data_7HMY
# 
_entry.id   7HMY 
# 
_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   7HMY         pdb_00007hmy 10.2210/pdb7hmy/pdb 
WWPDB D_1001407676 ?            ?                   
# 
_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                        7HMY 
_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 
;(2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid
;
242.270   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 
;(2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid
;
ZTQ 
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 
ZTQ non-polymer         . 
;(2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid
;
?                 'C15 H14 O3'     242.270 
# 
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        ZTQ 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   ZTQ 
_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 ZTQ 1   202 301 ZTQ 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 12  HOH HOH B . 
F 5 HOH 3   303 281 HOH HOH B . 
F 5 HOH 4   304 11  HOH HOH B . 
F 5 HOH 5   305 26  HOH HOH B . 
F 5 HOH 6   306 2   HOH HOH B . 
F 5 HOH 7   307 99  HOH HOH B . 
F 5 HOH 8   308 21  HOH HOH B . 
F 5 HOH 9   309 33  HOH HOH B . 
F 5 HOH 10  310 51  HOH HOH B . 
F 5 HOH 11  311 63  HOH HOH B . 
F 5 HOH 12  312 27  HOH HOH B . 
F 5 HOH 13  313 1   HOH HOH B . 
F 5 HOH 14  314 40  HOH HOH B . 
F 5 HOH 15  315 16  HOH HOH B . 
F 5 HOH 16  316 34  HOH HOH B . 
F 5 HOH 17  317 25  HOH HOH B . 
F 5 HOH 18  318 102 HOH HOH B . 
F 5 HOH 19  319 129 HOH HOH B . 
F 5 HOH 20  320 10  HOH HOH B . 
F 5 HOH 21  321 3   HOH HOH B . 
F 5 HOH 22  322 5   HOH HOH B . 
F 5 HOH 23  323 95  HOH HOH B . 
F 5 HOH 24  324 90  HOH HOH B . 
F 5 HOH 25  325 16  HOH HOH B . 
F 5 HOH 26  326 70  HOH HOH B . 
F 5 HOH 27  327 100 HOH HOH B . 
F 5 HOH 28  328 11  HOH HOH B . 
F 5 HOH 29  329 80  HOH HOH B . 
F 5 HOH 30  330 27  HOH HOH B . 
F 5 HOH 31  331 9   HOH HOH B . 
F 5 HOH 32  332 72  HOH HOH B . 
F 5 HOH 33  333 18  HOH HOH B . 
F 5 HOH 34  334 36  HOH HOH B . 
F 5 HOH 35  335 68  HOH HOH B . 
F 5 HOH 36  336 39  HOH HOH B . 
F 5 HOH 37  337 86  HOH HOH B . 
F 5 HOH 38  338 7   HOH HOH B . 
F 5 HOH 39  339 22  HOH HOH B . 
F 5 HOH 40  340 2   HOH HOH B . 
F 5 HOH 41  341 20  HOH HOH B . 
F 5 HOH 42  342 1   HOH HOH B . 
F 5 HOH 43  343 184 HOH HOH B . 
F 5 HOH 44  344 26  HOH HOH B . 
F 5 HOH 45  345 137 HOH HOH B . 
F 5 HOH 46  346 157 HOH HOH B . 
F 5 HOH 47  347 126 HOH HOH B . 
F 5 HOH 48  348 214 HOH HOH B . 
F 5 HOH 49  349 55  HOH HOH B . 
F 5 HOH 50  350 30  HOH HOH B . 
F 5 HOH 51  351 267 HOH HOH B . 
F 5 HOH 52  352 81  HOH HOH B . 
F 5 HOH 53  353 31  HOH HOH B . 
F 5 HOH 54  354 50  HOH HOH B . 
F 5 HOH 55  355 4   HOH HOH B . 
F 5 HOH 56  356 17  HOH HOH B . 
F 5 HOH 57  357 29  HOH HOH B . 
F 5 HOH 58  358 58  HOH HOH B . 
F 5 HOH 59  359 10  HOH HOH B . 
F 5 HOH 60  360 3   HOH HOH B . 
F 5 HOH 61  361 62  HOH HOH B . 
F 5 HOH 62  362 15  HOH HOH B . 
F 5 HOH 63  363 6   HOH HOH B . 
F 5 HOH 64  364 66  HOH HOH B . 
F 5 HOH 65  365 28  HOH HOH B . 
F 5 HOH 66  366 89  HOH HOH B . 
F 5 HOH 67  367 32  HOH HOH B . 
F 5 HOH 68  368 172 HOH HOH B . 
F 5 HOH 69  369 19  HOH HOH B . 
F 5 HOH 70  370 4   HOH HOH B . 
F 5 HOH 71  371 47  HOH HOH B . 
F 5 HOH 72  372 33  HOH HOH B . 
F 5 HOH 73  373 304 HOH HOH B . 
F 5 HOH 74  374 61  HOH HOH B . 
F 5 HOH 75  375 59  HOH HOH B . 
F 5 HOH 76  376 71  HOH HOH B . 
F 5 HOH 77  377 211 HOH HOH B . 
F 5 HOH 78  378 8   HOH HOH B . 
F 5 HOH 79  379 48  HOH HOH B . 
F 5 HOH 80  380 116 HOH HOH B . 
F 5 HOH 81  381 25  HOH HOH B . 
F 5 HOH 82  382 60  HOH HOH B . 
F 5 HOH 83  383 76  HOH HOH B . 
F 5 HOH 84  384 85  HOH HOH B . 
F 5 HOH 85  385 264 HOH HOH B . 
F 5 HOH 86  386 73  HOH HOH B . 
F 5 HOH 87  387 93  HOH HOH B . 
F 5 HOH 88  388 43  HOH HOH B . 
F 5 HOH 89  389 46  HOH HOH B . 
F 5 HOH 90  390 57  HOH HOH B . 
F 5 HOH 91  391 303 HOH HOH B . 
F 5 HOH 92  392 32  HOH HOH B . 
F 5 HOH 93  393 45  HOH HOH B . 
F 5 HOH 94  394 24  HOH HOH B . 
F 5 HOH 95  395 154 HOH HOH B . 
F 5 HOH 96  396 97  HOH HOH B . 
F 5 HOH 97  397 14  HOH HOH B . 
F 5 HOH 98  398 23  HOH HOH B . 
F 5 HOH 99  399 64  HOH HOH B . 
F 5 HOH 100 400 12  HOH HOH B . 
F 5 HOH 101 401 41  HOH HOH B . 
F 5 HOH 102 402 49  HOH HOH B . 
F 5 HOH 103 403 156 HOH HOH B . 
F 5 HOH 104 404 56  HOH HOH B . 
F 5 HOH 105 405 7   HOH HOH B . 
F 5 HOH 106 406 125 HOH HOH B . 
F 5 HOH 107 407 20  HOH HOH B . 
F 5 HOH 108 408 13  HOH HOH B . 
F 5 HOH 109 409 54  HOH HOH B . 
F 5 HOH 110 410 8   HOH HOH B . 
F 5 HOH 111 411 140 HOH HOH B . 
F 5 HOH 112 412 103 HOH HOH B . 
F 5 HOH 113 413 42  HOH HOH B . 
F 5 HOH 114 414 38  HOH HOH B . 
F 5 HOH 115 415 18  HOH HOH B . 
F 5 HOH 116 416 120 HOH HOH B . 
F 5 HOH 117 417 15  HOH HOH B . 
F 5 HOH 118 418 197 HOH HOH B . 
F 5 HOH 119 419 257 HOH HOH B . 
F 5 HOH 120 420 44  HOH HOH B . 
F 5 HOH 121 421 69  HOH HOH B . 
F 5 HOH 122 422 22  HOH HOH B . 
F 5 HOH 123 423 53  HOH HOH B . 
F 5 HOH 124 424 5   HOH HOH B . 
F 5 HOH 125 425 19  HOH HOH B . 
F 5 HOH 126 426 263 HOH HOH B . 
F 5 HOH 127 427 112 HOH HOH B . 
F 5 HOH 128 428 30  HOH HOH B . 
F 5 HOH 129 429 115 HOH HOH B . 
F 5 HOH 130 430 266 HOH HOH B . 
F 5 HOH 131 431 114 HOH HOH B . 
F 5 HOH 132 432 133 HOH HOH B . 
F 5 HOH 133 433 23  HOH HOH B . 
F 5 HOH 134 434 21  HOH HOH B . 
F 5 HOH 135 435 98  HOH HOH B . 
F 5 HOH 136 436 13  HOH HOH B . 
F 5 HOH 137 437 166 HOH HOH B . 
F 5 HOH 138 438 104 HOH HOH B . 
F 5 HOH 139 439 127 HOH HOH B . 
F 5 HOH 140 440 205 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           7HMY 
_cell.length_a           95.450 
_cell.length_b           95.450 
_cell.length_c           45.846 
_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                         7HMY 
_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          7HMY 
_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   2024-05-24 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92124 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92124 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HMY 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.490 
_reflns.d_resolution_high            1.150 
_reflns.number_obs                   56879 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         77.700 
_reflns.pdbx_Rmerge_I_obs            0.042 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        29.900 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              10.400 
_reflns.pdbx_Rrim_I_all              0.044 
_reflns.pdbx_Rpim_I_all              0.012 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     590123 
_reflns.pdbx_scaling_rejects         0 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.150 1.170  ? 475  419 ? 0.382 ? ? ? 1.100  ? 1.300  ? ? ? ? ? ? 11.700 0.539 0.380 0.592 
1 2 6.300 67.490 ? 6167 488 ? 0.043 ? ? ? 12.600 ? 80.100 ? ? ? ? ? ? 99.900 0.045 0.013 0.996 
# 
_refine.entry_id                                 7HMY 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.1500 
_refine.ls_d_res_low                             67.4900 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    77.6800 
_refine.ls_number_reflns_obs                     54149 
_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                          0.1736 
_refine.ls_R_factor_R_work                       0.1729 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1877 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2730 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               15.0190 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.2200 
_refine.aniso_B[2][2]                            0.2200 
_refine.aniso_B[3][3]                            -0.4500 
_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               0.9700 
_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                       0.0460 
_refine.pdbx_overall_ESU_R_Free                  0.0460 
_refine.overall_SU_ML                            0.0280 
_refine.overall_SU_B                             0.6270 
_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                                70.320 
_refine.B_iso_min                                7.750 
_refine.pdbx_overall_phase_error                 ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_R_free_error_details         ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.1500 
_refine_hist.d_res_low                        67.4900 
_refine_hist.pdbx_number_atoms_ligand         31 
_refine_hist.number_atoms_solvent             144 
_refine_hist.number_atoms_total               1668 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           32.02 
_refine_hist.pdbx_B_iso_mean_solvent          25.51 
_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       2119 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1675 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2621 1.901  1.640  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3862 1.433  1.578  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 247  7.251  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 110  28.746 21.455 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 297  11.624 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.242 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         231  0.089  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2340 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     522  0.003  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            1011 1.269  1.310  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         1005 1.219  1.294  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1183 1.981  1.955  ? ? 
# 
_refine_ls_shell.d_res_high                       1.1500 
_refine_ls_shell.d_res_low                        1.1800 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               14.6400 
_refine_ls_shell.number_reflns_R_work             747 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.2940 
_refine_ls_shell.R_factor_R_free                  0.2890 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             41 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                788 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMY 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z111782404' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMY 
_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              7HMY 
_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 7HMY MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMY HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMY HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMY HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMY HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMY HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMY HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMY 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 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -1.71 
# 
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                   7HMY 
_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            CD 
_pdbx_validate_rmsd_bond.auth_asym_id_1            B 
_pdbx_validate_rmsd_bond.auth_comp_id_1            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_1             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            OE1 
_pdbx_validate_rmsd_bond.auth_asym_id_2            B 
_pdbx_validate_rmsd_bond.auth_comp_id_2            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_2             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.178 
_pdbx_validate_rmsd_bond.bond_target_value         1.252 
_pdbx_validate_rmsd_bond.bond_deviation            -0.074 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.011 
_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                129.06 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            17.26 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 73.60   35.17 
2 1 ASP B 152 ? ? -101.59 50.27 
# 
_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     431 
_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 
ZTQ C4   C Y N 406 
ZTQ C5   C Y N 407 
ZTQ C6   C Y N 408 
ZTQ C7   C Y N 409 
ZTQ C8   C Y N 410 
ZTQ C10  C Y N 411 
ZTQ C13  C Y N 412 
ZTQ C15  C N N 413 
ZTQ C1   C N N 414 
ZTQ C2   C N S 415 
ZTQ O1   O N N 416 
ZTQ C3   C Y N 417 
ZTQ C9   C Y N 418 
ZTQ C11  C Y N 419 
ZTQ C12  C Y N 420 
ZTQ C14  C Y N 421 
ZTQ O2   O N N 422 
ZTQ O3   O N N 423 
ZTQ H1   H N N 424 
ZTQ H2   H N N 425 
ZTQ H3   H N N 426 
ZTQ H4   H N N 427 
ZTQ H5   H N N 428 
ZTQ H6   H N N 429 
ZTQ H7   H N N 430 
ZTQ H8   H N N 431 
ZTQ H9   H N N 432 
ZTQ H10  H N N 433 
ZTQ H11  H N N 434 
ZTQ H12  H N N 435 
ZTQ H13  H N N 436 
ZTQ H14  H N N 437 
# 
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 
ZTQ C12 C11  doub Y N 389 
ZTQ C12 C7   sing Y N 390 
ZTQ C11 C10  sing Y N 391 
ZTQ C14 C13  doub Y N 392 
ZTQ C14 C3   sing Y N 393 
ZTQ C13 C6   sing Y N 394 
ZTQ O1  C3   sing N N 395 
ZTQ O1  C2   sing N N 396 
ZTQ C3  C4   doub Y N 397 
ZTQ C6  C7   sing N N 398 
ZTQ C6  C5   doub Y N 399 
ZTQ C7  C8   doub Y N 400 
ZTQ C10 C9   doub Y N 401 
ZTQ C1  C2   sing N N 402 
ZTQ O2  C15  doub N N 403 
ZTQ C2  C15  sing N N 404 
ZTQ C4  C5   sing Y N 405 
ZTQ C15 O3   sing N N 406 
ZTQ C8  C9   sing Y N 407 
ZTQ C4  H1   sing N N 408 
ZTQ C5  H2   sing N N 409 
ZTQ C8  H3   sing N N 410 
ZTQ C10 H4   sing N N 411 
ZTQ C13 H5   sing N N 412 
ZTQ C1  H6   sing N N 413 
ZTQ C1  H7   sing N N 414 
ZTQ C1  H8   sing N N 415 
ZTQ C2  H9   sing N N 416 
ZTQ C9  H10  sing N N 417 
ZTQ C11 H11  sing N N 418 
ZTQ C12 H12  sing N N 419 
ZTQ C14 H13  sing N N 420 
ZTQ O3  H14  sing N N 421 
# 
_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                    7HMY 
_atom_sites.fract_transf_matrix[1][1]   0.010477 
_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]   0.010477 
_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]   0.021812 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . HIS A 1 2   ? -13.370 -12.553 -9.976  1.00 58.26 ?  8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.820 -13.317 -11.150 1.00 54.05 ?  8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.666 -12.534 -11.793 1.00 52.10 ?  8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.462 -11.346 -11.427 1.00 53.81 ?  8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.933 -13.622 -12.170 1.00 48.03 ?  8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.523 -12.409 -12.814 1.00 43.28 ?  8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.942 -11.803 -13.917 1.00 42.02 ?  8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.632 -11.690 -12.531 1.00 38.55 ?  8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.664 -10.756 -14.275 1.00 39.53 ?  8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.707 -10.657 -13.438 1.00 35.22 ?  8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.980 -13.159 -12.752 1.00 47.09 ?  9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.816  -12.592 -13.483 1.00 46.48 ?  9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.035 -12.705 -15.001 1.00 40.72 ?  9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.036  -12.920 -15.725 1.00 39.04 ?  9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.533  -13.260 -12.951 1.00 54.20 ?  9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.351  -13.034 -11.483 1.00 63.45 ?  9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -7.959  -11.807 -10.963 1.00 64.68 ?  9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.552  -13.845 -10.419 1.00 68.51 ?  9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.907  -11.881 -9.648  1.00 68.28 ?  9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.258  -13.124 -9.289  1.00 70.32 ?  9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.281 -12.500 -15.470 1.00 33.25 ?  10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.719 -12.697 -16.884 1.00 28.43 ?  10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.681 -11.364 -17.642 1.00 28.70 ?  10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.838 -11.372 -18.876 1.00 25.39 ?  10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.137 -13.310 -16.949 1.00 27.56 ?  10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.238 -14.692 -16.391 1.00 28.63 ?  10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.329 -15.697 -16.718 1.00 27.22 ?  10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.129 -15.260 -15.548 1.00 27.19 ?  10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.663 -16.814 -16.099 1.00 33.06 ?  10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.758 -16.571 -15.379 1.00 30.65 ?  10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.476 -10.249 -16.941 1.00 29.66 ?  11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.619 -8.878  -17.495 1.00 30.71 ?  11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.735 -8.675  -18.736 1.00 28.66 ?  11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.190 -7.976  -19.654 1.00 30.83 ?  11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.349 -7.808  -16.419 1.00 35.54 ?  11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.179 -7.977  -15.192 1.00 41.43 ?  11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.761 -8.752  -14.114 1.00 46.29 ?  11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.396 -7.487  -14.860 1.00 44.20 ?  11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.686 -8.726  -13.169 1.00 48.49 ?  11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.705 -7.960  -13.605 1.00 47.27 ?  11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.545  -9.294  -18.801 1.00 26.92 ?  12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.571  -9.119  -19.912 1.00 27.09 ?  12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.056  -9.762  -21.222 1.00 26.25 ?  12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.414  -9.546  -22.258 1.00 28.04 ?  12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.190  -9.637  -19.484 1.00 32.52 ?  12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.155  -11.089 -19.163 1.00 31.40 ?  12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.536  -12.016 -19.988 1.00 39.21 ?  12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.616  -11.781 -18.098 1.00 34.65 ?  12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.636  -13.217 -19.454 1.00 32.87 ?  12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.296  -13.105 -18.296 1.00 38.25 ?  12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.129 -10.563 -21.208 1.00 21.97 ?  13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.794 -11.118 -22.422 1.00 18.26 ?  13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.912 -10.191 -22.891 1.00 16.51 ?  13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.714 -10.628 -23.709 1.00 16.11 ?  13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.338 -12.506 -22.146 1.00 18.11 ?  13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.257 -13.474 -21.762 1.00 18.94 ?  13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.234  -13.805 -22.632 1.00 20.20 ?  13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.094 -14.189 -20.642 1.00 20.48 ?  13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.439  -14.665 -22.025 1.00 20.25 ?  13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.937  -14.926 -20.820 1.00 22.07 ?  13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.950 -8.963  -22.402 1.00 17.18 ?  14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -13.007 -7.992  -22.766 1.00 19.38 ?  14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.095 -7.850  -24.279 1.00 19.43 ?  14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.054 -7.668  -24.985 1.00 21.62 ?  14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.715 -6.626  -22.140 1.00 23.01 ?  14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.773 -5.559  -22.408 1.00 28.60 ?  14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.274 -5.780  -21.396 1.00 40.49 ?  14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.726 -5.106  -19.834 1.00 32.04 ?  14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.309 -7.847  -24.805 1.00 17.12 ?  15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.623 -7.624  -26.240 1.00 17.68 ?  15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.619 -6.454  -26.331 1.00 18.10 ?  15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.512 -6.294  -25.454 1.00 17.69 ?  15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.158 -8.877  -26.950 1.00 19.18 ?  15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.064 -9.919  -27.132 1.00 21.37 ?  15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.359 -9.515  -26.266 1.00 19.42 ?  15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.514 -5.662  -27.386 1.00 17.21 ?  16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.418 -4.520  -27.647 1.00 17.51 ?  16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.629 -5.024  -28.419 1.00 18.88 ?  16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.512 -5.374  -29.574 1.00 22.18 ?  16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.674 -3.451  -28.453 1.00 18.20 ?  16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.447 -2.188  -28.638 1.00 22.53 ?  16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.536 -1.250  -27.642 1.00 25.21 ?  