data_7HOB
# 
_entry.id   7HOB 
# 
_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   7HOB         pdb_00007hob 10.2210/pdb7hob/pdb 
WWPDB D_1001407725 ?            ?                   
# 
_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                        7HOB 
_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   2024-11-05 
_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 
_audit_author.identifier_ORCID 
'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 of ground-state model' 
_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 'SULFATE ION'                        96.063    1   ?        ? ? ? 
4 water       nat water                                18.015    149 ?        ? ? ? 
# 
_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 'SULFATE ION'  SO4 
4 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 
# 
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 
# 
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 2 EDO 1   202 305 EDO EDO B . 
D 3 SO4 1   203 1   SO4 SO4 B . 
E 4 HOH 1   301 75  HOH HOH B . 
E 4 HOH 2   302 4   HOH HOH B . 
E 4 HOH 3   303 12  HOH HOH B . 
E 4 HOH 4   304 11  HOH HOH B . 
E 4 HOH 5   305 29  HOH HOH B . 
E 4 HOH 6   306 26  HOH HOH B . 
E 4 HOH 7   307 2   HOH HOH B . 
E 4 HOH 8   308 21  HOH HOH B . 
E 4 HOH 9   309 107 HOH HOH B . 
E 4 HOH 10  310 40  HOH HOH B . 
E 4 HOH 11  311 99  HOH HOH B . 
E 4 HOH 12  312 1   HOH HOH B . 
E 4 HOH 13  313 33  HOH HOH B . 
E 4 HOH 14  314 34  HOH HOH B . 
E 4 HOH 15  315 95  HOH HOH B . 
E 4 HOH 16  316 5   HOH HOH B . 
E 4 HOH 17  317 27  HOH HOH B . 
E 4 HOH 18  318 102 HOH HOH B . 
E 4 HOH 19  319 25  HOH HOH B . 
E 4 HOH 20  320 90  HOH HOH B . 
E 4 HOH 21  321 16  HOH HOH B . 
E 4 HOH 22  322 63  HOH HOH B . 
E 4 HOH 23  323 9   HOH HOH B . 
E 4 HOH 24  324 68  HOH HOH B . 
E 4 HOH 25  325 10  HOH HOH B . 
E 4 HOH 26  326 11  HOH HOH B . 
E 4 HOH 27  327 36  HOH HOH B . 
E 4 HOH 28  328 51  HOH HOH B . 
E 4 HOH 29  329 100 HOH HOH B . 
E 4 HOH 30  330 28  HOH HOH B . 
E 4 HOH 31  331 80  HOH HOH B . 
E 4 HOH 32  332 39  HOH HOH B . 
E 4 HOH 33  333 81  HOH HOH B . 
E 4 HOH 34  334 27  HOH HOH B . 
E 4 HOH 35  335 157 HOH HOH B . 
E 4 HOH 36  336 2   HOH HOH B . 
E 4 HOH 37  337 70  HOH HOH B . 
E 4 HOH 38  338 18  HOH HOH B . 
E 4 HOH 39  339 26  HOH HOH B . 
E 4 HOH 40  340 31  HOH HOH B . 
E 4 HOH 41  341 72  HOH HOH B . 
E 4 HOH 42  342 20  HOH HOH B . 
E 4 HOH 43  343 86  HOH HOH B . 
E 4 HOH 44  344 10  HOH HOH B . 
E 4 HOH 45  345 214 HOH HOH B . 
E 4 HOH 46  346 22  HOH HOH B . 
E 4 HOH 47  347 50  HOH HOH B . 
E 4 HOH 48  348 129 HOH HOH B . 
E 4 HOH 49  349 7   HOH HOH B . 
E 4 HOH 50  350 267 HOH HOH B . 
E 4 HOH 51  351 184 HOH HOH B . 
E 4 HOH 52  352 58  HOH HOH B . 
E 4 HOH 53  353 16  HOH HOH B . 
E 4 HOH 54  354 126 HOH HOH B . 
E 4 HOH 55  355 15  HOH HOH B . 
E 4 HOH 56  356 62  HOH HOH B . 
E 4 HOH 57  357 55  HOH HOH B . 
E 4 HOH 58  358 19  HOH HOH B . 
E 4 HOH 59  359 29  HOH HOH B . 
E 4 HOH 60  360 6   HOH HOH B . 
E 4 HOH 61  361 1   HOH HOH B . 
E 4 HOH 62  362 89  HOH HOH B . 
E 4 HOH 63  363 17  HOH HOH B . 
E 4 HOH 64  364 47  HOH HOH B . 
E 4 HOH 65  365 85  HOH HOH B . 
E 4 HOH 66  366 61  HOH HOH B . 
E 4 HOH 67  367 3   HOH HOH B . 
E 4 HOH 68  368 304 HOH HOH B . 
E 4 HOH 69  369 4   HOH HOH B . 
E 4 HOH 70  370 59  HOH HOH B . 
E 4 HOH 71  371 73  HOH HOH B . 
E 4 HOH 72  372 25  HOH HOH B . 
E 4 HOH 73  373 93  HOH HOH B . 
E 4 HOH 74  374 8   HOH HOH B . 
E 4 HOH 75  375 66  HOH HOH B . 
E 4 HOH 76  376 211 HOH HOH B . 
E 4 HOH 77  377 82  HOH HOH B . 
E 4 HOH 78  378 71  HOH HOH B . 
E 4 HOH 79  379 3   HOH HOH B . 
E 4 HOH 80  380 14  HOH HOH B . 
E 4 HOH 81  381 76  HOH HOH B . 
E 4 HOH 82  382 172 HOH HOH B . 
E 4 HOH 83  383 48  HOH HOH B . 
E 4 HOH 84  384 13  HOH HOH B . 
E 4 HOH 85  385 9   HOH HOH B . 
E 4 HOH 86  386 116 HOH HOH B . 
E 4 HOH 87  387 264 HOH HOH B . 
E 4 HOH 88  388 43  HOH HOH B . 
E 4 HOH 89  389 60  HOH HOH B . 
E 4 HOH 90  390 45  HOH HOH B . 
E 4 HOH 91  391 33  HOH HOH B . 
E 4 HOH 92  392 137 HOH HOH B . 
E 4 HOH 93  393 32  HOH HOH B . 
E 4 HOH 94  394 46  HOH HOH B . 
E 4 HOH 95  395 303 HOH HOH B . 
E 4 HOH 96  396 24  HOH HOH B . 
E 4 HOH 97  397 281 HOH HOH B . 
E 4 HOH 98  398 56  HOH HOH B . 
E 4 HOH 99  399 97  HOH HOH B . 
E 4 HOH 100 400 18  HOH HOH B . 
E 4 HOH 101 401 12  HOH HOH B . 
E 4 HOH 102 402 22  HOH HOH B . 
E 4 HOH 103 403 49  HOH HOH B . 
E 4 HOH 104 404 7   HOH HOH B . 
E 4 HOH 105 405 32  HOH HOH B . 
E 4 HOH 106 406 64  HOH HOH B . 
E 4 HOH 107 407 125 HOH HOH B . 
E 4 HOH 108 408 23  HOH HOH B . 
E 4 HOH 109 409 57  HOH HOH B . 
E 4 HOH 110 410 8   HOH HOH B . 
E 4 HOH 111 411 133 HOH HOH B . 
E 4 HOH 112 412 140 HOH HOH B . 
E 4 HOH 113 413 30  HOH HOH B . 
E 4 HOH 114 414 54  HOH HOH B . 
E 4 HOH 115 415 38  HOH HOH B . 
E 4 HOH 116 416 257 HOH HOH B . 
E 4 HOH 117 417 120 HOH HOH B . 
E 4 HOH 118 418 42  HOH HOH B . 
E 4 HOH 119 419 112 HOH HOH B . 
E 4 HOH 120 420 20  HOH HOH B . 
E 4 HOH 121 421 15  HOH HOH B . 
E 4 HOH 122 422 154 HOH HOH B . 
E 4 HOH 123 423 41  HOH HOH B . 
E 4 HOH 124 424 69  HOH HOH B . 
E 4 HOH 125 425 44  HOH HOH B . 
E 4 HOH 126 426 5   HOH HOH B . 
E 4 HOH 127 427 53  HOH HOH B . 
E 4 HOH 128 428 263 HOH HOH B . 
E 4 HOH 129 429 103 HOH HOH B . 
E 4 HOH 130 430 156 HOH HOH B . 
E 4 HOH 131 431 19  HOH HOH B . 
E 4 HOH 132 432 197 HOH HOH B . 
E 4 HOH 133 433 30  HOH HOH B . 
E 4 HOH 134 434 266 HOH HOH B . 
E 4 HOH 135 435 114 HOH HOH B . 
E 4 HOH 136 436 23  HOH HOH B . 
E 4 HOH 137 437 115 HOH HOH B . 
E 4 HOH 138 438 21  HOH HOH B . 
E 4 HOH 139 439 13  HOH HOH B . 
E 4 HOH 140 440 31  HOH HOH B . 
E 4 HOH 141 441 98  HOH HOH B . 
E 4 HOH 142 442 104 HOH HOH B . 
E 4 HOH 143 443 127 HOH HOH B . 
E 4 HOH 144 444 205 HOH HOH B . 
E 4 HOH 145 445 166 HOH HOH B . 
E 4 HOH 146 446 14  HOH HOH B . 
E 4 HOH 147 447 131 HOH HOH B . 
E 4 HOH 148 448 270 HOH HOH B . 
E 4 HOH 149 449 259 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     .        ?               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           7HOB 
_cell.length_a           95.338 
_cell.length_b           95.338 
_cell.length_c           45.752 
_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                         7HOB 
_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          7HOB 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_percent_sol   48.90 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-04 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HOB 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             33.720 
_reflns.d_resolution_high            1.150 
_reflns.number_obs                   59061 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         85.100 
_reflns.pdbx_Rmerge_I_obs            0.040 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        33.100 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              ? 
_reflns.pdbx_Rrim_I_all              ? 
_reflns.pdbx_Rpim_I_all              ? 
_reflns.pdbx_CC_half                 1.000 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     ? 
_reflns.pdbx_scaling_rejects         ? 
_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                      ? 
_reflns.pdbx_CC_star                 ? 
# 
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 
_reflns_shell.pdbx_CC_star 
1 1 1.150 1.170  ? ? 410  ? 0.298 ? ? ? ? ? 2.100  ? ? ? ? ? ? 11.400  ? ? 0.800 ? 
1 2 3.120 33.720 ? ? 3764 ? 0.035 ? ? ? ? ? 88.300 ? ? ? ? ? ? 100.000 ? ? 1.000 ? 
# 
_refine.entry_id                                 7HOB 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.1500 
_refine.ls_d_res_low                             33.7300 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    85.1000 
_refine.ls_number_reflns_obs                     59061 
_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                          0.1731 
_refine.ls_R_factor_R_work                       0.1725 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1851 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2997 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               13.4650 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0300 
_refine.aniso_B[2][2]                            0.0300 
_refine.aniso_B[3][3]                            -0.0500 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9680 
_refine.correlation_coeff_Fo_to_Fc_free          0.9660 
_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                       0.0390 
_refine.pdbx_overall_ESU_R_Free                  0.0390 
_refine.overall_SU_ML                            0.0240 
_refine.overall_SU_B                             0.5170 
_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                                60.840 
_refine.B_iso_min                                6.590 
_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                        33.7300 
_refine_hist.pdbx_number_atoms_ligand         13 
_refine_hist.number_atoms_solvent             149 
_refine_hist.number_atoms_total               1655 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           32.67 
_refine_hist.pdbx_B_iso_mean_solvent          23.62 
_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       1632 0.016  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1440 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2226 1.981  1.636  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3313 1.486  1.578  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 201  7.423  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 95   28.387 21.789 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 251  10.803 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 11   18.778 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         199  0.094  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   1922 0.012  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     428  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            783  1.371  1.182  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         782  1.332  1.177  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           991  2.057  1.772  ? ? 
