397 1.00 42.95 ? 401 HOH B O   1 
HETATM 1696 O O   . HOH F 5 .   ? -24.995 -11.079 -4.156  1.00 23.36 ? 402 HOH B O   1 
HETATM 1697 O O   . HOH F 5 .   ? -9.361  -15.913 -26.543 1.00 25.99 ? 403 HOH B O   1 
HETATM 1698 O O   . HOH F 5 .   ? -41.290 5.343   -28.448 1.00 26.05 ? 404 HOH B O   1 
HETATM 1699 O O   . HOH F 5 .   ? -18.072 -16.045 -6.151  1.00 21.68 ? 405 HOH B O   1 
HETATM 1700 O O   . HOH F 5 .   ? -36.359 -0.255  -42.023 1.00 34.84 ? 406 HOH B O   1 
HETATM 1701 O O   . HOH F 5 .   ? -18.321 -17.312 -36.452 1.00 24.71 ? 407 HOH B O   1 
HETATM 1702 O O   . HOH F 5 .   ? -14.324 -16.445 -32.974 1.00 25.38 ? 408 HOH B O   1 
HETATM 1703 O O   . HOH F 5 .   ? -40.335 -7.457  -34.618 1.00 21.46 ? 409 HOH B O   1 
HETATM 1704 O O   . HOH F 5 .   ? -34.669 -8.915  -6.063  1.00 39.32 ? 410 HOH B O   1 
HETATM 1705 O O   . HOH F 5 .   ? -31.002 4.015   -24.333 1.00 23.38 ? 411 HOH B O   1 
HETATM 1706 O O   . HOH F 5 .   ? -13.222 -6.266  -29.198 1.00 28.09 ? 412 HOH B O   1 
HETATM 1707 O O   . HOH F 5 .   ? -39.934 -11.831 -22.738 1.00 31.26 ? 413 HOH B O   1 
HETATM 1708 O O   . HOH F 5 .   ? -17.864 -11.099 -35.617 1.00 25.18 ? 414 HOH B O   1 
HETATM 1709 O O   . HOH F 5 .   ? -41.055 -5.894  -38.060 1.00 27.47 ? 415 HOH B O   1 
HETATM 1710 O O   . HOH F 5 .   ? -16.103 -14.735 -8.631  1.00 28.75 ? 416 HOH B O   1 
HETATM 1711 O O   . HOH F 5 .   ? -34.298 -7.191  -8.005  1.00 27.45 ? 417 HOH B O   1 
HETATM 1712 O O   . HOH F 5 .   ? -42.384 -5.029  -43.764 1.00 21.67 ? 418 HOH B O   1 
HETATM 1713 O O   . HOH F 5 .   ? -43.267 3.763   -18.821 1.00 21.22 ? 419 HOH B O   1 
HETATM 1714 O O   . HOH F 5 .   ? -40.794 6.412   -33.136 1.00 30.13 ? 420 HOH B O   1 
HETATM 1715 O O   . HOH F 5 .   ? -25.070 7.087   -28.983 1.00 27.69 ? 421 HOH B O   1 
HETATM 1716 O O   . HOH F 5 .   ? -24.267 -4.307  -36.966 1.00 34.31 ? 422 HOH B O   1 
HETATM 1717 O O   . HOH F 5 .   ? -27.767 -27.796 -25.642 1.00 32.83 ? 423 HOH B O   1 
HETATM 1718 O O   . HOH F 5 .   ? -41.094 -8.807  -19.416 1.00 14.95 ? 424 HOH B O   1 
HETATM 1719 O O   . HOH F 5 .   ? -52.535 -14.179 -29.107 1.00 43.77 ? 425 HOH B O   1 
HETATM 1720 O O   . HOH F 5 .   ? -19.991 2.341   -24.009 1.00 35.76 ? 426 HOH B O   1 
HETATM 1721 O O   . HOH F 5 .   ? -16.111 -7.478  -11.382 1.00 26.03 ? 427 HOH B O   1 
HETATM 1722 O O   . HOH F 5 .   ? -43.766 -8.925  -36.554 1.00 35.53 ? 428 HOH B O   1 
HETATM 1723 O O   . HOH F 5 .   ? -32.703 -23.591 -33.435 1.00 31.82 ? 429 HOH B O   1 
HETATM 1724 O O   . HOH F 5 .   ? -47.711 0.000   -32.925 0.50 21.82 ? 430 HOH B O   1 
HETATM 1725 O O   . HOH F 5 .   ? -36.659 -6.563  -8.989  1.00 26.78 ? 431 HOH B O   1 
HETATM 1726 O O   . HOH F 5 .   ? -8.484  -23.054 -30.368 1.00 26.39 ? 432 HOH B O   1 
HETATM 1727 O O   . HOH F 5 .   ? -21.695 6.942   -32.305 1.00 30.23 ? 433 HOH B O   1 
HETATM 1728 O O   . HOH F 5 .   ? -26.262 -28.243 -21.420 1.00 35.37 ? 434 HOH B O   1 
HETATM 1729 O O   . HOH F 5 .   ? -40.194 5.092   -22.127 1.00 30.14 ? 435 HOH B O   1 
HETATM 1730 O O   . HOH F 5 .   ? -30.704 -17.381 -42.823 1.00 33.10 ? 436 HOH B O   1 
HETATM 1731 O O   . HOH F 5 .   ? -38.847 -16.438 -40.896 1.00 33.57 ? 437 HOH B O   1 
HETATM 1732 O O   . HOH F 5 .   ? -22.857 3.410   -20.629 1.00 34.18 ? 438 HOH B O   1 
HETATM 1733 O O   . HOH F 5 .   ? -36.593 2.197   -43.238 1.00 36.68 ? 439 HOH B O   1 
HETATM 1734 O O   . HOH F 5 .   ? -15.919 -22.288 -14.553 1.00 27.58 ? 440 HOH B O   1 
HETATM 1735 O O   . HOH F 5 .   ? -28.337 -27.736 -16.901 1.00 21.58 ? 441 HOH B O   1 
HETATM 1736 O O   . HOH F 5 .   ? -26.350 -31.138 -24.054 1.00 25.42 ? 442 HOH B O   1 
HETATM 1737 O O   . HOH F 5 .   ? -16.103 -26.936 -17.216 1.00 35.20 ? 443 HOH B O   1 
HETATM 1738 O O   . HOH F 5 .   ? -42.254 -12.965 -22.479 1.00 29.27 ? 444 HOH B O   1 
# 