16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.165 -1.731  -29.683 1.00 26.30 ?  16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.270 -0.230  -28.068 1.00 24.82 ?  16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.679 -0.518  -29.323 1.00 28.63 ?  16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.751 -5.131  -27.734 1.00 14.51 ?  17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -20.004 -5.636  -28.347 1.00 14.96 ?  17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.830 -4.445  -28.886 1.00 14.13 ?  17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.875 -3.423  -28.212 1.00 14.44 ?  17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.813 -6.452  -27.317 1.00 14.68 ?  17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -20.015 -7.669  -26.816 1.00 15.59 ?  17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.143 -6.857  -27.925 1.00 14.77 ?  17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.442 -8.543  -27.904 1.00 15.23 ?  17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.426 -4.637  -30.037 1.00 13.78 ?  18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.421 -3.667  -30.588 1.00 14.49 ?  18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.669 -4.434  -30.970 1.00 14.93 ?  18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.609 -5.639  -31.246 1.00 15.88 ?  18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.832 -2.870  -31.756 1.00 17.02 ?  18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.487 -3.780  -32.796 1.00 18.48 ?  18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.678 -1.963  -31.359 1.00 18.84 ?  18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.809 -3.729  -30.953 1.00 12.94 ?  19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.100 -4.384  -31.238 1.00 12.81 ?  19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.402 -4.391  -32.726 1.00 12.65 ?  19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.076 -3.356  -33.399 1.00 15.04 ?  19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.181 -3.631  -30.483 1.00 12.91 ?  19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.983 -3.687  -28.983 1.00 12.48 ?  19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.972 -2.793  -28.248 1.00 15.05 ?  19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.082 -5.120  -28.454 1.00 15.25 ?  19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.993 -5.430  -33.211 1.00 12.09 ?  20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.377 -5.611  -34.624 1.00 12.91 ?  20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.870 -5.227  -34.800 1.00 12.53 ?  20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.759 -6.009  -34.498 1.00 12.05 ?  20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.118 -7.033  -35.110 1.00 12.64 ?  20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.449 -7.302  -36.573 1.00 15.30 ?  20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.090 -6.395  -37.188 1.00 16.04 ?  20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.201 -8.414  -37.090 1.00 15.94 ?  20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.073 -4.000  -35.306 0.25 13.97 ?  21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.097 -4.005  -35.298 0.25 14.40 ?  21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.397 -3.361  -35.572 0.25 15.04 ?  21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.451 -3.408  -35.497 0.25 15.61 ?  21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.318 -4.294  -36.350 0.25 14.80 ?  21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.340 -4.320  -36.343 0.25 15.20 ?  21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.534 -4.264  -36.101 0.25 14.82 ?  21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.563 -4.333  -36.115 0.25 15.16 ?  21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.227 -2.083  -36.408 0.25 16.89 ?  21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.346 -2.039  -36.184 0.25 18.34 ?  21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.457 -0.982  -35.700 0.25 18.80 ?  21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.950 -0.912  -35.245 0.25 20.57 ?  21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.280 0.253   -36.573 0.25 19.66 ?  21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.537 -0.401  -35.483 0.25 23.70 ?  21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.715 1.327   -35.774 0.25 20.59 ?  21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.424 0.587   -36.561 0.25 25.82 ?  21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.397 1.958   -34.838 0.25 19.85 ?  21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.912 0.356   -37.772 0.25 28.84 ?  21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.659 1.636   -34.640 0.25 21.48 ?  21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.452 -0.838  -38.100 0.25 30.83 ?  21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.834 2.904   -34.116 0.25 21.33 ?  21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.864 1.331   -38.662 0.25 30.49 ?  21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.765 -5.050  -37.297 1.00 14.00 ?  22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.572 -5.880  -38.204 1.00 15.14 ?  22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.264 -7.032  -37.486 1.00 13.41 ?  22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.232 -7.559  -37.985 1.00 13.73 ?  22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.719 -6.347  -39.388 1.00 19.43 ?  22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.483 -5.232  -40.393 1.00 27.37 ?  22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.207 -4.230  -40.426 1.00 33.75 ?  22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.456 -5.393  -41.207 1.00 39.42 ?  22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.721 -7.455  -36.309 1.00 11.82 ?  23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.276 -8.566  -35.515 1.00 11.53 ?  23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.312 -8.068  -34.505 1.00 10.76 ?  23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.972 -8.895  -33.884 1.00 10.97 ?  23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.181 -9.364  -34.783 1.00 11.66 ?  23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.611 -8.580  -33.739 1.00 12.07 ?  23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.158 -9.923  -35.756 1.00 12.54 ?  23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.341 -6.774  -34.282 1.00 10.89 ?  24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.117 -6.203  -33.161 1.00 10.64 ?  24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.617 -6.380  -33.366 1.00 10.77 ?  24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.166 -6.119  -34.500 1.00 12.29 ?  24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.808 -4.749  -32.972 1.00 11.63 ?  24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.355 -6.685  -32.340 1.00 10.48 ?  25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.814 -6.490  -32.351 1.00 10.57 ?  25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.087 -5.053  -32.812 1.00 9.99  ?  25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.376 -4.110  -32.496 1.00 9.84  ?  25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.370 -6.799  -30.977 1.00 11.49 ?  25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.850 -6.553  -30.835 1.00 12.48 ?  25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.284 -5.416  -30.700 1.00 13.13 ?  25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.582 -7.614  -30.607 1.00 16.64 ?  25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.166 -4.898  -33.586 1.00 10.05 ?  26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.534 -3.632  -34.260 1.00 10.37 ?  26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.893 -2.541  -33.268 1.00 10.75 ?  26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.028 -1.384  -33.746 1.00 11.91 ?  26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.657 -3.830  -35.246 1.00 11.79 ?  26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.767 -4.337  -34.559 1.00 14.28 ?  26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.093 -2.799  -31.995 1.00 10.02 ?  27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.386 -1.747  -30.997 1.00 10.72 ?  27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.141 -1.230  -30.279 1.00 10.47 ?  27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.258 -0.324  -29.450 1.00 11.19 ?  27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.392 -2.262  -29.990 1.00 11.38 ?  27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.800 -2.350  -30.525 1.00 11.98 ?  27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.206 -2.890  -31.714 1.00 11.76 ?  27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.977 -1.929  -29.839 1.00 13.47 ?  27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.578 -2.799  -31.816 1.00 13.57 ?  27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.057 -2.242  -30.687 1.00 13.35 ?  27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.231 -1.315  -28.616 1.00 15.23 ?  27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.385 -1.973  -30.323 1.00 15.75 ?  27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.544 -1.039  -28.257 1.00 17.81 ?  27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.594 -1.419  -29.087 1.00 18.56 ?  27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.972 -1.849  -30.565 1.00 10.12 ?  28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.758 -1.453  -29.817 1.00 10.32 ?  28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.146 -0.206  -30.438 1.00 10.98 ?  28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.147 -0.012  -31.662 1.00 11.77 ?  28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.728 -2.580  -29.809 1.00 9.85  ?  28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.171 -3.848  -29.088 1.00 10.96 ?  28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.073 -4.896  -29.109 1.00 10.72 ?  28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.588 -3.580  -27.674 1.00 12.12 ?  28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.543 0.597   -29.581 1.00 10.84 ?  29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.758 1.815   -29.934 1.00 12.59 ?  29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.303 1.577   -29.525 1.00 12.33 ?  29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.017 1.444   -28.308 1.00 12.36 ?  29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.308 3.046   -29.262 1.00 13.23 ?  29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.778 3.300   -29.659 1.00 13.82 ?  29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.451 4.264   -29.628 1.00 15.13 ?  29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.451 4.363   -28.894 1.00 16.62 ?  29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.465 1.434   -30.524 1.00 14.22 ?  30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -31.003 1.261   -30.300 1.00 13.95 ?  30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.286 2.581   -30.491 1.00 14.69 ?  30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.562 3.333   -31.509 1.00 16.31 ?  30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.500 0.187   -31.234 1.00 15.36 ?  30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.080 -1.157  -30.828 1.00 18.08 ?  30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.974 0.124   -31.248 1.00 16.02 ?  30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.935 -2.193  -31.814 1.00 19.87 ?  30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.410 2.954   -29.602 1.00 15.20 ?  31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.704 4.238   -29.679 1.00 15.64 ?  31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.792 4.303   -30.909 1.00 14.60 ?  31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.429 3.309   -31.498 1.00 14.98 ?  31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.959 4.415   -28.412 1.00 15.82 ?  31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.970 3.380   -28.241 1.00 15.96 ?  31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.388 5.540   -31.249 1.00 17.53 ?  32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.469 5.815   -32.392 1.00 18.51 ?  32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.206 4.956   -32.298 1.00 16.02 ?  32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.806 4.425   -33.332 1.00 18.55 ?  32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.119 7.311   -32.424 1.00 20.49 ?  32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.214 7.683   -33.575 1.00 22.52 ?  32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.356 9.120   -33.922 1.00 24.71 ?  32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.177 9.953   -32.687 1.00 29.51 ?  32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.257 11.364  -33.072 1.00 32.39 ?  32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.621 4.870   -31.105 1.00 17.14 ?  33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.357 4.106   -30.919 1.00 16.64 ?  33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.617 2.589   -30.899 1.00 14.53 ?  33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.618 1.836   -30.796 1.00 15.31 ?  33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.579 4.557   -29.692 1.00 17.99 ?  33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.267 4.358   -28.361 1.00 19.35 ?  33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.364 3.736   -28.342 1.00 18.56 ?  33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.653 4.747   -27.361 1.00 21.02 ?  33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.850 2.115   -31.004 1.00 14.04 ?  34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.227 0.690   -30.991 1.00 13.83 ?  34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.766 0.048   -29.681 1.00 11.95 ?  34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.639 -1.207  -29.656 1.00 13.05 ?  34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.751 -0.004  -32.267 1.00 17.51 ?  34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.416 0.609   -33.498 1.00 21.56 ?  34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -25.085 -0.088  -34.771 1.00 28.62 ?  34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.654 -0.161  -34.951 1.00 33.89 ?  34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.901 -1.265  -34.825 1.00 45.88 ?  34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.431 -2.459  -34.543 1.00 45.17 ?  34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.590 -1.163  -35.008 1.00 50.09 ?  34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.742 0.781   -28.628 1.00 11.22 ?  35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.338 0.242   -27.310 1.00 12.33 ?  35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.463 0.218   -26.279 1.00 12.08 ?  35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.271 -0.332  -25.168 1.00 13.30 ?  35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.141 1.009   -26.732 1.00 13.45 ?  35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.888 0.921   -27.586 1.00 15.51 ?  35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.009 -0.271  -27.346 1.00 17.01 ?  35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.272 -0.094  -26.103 1.00 18.10 ?  35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.562 -1.049  -25.501 1.00 17.33 ?  35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.493 -2.225  -26.059 1.00 17.21 ?  35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.915 -0.794  -24.387 1.00 18.94 ?  35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.603 0.828   -26.553 1.00 11.23 ?  36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.763 0.851   -25.641 1.00 12.45 ?  36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.019 0.464   -26.390 1.00 10.97 ?  36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.159 0.770   -27.592 1.00 12.12 ?  36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.963 2.247   -25.039 1.00 15.04 ?  36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.700 2.867   -24.475 1.00 17.54 ?  36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.029 4.117   -23.676 1.00 21.44 ?  36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.185 4.379   -23.316 1.00 26.31 ?  36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.011 4.914   -23.425 1.00 26.55 ?  36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.971 -0.102  -25.665 1.00 10.54 ?  37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.285 -0.476  -26.251 1.00 10.61 ?  37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.349 -0.324  -25.194 1.00 10.32 ?  37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.162 -0.716  -24.055 1.00 10.31 ?  37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.239 -1.878  -26.862 1.00 9.99  ?  37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.811 -2.961  -25.842 1.00 10.28 ?  37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.541 -2.257  -27.531 1.00 10.92 ?  37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.494 0.204   -25.603 1.00 10.66 ?  38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.676 0.259   -24.727 1.00 11.39 ?  38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.933 -0.026  -25.560 1.00 10.87 ?  38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.949 0.082   -26.777 1.00 10.86 ?  38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.804 1.588   -23.994 1.00 13.40 ?  38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.055 2.736   -24.943 1.00 15.16 ?  38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.043 4.044   -24.137 1.00 17.41 ?  38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.381 5.195   -24.953 1.00 21.47 ?  38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.590 5.630   -25.240 1.00 18.50 ?  38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.668 5.049   -24.766 1.00 19.96 ?  38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.691 6.695   -26.045 1.00 23.73 ?  38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.969 -0.348  -24.795 0.25 10.09 ?  39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -36.991 -0.464  -24.881 0.25 11.74 ?  39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.335 -0.594  -25.309 0.25 10.94 ?  39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.266 -0.740  -25.599 0.25 13.20 ?  39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.970 0.752   -25.682 0.25 10.75 ?  39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.080 0.548   -25.672 0.25 11.94 ?  39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.980 1.668   -24.871 0.25 10.98 ?  39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.427 1.114   -24.576 0.25 10.71 ?  39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.150 -1.333  -24.245 0.25 10.64 ?  39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.139 -1.828  -24.967 0.25 15.66 ?  39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.493 -1.882  -24.744 0.25 12.20 ?  39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.460 -2.065  -25.765 0.25 17.45 ?  39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.360 -2.934  -26.264 0.25 14.61 ?  39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.273 -3.565  -25.204 0.25 20.04 ?  39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -41.994 -3.667  -26.344 0.25 14.26 ?  39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.658 -3.587  -26.340 0.25 19.84 ?  39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.367 0.922   -26.928 1.00 11.99 ?  40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.208 2.082   -27.276 1.00 13.81 ?  40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.663 1.858   -26.893 1.00 15.22 ?  40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.062 0.785   -26.471 1.00 15.25 ?  40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.459 2.940   -26.927 1.00 18.26 ?  41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.911 2.861   -26.563 1.00 19.70 ?  41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.724 2.530   -27.831 1.00 19.01 ?  41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.970 2.436   -27.706 1.00 18.85 ?  41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.372 4.130   -25.796 1.00 24.54 ?  41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.913 4.246   -24.326 1.00 33.52 ?  41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.752 3.195   -23.647 1.00 39.23 ?  41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.759 5.395   -23.825 1.00 36.19 ?  41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.111 2.293   -28.986 1.00 15.33 ?  42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.804 1.988   -30.276 1.00 15.04 ?  42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.861 1.322   -31.271 1.00 12.43 ?  42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.568 1.275   -31.058 1.00 12.56 ?  42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.326 3.338   -30.750 1.00 16.69 ?  42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.236 3.086   -31.795 1.00 18.10 ?  42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.226 4.277   -31.191 1.00 18.82 ?  42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.362 0.844   -32.401 1.00 13.14 ?  43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.535 0.355   -33.515 1.00 12.13 ?  43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.573 1.452   -33.971 1.00 12.99 ?  