# 
_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               15.1700 
_refine_ls_shell.number_reflns_R_work             767 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.2570 
_refine_ls_shell.R_factor_R_free                  0.2650 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             43 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                810 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.R_factor_obs                     ? 
# 
_struct.entry_id                  7HOB 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21, ground state' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HOB 
_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 2 ? 
D N N 3 ? 
E N N 4 ? 
# 
_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              7HOB 
_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 7HOB MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HOB HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HOB HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HOB HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HOB HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HOB HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HOB HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HOB MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 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       -1.60 
# 
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 103 ? N TRP B 109 O GLU A 110 ? O GLU B 116 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HOB 
_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     ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   OE2 
_pdbx_validate_close_contact.auth_asym_id_1   B 
_pdbx_validate_close_contact.auth_comp_id_1   GLU 
_pdbx_validate_close_contact.auth_seq_id_1    116 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   B 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   B 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    301 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             1.61 
# 
_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                1.164 
_pdbx_validate_rmsd_bond.bond_target_value         1.252 
_pdbx_validate_rmsd_bond.bond_deviation            -0.088 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.011 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 NE B ARG 34 ? ? CZ B ARG 34 ? ? NH1 B ARG 34 ? ? 123.70 120.30 3.40  0.50 N 
2 1 NE B ARG 38 ? ? CZ B ARG 38 ? ? NH2 B ARG 38 ? ? 117.27 120.30 -3.03 0.50 N 
3 1 CG B ARG 64 ? ? CD B ARG 64 ? ? NE  B ARG 64 ? ? 130.21 111.80 18.41 2.10 N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 70.41   36.38 
2 1 ASP B 152 ? ? -103.32 53.41 
# 
_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     435 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
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 
# 
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 
# 
_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_1002321 
_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 of ground-state model' 
_pdbx_deposit_group.group_type          'ground state' 
# 
_pdbx_initial_refinement_model.accession_code   2VOK 
_pdbx_initial_refinement_model.details          ? 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.type             'experimental model' 
# 
_atom_sites.entry_id                    7HOB 
_atom_sites.fract_transf_matrix[1][1]   0.010489 
_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]   0.010489 
_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]   0.021857 
_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   ? -13.416 -12.651 -9.847  1.00 53.07 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.886 -13.338 -11.078 1.00 48.17 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.738 -12.517 -11.685 1.00 46.29 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.582 -11.321 -11.315 1.00 47.48 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -14.017 -13.588 -12.095 1.00 42.29 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.552 -12.353 -12.742 1.00 37.56 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.937 -11.765 -13.834 1.00 37.88 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.636 -11.594 -12.469 1.00 34.61 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.615 -10.688 -14.194 1.00 35.88 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.659 -10.551 -13.367 1.00 29.92 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -11.003 -13.121 -12.621 1.00 40.75 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.838  -12.521 -13.324 1.00 39.65 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.010 -12.635 -14.849 1.00 33.89 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -8.991  -12.821 -15.549 1.00 35.61 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.552  -13.158 -12.759 1.00 47.48 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.414  -12.920 -11.288 1.00 55.27 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.057  -11.682 -10.766 1.00 57.78 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.643  -13.723 -10.224 1.00 60.02 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -8.050  -11.743 -9.448  1.00 59.19 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.398  -12.987 -9.091  1.00 60.84 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.243 -12.460 -15.358 1.00 28.54 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.624 -12.658 -16.790 1.00 23.47 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.590 -11.327 -17.545 1.00 24.43 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.732 -11.345 -18.784 1.00 21.12 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.029 -13.286 -16.929 1.00 23.99 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.168 -14.638 -16.327 1.00 25.18 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.287 -15.673 -16.592 1.00 23.76 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.107 -15.146 -15.503 1.00 24.63 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.670 -16.751 -15.935 1.00 28.59 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.783 -16.452 -15.273 1.00 27.68 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.370 -10.211 -16.852 1.00 26.29 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.526 -8.844  -17.405 1.00 27.16 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.653 -8.645  -18.646 1.00 25.36 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.122 -7.955  -19.561 1.00 26.89 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.255 -7.769  -16.334 1.00 32.34 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.126 -7.912  -15.134 1.00 38.04 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.752 -8.680  -14.035 1.00 44.39 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.354 -7.415  -14.853 1.00 40.00 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.712 -8.641  -13.123 1.00 43.37 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.712 -7.874  -13.603 1.00 41.94 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.455  -9.254  -18.720 1.00 24.03 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.502  -9.083  -19.849 1.00 25.01 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.015  -9.724  -21.147 1.00 22.62 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.416  -9.474  -22.187 1.00 24.84 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.114  -9.611  -19.460 1.00 29.71 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.102  -11.054 -19.106 1.00 27.73 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.495  -12.011 -19.912 1.00 34.93 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.561  -11.709 -18.019 1.00 29.43 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.609  -13.193 -19.345 1.00 27.88 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.262  -13.042 -18.185 1.00 33.08 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.059 -10.568 -21.126 1.00 18.88 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.735 -11.096 -22.349 1.00 15.69 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.834 -10.158 -22.826 1.00 14.18 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.642 -10.607 -23.652 1.00 13.95 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.293 -12.474 -22.079 1.00 15.34 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.224 -13.449 -21.692 1.00 16.52 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.191  -13.777 -22.552 1.00 17.12 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.050 -14.157 -20.565 1.00 17.50 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.394  -14.625 -21.930 1.00 18.09 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.884  -14.897 -20.729 1.00 19.16 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.882 -8.940  -22.311 1.00 14.90 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.938 -7.968  -22.683 1.00 16.80 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.021 -7.824  -24.195 1.00 16.67 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -11.961 -7.663  -24.907 1.00 19.40 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.643 -6.596  -22.072 1.00 20.44 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.680 -5.524  -22.354 1.00 26.61 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.228 -5.748  -21.415 1.00 37.53 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.728 -5.093  -19.828 1.00 31.46 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.235 -7.815  -24.722 1.00 14.33 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.529 -7.577  -26.157 1.00 15.21 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.512 -6.400  -26.235 1.00 15.44 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.392 -6.259  -25.378 1.00 15.71 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.056 -8.825  -26.884 1.00 16.26 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -13.970 -9.863  -27.071 1.00 20.29 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.256 -9.470  -26.209 1.00 17.51 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.427 -5.613  -27.297 1.00 15.24 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.318 -4.459  -27.557 1.00 15.15 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.538 -4.938  -28.325 1.00 15.15 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.428 -5.304  -29.485 1.00 19.37 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.567 -3.393  -28.348 1.00 17.08 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.329 -2.118  -28.503 1.00 20.44 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.424 -1.194  -27.502 1.00 24.10 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.059 -1.660  -29.536 1.00 23.59 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.154 -0.174  -27.926 1.00 22.03 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.561 -0.448  -29.173 1.00 26.20 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.656 -5.102  -27.635 1.00 12.26 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.910 -5.572  -28.259 1.00 11.83 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.708 -4.368  -28.787 1.00 12.44 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.776 -3.372  -28.114 1.00 12.70 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.728 -6.396  -27.242 1.00 12.48 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.926 -7.609  -26.745 1.00 13.59 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.062 -6.819  -27.845 1.00 12.62 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.363 -8.520  -27.814 1.00 13.78 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.322 -4.571  -29.929 1.00 12.04 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.302 -3.587  -30.476 1.00 13.35 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.555 -4.341  -30.864 1.00 13.21 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.493 -5.554  -31.161 1.00 14.10 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.717 -2.793  -31.642 1.00 14.98 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.358 -3.686  -32.674 1.00 16.94 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.566 -1.889  -31.227 1.00 16.16 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.698 -3.644  -30.836 1.00 11.30 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -25.998 -4.296  -31.122 1.00 11.35 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.272 -4.284  -32.617 1.00 11.62 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -25.954 -3.262  -33.313 1.00 13.53 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.064 -3.540  -30.363 1.00 11.66 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.865 -3.626  -28.868 1.00 10.98 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.857 -2.717  -28.142 1.00 13.90 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -26.936 -5.070  -28.334 1.00 13.00 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.848 -5.322  -33.136 1.00 10.09 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.235 -5.493  -34.549 1.00 10.87 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.737 -5.125  -34.731 1.00 10.40 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.616 -5.913  -34.450 1.00 10.60 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -26.965 -6.920  -35.022 1.00 11.48 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.254 -7.197  -36.480 1.00 13.82 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.914 -6.337  -37.114 1.00 14.33 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -26.962 -8.312  -36.994 1.00 15.16 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -28.937 -3.890  -35.233 0.50 12.09 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -28.967 -3.897  -35.216 0.50 12.98 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.262 -3.258  -35.500 0.50 13.28 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.328 -3.326  -35.429 0.50 14.45 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.168 -4.199  -36.279 0.50 12.92 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.198 -4.239  -36.274 0.50 13.83 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.399 -4.196  -36.035 0.50 13.05 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.436 -4.261  -36.075 0.50 13.62 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.090 -1.954  -36.314 0.50 14.79 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.233 -1.977  -36.164 0.50 18.05 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.238 -0.896  -35.623 0.50 17.09 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.968 -0.811  -35.230 0.50 21.55 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.008 0.344   -36.505 0.50 17.44 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.529 -0.325  -35.259 0.50 25.47 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.534 1.435   -35.688 0.50 19.58 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.179 0.640   -36.315 0.50 28.60 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.275 2.019   -34.778 0.50 18.47 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.729 0.342   -37.538 0.50 32.46 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.540 1.676   -34.670 0.50 20.32 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.619 -0.905  -37.955 0.50 35.19 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.765 2.965   -34.022 0.50 19.89 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.421 1.319   -38.368 0.50 36.19 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.612 -4.954  -37.225 1.00 12.74 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.408 -5.789  -38.130 1.00 13.66 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.095 -6.937  -37.409 1.00 12.32 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.081 -7.458  -37.912 1.00 12.37 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.553 -6.253  -39.307 1.00 17.22 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.366 -5.156  -40.339 1.00 23.77 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.128 -4.193  -40.389 1.00 30.42 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.328 -5.288  -41.140 1.00 35.27 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.570 -7.366  -36.234 1.00 10.52 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.103 -8.487  -35.464 1.00 10.35 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.143 -7.998  -34.452 1.00 9.68  ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.811 -8.835  -33.835 1.00 10.23 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.004 -9.264  -34.723 1.00 10.68 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.449 -8.469  -33.675 1.00 10.72 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -29.960 -9.818  -35.690 1.00 11.35 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.219 -6.712  -34.246 1.00 9.65  ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.009 -6.164  -33.123 1.00 9.62  ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.502 -6.359  -33.364 1.00 9.74  ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.021 -6.088  -34.493 1.00 11.38 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.720 -4.711  -32.949 1.00 10.85 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.251 -6.656  -32.348 1.00 9.59  ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.714 -6.457  -32.380 1.00 9.56  ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -37.996 -5.023  -32.840 1.00 8.86  ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.296 -4.087  -32.498 1.00 8.88  ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.267 -6.786  -31.000 1.00 10.41 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.745 -6.526  -30.895 1.00 11.50 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.184 -5.404  -30.684 1.00 11.99 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.505 -7.564  -31.004 1.00 15.81 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.080 -4.883  -33.612 1.00 9.17  ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.440 -3.599  -34.264 1.00 9.80  ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.823 -2.522  -33.256 1.00 9.66  ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -39.925 -1.353  -33.733 1.00 10.59 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.585 -3.815  -35.245 1.00 10.86 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.687 -4.307  -34.528 1.00 13.05 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.032 -2.781  -31.983 1.00 9.13  ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.326 -1.728  -30.992 1.00 10.06 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.061 -1.226  -30.285 1.00 9.48  ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.183 -0.322  -29.464 1.00 10.17 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.311 -2.252  -29.979 1.00 10.27 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.720 -2.370  -30.505 1.00 10.91 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.140 -2.882  -31.692 1.00 10.13 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.891 -1.938  -29.816 1.00 11.85 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.516 -2.809  -31.774 1.00 12.18 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -44.984 -2.263  -30.643 1.00 11.75 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.122 -1.327  -28.587 1.00 13.66 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.314 -1.998  -30.259 1.00 14.10 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.436 -1.072  -28.201 1.00 16.19 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.502 -1.456  -29.008 1.00 16.55 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.887 -1.852  -30.538 1.00 9.31  ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.672 -1.435  -29.789 1.00 9.65  ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.074 -0.169  -30.412 1.00 9.80  ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.086 0.028   -31.631 1.00 10.62 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.631 -2.553  -29.813 1.00 9.16  ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.081 -3.815  -29.090 1.00 9.79  ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -34.983 -4.862  -29.082 1.00 10.26 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.524 -3.566  -27.686 1.00 11.23 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.464 0.597   -29.558 1.00 9.81  ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.677 1.802   -29.932 1.00 11.42 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.230 1.579   -29.490 1.00 11.46 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -32.952 1.450   -28.286 1.00 10.83 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.233 3.035   -29.270 1.00 11.68 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.702 3.290   -29.692 1.00 12.14 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.367 4.266   -29.614 1.00 13.48 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.362 4.391   -28.975 1.00 14.29 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.365 1.490   -30.480 1.00 13.61 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.903 1.297   -30.255 1.00 13.21 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.168 2.607   -30.435 1.00 13.66 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.474 3.406   -31.418 1.00 14.95 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.397 0.233   -31.203 1.00 14.17 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -30.973 -1.121  -30.835 1.00 17.20 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.866 0.146   -31.182 1.00 15.04 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.740 -2.114  -31.792 1.00 19.04 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.328 2.991   -29.516 1.00 13.59 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.613 4.270   -29.589 1.00 14.42 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.677 4.332   -30.810 1.00 12.93 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.317 3.350   -31.394 1.00 12.79 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.885 4.461   -28.322 1.00 14.82 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.903 3.426   -28.137 1.00 14.20 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.310 5.585   -31.164 1.00 16.13 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.376 5.853   -32.292 1.00 15.90 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.105 5.009   -32.168 1.00 14.50 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.668 4.510   -33.198 1.00 16.19 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.026 7.352   -32.334 1.00 17.07 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.105 7.727   -33.474 1.00 19.27 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.286 9.155   -33.871 1.00 21.01 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.015 10.032  -32.683 1.00 27.43 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.300 11.423  -33.028 1.00 30.26 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.519 4.964   -30.975 1.00 15.11 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.268 4.184   -30.780 1.00 13.92 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.525 2.661   -30.780 1.00 12.62 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.517 1.917   -30.682 1.00 13.26 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.497 4.666   -29.561 1.00 15.96 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.167 4.424   -28.215 1.00 15.97 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.273 3.785   -28.212 1.00 15.32 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.565 4.812   -27.202 1.00 18.44 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.754 2.180   -30.900 1.00 12.00 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.114 0.754   -30.878 1.00 11.82 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.669 0.102   -29.559 1.00 9.89  ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.520 -1.161  -29.556 1.00 11.33 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.606 0.041   -32.136 1.00 15.58 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.186 0.653   -33.408 1.00 19.92 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.853 -0.055  -34.683 1.00 26.31 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.437 -0.296  -34.883 1.00 32.39 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.780 -1.479  -34.788 1.00 42.46 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.379 -2.640  -34.494 1.00 34.79 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.473 -1.487  -35.019 1.00 48.83 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.634 0.821   -28.507 1.00 9.88  ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.251 0.291   -27.192 1.00 10.94 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.393 0.279   -26.189 1.00 10.70 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.217 -0.305  -25.082 1.00 12.44 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.064 1.079   -26.623 1.00 11.55 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.804 1.008   -27.472 1.00 13.47 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -20.967 -0.218  -27.229 1.00 14.83 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.213 -0.051  -25.992 1.00 15.59 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.477 -1.000  -25.397 1.00 14.89 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.404 -2.172  -25.956 1.00 14.86 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.842 -0.749  -24.278 1.00 16.58 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.537 0.898   -26.474 1.00 10.10 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.700 0.903   -25.573 1.00 11.25 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -28.947 0.510   -26.326 1.00 10.19 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.078 0.788   -27.536 1.00 11.16 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.916 2.297   -24.972 1.00 13.05 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.658 2.920   -24.427 1.00 15.30 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -26.988 4.155   -23.614 1.00 18.97 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.148 4.416   -23.242 1.00 22.52 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -25.973 4.957   -23.371 1.00 23.11 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.894 -0.082  -25.616 1.00 9.74  ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.195 -0.471  -26.220 1.00 9.55  ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.273 -0.323  -25.166 1.00 9.82  ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.098 -0.693  -24.013 1.00 9.52  ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.135 -1.877  -26.826 1.00 9.17  ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.692 -2.941  -25.800 1.00 9.40  ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.452 -2.251  -27.474 1.00 10.17 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.421 0.195   -25.582 1.00 9.66  ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.618 0.267   -24.725 1.00 10.07 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.880 -0.030  -25.555 1.00 9.61  ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.882 0.041   -26.765 1.00 9.77  ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.724 1.626   -24.037 1.00 11.73 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -34.989 2.753   -25.013 1.00 13.38 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.929 4.079   -24.261 1.00 16.00 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.218 5.192   -25.143 1.00 20.88 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.416 5.663   -25.398 1.00 17.41 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.508 5.127   -24.898 1.00 21.07 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.499 6.721   -26.221 1.00 22.52 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.909 -0.318  -24.775 0.50 8.72  ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -36.948 -0.449  -24.881 0.50 10.63 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.265 -0.573  -25.305 0.50 9.18  ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.227 -0.728  -25.608 0.50 11.99 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.930 0.764   -25.696 0.50 9.37  ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.013 0.576   -25.681 0.50 11.17 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.966 1.699   -24.903 0.50 10.62 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.333 1.171   -24.557 0.50 11.01 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.061 -1.360  -24.257 0.50 8.52  ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.154 -1.803  -25.001 0.50 15.87 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.440 -1.855  -24.735 0.50 10.30 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.536 -2.058  -25.841 0.50 15.07 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.290 -2.926  -26.260 0.50 12.95 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.226 -3.558  -25.167 0.50 19.71 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -41.903 -3.684  -26.300 0.50 12.84 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.507 -3.785  -26.400 0.50 21.22 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.307 0.914   -26.944 1.00 10.74 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.123 2.093   -27.290 1.00 13.01 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.578 1.892   -26.916 1.00 14.01 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -41.977 0.815   -26.471 1.00 14.03 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.351 2.993   -26.984 1.00 16.53 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.800 2.917   -26.590 1.00 18.15 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.632 2.537   -27.839 1.00 17.25 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.879 2.405   -27.687 1.00 17.35 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.255 4.176   -25.799 1.00 22.90 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.784 4.310   -24.329 1.00 29.52 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.578 3.270   -23.647 1.00 34.84 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.672 5.466   -23.832 1.00 33.66 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.043 2.286   -28.994 1.00 14.03 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.743 1.952   -30.265 1.00 14.14 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.796 1.277   -31.254 1.00 12.03 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.502 1.266   -31.041 1.00 12.01 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.291 3.294   -30.729 1.00 16.25 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.221 3.041   -31.748 1.00 17.56 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.218 4.250   -31.216 1.00 18.02 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.289 0.816   -32.395 1.00 12.14 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.465 0.328   -33.516 1.00 11.40 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.528 1.436   -33.974 1.00 11.81 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -42.974 2.615   -34.157 1.00 11.80 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.393 -0.166  -34.627 1.00 11.04 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.785 -0.831  -35.785 1.00 10.71 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -42.991 -0.170  -36.713 1.00 11.38 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.913 -2.110  -36.256 1.00 11.73 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.653 -1.001  -37.668 1.00 11.10 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.204 -2.251  -37.412 1.00 11.33 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.262 1.116   -34.221 1.00 10.60 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.223 2.130   -34.504 1.00 10.64 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.051 2.391   -36.002 1.00 11.51 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.024 2.993   -36.396 1.00 12.90 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.907 1.748   -33.797 1.00 10.88 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.035 1.795   -32.314 1.00 11.33 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.495 3.126   -31.786 1.00 11.73 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.439 3.259   -30.993 1.00 14.84 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.877 4.200   -32.245 1.00 10.75 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.009 1.991   -36.832 1.00 11.45 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.092 2.442   -38.244 1.00 11.09 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -39.994 1.851   -39.076 1.00 11.81 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.555 2.460   -40.051 1.00 13.41 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.090 3.977   -38.386 1.00 11.36 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.787 4.417   -39.660 1.00 10.56 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.662 3.741   -40.199 1.00 10.43 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.349 5.544   -40.226 1.00 11.05 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.619 0.613   -38.812 1.00 13.51 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.654 -0.207  -39.593 1.00 14.93 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.410 -1.264  -40.423 1.00 13.88 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.457 -1.693  -40.000 1.00 14.02 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.603 -0.883  -38.669 1.00 15.90 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.701 0.135   -37.990 1.00 18.85 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.226 -1.779  -37.617 1.00 16.60 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.850 -1.706  -41.534 1.00 15.13 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.403 -2.815  -42.315 1.00 15.27 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.182 -4.125  -41.571 1.00 13.18 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.195 -4.252  -40.769 1.00 13.95 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.760 -2.884  -43.689 1.00 17.88 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.347 -3.039  -43.582 1.00 20.65 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.009 -5.108  -41.790 1.00 14.39 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.838 -6.457  -41.213 1.00 14.73 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.785 -7.208  -42.013 1.00 15.90 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.517 -6.876  -43.195 1.00 16.38 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.182 -7.171  -41.152 1.00 16.03 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.051 -8.449  -40.362 1.00 19.95 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.337 -8.456  -39.274 1.00 15.89 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -41.449 -9.496  -40.974 1.00 24.97 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.176 -8.217  -41.380 1.00 14.18 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.203 -9.102  -42.048 1.00 15.20 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.117 -10.382 -41.238 1.00 15.49 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.706 -10.476 -40.146 1.00 15.41 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.873 -8.410  -42.232 1.00 15.28 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.117 -8.208  -40.926 1.00 14.56 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -34.972 -9.173  -40.149 1.00 16.53 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.664 -7.046  -40.602 1.00 14.27 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.527 -11.396 -41.829 1.00 16.35 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.534 -12.755 -41.229 1.00 17.69 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.630 -12.823 -39.978 1.00 15.02 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.807 -13.773 -39.206 1.00 16.40 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.043 -13.807 -42.232 1.00 20.82 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.622 -13.589 -42.694 1.00 26.36 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.234 -14.404 -43.914 1.00 35.62 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.732 -14.457 -44.094 1.00 39.69 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.324 -15.752 -44.684 1.00 46.46 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.752 -11.872 -39.800 1.00 14.13 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.845 -11.869 -38.612 1.00 13.94 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.549 -11.326 -37.350 1.00 13.18 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.074 -11.667 -36.208 1.00 14.04 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.624 -11.014 -38.860 1.00 16.18 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.740 -11.402 -40.053 1.00 20.28 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.567 -10.430 -40.196 1.00 25.64 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.548 -9.626  -41.173 1.00 31.23 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.673 -10.410 -39.331 1.00 27.74 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.579 -10.473 -37.448 1.00 12.14 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.102 -9.798  -36.232 1.00 10.96 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.810 -10.744 -35.303 1.00 11.67 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.663 -11.560 -35.712 1.00 11.90 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.100 -8.714  -36.636 1.00 10.83 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.521 -7.591  -37.469 1.00 12.39 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.421 -6.307  -37.433 1.00 11.18 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -36.909 -5.291  -38.316 1.00 12.48 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.820 -4.572  -38.086 1.00 12.40 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.210 -4.614  -36.896 1.00 11.65 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.341 -3.762  -39.041 1.00 14.23 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.524 -10.660 -34.018 1.00 10.44 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.337 -11.361 -33.026 1.00 10.05 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.736 -10.739 -33.028 1.00 11.35 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.916 -9.554  -32.765 1.00 11.91 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.723 -11.236 -31.640 1.00 9.31  ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.496 -12.105 -31.475 1.00 9.34  ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.611 -13.468 -31.222 1.00 9.56  ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.217 -11.572 -31.549 1.00 9.86  ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.488 -14.287 -31.084 1.00 10.36 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.077 -12.398 -31.385 1.00 9.94  ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.246 -13.741 -31.139 1.00 9.40  ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.749 -11.535 -33.285 1.00 11.61 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.145 -11.017 -33.465 1.00 12.72 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -41.893 -10.939 -32.162 1.00 12.89 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.712 -9.960  -32.036 1.00 15.71 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.922 -11.861 -34.490 1.00 14.09 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.037 -13.207 -34.051 1.00 14.43 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.766 -11.845 -31.221 1.00 12.37 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.721 -11.975 -30.111 1.00 13.40 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.237 -11.327 -28.824 1.00 12.18 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.010 -11.170 -27.891 1.00 14.57 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.014 -13.439 -29.829 1.00 14.77 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -43.917 -14.118 -30.867 1.00 16.09 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.769 -13.934 -32.072 1.00 19.63 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.922 -14.806 -30.356 1.00 22.03 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -40.931 -11.023 -28.709 1.00 10.68 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.315 -10.535 -27.450 1.00 10.42 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.346 -9.403  -27.777 1.00 9.12  ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.839 -9.325  -28.886 1.00 9.64  ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.538 -11.682 -26.792 1.00 10.64 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.240 -13.017 -26.731 1.00 11.38 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.248 -13.206 -25.784 1.00 14.20 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.943 -14.084 -27.569 1.00 12.31 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.911 -14.429 -25.650 1.00 15.25 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.657 -15.266 -27.500 1.00 12.51 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.615 -15.454 -26.523 1.00 13.68 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.230 -16.680 -26.469 1.00 15.00 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.050 -8.534  -26.783 1.00 9.50  ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.182 -7.371  -26.992 1.00 9.53  ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.667 -7.676  -27.002 1.00 7.76  ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.911 -7.154  -26.222 1.00 8.33  ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.582 -6.402  -25.845 1.00 10.64 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.816 -6.993  -25.224 1.00 12.47 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.702 -8.453  -25.477 1.00 10.39 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.282 -8.546  -27.940 1.00 8.03  ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -34.950 -9.167  -28.026 1.00 7.26  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.167 -8.580  -29.169 1.00 7.65  ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.682 -8.105  -30.212 1.00 8.94  ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.085 -10.662 -28.197 1.00 8.08  ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.638 -11.370 -27.002 1.00 8.18  ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.118 -13.078 -27.416 1.00 9.58  ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.756 -13.687 -25.851 1.00 10.58 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.830 -8.632  -29.018 1.00 7.90  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.849 -8.166  -30.022 1.00 8.36  ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.553 -8.966  -29.822 1.00 8.01  ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.235 -9.339  -28.658 1.00 8.32  ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.625 -6.641  -29.966 1.00 9.03  ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.127 -6.181  -28.614 1.00 9.38  ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.755 -6.110  -31.111 1.00 9.23  ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.771 -9.135  -30.881 1.00 7.90  ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.445 -9.791  -30.793 1.00 8.23  ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.335 -8.782  -30.900 1.00 8.74  ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.451 -7.710  -31.615 1.00 9.93  ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.265 -10.839 -31.889 1.00 9.27  ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.339 -11.900 -31.923 1.00 9.25  ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.072 -12.955 -32.994 1.00 11.34 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.537 -12.567 -30.575 1.00 9.55  ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.171 -9.116  -30.320 1.00 8.93  ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.900 -8.450  -30.702 1.00 9.23  ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.506 -8.756  -32.147 1.00 9.48  ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.825 -9.803  -32.659 1.00 9.92  ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.758 -7.846  -32.761 1.00 10.57 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.270 -8.039  -34.146 1.00 11.87 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.150 -9.086  -34.192 1.00 12.45 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -21.987 -9.784  -35.209 1.00 15.75 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.803 -6.729  -34.682 1.00 13.38 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.397 -9.198  -33.119 1.00 11.63 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.196 -10.068 -33.064 1.00 12.62 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.607 -11.543 -33.049 1.00 13.11 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.655 -11.944 -32.438 1.00 13.77 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.348 -9.701  -31.842 1.00 14.56 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.664 -8.352  -31.935 1.00 16.15 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.622 -7.179  -31.819 1.00 15.84 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.584 -7.259  -31.052 1.00 14.71 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.357 -6.084  -32.511 1.00 18.16 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.849 -12.382 -33.763 1.00 12.91 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.005 -13.837 -33.776 1.00 13.07 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.751 -14.485 -33.220 1.00 12.21 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.633 -14.040 -33.576 1.00 15.11 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.177 -14.424 -35.192 1.00 17.24 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.574 -14.301 -35.810 1.00 24.84 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.005 -12.849 -35.775 1.00 26.66 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -22.914 -12.105 -36.664 1.00 29.58 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.642 -12.566 -37.678 1.00 28.25 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.388 -11.715 -38.370 1.00 33.59 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.625 -13.833 -38.015 1.00 29.81 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.894 -15.419 -32.328 1.00 10.82 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.734 -16.086 -31.698 1.00 11.65 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.810 -17.576 -31.952 1.00 10.42 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.806 -18.234 -31.716 1.00 11.24 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.765 -15.844 -30.178 1.00 13.05 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.794 -14.365 -29.790 1.00 14.46 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.784 -13.555 -30.264 1.00 16.78 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.783 -13.786 -29.027 1.00 21.17 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.712 -12.203 -29.966 1.00 19.17 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.706 -12.424 -28.699 1.00 18.12 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.714 -11.648 -29.225 1.00 19.27 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.687 -18.139 -32.426 0.50 11.26 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.685 -18.165 -32.394 0.50 11.10 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.569 -19.580 -32.756 0.50 11.74 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.551 -19.621 -32.661 0.50 11.45 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.348 -20.231 -32.074 0.50 11.70 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.289 -20.191 -32.026 0.50 11.82 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.184 -21.470 -32.220 0.50 11.78 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.872 -21.266 -32.436 0.50 10.68 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.620 -19.793 -34.280 0.50 12.43 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.498 -19.902 -34.132 0.50 11.77 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -17.988 -19.683 -34.775 0.50 13.69 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.465 -19.132 -34.693 0.50 12.52 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.593 -19.469 -31.281 0.50 10.83 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.650 -19.445 -31.155 0.50 12.36 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.412 -19.965 -30.520 0.50 10.72 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.385 -19.881 -30.542 0.50 13.31 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.087 -18.985 -29.392 0.50 11.29 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -12.999 -18.889 -29.457 0.50 12.96 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.648 -17.911 -29.359 0.50 11.79 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.424 -17.705 -29.558 0.50 13.91 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.178 -20.089 -31.441 0.50 11.30 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.307 -19.925 -31.616 0.50 14.95 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.715 -18.823 -31.878 0.50 12.35 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.139 -20.520 -31.099 0.50 19.26 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.145 -19.318 -28.533 1.00 13.30 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.556 -18.334 -27.618 1.00 14.50 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.377 -18.064 -26.356 1.00 11.43 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.385 -18.717 -26.092 1.00 13.16 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.875 -17.082 -25.655 1.00 11.17 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.465 -16.597 -24.402 1.00 11.35 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.898 -15.166 -24.643 1.00 11.44 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.119 -14.350 -25.145 1.00 13.05 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.443 -16.714 -23.278 1.00 12.68 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.051 -18.137 -22.915 1.00 13.47 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.924  -18.197 -21.859 1.00 15.51 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.584  -19.607 -21.407 1.00 17.85 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.508  -19.620 -20.376 1.00 20.40 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.097 -14.826 -24.192 1.00 10.54 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.708 -13.496 -24.398 1.00 10.75 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.374 -13.037 -23.106 1.00 10.11 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -15.954 -13.872 -22.396 1.00 10.62 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.810 -13.551 -25.442 1.00 10.38 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.380 -13.741 -26.869 1.00 11.93 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.652 -15.311 -27.411 1.00 13.40 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.883 -16.502 -26.973 1.00 14.23 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.340 -11.750 -22.829 1.00 10.60 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -15.962 -11.175 -21.606 1.00 10.28 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.584 -9.839  -21.982 1.00 9.93  ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.945 -9.013  -22.694 1.00 10.97 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.906 -10.979 -20.507 1.00 11.26 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.428 -10.363 -19.239 1.00 11.00 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.137 -11.129 -18.334 1.00 11.16 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.230 -9.014  -18.935 1.00 11.49 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.678 -10.586 -17.167 1.00 11.87 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.749 -8.471  -17.768 1.00 11.31 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.458 -9.243  -16.877 1.00 11.71 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -16.998 -8.667  -15.756 1.00 12.80 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.771 -9.550  -21.454 1.00 9.22  ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.368 -8.194  -21.567 1.00 9.62  ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.255 -7.945  -20.349 1.00 9.41  ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.599 -8.869  -19.604 1.00 9.97  ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.107 -8.008  -22.924 1.00 9.83  ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.270 -8.894  -23.187 1.00 9.02  ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.593 -8.587  -23.003 1.00 9.15  ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.267 -10.211 -23.740 1.00 9.68  ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.391 -9.628  -23.374 1.00 9.30  ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.599 -10.651 -23.826 1.00 9.90  ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.250 -11.091 -24.148 1.00 10.92 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -21.948 -11.890 -24.345 1.00 10.23 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.576 -12.327 -24.678 1.00 12.74 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.909 -12.739 -24.719 1.00 12.29 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.642 -6.678  -20.184 1.00 9.35  ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.505 -6.227  -19.073 1.00 9.06  ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.728 -5.463  -19.566 1.00 8.97  ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.641 -4.752  -20.540 1.00 9.57  ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.711 -5.394  -18.082 1.00 11.15 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.649 -6.217  -17.365 1.00 13.41 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.809 -5.465  -16.353 1.00 14.65 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -17.936 -4.198  -16.280 1.00 20.50 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.939 -6.126  -15.664 1.00 14.38 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.814 -5.646  -18.841 1.00 8.70  ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.093 -5.009  -19.186 1.00 8.82  ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.644 -4.356  -17.941 1.00 8.73  ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.757 -4.959  -16.869 1.00 10.14 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.106 -6.023  -19.741 1.00 9.20  ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.354 -5.303  -20.184 1.00 10.23 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.484 -6.866  -20.842 1.00 9.98  ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.082 -3.100  -18.091 1.00 9.34  ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.768 -2.312  -17.052 1.00 9.81  ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.252 -2.586  -17.100 1.00 8.72  ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.882 -2.439  -18.205 1.00 9.84  ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.501 -0.811  -17.231 1.00 11.97 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.871 -0.003  -15.993 1.00 14.43 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -26.985 -0.006  -15.608 1.00 13.31 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -24.960 0.419   -15.237 1.00 18.51 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.831 -2.975  -15.969 1.00 9.27  ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.281 -3.323  -15.817 1.00 9.73  ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -29.971 -2.416  -14.777 1.00 9.60  ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.043 -2.764  -14.268 1.00 10.29 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.426 -4.828  -15.456 1.00 9.43  ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.877 -5.760  -16.555 1.00 9.38  ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.803 -5.202  -14.123 1.00 10.37 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.330 -1.305  -14.415 1.00 10.19 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.844 -0.383  -13.367 1.00 11.20 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.336 -0.084  -13.575 1.00 11.16 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.768 