43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.020 2.631   -34.174 1.00 12.98 ?  43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.467 -0.145  -34.620 1.00 12.30 ?  43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.847 -0.816  -35.766 1.00 11.93 ?  43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.086 -0.158  -36.705 1.00 12.36 ?  43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.970 -2.097  -36.208 1.00 12.09 ?  43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.745 -0.994  -37.647 1.00 12.47 ?  43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.265 -2.236  -37.354 1.00 13.21 ?  43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.310 1.121   -34.220 1.00 11.76 ?  44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.289 2.147   -34.505 1.00 11.77 ?  44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.108 2.394   -36.003 1.00 13.06 ?  44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.103 3.002   -36.391 1.00 14.17 ?  44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.968 1.758   -33.808 1.00 12.66 ?  44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.103 1.799   -32.317 1.00 13.01 ?  44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.538 3.134   -31.779 1.00 13.21 ?  44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.483 3.259   -30.982 1.00 15.70 ?  44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.909 4.192   -32.249 1.00 12.09 ?  44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.048 1.979   -36.843 1.00 12.63 ?  45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.152 2.443   -38.254 1.00 11.96 ?  45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.066 1.822   -39.103 1.00 12.95 ?  45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.616 2.434   -40.074 1.00 14.20 ?  45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.169 3.986   -38.380 1.00 12.18 ?  45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.854 4.413   -39.666 1.00 11.86 ?  45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.713 3.727   -40.230 1.00 11.99 ?  45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.396 5.528   -40.241 1.00 11.99 ?  45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.690 0.570   -38.826 1.00 15.30 ?  46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.722 -0.249  -39.617 1.00 15.71 ?  46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.504 -1.288  -40.442 1.00 14.51 ?  46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.549 -1.698  -39.987 1.00 15.55 ?  46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.684 -0.924  -38.674 1.00 16.99 ?  46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.790 0.103   -37.993 1.00 19.78 ?  46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.331 -1.815  -37.615 1.00 18.06 ?  46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.980 -1.753  -41.567 1.00 16.16 ?  47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.553 -2.887  -42.319 1.00 16.98 ?  47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.337 -4.190  -41.549 1.00 14.88 ?  47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.350 -4.325  -40.778 1.00 15.15 ?  47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.972 -2.993  -43.714 1.00 19.11 ?  47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.568 -3.119  -43.642 1.00 22.01 ?  47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.199 -5.160  -41.734 1.00 15.72 ?  48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -40.061 -6.517  -41.144 1.00 15.98 ?  48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -39.070 -7.306  -41.998 1.00 16.65 ?  48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.784 -6.940  -43.173 1.00 17.60 ?  48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.414 -7.242  -41.001 1.00 17.29 ?  48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.465 -8.259  -39.851 1.00 19.21 ?  48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.397 -8.477  -39.205 1.00 16.26 ?  48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.568 -8.873  -39.555 1.00 19.05 ?  48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.458 -8.317  -41.370 1.00 15.59 ?  49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.499 -9.219  -42.039 1.00 17.10 ?  49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.455 -10.496 -41.217 1.00 18.44 ?  49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -38.005 -10.556 -40.105 1.00 18.12 ?  49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -36.171 -8.513  -42.242 1.00 16.31 ?  49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.368 -8.332  -40.964 1.00 16.96 ?  49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.203 -9.297  -40.207 1.00 18.31 ?  49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.886 -7.160  -40.668 1.00 16.75 ?  49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.910 -11.539 -41.826 1.00 20.30 ?  50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.908 -12.898 -41.238 1.00 20.26 ?  50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.979 -12.978 -40.010 1.00 16.83 ?  50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -36.200 -13.880 -39.215 1.00 19.12 ?  50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.399 -13.916 -42.277 1.00 24.50 ?  50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.948 -13.722 -42.660 1.00 30.01 ?  50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.543 -14.302 -44.007 1.00 39.37 ?  50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -33.041 -14.289 -44.191 1.00 44.08 ?  50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.613 -15.385 -45.090 1.00 51.33 ?  50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -35.080 -12.036 -39.846 1.00 15.80 ?  51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -34.159 -12.049 -38.673 1.00 15.80 ?  51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.795 -11.443 -37.418 1.00 15.22 ?  51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.281 -11.729 -36.292 1.00 15.47 ?  51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.924 -11.233 -38.950 1.00 18.46 ?  51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -32.050 -11.684 -40.117 1.00 25.33 ?  51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.919 -10.680 -40.342 1.00 35.09 ?  51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.930 -9.999  -41.400 1.00 48.17 ?  51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -30.047 -10.511 -39.444 1.00 41.27 ?  51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.809 -10.571 -37.512 1.00 14.03 ?  52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.272 -9.864  -36.288 1.00 12.02 ?  52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.980 -10.784 -35.342 1.00 12.41 ?  52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.870 -11.551 -35.713 1.00 13.66 ?  52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.252 -8.751  -36.667 1.00 12.07 ?  52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.670 -7.641  -37.502 1.00 13.77 ?  52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.560 -6.355  -37.420 1.00 12.42 ?  52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.048 -5.357  -38.303 1.00 14.23 ?  52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.962 -4.646  -38.098 1.00 13.99 ?  52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.346 -4.659  -36.910 1.00 13.14 ?  52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.464 -3.832  -39.034 1.00 16.41 ?  52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.665 -10.689 -34.062 1.00 11.94 ?  53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.463 -11.365 -33.033 1.00 11.45 ?  53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.892 -10.786 -33.018 1.00 13.47 ?  53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -39.031 -9.583  -32.807 1.00 13.00 ?  53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.834 -11.240 -31.657 1.00 10.22 ?  53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.591 -12.086 -31.498 1.00 10.52 ?  53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.723 -13.440 -31.251 1.00 10.78 ?  53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.322 -11.551 -31.578 1.00 11.08 ?  53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.603 -14.249 -31.096 1.00 11.95 ?  53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.190 -12.370 -31.411 1.00 11.13 ?  53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.353 -13.715 -31.153 1.00 10.52 ?  53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.911 -11.601 -33.194 1.00 14.00 ?  54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.309 -11.081 -33.352 1.00 15.31 ?  54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.024 -11.009 -32.016 1.00 15.95 ?  54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.824 -10.044 -31.792 1.00 18.30 ?  54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -42.056 -11.966 -34.363 1.00 16.66 ?  54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.150 -13.302 -33.909 1.00 16.49 ?  54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.892 -11.950 -31.143 1.00 14.45 ?  55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.818 -12.101 -30.003 1.00 15.77 ?  55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.324 -11.362 -28.767 1.00 13.79 ?  55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.119 -11.158 -27.841 1.00 16.08 ?  55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.061 -13.556 -29.616 1.00 17.14 ?  55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -43.928 -14.339 -30.590 1.00 18.97 ?  55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.722 -14.239 -31.780 1.00 21.46 ?  55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.845 -15.150 -30.065 1.00 22.83 ?  55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.010 -11.100 -28.657 1.00 12.72 ?  56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.403 -10.593 -27.398 1.00 12.19 ?  56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.463 -9.450  -27.749 1.00 10.68 ?  56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.935 -9.403  -28.851 1.00 10.90 ?  56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.616 -11.727 -26.740 1.00 12.80 ?  56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.313 -13.067 -26.694 1.00 13.94 ?  56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.376 -13.253 -25.823 1.00 16.15 ?  56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.990 -14.132 -27.524 1.00 15.38 ?  56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -42.047 -14.468 -25.727 1.00 17.59 ?  56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.682 -15.330 -27.481 1.00 15.90 ?  56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.700 -15.511 -26.560 1.00 16.15 ?  56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.308 -16.743 -26.521 1.00 16.89 ?  56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.121 -8.575  -26.776 1.00 10.38 ?  57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.270 -7.416  -27.029 1.00 10.02 ?  57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.760 -7.739  -27.016 1.00 8.77  ?  57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.988 -7.189  -26.261 1.00 9.37  ?  57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.674 -6.407  -25.910 1.00 11.89 ?  57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.900 -6.997  -25.261 1.00 13.38 ?  57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.787 -8.470  -25.476 1.00 11.22 ?  57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.377 -8.618  -27.962 1.00 8.92  ?  58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.038 -9.237  -28.043 1.00 8.34  ?  58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.251 -8.646  -29.191 1.00 8.83  ?  58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.785 -8.140  -30.228 1.00 9.90  ?  58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.189 -10.734 -28.206 1.00 9.16  ?  58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.737 -11.436 -27.013 1.00 9.28  ?  58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.216 -13.128 -27.419 1.00 10.98 ?  58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.827 -13.758 -25.861 1.00 12.18 ?  58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.924 -8.700  -29.045 1.00 9.11  ?  59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.954 -8.240  -30.061 1.00 9.72  ?  59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.649 -9.018  -29.864 1.00 9.53  ?  59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.331 -9.406  -28.717 1.00 9.96  ?  59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.742 -6.721  -30.006 1.00 10.08 ?  59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.224 -6.231  -28.674 1.00 10.11 ?  59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.882 -6.211  -31.145 1.00 10.30 ?  59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.876 -9.207  -30.923 1.00 9.06  ?  60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.552 -9.879  -30.860 1.00 9.02  ?  60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.451 -8.866  -30.970 1.00 9.95  ?  60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.566 -7.800  -31.688 1.00 11.43 ?  60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.380 -10.914 -31.959 1.00 10.39 ?  60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.443 -11.980 -31.972 1.00 10.71 ?  60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.176 -13.055 -33.026 1.00 12.02 ?  60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.635 -12.629 -30.617 1.00 10.85 ?  60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.290 -9.188  -30.389 1.00 9.91  ?  61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -25.026 -8.525  -30.780 1.00 10.67 ?  61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.617 -8.857  -32.221 1.00 10.45 ?  61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.942 -9.889  -32.720 1.00 11.32 ?  61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.891 -7.938  -32.841 1.00 11.78 ?  62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.374 -8.139  -34.215 1.00 13.23 ?  62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.267 -9.192  -34.249 1.00 13.63 ?  62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.112 -9.910  -35.273 1.00 17.11 ?  62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.878 -6.850  -34.767 1.00 14.58 ?  62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.485 -9.260  -33.181 1.00 13.08 ?  63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.282 -10.131 -33.155 1.00 13.59 ?  63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.703 -11.605 -33.128 1.00 13.73 ?  63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.728 -11.995 -32.491 1.00 14.41 ?  63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.448 -9.755  -31.939 1.00 15.91 ?  63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.773 -8.402  -32.047 1.00 17.54 ?  63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.747 -7.244  -31.909 1.00 17.08 ?  63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.714 -7.325  -31.139 1.00 16.39 ?  63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.486 -6.138  -32.583 1.00 19.87 ?  63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.959 -12.468 -33.845 1.00 14.40 ?  64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.114 -13.929 -33.833 1.00 15.01 ?  64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.840 -14.544 -33.266 1.00 12.98 ?  64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.737 -14.101 -33.626 1.00 16.56 ?  64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.276 -14.524 -35.249 1.00 18.12 ?  64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.627 -14.346 -35.941 1.00 26.21 ?  64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.177 -12.950 -35.761 1.00 27.00 ?  64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.015 -12.160 -36.674 1.00 31.35 ?  64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.733 -12.601 -37.695 1.00 29.10 ?  64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.430 -11.734 -38.415 1.00 32.79 ?  64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.725 -13.872 -38.023 1.00 31.44 ?  64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.970 -15.482 -32.373 1.00 11.76 ?  65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.816 -16.151 -31.733 1.00 12.84 ?  65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.895 -17.628 -32.005 1.00 12.03 ?  65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.886 -18.276 -31.800 1.00 12.23 ?  65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.874 -15.900 -30.216 1.00 14.98 ?  65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.889 -14.425 -29.834 1.00 16.20 ?  65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.886 -13.615 -30.329 1.00 19.12 ?  65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.875 -13.841 -29.063 1.00 23.87 ?  65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.816 -12.265 -30.037 1.00 22.11 ?  65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.798 -12.479 -28.755 1.00 19.99 ?  65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.803 -11.710 -29.286 1.00 21.29 ?  65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.771 -18.184 -32.471 0.25 12.48 ?  66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.765 -18.191 -32.445 0.25 12.49 ?  66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.648 -19.629 -32.801 0.25 13.03 ?  66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.611 -19.645 -32.726 0.25 12.95 ?  66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.433 -20.278 -32.107 0.25 12.71 ?  66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.322 -20.201 -32.121 0.25 12.76 ?  66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.282 -21.513 -32.237 0.25 12.71 ?  66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.906 -21.286 -32.535 0.25 11.46 ?  66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.672 -19.831 -34.316 0.25 13.47 ?  66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.611 -19.899 -34.197 0.25 13.48 ?  66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.020 -19.718 -34.826 0.25 14.26 ?  66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.560 -19.168 -34.779 0.25 14.26 ?  66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.652 -19.500 -31.345 0.25 12.14 ?  67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.684 -19.458 -31.231 0.25 13.02 ?  67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.456 -19.977 -30.589 0.25 12.64 ?  67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.416 -19.893 -30.604 0.25 14.50 ?  67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.143 -18.997 -29.453 0.25 13.54 ?  67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.040 -18.904 -29.511 0.25 14.61 ?  67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.752 -17.933 -29.422 0.25 14.12 ?  67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.466 -17.731 -29.598 0.25 14.93 ?  67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.238 -20.102 -31.510 0.25 13.09 ?  67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.305 -19.966 -31.639 0.25 15.85 ?  67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.790 -18.826 -31.941 0.25 13.55 ?  67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.147 -20.557 -31.078 0.25 19.30 ?  67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.194 -19.333 -28.583 1.00 14.83 ?  68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.608 -18.378 -27.645 1.00 15.76 ?  68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.464 -18.087 -26.417 1.00 12.98 ?  68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.469 -18.758 -26.154 1.00 14.54 ?  68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.941 -17.116 -25.707 1.00 12.97 ?  69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.522 -16.617 -24.458 1.00 13.59 ?  69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.969 -15.186 -24.710 1.00 13.49 ?  69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.212 -14.382 -25.212 1.00 14.68 ?  69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.486 -16.726 -23.350 1.00 15.17 ?  69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.108 -18.149 -22.990 1.00 15.75 ?  69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.986  -18.223 -21.927 1.00 18.22 ?  69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.582  -19.639 -21.575 1.00 20.69 ?  69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.553  -19.667 -20.502 1.00 24.44 ?  69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.173 -14.846 -24.274 1.00 12.66 ?  70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.817 -13.523 -24.469 1.00 12.22 ?  70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.464 -13.060 -23.170 1.00 11.54 ?  70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.015 -13.898 -22.464 1.00 12.65 ?  70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.909 -13.576 -25.518 1.00 12.46 ?  70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.469 -13.777 -26.948 1.00 13.62 ?  70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.721 -15.322 -27.476 1.00 15.31 ?  70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.919 -16.534 -27.003 1.00 16.23 ?  70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.407 -11.770 -22.893 1.00 11.69 ?  71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.017 -11.199 -21.672 1.00 12.02 ?  71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.642 -9.866  -22.052 1.00 12.61 ?  