0.289   -14.667 1.00 12.02 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.050 0.932   -13.400 1.00 12.35 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.664 0.670   -13.134 1.00 14.63 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.579 1.942   -12.400 1.00 14.43 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.056 -0.226  -12.482 1.00 13.22 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.488 0.105   -12.279 1.00 15.16 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.433 -0.674  -13.180 1.00 15.32 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.659 -0.357  -13.216 1.00 20.97 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.747 1.600   -12.366 1.00 20.99 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.507 2.246   -13.713 1.00 27.67 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.576 3.277   -13.995 1.00 31.38 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.316 4.320   -14.592 1.00 34.40 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.809 2.947   -13.631 1.00 36.51 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.005 -1.745  -13.821 1.00 11.61 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.942 -2.604  -14.542 1.00 9.88  ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.628 -3.608  -13.636 1.00 9.53  ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -34.994 -4.145  -12.688 1.00 10.73 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.220 -3.291  -15.696 1.00 10.28 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.784 -2.297  -16.800 1.00 10.41 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.258 -2.939  -18.067 1.00 10.41 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.326 -3.657  -18.863 1.00 9.97  ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.553 -2.847  -19.182 1.00 8.62  ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.857 -3.932  -13.969 1.00 8.78  ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.657 -4.954  -13.279 1.00 8.65  ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.597 -6.302  -13.971 1.00 8.46  ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -37.976 -7.302  -13.375 1.00 9.58  ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.133 -4.544  -13.258 1.00 9.49  ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.463 -3.308  -12.464 1.00 11.37 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.933 -2.867  -12.589 1.00 10.82 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.325 -2.017  -11.772 1.00 13.57 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.642 -3.369  -13.460 1.00 11.76 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.261 -6.356  -15.256 1.00 8.33  ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.259 -7.608  -16.013 1.00 8.61  ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.287 -7.465  -17.172 1.00 8.52  ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.218 -6.402  -17.842 1.00 9.12  ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.629 -7.923  -16.541 1.00 9.70  ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.540 -8.546  -17.463 1.00 8.08  ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.566 -8.621  -18.586 1.00 7.92  ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.056 -10.041 -18.684 1.00 8.20  ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.150 -10.824 -17.692 1.00 8.62  ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.394 -7.667  -18.386 1.00 8.62  ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.743 -7.697  -17.048 1.00 8.46  ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.941 -6.840  -16.016 1.00 9.44  ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.761 -8.631  -16.516 1.00 8.35  ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.184 -7.117  -14.935 1.00 9.21  ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.443 -8.255  -15.204 1.00 9.12  ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.118 -9.787  -17.045 1.00 9.29  ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.521 -8.931  -14.403 1.00 9.30  ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.224 -10.489 -16.249 1.00 10.02 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -29.930 -10.050 -14.939 1.00 10.11 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.524 -10.393 -19.842 1.00 7.92  ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.743 -11.642 -20.043 1.00 7.95  ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.394 -11.258 -20.618 1.00 7.30  ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.339 -10.353 -21.491 1.00 8.10  ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.423 -12.633 -20.993 1.00 9.71  ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.911 -12.846 -20.865 1.00 10.58 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.351 -12.872 -19.752 1.00 13.66 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.597 -13.026 -21.927 1.00 12.76 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.337 -11.962 -20.235 1.00 7.04  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -28.981 -11.733 -20.790 1.00 7.44  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.251 -13.047 -20.978 1.00 6.94  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.383 -13.960 -20.145 1.00 7.34  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.151 -10.871 -19.841 1.00 7.85  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.506 -9.385  -19.714 1.00 8.93  ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.682 -8.753  -18.589 1.00 9.80  ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.305 -8.669  -21.020 1.00 9.58  ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.418 -13.095 -22.007 1.00 6.80  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.447 -14.211 -22.136 1.00 7.22  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.910 -14.280 -23.555 1.00 7.03  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.511 -13.250 -24.133 1.00 7.36  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.869 -15.504 -24.068 0.50 7.22  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.915 -15.473 -24.090 0.50 7.40  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.481 -15.812 -25.474 0.50 6.92  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.305 -15.711 -25.419 0.50 7.28  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.468 -16.793 -26.072 0.50 7.34  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.215 -16.790 -26.046 0.50 7.55  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.195 -17.557 -25.393 0.50 7.89  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.805 -17.555 -25.283 0.50 8.05  ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.075 -16.427 -25.626 0.50 7.25  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.810 -16.093 -25.248 0.50 7.98  ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.075 -15.373 -25.236 0.50 7.01  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.660 -17.457 -24.580 0.50 8.24  ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.885 -17.709 -24.822 0.50 7.19  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.051 -16.028 -26.554 0.50 9.22  ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.397 -16.825 -27.385 1.00 7.82  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.214 -17.790 -28.075 1.00 8.64  ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.548 -18.222 -29.393 1.00 8.03  ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.683 -17.516 -29.922 1.00 8.35  ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.619 -17.261 -28.360 1.00 9.44  ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.710 -15.858 -29.489 1.00 9.48  ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -26.989 -19.338 -29.922 0.50 8.10  ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -26.961 -19.376 -29.909 0.50 8.06  ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.544 -19.701 -31.278 0.50 8.53  ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.532 -19.859 -31.254 0.50 8.41  ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -26.989 -18.657 -32.287 0.50 8.25  ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.055 -18.878 -32.314 0.50 8.42  ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.023 -18.022 -32.224 0.50 7.56  ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.246 -18.452 -32.227 0.50 8.89  ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.163 -21.034 -31.682 0.50 9.92  ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.074 -21.279 -31.516 0.50 9.06  ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.776 -22.125 -30.706 0.50 10.89 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.349 -22.037 -32.619 0.50 8.78  ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.276 -23.440 -31.209 0.50 12.34 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.975 -23.384 -32.907 0.50 9.73  ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -26.934 -24.520 -30.292 0.50 11.83 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.812 -24.216 -31.752 0.50 9.77  ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.768 -25.493 -29.982 0.50 12.57 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.817 -24.753 -31.081 0.50 9.38  ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -28.975 -25.508 -30.496 0.50 12.88 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.044 -24.710 -31.540 0.50 10.23 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.380 -26.438 -29.150 0.50 14.18 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.528 -25.380 -29.956 0.50 8.98  ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.207 -18.573 -33.330 1.00 9.50  ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.595 -17.669 -34.438 1.00 10.50 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.888 -18.167 -35.059 1.00 10.94 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.648 -17.301 -35.608 1.00 14.72 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.481 -17.590 -35.492 1.00 12.18 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.107 -18.870 -36.192 1.00 14.66 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.600 -19.961 -35.775 1.00 16.59 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.311 -18.745 -37.191 1.00 17.63 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.223 -19.434 -35.030 1.00 10.30 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.371 -20.026 -35.736 1.00 12.78 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.624 -20.189 -34.861 1.00 11.17 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.535 -20.892 -35.256 1.00 12.28 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -28.945 -21.328 -36.343 1.00 15.60 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.540 -22.200 -35.406 1.00 16.25 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.703 -19.527 -33.700 1.00 10.41 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.932 -19.621 -32.885 1.00 10.30 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.141 -19.122 -33.694 1.00 10.22 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.038 -18.197 -34.503 1.00 10.81 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.828 -18.870 -31.539 1.00 9.72  ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.814 -19.557 -30.644 1.00 10.06 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.605 -17.386 -31.675 1.00 10.30 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.261 -19.748 -33.406 1.00 11.19 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.612 -19.299 -33.856 1.00 12.82 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.816 -17.808 -33.552 1.00 11.62 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.522 -17.345 -32.457 1.00 12.59 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.633 -20.144 -33.095 1.00 15.16 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.102 -19.877 -33.442 1.00 18.32 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.014 -20.711 -32.545 1.00 21.40 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.612 -21.709 -31.901 1.00 22.55 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.293 -20.345 -32.458 1.00 23.39 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.395 -17.098 -34.510 1.00 11.05 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.676 -15.633 -34.377 1.00 10.59 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.169 -15.404 -34.233 1.00 11.32 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.560 -14.384 -33.625 1.00 11.95 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.142 -14.818 -35.528 1.00 11.83 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.673 -15.045 -35.846 1.00 11.95 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.730 -14.767 -34.648 1.00 11.42 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.366 -15.248 -34.929 1.00 12.33 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.470 -14.556 -35.567 1.00 11.50 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.739 -13.327 -35.942 1.00 13.50 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.295 -15.073 -35.883 1.00 13.82 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.026 -16.249 -34.821 1.00 11.85 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.485 -15.966 -34.955 1.00 12.05 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.273 -16.854 -34.045 1.00 12.99 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.934 -18.071 -33.931 1.00 15.20 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.900 -16.171 -36.418 1.00 13.11 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.085 -15.425 -37.432 1.00 13.64 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.021 -13.905 -37.199 1.00 14.80 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.224 -13.224 -38.270 1.00 14.61 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.160 -11.739 -38.143 1.00 14.66 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.354 -16.349 -33.490 1.00 13.65 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.239 -17.141 -32.648 1.00 14.84 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.743 -17.291 -31.217 1.00 15.62 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.751 -16.574 -30.792 1.00 15.29 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.376 -18.196 -30.494 1.00 16.47 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.120 -18.418 -29.070 1.00 18.13 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.065 -19.501 -28.899 1.00 17.42 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -41.969 -20.413 -29.733 1.00 18.49 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.412 -18.871 -28.387 1.00 22.02 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.455 -17.780 -28.426 1.00 29.27 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.789 -18.297 -27.979 1.00 37.71 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.132 -18.203 -26.801 1.00 47.93 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.515 -18.889 -28.919 1.00 41.99 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.207 -19.334 -27.891 1.00 14.90 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.172 -20.329 -27.538 1.00 14.39 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.678 -20.047 -26.136 1.00 14.25 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.831 -18.939 -25.614 1.00 15.51 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -38.995 -20.277 -28.513 1.00 14.20 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.363 -18.905 -28.664 1.00 13.39 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.356 -18.499 -27.789 1.00 13.55 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.720 -18.043 -29.694 1.00 13.01 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.752 -17.263 -27.924 1.00 13.12 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.111 -16.810 -29.838 1.00 12.95 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.117 -16.434 -28.961 1.00 13.15 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.140 -21.058 -25.470 0.50 14.48 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.090 -21.089 -25.556 0.50 13.55 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.493 -20.847 -24.153 0.50 14.62 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.438 -21.060 -24.224 0.50 13.39 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -36.985 -20.719 -24.344 0.50 12.83 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -36.943 -20.750 -24.374 0.50 11.88 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.410 -21.300 -25.278 0.50 13.38 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.320 -21.190 -25.385 0.50 12.13 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.778 -21.942 -23.187 0.50 17.46 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.647 -22.368 -23.497 0.50 14.51 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.441 -23.170 -23.796 0.50 21.33 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.026 -22.537 -23.155 0.50 17.24 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.390 -20.008 -23.415 1.00 11.54 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.940 -19.848 -23.360 1.00 11.94 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.357 -21.037 -22.661 1.00 11.77 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.452 -21.183 -21.436 1.00 14.04 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.573 -18.579 -22.610 1.00 12.37 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.079 -17.290 -23.239 1.00 13.08 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.693 -16.081 -22.371 1.00 13.96 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.567 -17.098 -24.657 1.00 14.90 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.647 -21.891 -23.399 1.00 10.76 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.080 -23.137 -22.852 1.00 10.98 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.853 -23.491 -23.682 1.00 9.66  ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.830 -23.189 -24.876 1.00 10.01 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.060 -24.310 -22.850 1.00 12.60 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.401 -24.645 -24.174 1.00 15.96 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.924 -24.271 -23.165 1.00 9.91  ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.824 -24.786 -23.989 1.00 11.48 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.332 -25.657 -25.138 1.00 11.05 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.759 -25.549 -26.253 1.00 11.06 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.931 -25.577 -23.008 1.00 11.41 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.210 -24.856 -21.688 1.00 12.23 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.689 -24.535 -21.745 1.00 12.10 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.393 -26.414 -24.937 1.00 11.61 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -31.970 -27.226 -26.029 1.00 14.00 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.376 -26.338 -27.210 1.00 13.50 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.334 -26.788 -28.379 1.00 14.63 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.141 -28.046 -25.496 1.00 18.52 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.775 -28.921 -24.318 1.00 26.39 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.136 -28.388 -22.934 1.00 31.61 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.364 -27.528 -22.344 1.00 20.22 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.192 -28.876 -22.411 1.00 40.77 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.838 -25.104 -26.982 1.00 11.25 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.228 -24.162 -28.040 1.00 11.30 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.084 -23.250 -28.445 1.00 10.15 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.287 -22.397 -29.305 1.00 11.29 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.441 -23.354 -27.575 1.00 12.18 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.735 -24.124 -27.582 1.00 14.44 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.852 -25.217 -28.189 1.00 17.42 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.708 -23.642 -26.821 1.00 15.86 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.883 -23.443 -27.920 1.00 9.12  ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.720 -22.668 -28.327 1.00 8.96  ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.452 -21.378 -27.547 1.00 7.56  ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.793 -20.497 -28.041 1.00 8.66  ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.902 -21.333 -26.267 1.00 8.30  ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.716 -20.148 -25.387 1.00 7.88  ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.024 -20.513 -24.070 1.00 7.34  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.459 -21.515 -23.440 1.00 8.74  ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.068 -19.505 -25.036 1.00 8.67  ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.841 -18.980 -26.229 1.00 8.80  ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.747 -19.793 -26.890 1.00 9.65  ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.705 -17.685 -26.684 1.00 8.99  ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.487 -19.336 -27.978 1.00 9.90  ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.438 -17.230 -27.767 1.00 9.75  ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.327 -18.051 -28.406 1.00 9.55  ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.076 -19.704 -23.662 1.00 7.11  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.415 -19.794 -22.338 1.00 7.37  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.555 -18.424 -21.661 1.00 6.66  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.826 -17.494 -21.983 1.00 7.52  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.950 -20.254 -22.488 1.00 7.67  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.844 -21.617 -23.104 1.00 7.44  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.756 -22.824 -22.481 1.00 8.76  ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.853 -21.924 -24.520 1.00 8.16  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.796 -23.857 -23.396 1.00 9.18  ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.854 -23.329 -24.650 1.00 9.47  ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.939 -21.151 -25.688 1.00 8.94  ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.908 -23.949 -25.915 1.00 10.33 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -25.973 -21.795 -26.922 1.00 10.51 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.012 -23.153 -27.012 1.00 10.86 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.550 -18.327 -20.773 1.00 6.97  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.068 -17.040 -20.283 1.00 7.22  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.396 -17.102 -18.795 1.00 6.89  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.684 -18.170 -18.247 1.00 7.37  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.321 -16.603 -21.061 1.00 7.67  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.409 -17.487 -20.854 1.00 8.70  ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.019 -16.380 -22.537 1.00 8.12  ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.438 -15.914 -18.205 1.00 7.43  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.087 -15.695 -16.862 1.00 7.33  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.091 -14.563 -17.043 1.00 7.14  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.030 -13.774 -18.042 1.00 7.92  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.073 -15.396 -15.752 1.00 7.86  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.373 -14.048 -15.941 1.00 8.41  ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.064 -16.552 -15.639 1.00 7.93  ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.573 -13.575 -14.739 1.00 9.42  ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -31.964 -14.410 -16.069 1.00 7.26  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -32.978 -13.337 -16.121 1.00 8.05  ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.354 -12.870 -14.746 1.00 8.10  ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.192 -13.575 -13.711 1.00 8.65  ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.189 -13.733 -16.918 1.00 10.14 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.950 -14.874 -16.401 1.00 11.85 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.820 -14.909 -15.349 1.00 12.11 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.079 -16.129 -17.059 1.00 11.97 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.451 -16.120 -15.295 1.00 14.55 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.032 -16.893 -16.339 1.00 12.86 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.486 -16.695 -18.174 1.00 13.55 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.380 -18.203 -16.689 1.00 15.99 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.858 -17.959 -18.542 1.00 15.48 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.776 -18.689 -17.815 1.00 14.98 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -33.963 -11.671 -14.734 1.00 7.90  ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.762 -11.130 -13.617 1.00 8.31  ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.204 -11.100 -14.060 1.00 8.26  ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.527 -10.608 -15.137 1.00 8.65  ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.298 -9.727  -13.317 1.00 9.13  ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.139 -8.949  -12.291 1.00 9.67  ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.160 -9.616  -10.925 1.00 10.08 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.664 -7.528  -12.168 1.00 11.11 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.089 -11.536 -13.165 1.00 9.46  ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.545 -11.547 -13.402 1.00 10.21 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.244 -11.605 -12.051 1.00 11.53 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -38.948 -12.498 -11.231 1.00 12.11 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.918 -12.765 -14.224 1.00 13.50 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.365 -13.014 -14.343 1.00 15.30 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.129 -14.036 -13.832 1.00 16.69 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.219 -12.210 -15.147 1.00 15.86 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.409 -13.876 -14.248 1.00 17.51 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.506 -12.768 -15.051 1.00 15.75 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.046 -11.068 -15.937 1.00 15.22 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.623 -12.238 -15.690 1.00 18.56 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.161 -10.518 -16.548 1.00 19.15 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.433 -11.091 -16.436 1.00 18.44 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.131 -10.628 -11.766 1.00 10.17 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -40.993 -10.671 -10.549 1.00 10.88 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.105 -10.863 -9.356  1.00 12.18 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.468 -11.703 -8.458  1.00 13.84 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.077 -11.712 -10.681 1.00 12.73 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -42.970 -11.368 -11.835 1.00 13.60 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.225 -12.206 -11.906 1.00 15.10 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.154 -11.870 -12.663 1.00 17.76 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.317 -13.273 -11.129 1.00 14.65 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.114 -10.044 -9.219  1.00 12.63 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.315 -9.925  -8.004  1.00 16.54 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.465 -11.182 -7.728  1.00 18.03 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.865 -11.224 -6.608  1.00 24.30 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.280 -9.630  -6.852  1.00 18.90 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.638 -9.014  -5.658  1.00 25.99 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.704 -8.188  -5.811  1.00 29.12 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.119 -9.368  -4.552  1.00 31.79 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.307 -12.099 -8.684  1.00 13.62 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.399 -13.272 -8.537  1.00 14.93 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.485 -13.373 -9.756  1.00 11.78 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.895 -13.049 -10.922 1.00 12.22 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.200 -14.492 -8.177  1.00 18.00 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.849 -15.026 -9.285  1.00 26.47 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.296 -13.894 -9.521  1.00 10.51 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.297 -14.205 -10.571 1.00 9.85  ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.287 -15.694 -10.840 1.00 9.72  ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.303 -16.509 -9.885  1.00 10.40 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.940 -13.691 -10.145 1.00 10.26 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.877 -12.187 -9.903  1.00 10.45 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.128 -11.644 -8.650  1.00 11.00 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.516 -11.328 -10.908 1.00 9.95  ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.035 -10.268 -8.437  1.00 11.78 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.466 -9.960  -10.722 1.00 10.12 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.689 -9.428  -9.470  1.00 10.57 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.667 -8.071  -9.210  1.00 12.21 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.264 -16.078 -12.123 0.50 8.98  ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.255 -16.078 -12.125 0.50 9.35  ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.226 -17.505 -12.506 0.50 8.68  ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.276 -17.499 -12.547 0.50 9.35  ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.264 -17.717 -13.660 0.50 7.90  ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.266 -17.716 -13.661 0.50 8.21  ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.045 -16.799 -14.468 0.50 8.85  ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -32.039 -16.801 -14.471 0.50 9.10  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.624 -17.995 -12.838 0.50 10.16 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.658 -17.897 -13.040 0.50 11.59 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.625 -17.888 -11.670 0.50 12.07 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.764 -17.743 -11.997 0.50 14.90 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.046 -18.259 -12.069 0.50 13.05 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.989 -18.951 -11.097 0.50 15.54 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.493 -17.865 -13.149 0.50 16.30 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.417 -20.028 -11.349 0.50 21.30 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.721 -18.975 -11.283 0.50 14.18 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.858 -18.831 -10.208 0.50 22.56 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.711 -18.930 -13.749 1.00 8.02  ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.955 -19.356 -14.948 1.00 8.52  ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.894 -20.086 -15.880 1.00 8.11  ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.755 -20.881 -15.450 1.00 8.69  ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.772 -20.246 -14.568 1.00 8.25  ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.705 -19.837 -17.189 1.00 8.63  ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.526 -20.416 -18.257 1.00 9.99  ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.129 -21.822 -18.578 1.00 9.86  ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.846 -22.187 -19.714 1.00 12.44 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.090 -22.722 -17.616 1.00 12.45 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.113 -24.174 -17.818 1.00 13.86 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.538 -24.647 -18.058 1.00 13.92 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.459 -23.883 -17.890 1.00 15.47 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.526 -24.811 -16.580 1.00 11.61 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.215 -24.364 -15.397 1.00 11.21 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.086 -24.493 -16.390 1.00 13.16 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.730 -25.923 -18.396 1.00 17.51 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.087 -26.472 -18.561 1.00 20.23 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.257 -27.677 -17.633 1.00 21.52 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.594 -28.702 -17.798 1.00 23.61 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.388 -26.782 -20.030 1.00 23.62 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.700 -27.338 -20.166 1.00 28.56 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.029 -27.541 -16.540 1.00 18.51 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.701 -26.313 -16.143 1.00 18.92 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.704 -25.304 -15.540 1.00 15.10 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.569 -25.639 -15.244 1.00 14.30 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.728 -26.791 -15.115 1.00 22.30 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.020 -27.925 -14.447 1.00 22.08 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.256 -28.626 -15.563 1.00 21.67 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.162 -24.090 -15.319 1.00 13.91 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.297 -22.986 -14.847 1.00 12.87 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.786 -23.247 -13.421 1.00 10.76 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.431 -23.999 -12.651 1.00 12.65 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.009 -21.633 -14.946 1.00 16.82 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.155 -21.407 -13.979 1.00 24.20 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.522 -21.761 -14.515 1.00 33.37 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.688 -22.619 -15.386 1.00 40.07 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.531 -21.117 -13.945 1.00 40.10 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.671 -22.639 -13.111 1.00 9.29  ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.959 -22.822 -11.836 1.00 9.18  ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.977 -21.522 -11.053 1.00 9.37  ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.530 -20.495 -11.549 1.00 10.90 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.537 -23.314 -12.091 1.00 9.44  ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.551 -24.550 -12.801 1.00 10.63 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.760 -23.490 -10.811 1.00 10.39 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.364 -21.608 -9.777  1.00 10.09 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.311 -20.460 -8.865  1.00 11.05 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.889 -19.991 -8.618  1.00 10.18 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -30.967 -20.847 -8.354  1.00 12.10 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.964 -20.893 -7.535  1.00 13.29 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.331 -21.210 -7.807  1.00 15.57 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.743 -19.867 -6.438  1.00 15.83 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.614 -18.707 -8.720  1.00 9.47  ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.338 -18.110 -8.391  1.00 9.19  ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.407 -17.508 -6.973  1.00 10.87 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.531 -17.212 -6.474  1.00 14.11 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.923 -17.029 -9.406  1.00 9.04  ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.827 -17.532 -10.849 1.00 8.82  ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.573 -16.403 -11.835 1.00 9.48  ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.765 -18.620 -10.987 1.00 9.74  ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.275 -17.380 -6.315  1.00 10.65 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.136 -16.927 -4.900  1.00 11.12 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.284 -15.672 -4.937  1.00 12.87 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.041 -15.726 -5.026  1.00 17.48 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.476 -18.044 -4.057  1.00 12.17 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.257 -19.305 -4.015  1.00 12.54 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.949 -20.369 -4.843  1.00 14.89 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.330 -19.651 -3.315  1.00 14.27 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.814 -21.331 -4.610  1.00 15.12 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.664 -20.947 -3.673  1.00 13.94 