71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -16.012 -9.045  -22.753 1.00 12.76 ?  71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.966 -11.003 -20.573 1.00 12.89 ?  71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.493 -10.391 -19.299 1.00 12.52 ?  71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.227 -11.134 -18.393 1.00 13.02 ?  71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.297 -9.045  -19.016 1.00 13.39 ?  71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.743 -10.584 -17.220 1.00 13.53 ?  71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.817 -8.471  -17.865 1.00 12.89 ?  71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.501 -9.236  -16.954 1.00 13.46 ?  71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.044 -8.663  -15.847 1.00 14.92 ?  71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.836 -9.597  -21.541 1.00 11.29 ?  72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.447 -8.248  -21.640 1.00 11.82 ?  72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.354 -8.005  -20.441 1.00 11.50 ?  72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.675 -8.917  -19.689 1.00 12.11 ?  72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.186 -8.031  -22.993 1.00 11.32 ?  72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.346 -8.939  -23.248 1.00 10.90 ?  72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.678 -8.638  -23.069 1.00 10.69 ?  72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.354 -10.265 -23.780 1.00 11.22 ?  72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.478 -9.679  -23.441 1.00 11.01 ?  72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.682 -10.706 -23.883 1.00 11.31 ?  72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.338 -11.147 -24.198 1.00 12.93 ?  72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.031 -11.940 -24.390 1.00 11.68 ?  72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.676 -12.383 -24.702 1.00 14.80 ?  72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -21.002 -12.796 -24.761 1.00 13.79 ?  72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.730 -6.739  -20.286 1.00 11.35 ?  73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.564 -6.269  -19.171 1.00 10.70 ?  73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.792 -5.509  -19.665 1.00 10.15 ?  73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.699 -4.772  -20.620 1.00 11.23 ?  73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.777 -5.405  -18.189 1.00 12.47 ?  73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.707 -6.216  -17.456 1.00 14.91 ?  73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.850 -5.469  -16.451 1.00 16.46 ?  73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.002 -4.214  -16.350 1.00 22.94 ?  73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -17.001 -6.150  -15.743 1.00 16.32 ?  73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.867 -5.687  -18.936 1.00 10.19 ?  74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.155 -5.061  -19.257 1.00 9.90  ?  74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.711 -4.382  -18.021 1.00 10.33 ?  74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.852 -5.016  -16.955 1.00 11.82 ?  74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.176 -6.065  -19.818 1.00 10.04 ?  74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.415 -5.336  -20.282 1.00 11.73 ?  74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.581 -6.924  -20.909 1.00 11.16 ?  74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.163 -3.140  -18.179 1.00 10.93 ?  75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.834 -2.357  -17.126 1.00 11.47 ?  75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.330 -2.623  -17.175 1.00 10.67 ?  75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.957 -2.490  -18.289 1.00 11.15 ?  75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.544 -0.859  -17.287 1.00 13.28 ?  75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.953 -0.057  -16.066 1.00 15.36 ?  75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.099 -0.010  -15.745 1.00 15.64 ?  75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.051 0.390   -15.333 1.00 19.65 ?  75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.924 -3.014  -16.042 0.65 10.58 ?  76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.373 -3.355  -15.908 0.65 10.73 ?  76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.048 -2.452  -14.862 0.65 10.65 ?  76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.121 -2.797  -14.361 0.65 11.13 ?  76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.546 -4.855  -15.566 0.65 10.33 ?  76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -29.001 -5.780  -16.665 0.65 10.24 ?  76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.928 -5.243  -14.231 0.65 10.65 ?  76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.418 -1.335  -14.516 0.65 11.25 ?  77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.889 -0.458  -13.424 0.65 12.68 ?  77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.375 -0.128  -13.609 0.65 12.22 ?  77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.797 0.306   -14.701 0.65 12.84 ?  77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.063 0.824   -13.361 0.65 13.44 ?  77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.694 0.502   -13.107 0.65 15.46 ?  77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.592 1.753   -12.292 0.65 14.75 ?  77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.133 -0.342  -12.542 0.65 13.69 ?  78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.566 0.026   -12.374 0.65 14.55 ?  78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.482 -0.676  -13.368 0.65 14.12 ?  78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.638 -0.227  -13.571 0.65 15.31 ?  78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.748 1.534   -12.443 0.65 17.40 ?  78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.434 2.162   -11.099 0.65 18.33 ?  78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.370 1.684   -10.010 0.65 19.43 ?  78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -33.983 0.952   -9.104  0.65 23.32 ?  78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.630 2.050   -10.124 0.65 21.91 ?  78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.053 -1.805  -13.908 1.00 12.45 ?  79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.990 -2.667  -14.630 1.00 10.86 ?  79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.684 -3.681  -13.723 1.00 10.84 ?  79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.040 -4.195  -12.755 1.00 12.12 ?  79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.260 -3.349  -15.769 1.00 10.88 ?  79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.824 -2.374  -16.874 1.00 10.87 ?  79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.314 -3.028  -18.121 1.00 11.13 ?  79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.391 -3.744  -18.904 1.00 10.78 ?  79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.599 -2.914  -19.192 1.00 9.97  ?  79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.922 -3.994  -14.025 1.00 9.68  ?  80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.718 -5.003  -13.321 1.00 9.69  ?  80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.679 -6.355  -14.028 1.00 9.93  ?  80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.036 -7.357  -13.441 1.00 10.81 ?  80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.195 -4.585  -13.296 1.00 10.82 ?  80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.519 -3.351  -12.493 1.00 12.73 ?  80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.981 -2.898  -12.618 1.00 12.55 ?  80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.378 -2.081  -11.780 1.00 15.09 ?  80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.705 -3.411  -13.481 1.00 13.82 ?  80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.308 -6.409  -15.307 1.00 10.02 ?  81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.325 -7.662  -16.071 1.00 9.90  ?  81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.344 -7.508  -17.218 1.00 9.72  ?  81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.286 -6.454  -17.907 1.00 10.12 ?  81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.694 -7.954  -16.592 1.00 10.99 ?  81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.602 -8.596  -17.493 1.00 9.09  ?  82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.633 -8.682  -18.625 1.00 8.76  ?  82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.136 -10.112 -18.712 1.00 9.13  ?  82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.231 -10.883 -17.730 1.00 9.55  ?  82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.477 -7.705  -18.428 1.00 9.90  ?  82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.810 -7.745  -17.094 1.00 9.97  ?  82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.997 -6.895  -16.051 1.00 10.46 ?  82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.830 -8.688  -16.572 1.00 9.96  ?  82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.217 -7.185  -14.984 1.00 10.06 ?  82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.484 -8.312  -15.266 1.00 10.02 ?  82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.199 -9.851  -17.101 1.00 11.07 ?  82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.562 -8.982  -14.466 1.00 10.43 ?  82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.285 -10.542 -16.317 1.00 11.15 ?  82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -29.978 -10.096 -15.019 1.00 11.62 ?  82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.587 -10.443 -19.871 1.00 9.04  ?  83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.820 -11.708 -20.080 1.00 9.19  ?  83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.472 -11.325 -20.679 1.00 8.88  ?  83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.414 -10.419 -21.544 1.00 8.96  ?  83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.497 -12.676 -21.034 1.00 10.68 ?  83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.991 -12.877 -20.936 1.00 12.24 ?  83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.437 -12.898 -19.815 1.00 15.45 ?  83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.671 -13.062 -21.996 1.00 14.04 ?  83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.398 -12.003 -20.289 1.00 8.25  ?  84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.034 -11.781 -20.843 1.00 8.82  ?  84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.318 -13.104 -21.039 1.00 8.25  ?  84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.457 -13.992 -20.203 1.00 8.58  ?  84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.202 -10.923 -19.890 1.00 9.24  ?  84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.569 -9.448  -19.747 1.00 10.59 ?  84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.737 -8.783  -18.652 1.00 11.64 ?  84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.373 -8.736  -21.052 1.00 11.33 ?  84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.487 -13.149 -22.064 1.00 8.00  ?  85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.507 -14.249 -22.190 1.00 8.49  ?  85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.989 -14.306 -23.601 1.00 7.90  ?  85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.601 -13.294 -24.199 1.00 8.50  ?  85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.930 -15.540 -24.104 0.25 8.17  ?  86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.975 -15.503 -24.149 0.25 8.54  ?  86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.540 -15.862 -25.505 0.25 8.09  ?  86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.371 -15.764 -25.480 0.25 8.76  ?  86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.541 -16.811 -26.126 0.25 8.53  ?  86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.263 -16.849 -26.108 0.25 9.23  ?  86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.276 -17.552 -25.448 0.25 8.63  ?  86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.800 -17.637 -25.341 0.25 9.33  ?  86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.136 -16.476 -25.657 0.25 8.16  ?  86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.876 -16.127 -25.291 0.25 9.17  ?  86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.129 -15.422 -25.288 0.25 7.86  ?  86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.705 -17.477 -24.623 0.25 9.16  ?  86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.955 -17.759 -24.859 0.25 8.08  ?  86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.077 -16.057 -26.573 0.25 9.67  ?  86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.457 -16.863 -27.441 1.00 9.19  ?  87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.262 -17.841 -28.127 1.00 9.98  ?  87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.596 -18.260 -29.430 1.00 9.45  ?  87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.737 -17.557 -29.975 1.00 9.73  ?  87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.677 -17.315 -28.383 1.00 11.24 ?  87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.768 -15.910 -29.522 1.00 11.02 ?  87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.064 -19.361 -29.970 0.25 9.81  ?  88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.031 -19.398 -29.955 0.25 9.01  ?  88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.611 -19.749 -31.320 0.25 10.56 ?  88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.582 -19.880 -31.293 0.25 9.19  ?  88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.046 -18.705 -32.340 0.25 9.66  ?  88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.095 -18.903 -32.362 0.25 9.24  ?  88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.090 -18.041 -32.233 0.25 8.92  ?  88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.283 -18.484 -32.256 0.25 9.81  ?  88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.217 -21.085 -31.722 0.25 12.12 ?  88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.132 -21.287 -31.565 0.25 9.19  ?  88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.756 -22.194 -30.804 0.25 14.02 ?  88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.424 -22.014 -32.700 0.25 8.95  ?  88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.290 -23.512 -31.287 0.25 15.96 ?  88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -27.002 -23.384 -32.971 0.25 9.52  ?  88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -26.979 -24.582 -30.354 0.25 16.32 ?  88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.838 -24.221 -31.814 0.25 9.23  ?  88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.821 -25.541 -30.041 0.25 17.17 ?  88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.838 -24.791 -31.147 0.25 9.21  ?  88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.022 -25.549 -30.584 0.25 17.71 ?  88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.069 -24.739 -31.603 0.25 10.11 ?  88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.459 -26.476 -29.188 0.25 18.93 ?  88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.571 -25.447 -30.034 0.25 9.22  ?  88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.271 -18.610 -33.389 1.00 10.37 ?  89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.664 -17.689 -34.474 1.00 11.55 ?  89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.963 -18.167 -35.099 1.00 12.24 ?  89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.722 -17.273 -35.589 1.00 15.44 ?  89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.550 -17.639 -35.527 1.00 12.99 ?  89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.198 -18.920 -36.240 1.00 13.83 ?  89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.633 -20.004 -35.826 1.00 15.84 ?  89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.413 -18.783 -37.237 1.00 17.18 ?  89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.321 -19.423 -35.083 1.00 10.90 ?  90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.482 -19.956 -35.810 1.00 13.03 ?  90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.719 -20.161 -34.914 1.00 11.68 ?  90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.617 -20.869 -35.299 1.00 13.51 ?  90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.099 -21.228 -36.493 1.00 15.06 ?  90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.639 -22.149 -35.584 1.00 15.17 ?  90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.778 -19.517 -33.740 1.00 11.35 ?  91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.999 -19.615 -32.908 1.00 11.52 ?  91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.228 -19.111 -33.699 1.00 11.45 ?  91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.137 -18.211 -34.531 1.00 11.89 ?  91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.892 -18.858 -31.576 1.00 11.11 ?  91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.876 -19.566 -30.671 1.00 11.30 ?  91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.646 -17.376 -31.724 1.00 11.10 ?  91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.335 -19.749 -33.392 1.00 12.52 ?  92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.689 -19.315 -33.821 1.00 13.38 ?  92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.883 -17.819 -33.519 1.00 12.38 ?  92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.558 -17.337 -32.437 1.00 13.44 ?  92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.686 -20.157 -33.024 1.00 15.11 ?  92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.162 -19.916 -33.350 1.00 17.30 ?  92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.104 -20.785 -32.526 1.00 19.66 ?  92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.726 -21.795 -31.900 1.00 20.56 ?  92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.378 -20.407 -32.477 1.00 21.19 ?  92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.499 -17.123 -34.474 1.00 12.18 ?  93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.787 -15.654 -34.366 1.00 12.06 ?  93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.291 -15.433 -34.240 1.00 12.84 ?  93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.689 -14.443 -33.593 1.00 13.34 ?  93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.253 -14.852 -35.526 1.00 12.78 ?  93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.786 -15.107 -35.852 1.00 12.46 ?  93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.859 -14.813 -34.633 1.00 12.12 ?  93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.483 -15.274 -34.952 1.00 13.17 ?  93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.613 -14.566 -35.614 1.00 12.40 ?  93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.908 -13.349 -36.009 1.00 14.23 ?  93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.432 -15.074 -35.938 1.00 14.75 ?  93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.123 -16.265 -34.861 1.00 12.86 ?  94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.582 -15.987 -34.993 1.00 13.11 ?  94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.372 -16.922 -34.113 1.00 14.08 ?  94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -41.015 -18.128 -34.050 1.00 16.77 ?  94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -41.017 -16.174 -36.449 1.00 14.08 ?  94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.240 -15.367 -37.453 1.00 14.97 ?  94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.277 -13.863 -37.169 1.00 15.10 ?  94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.542 -13.125 -38.235 1.00 16.06 ?  94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.523 -11.647 -38.035 1.00 16.86 ?  94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.442 -16.451 -33.486 1.00 14.59 ?  95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.305 -17.278 -32.648 1.00 15.38 ?  95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.801 -17.444 -31.238 1.00 17.28 ?  95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.812 -16.734 -30.818 1.00 17.94 ?  95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.432 -18.350 -30.532 1.00 17.38 ?  96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.182 -18.591 -29.100 1.00 19.69 ?  96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.107 -19.644 -28.922 1.00 18.93 ?  96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.034 -20.571 -29.715 1.00 20.19 ?  96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.465 -19.048 -28.403 1.00 21.99 ?  96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.507 -17.960 -28.487 1.00 28.56 ?  96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.869 -18.383 -28.021 1.00 37.16 ?  96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.200 -18.239 -26.846 1.00 46.23 ?  96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.655 -18.907 -28.953 1.00 41.50 ?  96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.241 -19.444 -27.935 1.00 15.94 ?  97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.200 -20.418 -27.586 1.00 15.89 ?  97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.720 -20.126 -26.180 1.00 15.23 ?  97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.859 -19.021 -25.674 1.00 16.52 ?  97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.017 -20.360 -28.560 1.00 15.35 ?  97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.408 -18.987 -28.716 1.00 14.29 ?  97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.409 -18.560 -27.852 1.00 14.69 ?  97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.798 -18.130 -29.739 1.00 14.40 ?  97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.825 -17.312 -27.994 1.00 14.09 ?  97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.196 -16.889 -29.899 1.00 14.17 ?  97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.212 -16.490 -29.023 1.00 14.43 ?  97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.168 -21.138 -25.519 0.25 15.79 ?  98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.140 -21.157 -25.574 0.25 15.10 ?  98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.533 -20.983 -24.185 0.25 15.91 ?  98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.481 -21.114 -24.246 0.25 14.96 ?  98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.022 -20.826 -24.353 0.25 14.34 ?  98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -36.996 -20.781 -24.419 0.25 13.75 ?  98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.429 -21.422 -25.273 0.25 13.94 ?  98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.392 -21.178 -25.461 0.25 13.33 ?  98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.834 -22.134 -23.276 0.25 18.88 ?  98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.657 -22.425 -23.526 0.25 16.45 ?  98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.535 -23.354 -23.928 0.25 21.92 ?  98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.029 -22.622 -23.199 0.25 18.92 ?  98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.427 -20.059 -23.450 1.00 13.41 ?  99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.975 -19.880 -23.395 1.00 13.41 ?  99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.375 -21.072 -22.692 1.00 13.23 ?  99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.476 -21.230 -21.471 1.00 15.13 ?  99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.610 -18.606 -22.656 1.00 13.53 ?  99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.137 -17.321 -23.273 1.00 15.38 ?  99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.743 -16.119 -22.407 1.00 15.31 ?  99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.629 -17.111 -24.685 1.00 16.50 ?  99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.698 -21.948 -23.432 1.00 12.11 ?  100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.110 -23.186 -22.880 1.00 12.55 ?  100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.904 -23.555 -23.736 1.00 11.54 ?  100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.899 -23.238 -24.930 1.00 11.41 ?  100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.088 -24.363 -22.861 1.00 14.21 ?  100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.443 -24.705 -24.189 1.00 17.35 ?  100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.953 -24.318 -23.222 1.00 11.38 ?  101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.872 -24.827 -24.065 1.00 12.47 ?  101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.399 -25.715 -25.196 1.00 12.07 ?  101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.834 -25.624 -26.306 1.00 12.55 ?  101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.974 -25.601 -23.089 1.00 12.88 ?  101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.240 -24.913 -21.767 1.00 14.06 ?  101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.713 -24.586 -21.806 1.00 13.31 ?  101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.459 -26.472 -25.003 1.00 12.92 ?  102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.056 -27.288 -26.089 1.00 15.09 ?  102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.435 -26.388 -27.262 1.00 14.32 ?  102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.409 -26.843 -28.442 1.00 15.24 ?  102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.232 -28.102 -25.558 1.00 19.54 ?  102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.887 -28.945 -24.348 1.00 27.78 ?  102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.227 -28.379 -22.967 1.00 31.98 ?  102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.409 -27.574 -22.372 1.00 22.48 ?  102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.296 -28.822 -22.438 1.00 41.47 ?  102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.890 -25.156 -27.016 1.00 12.54 ?  103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.298 -24.227 -28.086 1.00 12.44 ?  103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.155 -23.308 -28.485 1.00 11.15 ?  103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.347 -22.443 -29.336 1.00 12.26 ?  103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.521 -23.398 -27.663 1.00 13.54 ?  103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.795 -24.189 -27.625 1.00 16.25 ?  103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.892 -25.283 -28.227 1.00 18.46 ?  103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.753 -23.717 -26.838 1.00 16.94 ?  103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.936 -23.501 -27.983 1.00 10.35 ?  104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.781 -22.712 -28.394 1.00 10.30 ?  104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.516 -21.440 -27.603 1.00 9.01  ?  104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.854 -20.547 -28.102 1.00 9.65  ?  104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.972 -21.393 -26.326 1.00 9.75  ?  105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.781 -20.209 -25.443 1.00 9.12  ?  105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.076 -20.578 -24.141 1.00 8.59  ?  105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.518 -21.547 -23.513 1.00 10.11 ?  105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.126 -19.565 -25.086 1.00 9.48  ?  105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.919 -19.036 -26.271 1.00 9.64  ?  105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.825 -19.842 -26.954 1.00 9.90  ?  105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.770 -17.740 -26.727 1.00 9.92  ?  105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.561 -19.360 -28.034 1.00 11.09 ?  105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.497 -17.280 -27.807 1.00 10.96 ?  105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.388 -18.079 -28.446 1.00 11.07 ?  105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.146 -19.762 -23.711 1.00 8.12  ?  106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.461 -19.839 -22.399 1.00 8.73  ?  106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.604 -18.475 -21.728 1.00 7.75  ?  106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.885 -17.554 -22.035 1.00 8.99  ?  106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.995 -20.290 -22.545 1.00 9.16  ?  106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.875 -21.653 -23.168 1.00 8.84  ?  106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.788 -22.850 -22.518 1.00 10.29 ?  106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.932 -21.983 -24.584 1.00 9.56  ?  106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.837 -23.891 -23.433 1.00 10.36 ?  106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.915 -23.383 -24.695 1.00 10.37 ?  106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -26.006 -21.239 -25.759 1.00 9.91  ?  106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.959 -24.042 -25.940 1.00 10.99 ?  106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.047 -21.912 -26.974 1.00 11.04 ?  106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.071 -23.270 -27.050 1.00 11.73 ?  106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.612 -18.374 -20.837 1.00 8.69  ?  107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.141 -17.081 -20.347 1.00 8.89  ?  107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.453 -17.158 -18.849 1.00 8.66  ?  107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.725 -18.219 -18.310 1.00 8.97  ?  107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.395 -16.646 -21.123 1.00 9.43  ?  107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.455 -17.545 -20.899 1.00 10.15 ?  107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.095 -16.431 -22.602 1.00 9.59  ?  107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.497 -15.974 -18.251 1.00 8.83  ?  108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.150 -15.741 -16.923 1.00 8.64  ?  108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.165 -14.626 -17.119 1.00 8.33  ?  108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.094 -13.842 -18.103 1.00 9.04  ?  108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.124 -15.431 -15.814 1.00 9.18  ?  108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.412 -14.098 -16.020 1.00 9.96  ?  108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.112 -16.585 -15.702 1.00 9.61  ?  108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.628 -13.595 -14.822 1.00 11.00 ?  108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.009 -14.465 -16.129 1.00 8.64  ?  109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.031 -13.409 -16.184 1.00 9.28  ?  109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.418 -12.923 -14.815 1.00 9.47  ?  109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.261 -13.629 -13.787 1.00 9.74  ?  109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.232 -13.810 -16.986 1.00 12.34 ?  109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.990 -14.959 -16.476 1.00 13.29 ?  109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.871 -14.976 -15.431 1.00 13.60 ?  109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.115 -16.215 -17.136 1.00 13.07 ?  109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.513 -16.178 -15.400 1.00 16.28 ?  109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.066 -16.970 -16.416 1.00 14.66 ?  109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.492 -16.760 -18.249 1.00 15.14 ?  109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.423 -18.262 -16.796 1.00 17.89 ?  109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.858 -18.019 -18.630 1.00 16.80 ?  109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.794 -18.743 -17.918 1.00 16.66 ?  109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.032 -11.733 -14.803 1.00 9.12  ?  110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.821 -11.201 -13.669 1.00 9.36  ?  110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.265 -11.151 -14.082 1.00 8.99  ?  110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.591 -10.660 -15.174 1.00 9.79  ?  110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.338 -9.802  -13.378 1.00 9.82  ?  110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.181 -9.020  -12.353 1.00 10.63 ?  110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.216 -9.696  -10.974 1.00 10.98 ?  110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.705 -7.591  -12.234 1.00 12.14 ?  110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.145 -11.620 -13.190 1.00 10.77 ?  111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.598 -11.609 -13.428 1.00 11.50 ?  111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.284 -11.636 -12.072 1.00 12.37 ?  111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.008 -12.527 -11.254 1.00 13.03 ?  111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -39.000 -12.848 -14.220 1.00 15.19 ?  111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.458 -13.050 -14.345 1.00 16.97 ?  111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.237 -14.052 -13.836 1.00 18.07 ?  111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.293 -12.217 -15.152 1.00 17.00 ?  111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.509 -13.867 -14.263 1.00 19.12 ?  111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.590 -12.759 -15.054 1.00 16.29 ?  111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.083 -11.081 -15.949 1.00 16.83 ?  111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.687 -12.211 -15.713 1.00 20.37 ?  111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.188 -10.502 -16.557 1.00 21.17 ?  111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.467 -11.062 -16.449 1.00 20.60 ?  111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.186 -10.669 -11.799 1.00 11.69 ?  112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.015 -10.669 -10.553 1.00 12.27 ?  112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.101 -10.853 -9.355  1.00 13.17 ?  112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.460 -11.676 -8.445  1.00 15.33 ?  112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.112 -11.706 -10.680 1.00 13.17 ?  112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.032 -11.366 -11.829 1.00 14.34 ?  112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.291 -12.185 -11.919 1.00 15.80 ?  112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.215 -11.850 -12.673 1.00 18.69 ?  112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.364 -13.263 -11.168 1.00 15.90 ?  112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.100 -10.048 -9.236  1.00 14.21 ?  113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.269 -9.937  -8.028  1.00 18.33 ?  113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.423 -11.191 -7.757  1.00 18.48 ?  113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.710 -11.166 -6.684  1.00 23.83 ?  113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.161 -9.681  -6.803  1.00 22.70 ?  113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.475 -8.862  -5.744  1.00 32.60 ?  113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.515 -8.135  -6.076  1.00 38.99 ?  113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -38.925 -8.952  -4.578  1.00 49.18 ?  113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.321 -12.134 -8.694  1.00 14.25 ?  114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.420 -13.320 -8.573  1.00 16.24 ?  114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.534 -13.432 -9.812  1.00 13.28 ?  114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.923 -13.097 -10.964 1.00 12.88 ?  114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.240 -14.547 -8.243  1.00 19.98 ?  114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.904 -15.039 -9.360  1.00 28.86 ?  114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.361 -13.972 -9.587  1.00 11.53 ?  115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.353 -14.257 -10.632 1.00 11.15 ?  115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.329 -15.746 -10.898 1.00 11.08 ?  115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.333 -16.554 -9.949  1.00 11.50 ?  115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.999 -13.733 -10.200 1.00 11.65 ?  115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.928 -12.231 -9.977  1.00 11.85 ?  115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.200 -11.674 -8.720  1.00 12.62 ?  115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.555 -11.364 -10.978 1.00 11.64 ?  115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.096 -10.309 -8.495  1.00 12.92 ?  115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.488 -9.999  -10.772 1.00 12.04 ?  115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.737 -9.472  -9.521  1.00 12.12 ?  115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.730 -8.119  -9.274  1.00 13.05 ?  115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.283 -16.136 -12.174 0.25 10.82 ?  116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.358 -16.133 -12.180 0.25 11.01 ?  116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.295 -17.567 -12.566 0.25 10.88 ?  116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.326 -17.548 -12.626 0.25 11.15 ?  116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.378 -17.804 -13.764 0.25 9.64  ?  116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.248 -17.735 -13.703 0.25 9.63  ?  116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.290 -16.960 -14.638 0.25 9.39  ?  116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.870 -16.757 -14.412 0.25 8.68  ?  116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.708 -18.034 -12.888 0.25 12.07 ?  116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.684 -17.995 -13.164 0.25 12.84 ?  116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.679 -17.900 -11.718 0.25 13.94 ?  116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.828 -17.884 -12.161 0.25 15.63 ?  116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.101 -18.286 -12.086 0.25 15.04 ?  116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.978 -19.062 -11.207 0.25 16.73 ?  116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.539 -17.954 -13.208 0.25 18.14 ?  116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.500 -20.167 -11.536 0.25 20.82 ?  116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.774 -18.920 -11.239 0.25 16.40 ?  116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.610 -18.886 -10.157 0.25 21.41 ?  116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.740 -18.971 -13.797 1.00 9.74  ?  117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.974 -19.420 -14.977 1.00 9.93  ?  117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.906 -20.155 -15.920 1.00 10.07 ?  117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.753 -20.954 -15.500 1.00 9.99  ?  117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.807 -20.317 -14.607 1.00 10.12 ?  117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.732 -19.897 -17.233 1.00 10.20 ?  118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.541 -20.497 -18.292 1.00 11.50 ?  118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.140 -21.910 -18.609 1.00 11.27 ?  118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.845 -22.266 -19.731 1.00 13.95 ?  118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.103 -22.807 -17.643 1.00 13.12 ?  119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.100 -24.261 -17.843 1.00 14.73 ?  119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.529 -24.729 -18.093 1.00 14.97 ?  119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.464 -23.930 -17.920 1.00 17.07 ?  119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.498 -24.873 -16.597 1.00 12.88 ?  119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.215 -24.426 -15.421 1.00 12.57 ?  119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.070 -24.505 -16.394 1.00 14.39 ?  119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.707 -26.011 -18.422 1.00 18.66 ?  120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.054 -26.588 -18.572 1.00 21.55 ?  120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.205 -27.783 -17.631 1.00 23.12 ?  120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.540 -28.803 -17.794 1.00 24.31 ?  120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.381 -26.917 -20.027 1.00 25.77 ?  120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.714 -27.424 -20.145 1.00 30.03 ?  120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -35.988 -27.645 -16.541 1.00 20.41 ?  121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.677 -26.413 -16.178 1.00 20.71 ?  121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.716 -25.381 -15.547 1.00 17.26 ?  121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.582 -25.705 -15.251 1.00 15.32 ?  121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.708 -26.876 -15.154 1.00 23.58 ?  121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -36.994 -27.981 -14.440 1.00 22.97 ?  121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.190 -28.695 -15.518 1.00 22.56 ?  121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.188 -24.166 -15.324 1.00 15.96 ?  122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.335 -23.050 -14.865 1.00 14.86 ?  122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.794 -23.316 -13.455 1.00 12.13 ?  122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.439 -24.051 -12.672 1.00 14.05 ?  122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.061 -21.706 -14.967 1.00 18.59 ?  122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.159 -21.508 -13.951 1.00 25.75 ?  122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.508 -21.386 -14.608 1.00 35.77 ?  122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.766 -21.984 -15.653 1.00 45.67 ?  122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.390 -20.639 -13.966 1.00 42.09 ?  122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.685 -22.713 -13.148 1.00 10.72 ?  123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.984 -22.878 -11.863 1.00 11.01 ?  123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.976 -21.573 -11.088 1.00 10.92 ?  123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.525 -20.550 -11.586 1.00 12.00 ?  123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.550 -23.375 -12.102 1.00 11.06 ?  123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.569 -24.591 -12.834 1.00 12.28 ?  123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.786 -23.548 -10.810 1.00 12.00 ?  123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.381 -21.636 -9.829  1.00 11.61 ?  124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.342 -20.492 -8.906  1.00 12.93 ?  124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.917 -20.007 -8.672  1.00 12.17 ?  124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -31.006 -20.876 -8.393  1.00 13.91 ?  124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.984 -20.960 -7.585  1.00 16.25 ?  124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.351 -21.253 -7.861  1.00 18.25 ?  124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.781 -19.956 -6.475  1.00 18.11 ?  124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.636 -18.728 -8.766  1.00 11.23 ?  125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.353 -18.128 -8.445  1.00 10.64 ?  125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.437 -17.513 -7.053  1.00 11.97 ?  125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.566 -17.260 -6.525  1.00 15.51 ?  125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.943 -17.062 -9.463  1.00 10.56 ?  125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.850 -17.586 -10.891 1.00 10.03 ?  125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.605 -16.458 -11.887 1.00 11.10 ?  125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.785 -18.668 -11.032 1.00 10.91 ?  125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.321 -17.403 -6.379  1.00 11.62 ?  126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.205 -16.935 -4.962  1.00 12.18 ?  126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.370 -15.667 -4.996  1.00 14.13 ?  126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.121 -15.713 -5.103  1.00 18.14 ?  126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.529 -18.037 -4.104  1.00 13.10 ?  126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.296 -19.309 -4.062  1.00 13.42 ?  126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.980 -20.389 -4.891  1.00 14.99 ?  126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.339 -19.694 -3.340  1.00 15.30 ?  126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.829 -21.360 -4.668  1.00 15.72 ?  126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.674 -20.987 -3.721  1.00 15.20 ?  126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -29.012 -14.526 -5.065  1.00 16.07 ?  127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.336 -13.208 -5.193  1.00 18.53 ?  127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.767 -12.345 -3.975  1.00 18.53 ?  127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.963 -12.123 -3.756  1.00 25.31 ?  127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.698 -12.577 -6.554  1.00 18.95 ?  127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.143 -13.406 -7.734  1.00 18.19 ?  127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.295 -11.105 -6.548  1.00 23.07 ?  127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.398 -12.831 -9.116  1.00 18.84 ?  127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.813 -12.011 -3.135  1.00 21.23 ?  128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -28.023 -11.196 -1.905  1.00 23.16 ?  128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.989 -9.711  -2.271  1.00 21.70 ?  128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.746 -8.929  -1.643  1.00 21.80 ?  128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.908 -11.520 -0.904  1.00 26.35 ?  128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -27.008 -10.780 0.431   1.00 33.77 ?  128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.288 -11.064 1.189   1.00 39.25 ?  128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.880 -12.138 1.078   1.00 48.47 ?  128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.738 -10.089 1.968   1.00 42.86 ?  128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.181 -9.337  -3.258  1.00 19.14 ?  129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.960 -7.915  -3.667  1.00 17.71 ?  129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.515 -7.728  -5.073  1.00 17.19 ?  129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.873 -8.191  -6.024  1.00 15.49 ?  129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.479 -7.535  -3.619  1.00 19.24 ?  129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.247 -6.105  -4.124  1.00 20.55 ?  129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.919 -7.704  -2.209  1.00 21.46 ?  129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.743 -7.204  -5.269  1.00 15.17 ?  130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.280 -7.081  -6.629  1.00 15.83 ?  130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.297 -6.386  -7.533  1.00 14.91 ?  130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.771 -5.332  -7.246  1.00 15.70 ?  130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.554 -6.240  -6.411  1.00 18.71 ?  130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.983 -6.668  -5.000  1.00 19.00 ?  130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.693 -6.719  -4.242  1.00 17.79 ?  130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.909 -7.009  -8.666  1.00 13.26 ?  131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.912 -6.409  -9.523  1.00 12.75 ?  131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.414 -5.205  -10.312 1.00 12.72 ?  131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.522 -5.263  -10.852 1.00 13.43 ?  131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.478 -7.567  -10.444 1.00 13.81 ?  131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.633 -8.504  -10.419 1.00 15.64 ?  131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.237 -8.399  -9.043  1.00 14.15 ?  131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.547 -4.217  -10.434 1.00 12.37 ?  132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.725 -3.105  -11.400 1.00 12.62 ?  132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.946 -3.357  -12.687 1.00 12.47 ?  132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.257 -2.770  -13.717 1.00 12.01 ?  132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.339 -1.772  -10.790 1.00 14.88 ?  132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.366 -1.322  -9.367  1.00 22.55 ?  132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.850 -4.133  -12.640 0.33 11.94 ?  133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.986 -4.275  -12.604 0.32 12.89 ?  133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.135 -4.575  -13.872 0.33 12.36 ?  133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.105 -4.618  -13.737 0.32 14.10 ?  133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.750 -6.054  -13.740 0.33 11.42 ?  133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.869 -6.130  -13.691 0.32 12.47 ?  133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.314 -6.487  -12.637 0.33 10.65 ?  133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.790 -6.700  -12.581 0.32 11.42 ?  133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.856 -3.794  -14.208 0.33 13.10 ?  133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.833 -3.775  -13.669 0.32 16.78 ?  133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.000 -2.282  -14.374 0.33 14.29 ?  133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.080 -2.277  -13.769 0.32 18.78 ?  133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.943 -1.543  -13.058 0.33 16.03 ?  133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.851 -1.484  -14.140 0.32 21.88 ?  133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.206 -1.920  -12.151 0.33 17.09 ?  133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.775 -2.028  -14.374 0.32 26.16 ?  133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.733 -0.483  -12.934 0.33 16.41 ?  133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -22.006 -0.174  -14.180 0.32 24.34 ?  133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.913 -6.761  -14.863 1.00 11.94 ?  134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.712 -8.222  -15.022 1.00 11.54 ?  134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.491 -8.384  -15.930 1.00 11.35 ?  134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.425 -7.782  -17.024 1.00 11.05 ?  134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.958 -8.859  -15.665 1.00 12.26 ?  134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.269 -8.686  -14.863 1.00 14.65 ?  134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.686 -10.350 -15.954 1.00 12.94 ?  134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.262 -9.428  -13.602 1.00 14.52 ?  134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.551 -9.262  -15.540 1.00 11.02 ?  135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.463 -9.723  -16.409 1.00 10.69 ?  135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.784 -11.070 -17.008 1.00 10.45 ?  135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.298 -11.938 -16.322 1.00 10.82 ?  135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.466 -11.243 -18.292 1.00 10.93 ?  136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.734 -12.494 -19.056 1.00 10.41 ?  136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.426 -12.990 -19.645 1.00 10.95 ?  136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.744 -12.229 -20.346 1.00 11.16 ?  136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.783 -12.250 -20.154 1.00 11.01 ?  136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.079 -11.736 -19.534 1.00 11.91 ?  136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.057 -13.533 -20.937 1.00 12.41 ?  136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.099 -11.315 -20.500 1.00 15.04 ?  136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.056 -14.197 -19.276 1.00 10.71 ?  137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.825 -14.861 -19.764 1.00 10.11 ?  137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.206 -16.093 -20.558 1.00 9.91  ?  137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.958 -16.927 -20.088 1.00 10.65 ?  137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.954 -15.253 -18.577 1.00 11.60 ?  137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.705 -16.004 -18.933 1.00 13.22 ?  137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.704 -15.374 -19.623 1.00 14.27 ?  137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.530 -17.328 -18.598 1.00 15.57 ?  137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.542 -16.065 -19.975 1.00 16.48 ?  137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.379 -18.022 -18.956 1.00 17.22 ?  137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.398 -17.376 -19.637 1.00 16.20 ?  137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.606 -16.212 -21.745 1.00 10.29 ?  138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.757 -17.391 -22.621 1.00 10.89 ?  138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.373 -17.983 -22.908 1.00 10.32 ?  138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.496 -17.281 -23.388 1.00 11.77 ?  138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.499 -17.036 -23.909 1.00 11.03 ?  138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.634 -18.269 -24.792 1.00 12.99 ?  138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.868 -16.418 -23.620 1.00 12.66 ?  138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.255 -19.259 -22.608 1.00 10.21 ?  139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.070 -20.048 -23.054 1.00 11.68 ?  139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.569 -21.065 -24.063 1.00 10.47 ?  139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.171 -22.073 -23.711 1.00 10.63 ?  139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.337 -20.666 -21.877 1.00 13.05 ?  139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.072 -21.453 -22.236 1.00 14.55 ?  139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.945 -21.904 -23.396 1.00 14.81 ?  139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.257 -21.606 -21.286 1.00 18.92 ?  139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.343 -20.773 -25.344 1.00 10.76 ?  140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.934 -21.604 -26.410 1.00 11.22 ?  140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.412 -23.047 -26.341 1.00 12.21 ?  140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.150 -23.997 -26.344 1.00 13.03 ?  140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.684 -20.963 -27.783 1.00 11.31 ?  140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.600 -21.576 -28.823 1.00 11.60 ?  140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.399 -22.843 -29.353 1.00 12.57 ?  140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.741 -20.898 -29.247 1.00 11.72 ?  140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.286 -23.428 -30.234 1.00 11.93 ?  140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.644 -21.478 -30.130 1.00 12.62 ?  140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.435 -22.746 -30.639 1.00 11.35 ?  140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.326 -23.328 -31.498 1.00 12.46 ?  140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.101 -23.171 -26.223 1.00 13.40 ?  141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.456 -24.516 -26.267 1.00 14.17 ?  141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.872 -25.344 -25.062 1.00 14.20 ?  141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.241 -26.519 -25.214 1.00 16.48 ?  141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.936 -24.417 -26.345 1.00 16.09 ?  141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.477 -24.244 -27.797 1.00 23.85 ?  141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.853 -22.929 -28.386 1.00 26.62 ?  141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.133 -22.884 -29.529 1.00 23.65 ?  141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.874 -21.934 -27.637 1.00 28.64 ?  141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.937 -24.734 -23.883 1.00 12.62 ?  142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.290 -25.459 -22.654 1.00 13.57 ?  142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.791 -25.746 -22.579 1.00 13.94 ?  142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.202 -26.601 -21.804 1.00 16.07 ?  142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.864 -24.668 -21.445 1.00 14.97 ?  142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.637 -25.073 -23.352 1.00 11.96 ?  143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.098 -25.191 -23.255 1.00 11.19 ?  143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.664 -24.587 -21.961 1.00 9.88  ?  143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.431 -25.268 -21.275 1.00 11.38 ?  143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.242 -23.368 -21.664 1.00 10.52 ?  144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.648 -22.658 -20.410 1.00 11.14 ?  144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.246 -21.305 -20.757 1.00 9.81  ?  144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.666 -20.529 -21.513 1.00 10.76 ?  144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.420 -22.492 -19.497 1.00 11.77 ?  144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.693 -21.537 -18.324 1.00 12.32 ?  144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.934 -23.862 -19.011 1.00 13.27 ?  144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.328 -21.004 -20.050 1.00 10.05 ?  145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.896 -19.624 -19.982 1.00 9.89  ?  145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.118 -19.249 -18.504 1.00 8.91  ?  145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.875 -19.980 -17.846 1.00 9.93  ?  145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.208 -19.502 -20.764 1.00 9.61  ?  145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.706 -18.058 -20.750 1.00 9.91  ?  145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.088 -20.049 -22.178 1.00 9.35  ?  145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.450 -18.226 -18.047 1.00 9.05  ?  146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.564 -17.808 -16.638 1.00 10.12 ?  146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.020 -16.357 -16.534 1.00 9.50  ?  146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.719 -15.540 -17.384 1.00 10.15 ?  146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.236 -17.979 -15.891 1.00 10.15 ?  146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.861 -19.360 -15.805 1.00 11.29 ?  146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.712 -16.097 -15.434 1.00 9.08  ?  147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.322 -14.807 -15.111 1.00 9.65  ?  147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.798 -14.328 -13.773 1.00 9.85  ?  147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.811 -15.120 -12.792 1.00 9.88  ?  147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.866 -14.888 -15.100 1.00 9.49  ?  147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.462 -15.312 -16.427 1.00 9.25  ?  147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.496 -16.629 -16.851 1.00 9.38  ?  147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.967 -14.348 -17.290 1.00 9.16  ?  147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -25.020 -16.978 -18.095 1.00 9.39  ?  147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.474 -14.698 -18.540 1.00 9.50  ?  147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.532 -16.014 -18.940 1.00 9.18  ?  147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.497 -13.043 -13.686 1.00 9.76  ?  148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.842 -12.418 -12.514 1.00 11.28 ?  148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.611 -11.171 -12.102 1.00 11.34 ?  148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.084 -10.354 -12.928 1.00 11.42 ?  148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.370 -12.117 -12.766 1.00 11.74 ?  148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.536 -13.339 -13.059 1.00 12.45 ?  148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.035 -14.129 -12.040 1.00 12.98 ?  148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.368 -13.804 -14.365 1.00 12.98 ?  148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.401 -15.337 -12.293 1.00 13.08 ?  148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.690 -14.984 -14.643 1.00 13.59 ?  148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.177 -15.737 -13.602 1.00 14.01 ?  148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.513 -16.921 -13.876 1.00 15.25 ?  148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.669 -10.943 -10.790 1.00 12.80 ?  149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.369 -9.797  -10.150 1.00 12.16 ?  149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.346 -8.684  -9.982  1.00 11.72 ?  149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.566 -8.701  -8.962  1.00 14.33 ?  149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -23.006 -10.225 -8.841  1.00 13.01 ?  149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.823 -9.110  -8.197  1.00 12.65 ?  149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.630 -7.950  -8.537  1.00 14.56 ?  149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.682 -9.509  -7.328  1.00 14.00 ?  149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.263 -7.718  -10.885 1.00 13.53 ?  150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.210 -6.685  -10.823 1.00 14.50 ?  150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.467 -5.791  -9.596  1.00 15.69 ?  150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.468 -5.318  -8.977  1.00 17.85 ?  150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.164 -5.875  -12.131 1.00 15.27 ?  150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.973 -6.770  -13.363 1.00 16.05 ?  150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.133 -4.750  -12.084 1.00 17.93 ?  150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.893 -7.798  -13.196 1.00 20.99 ?  150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.699 -5.575  -9.201  1.00 14.79 ?  151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.070 -4.713  -8.037  1.00 15.94 ?  151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.510 -5.370  -6.778  1.00 18.14 ?  151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.080 -4.621  -5.876  1.00 22.15 ?  151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.599 -4.567  -7.985  1.00 15.16 ?  151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.038 -4.094  -9.253  1.00 15.31 ?  151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.008 -3.615  -6.879  1.00 16.46 ?  151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.455 -6.694  -6.684  1.00 17.24 ?  152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.929 -7.433  -5.501  1.00 17.75 ?  152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.502 -7.941  -5.765  1.00 17.85 ?  152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.304 -9.133  -5.602  1.00 19.85 ?  152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.946 -8.480  -5.125  1.00 17.53 ?  152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.591 -9.271  -3.896  1.00 21.99 ?  152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.153 -8.629  -2.916  1.00 24.29 ?  152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.802 -10.488 -3.934  1.00 22.52 ?  152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.590 -7.105  -6.223  1.00 20.93 ?  153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.139 -7.418  -6.332  1.00 23.76 ?  153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.968 -8.660  -7.210  1.00 22.27 ?  153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -16.080 -9.473  -6.950  1.00 24.93 ?  153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.480 -7.697  -4.972  1.00 28.59 ?  153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.823 -6.771  -3.848  1.00 37.96 ?  153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.443 -5.440  -3.837  1.00 46.18 ?  153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.469 -6.998  -2.681  1.00 42.53 ?  153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.867 -4.873  -2.721  1.00 48.86 ?  153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.490 -5.815  -1.985  1.00 45.69 ?  153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.805 -8.826  -8.235  1.00 18.63 ?  154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.586 -9.876  -9.249  1.00 16.30 ?  154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.994 -11.239 -8.764  1.00 14.89 ?  154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.501 -12.165 -9.367  1.00 15.67 ?  154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.832 -11.377 -7.769  1.00 14.22 ?  155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.197 -12.710 -7.253  1.00 12.95 ?  155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.888 -13.546 -8.342  1.00 12.74 ?  155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.701 -13.015 -9.175  1.00 12.97 ?  155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.038 -12.607 -6.021  1.00 14.45 ?  155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.241 -11.866 -6.225  1.00 15.24 ?  155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.707 -14.836 -8.336  1.00 11.54 ?  156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.328 -15.742 -9.320  1.00 11.32 ?  156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.819 -15.807 -9.077  1.00 10.77 ?  156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.335 -16.026 -7.963  1.00 11.46 ?  156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.711 -17.138 -9.166  1.00 11.16 ?  156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.283 -18.196 -10.130 1.00 11.21 ?  156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.880 -17.913 -11.568 1.00 11.60 ?  156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.724 -19.587 -9.752  1.00 12.35 ?  156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.583 -15.656 -10.172 1.00 10.46 ?  157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.037 -15.857 -10.211 1.00 10.03 ?  157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.378 -17.266 -10.678 1.00 9.66  ?  157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.176 -17.980 -10.076 1.00 9.69  ?  157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.726 -14.781 -11.082 1.00 10.43 ?  157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.584 -13.404 -10.477 1.00 11.42 ?  157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.190 -15.137 -11.294 1.00 11.10 ?  157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.995 -12.293 -11.427 1.00 11.54 ?  157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.816 -17.709 -11.822 1.00 9.43  ?  158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.199 -19.018 -12.402 1.00 9.23  ?  158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.174 -19.423 -13.447 1.00 9.39  ?  158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.669 -18.543 -14.186 1.00 9.79  ?  158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.578 -18.953 -13.109 1.00 9.80  ?  158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.120 -20.304 -13.442 1.00 9.06  ?  158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.726 -21.125 -12.501 1.00 9.66  ?  158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.975 -20.831 -14.728 1.00 9.52  ?  158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.170 -22.383 -12.806 1.00 10.38 ?  158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.432 -22.083 -15.047 1.00 10.44 ?  158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.982 -22.887 -14.080 1.00 9.70  ?  158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.390 -24.158 -14.367 1.00 12.26 ?  158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.884 -20.730 -13.531 1.00 8.89  ?  159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.063 -21.324 -14.613 1.00 9.47  ?  159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.822 -22.434 -15.297 1.00 9.33  ?  159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.212 -23.405 -14.679 1.00 10.08 ?  159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.719 -21.860 -14.078 1.00 10.09 ?  159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.953 -20.738 -13.646 1.00 10.62 ?  159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.965 -22.683 -15.111 1.00 11.25 ?  159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.050 -22.246 -16.610 1.00 9.52  ?  160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.415 -23.350 -17.515 1.00 9.45  ?  160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.104 -24.035 -17.959 1.00 9.95  ?  160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.238 -23.397 -18.522 1.00 10.11 ?  160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.092 -22.846 -18.790 1.00 10.05 ?  160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.472 -22.239 -18.628 1.00 8.86  ?  160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.656 -20.899 -18.369 1.00 8.53  ?  160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.582 -23.010 -18.842 1.00 9.32  ?  160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.940 -20.368 -18.310 1.00 9.28  ?  160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.871 -22.470 -18.770 1.00 9.72  ?  160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -28.030 -21.142 -18.495 1.00 8.85  ?  160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -22.010 -25.326 -17.641 1.00 10.97 ?  161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.849 -26.107 -18.110 1.00 11.37 ?  161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.371 -27.252 -18.948 1.00 10.61 ?  161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.546 -27.523 -19.042 1.00 12.70 ?  161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.033 -26.562 -16.946 1.00 11.80 ?  161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.752 -27.478 -16.175 1.00 16.32 ?  161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.430 -27.918 -19.651 1.00 12.78 ?  162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.767 -28.997 -20.619 1.00 14.44 ?  162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.716 -28.443 -21.679 1.00 12.90 ?  162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.616 -29.174 -22.161 1.00 14.53 ?  162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.369 -30.213 -19.913 1.00 16.82 ?  162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.645 -30.712 -18.668 1.00 21.88 ?  162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.257 -32.018 -18.222 1.00 30.95 ?  162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.388 -31.995 -17.662 1.00 34.42 ?  162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.686 -33.060 -18.589 1.00 38.24 ?  162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.488 -27.203 -22.067 1.00 12.04 ?  163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.349 -26.590 -23.095 1.00 11.82 ?  163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.083 -27.232 -24.459 1.00 12.19 ?  163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.894 -27.448 -24.811 1.00 13.62 ?  163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.149 -25.076 -23.218 1.00 11.21 ?  163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.593 -24.137 -21.737 1.00 11.54 ?  163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.139 -27.452 -25.204 1.00 11.99 ?  164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.001 -27.982 -26.583 1.00 12.31 ?  164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.484 -26.846 -27.484 1.00 11.25 ?  164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.670 -26.780 -27.844 1.00 13.02 ?  164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.727 -29.338 -26.731 1.00 14.63 ?  164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.621 -29.812 -28.189 1.00 15.05 ?  164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.183 -30.383 -25.746 1.00 16.26 ?  164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.616 -25.918 -27.816 1.00 10.98 ?  165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.980 -24.693 -28.555 1.00 11.87 ?  165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.532 -25.046 -29.924 1.00 11.79 ?  165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.533 -24.450 -30.363 1.00 13.28 ?  165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.818 -23.717 -28.592 1.00 11.50 ?  165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.352 -23.199 -27.246 1.00 10.76 ?  165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.291 -22.688 -26.338 1.00 10.56 ?  165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -20.024 -23.191 -26.878 1.00 11.95 ?  165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.896 -22.228 -25.082 1.00 10.70 ?  165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.621 -22.738 -25.631 1.00 11.61 ?  165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.556 -22.236 -24.744 1.00 11.54 ?  165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.824 -25.916 -30.672 1.00 11.84 ?  166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.282 -26.495 -31.955 1.00 12.37 ?  166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.445 -25.420 -33.015 1.00 11.49 ?  166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.247 -25.631 -33.986 1.00 13.38 ?  166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.503 -27.298 -31.765 1.00 12.96 ?  166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.694 -24.368 -32.952 1.00 12.09 ?  167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.726 -23.274 -33.937 1.00 12.40 ?  167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.994 -22.052 -33.453 1.00 11.34 ?  167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.565 -22.025 -32.265 1.00 12.23 ?  167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.850 -21.031 -34.286 1.00 10.56 ?  168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.378 -19.737 -33.827 1.00 11.25 ?  168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.321 -19.174 -32.741 1.00 10.86 ?  168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.536 -19.404 -32.845 1.00 11.15 ?  168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.382 -18.826 -35.068 1.00 11.43 ?  168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.477 -19.841 -36.229 1.00 12.39 ?  168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.255 -20.985 -35.701 1.00 11.32 ?  168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.760 -18.388 -31.843 1.00 10.34 ?  169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.533 -17.744 -30.745 1.00 10.12 ?  169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.626 -16.254 -30.999 1.00 10.65 ?  169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.693 -15.622 -31.487 1.00 11.97 ?  169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.833 -18.000 -29.406 1.00 11.29 ?  169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.876 -19.419 -28.847 1.00 12.35 ?  169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.040 -19.486 -27.587 1.00 12.14 ?  169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.287 -19.898 -28.629 1.00 12.65 ?  169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.761 -15.682 -30.587 1.00 9.66  ?  170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.974 -14.224 -30.593 1.00 10.05 ?  170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.410 -13.734 -29.212 1.00 8.38  ?  170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.168 -14.420 -28.528 1.00 9.47  ?  170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.038 -13.858 -31.644 1.00 10.58 ?  170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.552 -14.208 -33.056 1.00 12.56 ?  170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.534 -13.824 -34.160 1.00 13.35 ?  170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.619 -12.391 -34.255 1.00 13.76 ?  170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.317 -11.764 -35.203 1.00 13.91 ?  170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.919 -12.452 -36.147 1.00 14.75 ?  170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.361 -10.458 -35.199 1.00 14.07 ?  170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.946 -12.565 -28.767 1.00 8.48  ?  171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.518 -11.967 -27.546 1.00 8.97  ?  171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.034 -11.795 -27.702 1.00 8.15  ?  171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.536 -11.453 -28.767 1.00 9.35  ?  171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.821 -10.623 -27.431 1.00 9.32  ?  171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.525 -10.783 -28.248 1.00 10.62 ?  171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.938 -11.694 -29.382 1.00 10.69 ?  171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.751 -12.079 -26.621 1.00 8.23  ?  172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.217 -12.109 -26.582 1.00 8.57  ?  172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.751 -11.172 -25.479 1.00 7.81  ?  172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.243 -11.157 -24.358 1.00 8.36  ?  172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.726 -13.530 -26.329 1.00 9.14  ?  172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.219 -13.602 -26.121 1.00 8.82  ?  172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.061 -13.612 -27.222 1.00 9.91  ?  172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.787 -13.662 -24.860 1.00 9.81  ?  172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.437 -13.650 -27.051 1.00 10.15 ?  172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.166 -13.663 -24.706 1.00 10.24 ?  172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.980 -13.666 -25.800 1.00 10.76 ?  172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.812 -10.427 -25.821 1.00 7.99  ?  173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.424 -9.420  -24.933 1.00 7.96  ?  173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.945 -9.462  -25.053 1.00 8.31  ?  173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.485 -9.525  -26.180 1.00 8.90  ?  173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.968 -8.005  -25.315 1.00 8.90  ?  173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.465 -7.854  -25.447 1.00 8.69  ?  173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.814 -8.134  -26.634 1.00 8.74  ?  173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.711 -7.364  -24.401 1.00 10.16 ?  173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.422 -8.054  -26.740 1.00 9.63  ?  173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.327 -7.258  -24.506 1.00 10.58 ?  173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.684 -7.574  -25.676 1.00 10.31 ?  173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.635 -9.256  -23.936 1.00 8.38  ?  174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.092 -8.998  -23.889 1.00 8.02  ?  174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.313 -7.866  -22.906 1.00 8.04  ?  174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.983 -8.022  -21.709 1.00 8.77  ?  174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.845 -10.248 -23.457 1.00 8.25  ?  174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.343 -10.054 -23.555 1.00 9.28  ?  174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.875 -8.993  -23.875 1.00 10.40 ?  174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.098 -11.112 -23.327 1.00 10.86 ?  174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.814 -6.722  -23.386 1.00 8.57  ?  175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.085 -5.585  -22.480 1.00 9.39  ?  175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.344 -5.807  -21.652 1.00 8.79  ?  175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.588 -5.009  -20.716 1.00 10.09 ?  175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.174 -4.227  -23.213 1.00 9.38  ?  175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.887 -3.863  -23.915 1.00 11.36 ?  175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.333 -4.180  -24.210 1.00 9.71  ?  175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.143 -6.811  -21.987 1.00 9.30  ?  176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.433 -7.057  -21.308 1.00 9.76  ?  176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.535 -6.094  -21.732 1.00 9.49  ?  176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.305 -5.055  -22.301 1.00 9.47  ?  176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.757 -6.551  -21.481 1.00 10.59 ?  177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.958 -5.709  -21.655 1.00 10.26 ?  177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -42.009 -4.626  -20.585 1.00 9.67  ?  177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.291 -4.694  -19.592 1.00 9.68  ?  177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.230 -6.559  -21.687 1.00 11.65 ?  177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.367 -7.417  -22.920 1.00 12.55 ?  177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.720 -6.891  -24.140 1.00 14.43 ?  177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.120 -8.774  -22.845 1.00 14.21 ?  177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.808 -7.724  -25.260 1.00 15.89 ?  177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.228 -9.598  -23.969 1.00 15.13 ?  177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.593 -9.062  -25.137 1.00 15.71 ?  177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.864 -3.637  -20.830 1.00 10.01 ?  178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.048 -2.544  -19.861 1.00 9.32  ?  178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.563 -2.392  -19.632 1.00 9.97  ?  178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.088 -1.259  -19.692 1.00 11.96 ?  178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.401 -1.249  -20.331 1.00 10.39 ?  178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.414 -0.190  -19.270 1.00 10.64 ?  178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.490 -0.455  -18.086 1.00 10.64 ?  178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.327 1.036   -19.750 1.00 11.87 ?  178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.241 -3.453  -19.279 1.00 10.18 ?  179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.681 -3.372  -18.887 1.00 10.12 ?  179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.827 -2.576  -17.603 1.00 10.27 ?  179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.908 -1.905  -17.403 1.00 11.42 ?  179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.270 -4.777  -18.706 1.00 10.61 ?  179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.331 -5.631  -19.938 1.00 13.23 ?  179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.260 -5.377  -20.935 1.00 17.77 ?  179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.504 -6.735  -20.068 1.00 15.16 ?  179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.294 -6.153  -22.089 1.00 18.60 ?  179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.551 -7.528  -21.215 1.00 16.29 ?  179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.427 -7.211  -22.211 1.00 18.12 ?  179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.526 -8.005  -23.332 1.00 24.45 ?  179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.889 -2.615  -16.667 1.00 10.08 ?  180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -46.010 -2.004  -15.334 1.00 11.44 ?  180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.713 -0.498  -15.368 1.00 11.26 ?  180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.052 0.201   -14.396 1.00 12.97 ?  180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.066 -2.628  -14.375 1.00 11.17 ?  180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.710 -2.334  -14.816 1.00 11.60 ?  180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.056 0.013   -16.398 1.00 10.22 ?  181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.508 1.372   -16.361 1.00 11.27 ?  181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.267 1.486   -15.525 1.00 11.52 ?  181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.752 2.619   -15.413 1.00 13.26 ?  181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.729 0.427   -14.952 1.00 10.85 ?  182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.521 0.447   -14.131 1.00 10.73 ?  182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.324 -0.192  -14.844 1.00 10.28 ?  182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.279 -0.286  -14.173 1.00 12.04 ?  182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.406 -0.589  -16.093 1.00 9.23  ?  183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.329 -1.312  -16.790 1.00 8.87  ?  183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.892 -0.587  -18.051 1.00 9.43  ?  183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.330 -1.261  -18.931 1.00 10.80 ?  183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.741 -2.740  -17.097 1.00 9.41  ?  183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.528 -3.615  -17.403 1.00 9.02  ?  183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.480 -3.421  -16.782 1.00 9.78  ?  183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.698 -4.532  -18.348 1.00 8.95  ?  183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.970 0.739   -18.127 1.00 9.67  ?  184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.569 1.482   -19.339 1.00 10.73 ?  184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.056 1.575   -19.480 1.00 10.45 ?  184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.595 1.870   -20.592 1.00 11.47 ?  184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.164 2.914   -19.333 1.00 11.67 ?  184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.308 1.420   -18.409 1.00 10.08 ?  185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.856 1.703   -18.469 1.00 10.53 ?  185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.142 0.838   -19.517 1.00 10.29 ?  185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.535 -0.305  -19.781 1.00 10.05 ?  185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.222 1.522   -17.120 1.00 10.89 ?  185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.064 1.341   -20.125 1.00 10.44 ?  186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.320 0.564   -21.129 1.00 10.42 ?  186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.401 -0.535  -20.565 1.00 9.64  ?  186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.043 -0.505  -19.407 1.00 10.72 ?  186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.445 1.662   -21.771 1.00 11.37 ?  186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.152 2.619   -20.642 1.00 13.03 ?  186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.504 2.695   -19.934 1.00 12.16 ?  186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.015 -1.467  -21.423 1.00 9.79  ?  187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.766 -2.255  -21.273 1.00 9.51  ?  187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.650 -1.449  -21.904 1.00 9.68  ?  187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.819 -0.947  -23.041 1.00 11.99 ?  187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.937 -3.600  -21.937 1.00 9.56  ?  187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.935 -4.548  -21.283 1.00 10.86 ?  187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.135 -5.820  -22.115 1.00 11.24 ?  187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.584 -4.951  -19.862 1.00 11.54 ?  187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.510 -1.378  -21.231 1.00 10.20 ?  188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.368 -0.623  -21.787 1.00 11.42 ?  188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.139 -1.507  -21.744 1.00 11.26 ?  188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.775 -2.040  -20.657 1.00 12.48 ?  188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.068 0.668   -21.021 1.00 12.84 ?  188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.222 1.632   -20.843 1.00 16.19 ?  188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.794 2.987   -20.231 1.00 19.79 ?  188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.926 3.893   -19.791 1.00 23.10 ?  188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.365 5.109   -19.143 1.00 29.86 ?  188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.390 -1.557  -22.815 1.00 11.09 ?  189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.064 -2.225  -22.826 1.00 11.22 ?  189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.078 -1.256  -22.188 1.00 12.96 ?  189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.884 -0.112  -22.719 1.00 16.27 ?  189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.683 -2.602  -24.256 1.00 12.33 ?  189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.433 -3.847  -24.739 1.00 14.07 ?  189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.653 -3.917  -26.258 1.00 16.85 ?  189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.799 -5.127  -24.179 1.00 12.69 ?  189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.407 -1.708  -21.137 1.00 14.68 ?  190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.486 -0.870  -20.317 1.00 17.90 ?  190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.131 -0.793  -20.980 1.00 19.89 ?  190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.646 -1.752  -21.549 1.00 21.03 ?  190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.192 -1.524  -18.982 1.00 19.78 ?  190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.625 -2.019  -18.028 1.00 21.31 ?  190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.440 0.357   -20.843 1.00 25.34 ?  191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.125 0.535   -21.432 1.00 29.65 ?  191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.137 -0.387  -20.717 1.00 29.03 ?  191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.298 -0.637  -19.525 1.00 30.42 ?  191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.839 2.035   -21.218 1.00 29.07 ?  191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.678 2.424   -20.029 1.00 29.02 ?  191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.909 1.549   -20.115 1.00 27.46 ?  191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.161 -0.866  -21.490 1.00 36.25 ?  192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.885 -1.490  -21.048 1.00 38.44 ?  192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.103 -0.494  -20.185 1.00 43.05 ?  192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.306 -0.910  -19.337 1.00 53.78 ?  192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.082 -1.857  -22.298 1.00 37.67 ?  192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.592 -3.410  -22.966 1.00 27.39 ?  201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.223 -3.148  -23.221 1.00 19.33 ?  201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.403 -4.002  -24.069 1.00 33.37 ?  201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.231 -3.324  -25.299 1.00 38.09 ?  201 EDO B O2  1 
HETATM 1571 C C4  . ZTQ C 3 .   ? -36.566 6.737   -19.522 0.65 30.21 ?  202 ZTQ B C4  1 
HETATM 1572 C C5  . ZTQ C 3 .   ? -35.654 6.177   -18.641 0.65 28.81 ?  202 ZTQ B C5  1 
HETATM 1573 C C6  . ZTQ C 3 .   ? -34.297 6.079   -18.952 0.65 27.10 ?  202 ZTQ B C6  1 
HETATM 1574 C C7  . ZTQ C 3 .   ? -33.303 5.511   -18.001 0.65 25.44 ?  202 ZTQ B C7  1 
HETATM 1575 C C8  . ZTQ C 3 .   ? -31.940 5.753   -18.182 0.65 24.40 ?  202 ZTQ B C8  1 
HETATM 1576 C C10 . ZTQ C 3 .   ? -31.385 4.497   -16.223 0.65 23.63 ?  202 ZTQ B C10 1 
HETATM 1577 C C13 . ZTQ C 3 .   ? -33.897 6.579   -20.193 0.65 28.72 ?  202 ZTQ B C13 1 
HETATM 1578 C C15 . ZTQ C 3 .   ? -35.941 9.845   -22.527 0.65 37.98 ?  202 ZTQ B C15 1 
HETATM 1579 C C1  . ZTQ C 3 .   ? -37.991 8.808   -23.497 0.65 36.77 ?  202 ZTQ B C1  1 
HETATM 1580 C C2  . ZTQ C 3 .   ? -36.697 8.507   -22.761 0.65 35.26 ?  202 ZTQ B C2  1 
HETATM 1581 O O1  . ZTQ C 3 .   ? -37.086 7.797   -21.585 0.65 34.28 ?  202 ZTQ B O1  1 
HETATM 1582 C C3  . ZTQ C 3 .   ? -36.140 7.228   -20.750 0.65 30.80 ?  202 ZTQ B C3  1 
HETATM 1583 C C9  . ZTQ C 3 .   ? -30.994 5.246   -17.306 0.65 25.21 ?  202 ZTQ B C9  1 
HETATM 1584 C C11 . ZTQ C 3 .   ? -32.725 4.284   -15.996 0.65 24.44 ?  202 ZTQ B C11 1 
HETATM 1585 C C12 . ZTQ C 3 .   ? -33.679 4.787   -16.871 0.65 22.84 ?  202 ZTQ B C12 1 
HETATM 1586 C C14 . ZTQ C 3 .   ? -34.795 7.147   -21.080 0.65 30.51 ?  202 ZTQ B C14 1 
HETATM 1587 O O2  . ZTQ C 3 .   ? -35.020 10.124  -23.331 0.65 37.79 ?  202 ZTQ B O2  1 
HETATM 1588 O O3  . ZTQ C 3 .   ? -36.314 10.592  -21.590 0.65 36.59 -1 202 ZTQ B O3  1 
HETATM 1589 C C1  . EDO D 2 .   ? -50.577 -16.881 -33.250 1.00 32.03 ?  203 EDO B C1  1 
HETATM 1590 O O1  . EDO D 2 .   ? -49.229 -16.433 -33.106 1.00 25.94 ?  203 EDO B O1  1 
HETATM 1591 C C2  . EDO D 2 .   ? -51.235 -17.089 -31.957 1.00 33.56 ?  203 EDO B C2  1 
HETATM 1592 O O2  . EDO D 2 .   ? -51.170 -15.931 -31.145 1.00 40.63 ?  203 EDO B O2  1 
HETATM 1593 S S   . SO4 E 4 .   ? -40.473 -24.611 -26.285 1.00 37.32 ?  204 SO4 B S   1 
HETATM 1594 O O1  . SO4 E 4 .   ? -39.719 -23.680 -27.067 1.00 24.37 ?  204 SO4 B O1  1 
HETATM 1595 O O2  . SO4 E 4 .   ? -41.404 -25.315 -27.123 1.00 43.41 ?  204 SO4 B O2  1 
HETATM 1596 O O3  . SO4 E 4 .   ? -39.571 -25.548 -25.659 1.00 42.43 ?  204 SO4 B O3  1 
HETATM 1597 O O4  . SO4 E 4 .   ? -41.214 -23.898 -25.259 1.00 39.79 ?  204 SO4 B O4  1 
HETATM 1598 O O   . HOH F 5 .   ? -38.583 -15.235 -11.587 1.00 27.47 ?  301 HOH B O   1 
HETATM 1599 O O   . HOH F 5 .   ? -22.688 -1.832  -9.805  1.00 24.31 ?  302 HOH B O   1 
HETATM 1600 O O   . HOH F 5 .   ? -40.958 -8.165  -3.521  1.00 47.34 ?  303 HOH B O   1 
HETATM 1601 O O   . HOH F 5 .   ? -26.884 -28.478 -27.884 1.00 18.62 ?  304 HOH B O   1 
HETATM 1602 O O   . HOH F 5 .   ? -40.114 -1.172  -9.830  1.00 27.75 ?  305 HOH B O   1 
HETATM 1603 O O   . HOH F 5 .   ? -45.614 3.703   -34.141 1.00 15.67 ?  306 HOH B O   1 
HETATM 1604 O O   . HOH F 5 .   ? -45.096 7.397   -24.576 1.00 38.14 ?  307 HOH B O   1 
HETATM 1605 O O   . HOH F 5 .   ? -18.724 -21.944 -35.802 1.00 15.54 ?  308 HOH B O   1 
HETATM 1606 O O   . HOH F 5 .   ? -29.651 -12.504 -37.850 1.00 19.80 ?  309 HOH B O   1 
HETATM 1607 O O   . HOH F 5 .   ? -26.227 3.461   -35.275 1.00 31.13 ?  310 HOH B O   1 
HETATM 1608 O O   . HOH F 5 .   ? -32.951 1.105   -33.542 1.00 19.97 ?  311 HOH B O   1 
HETATM 1609 O O   . HOH F 5 .   ? -38.065 2.811   -22.725 1.00 15.70 ?  312 HOH B O   1 
HETATM 1610 O O   . HOH F 5 .   ? -13.446 -23.535 -31.677 1.00 13.63 ?  313 HOH B O   1 
HETATM 1611 O O   . HOH F 5 .   ? -38.309 0.437   -11.864 1.00 34.39 ?  314 HOH B O   1 
HETATM 1612 O O   . HOH F 5 .   ? -15.625 -5.383  -13.640 1.00 28.81 ?  315 HOH B O   1 
HETATM 1613 O O   . HOH F 5 .   ? -12.680 -21.295 -18.704 1.00 26.21 ?  316 HOH B O   1 
HETATM 1614 O O   . HOH F 5 .   ? -35.714 -19.135 -30.513 1.00 35.14 ?  317 HOH B O   1 
HETATM 1615 O O   . HOH F 5 .   ? -24.585 -30.926 -22.012 1.00 31.42 ?  318 HOH B O   1 
HETATM 1616 O O   . HOH F 5 .   ? -47.235 1.355   -25.654 1.00 31.18 ?  319 HOH B O   1 
HETATM 1617 O O   . HOH F 5 .   ? -19.499 -29.707 -15.508 1.00 25.03 ?  320 HOH B O   1 
HETATM 1618 O O   . HOH F 5 .   ? -37.036 0.855   -15.543 1.00 14.58 ?  321 HOH B O   1 
HETATM 1619 O O   . HOH F 5 .   ? -45.529 0.114   -11.799 1.00 15.53 ?  322 HOH B O   1 
HETATM 1620 O O   . HOH F 5 .   ? -36.991 -16.411 -39.259 1.00 28.60 ?  323 HOH B O   1 
HETATM 1621 O O   . HOH F 5 .   ? -35.923 -22.542 -19.650 1.00 23.90 ?  324 HOH B O   1 
HETATM 1622 O O   . HOH F 5 .   ? -37.344 -25.504 -11.505 1.00 38.42 ?  325 HOH B O   1 
HETATM 1623 O O   . HOH F 5 .   ? -26.004 -22.643 -35.934 1.00 25.06 ?  326 HOH B O   1 
HETATM 1624 O O   . HOH F 5 .   ? -49.671 -1.625  -19.390 1.00 20.27 ?  327 HOH B O   1 
HETATM 1625 O O   . HOH F 5 .   ? -30.803 -6.695  -11.352 1.00 13.31 ?  328 HOH B O   1 
HETATM 1626 O O   . HOH F 5 .   ? -8.983  -13.507 -25.290 1.00 32.56 ?  329 HOH B O   1 
HETATM 1627 O O   . HOH F 5 .   ? -45.132 -12.308 -26.464 1.00 29.18 ?  330 HOH B O   1 
HETATM 1628 O O   . HOH F 5 .   ? -42.489 -11.143 -38.098 1.00 27.10 ?  331 HOH B O   1 
HETATM 1629 O O   . HOH F 5 .   ? -32.943 -18.164 -37.224 1.00 27.87 ?  332 HOH B O   1 
HETATM 1630 O O   . HOH F 5 .   ? -16.166 -19.540 -15.697 1.00 24.32 ?  333 HOH B O   1 
HETATM 1631 O O   . HOH F 5 .   ? -36.782 -26.002 -23.773 1.00 31.59 ?  334 HOH B O   1 
HETATM 1632 O O   . HOH F 5 .   ? -42.985 -15.351 -10.124 1.00 21.14 ?  335 HOH B O   1 
HETATM 1633 O O   . HOH F 5 .   ? -17.589 -21.359 -12.453 1.00 15.58 ?  336 HOH B O   1 
HETATM 1634 O O   . HOH F 5 .   ? -23.275 4.349   -24.737 1.00 24.42 ?  337 HOH B O   1 
HETATM 1635 O O   . HOH F 5 .   ? -18.562 -4.639  -24.752 1.00 17.33 ?  338 HOH B O   1 
HETATM 1636 O O   . HOH F 5 .   ? -38.791 -2.451  -21.342 1.00 13.07 ?  339 HOH B O   1 
HETATM 1637 O O   . HOH F 5 .   ? -30.841 -20.319 -21.363 1.00 11.15 ?  340 HOH B O   1 
HETATM 1638 O O   . HOH F 5 .   ? -38.526 -7.622  -10.765 1.00 13.66 ?  341 HOH B O   1 
HETATM 1639 O O   . HOH F 5 .   ? -40.296 -14.416 -31.381 1.00 14.32 ?  342 HOH B O   1 
HETATM 1640 O O   . HOH F 5 .   ? -9.491  -18.530 -30.287 1.00 40.14 ?  343 HOH B O   1 
HETATM 1641 O O   . HOH F 5 .   ? -26.524 -25.755 -16.411 1.00 15.39 ?  344 HOH B O   1 
HETATM 1642 O O   . HOH F 5 .   ? -45.686 -14.755 -27.490 1.00 33.04 ?  345 HOH B O   1 
HETATM 1643 O O   . HOH F 5 .   ? -17.887 -19.859 -37.563 1.00 23.26 ?  346 HOH B O   1 
HETATM 1644 O O   . HOH F 5 .   ? -41.045 -8.975  -36.585 1.00 31.88 ?  347 HOH B O   1 
HETATM 1645 O O   . HOH F 5 .   ? -21.243 -6.001  -2.129  1.00 43.37 ?  348 HOH B O   1 
HETATM 1646 O O   . HOH F 5 .   ? -16.755 -5.580  -9.332  1.00 30.70 ?  349 HOH B O   1 
HETATM 1647 O O   . HOH F 5 .   ? -45.050 -7.833  -38.988 1.00 13.13 ?  350 HOH B O   1 
HETATM 1648 O O   . HOH F 5 .   ? -23.859 1.221   -10.776 1.00 33.25 ?  351 HOH B O   1 
HETATM 1649 O O   . HOH F 5 .   ? -30.234 -23.880 -34.150 1.00 18.96 ?  352 HOH B O   1 
HETATM 1650 O O   . HOH F 5 .   ? -36.554 -23.050 -30.755 1.00 25.49 ?  353 HOH B O   1 
HETATM 1651 O O   . HOH F 5 .   ? -34.079 -21.986 -31.434 1.00 16.51 ?  354 HOH B O   1 
HETATM 1652 O O   . HOH F 5 .   ? -47.071 -17.074 -31.508 1.00 19.09 ?  355 HOH B O   1 
HETATM 1653 O O   . HOH F 5 .   ? -19.201 -29.230 -23.548 1.00 20.28 ?  356 HOH B O   1 
HETATM 1654 O O   . HOH F 5 .   ? -19.395 -4.351  -22.120 1.00 14.89 ?  357 HOH B O   1 
HETATM 1655 O O   . HOH F 5 .   ? -17.606 -27.639 -19.658 1.00 16.72 ?  358 HOH B O   1 
HETATM 1656 O O   . HOH F 5 .   ? -28.405 -21.641 -8.979  1.00 16.01 ?  359 HOH B O   1 
HETATM 1657 O O   . HOH F 5 .   ? -27.168 -20.290 -6.996  1.00 15.66 ?  360 HOH B O   1 
HETATM 1658 O O   . HOH F 5 .   ? -30.657 1.082   -17.115 1.00 21.39 ?  361 HOH B O   1 
HETATM 1659 O O   . HOH F 5 .   ? -40.756 -14.443 -8.490  1.00 27.52 ?  362 HOH B O   1 
HETATM 1660 O O   . HOH F 5 .   ? -36.239 -1.844  -33.757 1.00 14.96 ?  363 HOH B O   1 
HETATM 1661 O O   . HOH F 5 .   ? -38.483 3.794   -42.226 1.00 24.38 ?  364 HOH B O   1 
HETATM 1662 O O   . HOH F 5 .   ? -38.047 -14.388 -21.380 1.00 31.00 ?  365 HOH B O   1 
HETATM 1663 O O   . HOH F 5 .   ? -10.874 -21.192 -25.140 1.00 27.96 ?  366 HOH B O   1 
HETATM 1664 O O   . HOH F 5 .   ? -9.331  -20.783 -28.968 1.00 29.81 ?  367 HOH B O   1 
HETATM 1665 O O   . HOH F 5 .   ? -18.028 -4.385  -5.895  1.00 40.52 ?  368 HOH B O   1 
HETATM 1666 O O   . HOH F 5 .   ? -26.544 2.019   -11.054 1.00 26.46 ?  369 HOH B O   1 
HETATM 1667 O O   . HOH F 5 .   ? -42.511 -5.777  -12.215 1.00 17.14 ?  370 HOH B O   1 
HETATM 1668 O O   . HOH F 5 .   ? -26.758 -17.677 -7.778  1.00 14.69 ?  371 HOH B O   1 
HETATM 1669 O O   . HOH F 5 .   ? -33.886 -21.784 -36.683 1.00 35.44 ?  372 HOH B O   1 
HETATM 1670 O O   . HOH F 5 .   ? -36.513 -0.986  -22.090 1.00 12.44 ?  373 HOH B O   1 
HETATM 1671 O O   . HOH F 5 .   ? -20.944 -16.484 -5.544  1.00 15.46 ?  374 HOH B O   1 
HETATM 1672 O O   . HOH F 5 .   ? -42.338 -3.846  -39.488 1.00 20.31 ?  375 HOH B O   1 
HETATM 1673 O O   . HOH F 5 .   ? -23.323 2.293   -23.111 1.00 28.71 ?  376 HOH B O   1 
HETATM 1674 O O   . HOH F 5 .   ? -13.424 -20.994 -35.123 1.00 27.77 ?  377 HOH B O   1 
HETATM 1675 O O   . HOH F 5 .   ? -32.294 -4.978  -12.972 1.00 11.10 ?  378 HOH B O   1 
HETATM 1676 O O   . HOH F 5 .   ? -23.804 -21.002 -38.902 1.00 20.70 ?  379 HOH B O   1 
HETATM 1677 O O   . HOH F 5 .   ? -35.509 -17.107 -8.207  1.00 34.91 ?  380 HOH B O   1 
HETATM 1678 O O   . HOH F 5 .   ? -33.554 -1.833  -38.373 1.00 25.33 ?  381 HOH B O   1 
HETATM 1679 O O   . HOH F 5 .   ? -18.312 -17.351 -36.386 1.00 25.51 ?  382 HOH B O   1 
HETATM 1680 O O   . HOH F 5 .   ? -10.331 -23.624 -21.883 1.00 28.03 ?  383 HOH B O   1 
HETATM 1681 O O   . HOH F 5 .   ? -41.742 1.488   -22.553 1.00 29.91 ?  384 HOH B O   1 
HETATM 1682 O O   . HOH F 5 .   ? -43.744 -0.525  -24.257 1.00 24.71 ?  385 HOH B O   1 
HETATM 1683 O O   . HOH F 5 .   ? -27.810 -27.584 -25.791 1.00 29.12 ?  386 HOH B O   1 
HETATM 1684 O O   . HOH F 5 .   ? -25.874 -14.198 -3.005  1.00 26.63 ?  387 HOH B O   1 
HETATM 1685 O O   . HOH F 5 .   ? -19.751 1.770   -30.458 1.00 31.01 ?  388 HOH B O   1 
HETATM 1686 O O   . HOH F 5 .   ? -45.932 -4.243  -33.926 1.00 18.03 ?  389 HOH B O   1 
HETATM 1687 O O   . HOH F 5 .   ? -25.052 -11.069 -4.178  1.00 22.10 ?  390 HOH B O   1 
HETATM 1688 O O   . HOH F 5 .   ? -25.340 -10.477 -23.585 1.00 12.13 ?  391 HOH B O   1 
HETATM 1689 O O   . HOH F 5 .   ? -24.074 -12.367 -6.553  1.00 16.70 ?  392 HOH B O   1 
HETATM 1690 O O   . HOH F 5 .   ? -36.572 -0.280  -42.217 1.00 35.76 ?  393 HOH B O   1 
HETATM 1691 O O   . HOH F 5 .   ? -45.649 -19.750 -31.768 1.00 23.64 ?  394 HOH B O   1 
HETATM 1692 O O   . HOH F 5 .   ? -52.386 -14.169 -29.176 1.00 37.06 ?  395 HOH B O   1 
HETATM 1693 O O   . HOH F 5 .   ? -33.357 -14.927 -7.021  1.00 19.22 ?  396 HOH B O   1 
HETATM 1694 O O   . HOH F 5 .   ? -35.588 -4.646  -42.138 1.00 22.52 ?  397 HOH B O   1 
HETATM 1695 O O   . HOH F 5 .   ? -41.474 -8.504  -13.277 1.00 17.81 ?  398 HOH B O   1 
HETATM 1696 O O   . HOH F 5 .   ? -15.034 -19.771 -37.596 1.00 22.39 ?  399 HOH B O   1 
HETATM 1697 O O   . HOH F 5 .   ? -25.689 -27.018 -23.827 1.00 16.53 ?  400 HOH B O   1 
HETATM 1698 O O   . HOH F 5 .   ? -40.510 -7.468  -34.196 1.00 19.90 ?  401 HOH B O   1 
HETATM 1699 O O   . HOH F 5 .   ? -9.408  -15.911 -26.560 1.00 26.66 ?  402 HOH B O   1 
HETATM 1700 O O   . HOH F 5 .   ? -35.877 -3.691  -9.983  1.00 45.31 ?  403 HOH B O   1 
HETATM 1701 O O   . HOH F 5 .   ? -24.870 -15.006 -6.875  1.00 14.06 ?  404 HOH B O   1 
HETATM 1702 O O   . HOH F 5 .   ? -18.174 -16.057 -6.142  1.00 19.30 ?  405 HOH B O   1 
HETATM 1703 O O   . HOH F 5 .   ? -12.709 -18.420 -34.771 1.00 31.67 ?  406 HOH B O   1 
HETATM 1704 O O   . HOH F 5 .   ? -28.775 7.876   -30.102 1.00 30.96 ?  407 HOH B O   1 
HETATM 1705 O O   . HOH F 5 .   ? -41.036 -5.811  -38.086 1.00 30.86 ?  408 HOH B O   1 
HETATM 1706 O O   . HOH F 5 .   ? -13.255 -6.257  -29.210 1.00 30.33 ?  409 HOH B O   1 
HETATM 1707 O O   . HOH F 5 .   ? -31.503 3.465   -26.756 1.00 21.48 ?  410 HOH B O   1 
HETATM 1708 O O   . HOH F 5 .   ? -16.106 -14.708 -8.648  1.00 29.42 ?  411 HOH B O   1 
HETATM 1709 O O   . HOH F 5 .   ? -16.034 -12.081 -5.490  1.00 44.89 ?  412 HOH B O   1 
HETATM 1710 O O   . HOH F 5 .   ? -14.404 -16.431 -32.988 1.00 27.42 ?  413 HOH B O   1 
HETATM 1711 O O   . HOH F 5 .   ? -42.417 -5.008  -43.735 1.00 19.81 ?  414 HOH B O   1 
HETATM 1712 O O   . HOH F 5 .   ? -40.767 6.382   -33.099 1.00 26.02 ?  415 HOH B O   1 
HETATM 1713 O O   . HOH F 5 .   ? -40.002 -11.650 -22.823 1.00 30.79 ?  416 HOH B O   1 
HETATM 1714 O O   . HOH F 5 .   ? -17.971 -11.205 -35.697 1.00 24.29 ?  417 HOH B O   1 
HETATM 1715 O O   . HOH F 5 .   ? -34.620 -8.924  -6.103  1.00 37.80 ?  418 HOH B O   1 
HETATM 1716 O O   . HOH F 5 .   ? -31.009 4.075   -24.317 1.00 22.34 ?  419 HOH B O   1 
HETATM 1717 O O   . HOH F 5 .   ? -25.050 6.986   -29.005 1.00 28.06 ?  420 HOH B O   1 
HETATM 1718 O O   . HOH F 5 .   ? -34.316 -7.211  -7.992  1.00 25.67 ?  421 HOH B O   1 
HETATM 1719 O O   . HOH F 5 .   ? -41.315 5.318   -28.417 1.00 24.38 ?  422 HOH B O   1 
HETATM 1720 O O   . HOH F 5 .   ? -43.446 3.736   -18.850 1.00 19.95 ?  423 HOH B O   1 
HETATM 1721 O O   . HOH F 5 .   ? -41.132 -8.794  -19.412 1.00 12.59 ?  424 HOH B O   1 
HETATM 1722 O O   . HOH F 5 .   ? -19.802 2.209   -24.069 1.00 35.55 ?  425 HOH B O   1 
HETATM 1723 O O   . HOH F 5 .   ? -43.915 -9.039  -36.532 1.00 41.46 ?  426 HOH B O   1 
HETATM 1724 O O   . HOH F 5 .   ? -24.402 -4.436  -37.029 1.00 34.14 ?  427 HOH B O   1 
HETATM 1725 O O   . HOH F 5 .   ? -16.097 -7.416  -11.353 1.00 26.95 ?  428 HOH B O   1 
HETATM 1726 O O   . HOH F 5 .   ? -36.640 -6.605  -8.977  1.00 27.05 ?  429 HOH B O   1 
HETATM 1727 O O   . HOH F 5 .   ? -32.849 -23.538 -33.511 1.00 28.84 ?  430 HOH B O   1 
HETATM 1728 O O   . HOH F 5 .   ? -47.725 0.000   -32.864 0.50 21.90 ?  431 HOH B O   1 
HETATM 1729 O O   . HOH F 5 .   ? -30.916 -17.468 -42.704 1.00 33.83 ?  432 HOH B O   1 
HETATM 1730 O O   . HOH F 5 .   ? -8.437  -22.960 -30.354 1.00 26.58 ?  433 HOH B O   1 
HETATM 1731 O O   . HOH F 5 .   ? -21.671 6.876   -32.333 1.00 28.18 ?  434 HOH B O   1 
HETATM 1732 O O   . HOH F 5 .   ? -40.314 5.049   -22.015 1.00 33.96 ?  435 HOH B O   1 
HETATM 1733 O O   . HOH F 5 .   ? -26.276 -28.313 -21.483 1.00 35.22 ?  436 HOH B O   1 
HETATM 1734 O O   . HOH F 5 .   ? -38.815 -16.369 -40.949 1.00 43.95 ?  437 HOH B O   1 
HETATM 1735 O O   . HOH F 5 .   ? -22.816 3.460   -20.731 1.00 35.40 ?  438 HOH B O   1 
HETATM 1736 O O   . HOH F 5 .   ? -15.920 -22.225 -14.572 1.00 25.91 ?  439 HOH B O   1 
HETATM 1737 O O   . HOH F 5 .   ? -36.679 2.144   -43.219 1.00 37.01 ?  440 HOH B O   1 
HETATM 1738 O O   . HOH F 5 .   ? -28.289 -27.714 -16.898 1.00 21.32 ?  441 HOH B O   1 
HETATM 1739 O O   . HOH F 5 .   ? -26.329 -31.101 -23.955 1.00 24.92 ?  442 HOH B O   1 
HETATM 1740 O O   . HOH F 5 .   ? -16.122 -26.834 -17.244 1.00 30.19 ?  443 HOH B O   1 
HETATM 1741 O O   . HOH F 5 .   ? -42.246 -12.990 -22.429 1.00 30.40 ?  444 HOH B O   1 
# 