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.909 -14.517 -4.975  1.00 14.70 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.226 -13.199 -5.127  1.00 16.76 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.649 -12.334 -3.907  1.00 17.40 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.833 -12.093 -3.707  1.00 23.42 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.538 -12.540 -6.494  1.00 17.48 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.124 -13.424 -7.686  1.00 16.88 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -27.877 -11.169 -6.534  1.00 22.96 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.394 -12.849 -9.067  1.00 15.92 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.689 -12.011 -3.069  1.00 19.66 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.923 -11.201 -1.833  1.00 20.87 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.899 -9.712  -2.183  1.00 20.43 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.683 -8.938  -1.557  1.00 21.07 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.831 -11.536 -0.811  1.00 22.85 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.879 -10.704 0.479   1.00 28.12 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.143 -10.884 1.296   1.00 32.57 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.788 -11.931 1.279   1.00 38.89 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.497 -9.859  2.059   1.00 35.76 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.102 -9.320  -3.172  1.00 17.53 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.903 -7.887  -3.579  1.00 15.46 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.453 -7.708  -4.988  1.00 15.85 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.811 -8.196  -5.947  1.00 14.35 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.421 -7.501  -3.517  1.00 17.72 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.185 -6.074  -4.046  1.00 18.80 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.897 -7.625  -2.082  1.00 19.02 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.688 -7.188  -5.194  1.00 13.99 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.223 -7.079  -6.555  1.00 14.49 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.242 -6.382  -7.457  1.00 13.53 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.706 -5.322  -7.166  1.00 14.71 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.504 -6.256  -6.335  1.00 17.05 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.928 -6.659  -4.920  1.00 18.67 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.641 -6.697  -4.160  1.00 17.53 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.859 -7.004  -8.595  1.00 12.74 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.857 -6.403  -9.452  1.00 11.91 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.368 -5.182  -10.225 1.00 11.55 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.455 -5.234  -10.759 1.00 12.52 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.423 -7.560  -10.379 1.00 11.96 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.579 -8.484  -10.345 1.00 14.60 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.196 -8.386  -8.984  1.00 13.09 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.496 -4.194  -10.358 1.00 11.34 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.681 -3.101  -11.327 1.00 11.18 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.897 -3.326  -12.605 1.00 10.86 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.197 -2.735  -13.632 1.00 11.25 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.311 -1.757  -10.724 1.00 13.76 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.304 -1.309  -9.271  1.00 21.79 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.775 -4.069  -12.554 0.50 10.53 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.985 -4.296  -12.525 0.50 10.83 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.067 -4.539  -13.784 0.50 11.39 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.017 -4.561  -13.618 0.50 12.47 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.743 -6.033  -13.638 0.50 10.10 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.723 -6.065  -13.611 0.50 10.58 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.422 -6.514  -12.528 0.50 10.50 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.504 -6.612  -12.518 0.50 10.62 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.771 -3.789  -14.137 0.50 11.84 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.782 -3.680  -13.432 0.50 14.18 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -22.886 -2.272  -14.309 0.50 13.56 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.018 -2.206  -13.710 0.50 16.82 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.837 -1.524  -12.993 0.50 15.55 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.783 -1.461  -14.155 0.50 19.71 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.139 -1.912  -12.064 0.50 17.02 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.688 -2.004  -14.200 0.50 24.07 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.641 -0.468  -12.870 0.50 16.30 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.960 -0.205  -14.490 0.50 23.39 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.835 -6.706  -14.782 1.00 10.07 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.643 -8.177  -14.965 1.00 10.08 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.416 -8.338  -15.861 1.00 10.00 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.361 -7.739  -16.956 1.00 9.56  ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.888 -8.807  -15.603 1.00 10.47 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.203 -8.633  -14.800 1.00 13.14 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.626 -10.305 -15.884 1.00 11.01 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.235 -9.395  -13.545 1.00 13.43 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.479 -9.223  -15.476 1.00 9.81  ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.393 -9.682  -16.350 1.00 9.22  ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.695 -11.043 -16.938 1.00 9.05  ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.246 -11.906 -16.259 1.00 9.53  ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.416 -11.200 -18.232 1.00 9.01  ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.676 -12.462 -18.986 1.00 8.79  ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.359 -12.933 -19.579 1.00 9.45  ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.679 -12.183 -20.288 1.00 9.59  ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.723 -12.225 -20.087 1.00 9.53  ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.029 -11.705 -19.480 1.00 10.56 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -21.997 -13.511 -20.853 1.00 10.85 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.041 -11.301 -20.444 1.00 13.32 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.004 -14.162 -19.226 1.00 9.04  ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.765 -14.822 -19.702 1.00 8.77  ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.120 -16.074 -20.483 1.00 8.30  ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.894 -16.895 -20.018 1.00 9.28  ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.894 -15.206 -18.515 1.00 10.00 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.656 -15.977 -18.859 1.00 11.37 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.640 -15.356 -19.542 1.00 12.75 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.485 -17.306 -18.527 1.00 13.00 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.485 -16.061 -19.895 1.00 14.77 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.331 -18.010 -18.878 1.00 14.97 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.341 -17.363 -19.547 1.00 14.25 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.552 -16.195 -21.681 1.00 8.85  ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.717 -17.364 -22.570 1.00 9.02  ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.333 -17.957 -22.844 1.00 8.44  ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.431 -17.254 -23.313 1.00 10.15 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.435 -17.021 -23.866 1.00 9.60  ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.559 -18.258 -24.744 1.00 11.45 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.785 -16.357 -23.592 1.00 11.37 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.205 -19.235 -22.547 1.00 8.61  ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.012 -20.031 -22.974 1.00 10.36 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.496 -21.052 -23.992 1.00 9.18  ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.106 -22.041 -23.637 1.00 9.70  ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.294 -20.644 -21.793 1.00 11.83 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.028 -21.443 -22.150 1.00 12.95 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.899 -21.862 -23.316 1.00 13.45 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.209 -21.589 -21.190 1.00 16.71 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.266 -20.745 -25.269 1.00 9.79  ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.855 -21.572 -26.340 1.00 9.98  ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.339 -23.015 -26.260 1.00 10.43 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.069 -23.954 -26.255 1.00 11.28 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.611 -20.958 -27.729 1.00 10.65 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.528 -21.558 -28.774 1.00 10.66 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.328 -22.831 -29.296 1.00 10.86 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.681 -20.878 -29.187 1.00 10.63 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.224 -23.404 -30.167 1.00 10.12 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.585 -21.432 -30.073 1.00 10.42 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.376 -22.709 -30.572 1.00 9.86  ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.267 -23.302 -31.417 1.00 11.00 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.026 -23.133 -26.152 1.00 11.88 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.379 -24.473 -26.200 1.00 12.60 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.815 -25.283 -24.995 1.00 12.71 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.167 -26.478 -25.149 1.00 14.91 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.866 -24.363 -26.292 1.00 15.34 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.459 -24.200 -27.771 1.00 21.29 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.822 -22.890 -28.356 1.00 24.79 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.098 -22.852 -29.486 1.00 21.56 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.829 -21.887 -27.611 1.00 26.46 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.895 -24.693 -23.802 1.00 11.39 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.247 -25.418 -22.582 1.00 12.21 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.746 -25.721 -22.526 1.00 12.83 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.166 -26.562 -21.720 1.00 14.78 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.837 -24.655 -21.355 1.00 13.83 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.589 -25.047 -23.298 1.00 10.85 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.043 -25.186 -23.206 1.00 10.19 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.623 -24.569 -21.921 1.00 8.97  ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.384 -25.238 -21.240 1.00 10.59 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.197 -23.351 -21.613 1.00 9.46  ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.606 -22.646 -20.356 1.00 9.49  ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.180 -21.277 -20.687 1.00 8.61  ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.601 -20.522 -21.447 1.00 9.43  ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.373 -22.500 -19.450 1.00 10.52 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.643 -21.519 -18.285 1.00 11.56 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.925 -23.885 -18.953 1.00 12.53 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.278 -20.967 -19.983 1.00 8.68  ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.845 -19.580 -19.930 1.00 8.51  ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.042 -19.220 -18.442 1.00 8.06  ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.814 -19.935 -17.784 1.00 8.47  ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.170 -19.472 -20.700 1.00 8.08  ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.649 -18.017 -20.688 1.00 8.76  ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.041 -19.977 -22.125 1.00 8.78  ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.385 -18.189 -17.976 1.00 7.58  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.519 -17.776 -16.565 1.00 8.56  ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -20.961 -16.317 -16.468 1.00 7.91  ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.659 -15.496 -17.317 1.00 8.67  ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.203 -17.954 -15.825 1.00 8.61  ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.828 -19.342 -15.732 1.00 9.94  ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.639 -16.048 -15.356 1.00 7.72  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.268 -14.756 -15.057 1.00 8.12  ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.732 -14.297 -13.714 1.00 8.29  ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.760 -15.081 -12.731 1.00 8.32  ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.810 -14.867 -15.041 1.00 8.19  ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.404 -15.266 -16.369 1.00 7.69  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.451 -16.597 -16.781 1.00 7.53  ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.901 -14.300 -17.230 1.00 7.72  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -24.970 -16.923 -18.030 1.00 7.85  ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.394 -14.646 -18.480 1.00 7.86  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.462 -15.952 -18.872 1.00 7.93  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.436 -13.012 -13.628 1.00 8.35  ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.771 -12.392 -12.452 1.00 9.68  ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.559 -11.149 -12.035 1.00 9.28  ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.036 -10.326 -12.866 1.00 9.91  ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.308 -12.087 -12.715 1.00 9.77  ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.511 -13.326 -13.001 1.00 10.34 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.007 -14.114 -11.971 1.00 11.15 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.306 -13.768 -14.305 1.00 10.93 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.348 -15.311 -12.233 1.00 11.01 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.628 -14.936 -14.586 1.00 11.54 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.128 -15.699 -13.545 1.00 10.99 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.457 -16.891 -13.819 1.00 13.00 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.608 -10.924 -10.718 1.00 10.58 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.298 -9.768  -10.080 1.00 10.44 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.266 -8.660  -9.904  1.00 10.47 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.497 -8.672  -8.883  1.00 12.50 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.917 -10.216 -8.768  1.00 10.81 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.740 -9.106  -8.115  1.00 11.19 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.577 -7.921  -8.465  1.00 12.38 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.629 -9.502  -7.268  1.00 12.47 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.186 -7.690  -10.811 1.00 11.84 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.128 -6.660  -10.746 1.00 12.57 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.385 -5.752  -9.528  1.00 13.75 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.394 -5.279  -8.925  1.00 15.60 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.084 -5.854  -12.053 1.00 13.16 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.893 -6.762  -13.275 1.00 14.01 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.044 -4.755  -12.011 1.00 15.58 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.849 -7.814  -13.094 1.00 17.52 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.613 -5.544  -9.130  1.00 13.25 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.007 -4.682  -7.971  1.00 14.03 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.451 -5.338  -6.710  1.00 16.53 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -20.968 -4.581  -5.812  1.00 19.36 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.532 -4.546  -7.935  1.00 13.68 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -23.961 -4.071  -9.206  1.00 14.06 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -23.970 -3.576  -6.853  1.00 15.03 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.397 -6.665  -6.611  1.00 15.53 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.866 -7.389  -5.429  1.00 17.05 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.460 -7.942  -5.689  1.00 17.13 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.249 -9.140  -5.502  1.00 18.14 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.875 -8.433  -5.051  1.00 17.23 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.505 -9.229  -3.829  1.00 20.05 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.042 -8.599  -2.845  1.00 21.58 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.699 -10.444 -3.871  1.00 20.45 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.547 -7.099  -6.113  1.00 19.04 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.103 -7.424  -6.217  1.00 21.68 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.920 -8.635  -7.146  1.00 19.36 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -16.008 -9.432  -6.917  1.00 22.67 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.470 -7.750  -4.847  1.00 27.35 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.766 -6.810  -3.718  1.00 35.38 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.130 -5.589  -3.588  1.00 41.43 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.576 -6.936  -2.642  1.00 38.75 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.562 -4.980  -2.497  1.00 44.62 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.448 -5.792  -1.890  1.00 41.57 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.744 -8.782  -8.190  1.00 16.03 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.524 -9.846  -9.190  1.00 14.33 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.947 -11.208 -8.711  1.00 13.45 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.439 -12.147 -9.309  1.00 13.98 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.771 -11.359 -7.710  1.00 12.33 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.132 -12.693 -7.199  1.00 11.46 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.843 -13.523 -8.283  1.00 11.49 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.647 -12.984 -9.117  1.00 11.18 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -19.991 -12.572 -5.949  1.00 13.10 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.179 -11.819 -6.161  1.00 13.78 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.645 -14.819 -8.277  1.00 10.23 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.288 -15.723 -9.260  1.00 9.76  ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.784 -15.784 -9.031  1.00 9.49  ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.290 -15.983 -7.890  1.00 9.87  ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.673 -17.117 -9.099  1.00 10.27 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.253 -18.170 -10.078 1.00 10.10 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.878 -17.871 -11.509 1.00 10.15 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.718 -19.572 -9.706  1.00 10.77 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.545 -15.628 -10.126 1.00 8.99  ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -23.991 -15.840 -10.151 1.00 9.21  ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.346 -17.249 -10.621 1.00 8.40  ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.150 -17.945 -10.035 1.00 8.63  ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.684 -14.761 -11.016 1.00 9.27  ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.526 -13.373 -10.419 1.00 9.97  ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.150 -15.108 -11.223 1.00 9.82  ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.946 -12.242 -11.363 1.00 10.25 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.778 -17.679 -11.771 1.00 8.11  ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.158 -18.980 -12.360 1.00 8.18  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.118 -19.381 -13.397 1.00 7.99  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.632 -18.517 -14.129 1.00 8.53  ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.550 -18.898 -13.068 1.00 8.08  ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.094 -20.247 -13.408 1.00 8.42  ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.719 -21.039 -12.459 1.00 8.81  ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.959 -20.772 -14.696 1.00 8.41  ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.176 -22.306 -12.759 1.00 9.20  ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.411 -22.035 -15.010 1.00 8.93  ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.987 -22.812 -14.031 1.00 9.11  ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.383 -24.098 -14.323 1.00 11.44 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.841 -20.683 -13.488 1.00 7.51  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.042 -21.290 -14.557 1.00 8.06  ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.813 -22.380 -15.252 1.00 7.97  ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.181 -23.365 -14.629 1.00 8.70  ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.686 -21.822 -14.028 1.00 8.82  ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.920 -20.705 -13.580 1.00 9.38  ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.953 -22.652 -15.079 1.00 9.53  ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.011 -22.209 -16.569 1.00 7.84  ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.385 -23.319 -17.465 1.00 7.90  ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.065 -24.000 -17.889 1.00 8.46  ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.201 -23.372 -18.467 1.00 9.37  ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.060 -22.822 -18.741 1.00 8.68  ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.431 -22.201 -18.593 1.00 7.52  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.604 -20.859 -18.326 1.00 7.30  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.553 -22.964 -18.781 1.00 8.07  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.884 -20.309 -18.254 1.00 8.01  ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.827 -22.399 -18.714 1.00 8.22  ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.987 -21.063 -18.434 1.00 7.68  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -21.979 -25.305 -17.605 1.00 10.16 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.821 -26.087 -18.082 1.00 10.89 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.360 -27.229 -18.912 1.00 10.59 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.549 -27.485 -18.995 1.00 12.22 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -19.998 -26.509 -16.919 1.00 11.68 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.669 -27.450 -16.140 1.00 15.59 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.436 -27.916 -19.603 1.00 12.90 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.806 -28.985 -20.575 1.00 14.08 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.725 -28.394 -21.643 1.00 11.81 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.651 -29.126 -22.122 1.00 13.51 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.468 -30.179 -19.876 1.00 16.62 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.744 -30.691 -18.641 1.00 21.33 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.359 -32.016 -18.275 1.00 32.07 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.423 -32.011 -17.626 1.00 34.90 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.863 -33.036 -18.782 1.00 38.23 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.490 -27.142 -22.031 1.00 11.72 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.346 -26.528 -23.066 1.00 10.70 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.083 -27.199 -24.418 1.00 11.47 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.886 -27.412 -24.758 1.00 12.77 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.147 -25.007 -23.200 1.00 10.40 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.544 -24.080 -21.700 1.00 10.26 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.133 -27.376 -25.179 1.00 11.56 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.004 -27.896 -26.569 1.00 12.15 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.456 -26.748 -27.466 1.00 11.29 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.631 -26.670 -27.823 1.00 13.16 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.745 -29.260 -26.708 1.00 14.66 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.635 -29.752 -28.156 1.00 14.58 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.227 -30.321 -25.721 1.00 16.49 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.562 -25.833 -27.801 1.00 10.56 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.891 -24.594 -28.525 1.00 11.14 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.444 -24.946 -29.899 1.00 11.28 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.461 -24.356 -30.344 1.00 12.56 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.718 -23.646 -28.561 1.00 10.20 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.263 -23.147 -27.201 1.00 9.54  ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.201 -22.654 -26.286 1.00 9.44  ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.932 -23.139 -26.821 1.00 10.46 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.816 -22.189 -25.022 1.00 9.71  ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.527 -22.686 -25.562 1.00 10.48 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.470 -22.170 -24.686 1.00 10.41 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.753 -25.838 -30.642 1.00 11.09 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.211 -26.408 -31.927 1.00 11.26 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.353 -25.334 -32.983 1.00 11.25 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.172 -25.556 -33.950 1.00 12.75 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.465 -27.171 -31.737 1.00 12.54 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.571 -24.307 -32.930 1.00 11.51 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.618 -23.220 -33.911 1.00 12.47 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.902 -21.981 -33.421 1.00 10.47 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.486 -21.953 -32.220 1.00 11.44 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.767 -20.966 -34.249 1.00 9.89  ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.303 -19.668 -33.789 1.00 10.35 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.253 -19.103 -32.707 1.00 10.02 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.464 -19.338 -32.794 1.00 10.15 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.310 -18.756 -35.034 1.00 10.92 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.425 -19.776 -36.192 1.00 11.56 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.201 -20.911 -35.664 1.00 10.79 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.674 -18.350 -31.785 1.00 9.45  ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.451 -17.685 -30.696 1.00 8.96  ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.551 -16.196 -30.955 1.00 9.08  ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.614 -15.568 -31.419 1.00 10.89 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.784 -17.913 -29.339 1.00 9.87  ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.797 -19.342 -28.798 1.00 11.14 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -20.978 -19.434 -27.535 1.00 10.54 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.205 -19.847 -28.579 1.00 11.54 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.687 -15.632 -30.526 1.00 8.52  ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.909 -14.178 -30.521 1.00 8.94  ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.318 -13.695 -29.132 1.00 7.67  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.103 -14.372 -28.461 1.00 8.25  ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -24.979 -13.814 -31.557 1.00 10.00 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.501 -14.167 -32.975 1.00 12.40 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.434 -13.794 -34.107 1.00 12.91 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.457 -12.351 -34.208 1.00 13.52 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.154 -11.722 -35.137 1.00 13.49 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.759 -12.437 -36.057 1.00 14.13 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.205 -10.416 -35.115 1.00 13.49 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.865 -12.511 -28.714 1.00 7.42  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.422 -11.916 -27.490 1.00 7.84  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -25.942 -11.741 -27.645 1.00 7.41  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.440 -11.402 -28.703 1.00 8.23  ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.727 -10.558 -27.376 1.00 8.03  ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.437 -10.766 -28.193 1.00 9.57  ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.857 -11.657 -29.341 1.00 9.45  ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.669 -12.031 -26.558 1.00 7.18  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.144 -12.070 -26.516 1.00 7.44  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.661 -11.109 -25.430 1.00 6.59  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.160 -11.100 -24.297 1.00 7.33  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.636 -13.497 -26.266 1.00 7.57  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.127 -13.573 -26.083 1.00 7.38  ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -30.966 -13.584 -27.186 1.00 8.52  ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.709 -13.615 -24.831 1.00 8.48  ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.340 -13.624 -27.035 1.00 8.64  ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.083 -13.600 -24.685 1.00 9.14  ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.897 -13.646 -25.784 1.00 9.51  ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.747 -10.369 -25.778 1.00 6.80  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.344 -9.361  -24.879 1.00 6.97  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.868 -9.395  -25.006 1.00 7.44  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.394 -9.469  -26.130 1.00 7.96  ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.887 -7.934  -25.248 1.00 7.71  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.380 -7.797  -25.378 1.00 7.30  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.731 -8.094  -26.555 1.00 7.94  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.614 -7.309  -24.330 1.00 8.52  ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.349 -8.005  -26.668 1.00 8.23  ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.233 -7.208  -24.421 1.00 9.12  ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.614 -7.537  -25.603 1.00 8.75  ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.566 -9.222  -23.883 1.00 7.43  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.019 -8.971  -23.860 1.00 7.34  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.232 -7.841  -22.874 1.00 7.13  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.913 -7.990  -21.672 1.00 7.72  ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.782 -10.208 -23.428 1.00 8.06  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.277 -10.012 -23.531 1.00 8.26  ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.805 -8.944  -23.839 1.00 9.51  ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.028 -11.060 -23.284 1.00 9.89  ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.737 -6.683  -23.338 1.00 7.50  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.018 -5.543  -22.432 1.00 8.22  ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.287 -5.758  -21.609 1.00 7.67  ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.514 -4.961  -20.685 1.00 8.89  ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.104 -4.186  -23.176 1.00 8.42  ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.813 -3.835  -23.885 1.00 9.67  ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.269 -4.142  -24.161 1.00 8.78  ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.073 -6.770  -21.951 1.00 8.29  ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.362 -7.030  -21.267 1.00 8.60  ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.456 -6.071  -21.707 1.00 8.37  ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.238 -5.026  -22.290 1.00 8.47  ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.677 -6.534  -21.475 1.00 9.41  ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.887 -5.699  -21.652 1.00 8.83  ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -41.936 -4.613  -20.594 1.00 8.82  ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.231 -4.657  -19.597 1.00 8.68  ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.169 -6.543  -21.683 1.00 10.07 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.278 -7.431  -22.899 1.00 11.14 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.632 -6.919  -24.123 1.00 13.24 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -42.991 -8.787  -22.841 1.00 13.19 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.736 -7.747  -25.238 1.00 14.54 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.101 -9.605  -23.972 1.00 13.45 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.481 -9.068  -25.135 1.00 14.27 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.796 -3.622  -20.851 1.00 9.13  ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -42.999 -2.526  -19.890 1.00 8.75  ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.508 -2.376  -19.662 1.00 9.22  ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.037 -1.244  -19.700 1.00 10.59 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.342 -1.241  -20.343 1.00 9.48  ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.364 -0.170  -19.285 1.00 9.17  ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.433 -0.433  -18.094 1.00 9.79  ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.308 1.058   -19.771 1.00 11.49 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.188 -3.438  -19.312 1.00 9.42  ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.619 -3.377  -18.904 1.00 9.46  ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.765 -2.594  -17.623 1.00 9.28  ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.852 -1.929  -17.437 1.00 10.60 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.204 -4.786  -18.721 1.00 10.03 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.272 -5.630  -19.969 1.00 11.77 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.278 -5.432  -20.911 1.00 15.89 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.436 -6.724  -20.115 1.00 13.92 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.308 -6.210  -22.069 1.00 16.46 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.478 -7.507  -21.265 1.00 14.15 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.394 -7.230  -22.233 1.00 16.24 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.466 -8.046  -23.342 1.00 21.93 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.821 -2.618  -16.708 1.00 9.56  ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -45.936 -2.014  -15.371 1.00 10.24 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.662 -0.502  -15.379 1.00 10.08 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -45.991 0.190   -14.394 1.00 12.16 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -44.987 -2.634  -14.418 1.00 10.47 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.634 -2.324  -14.848 1.00 10.10 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.021 0.019   -16.407 1.00 9.03  ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.490 1.384   -16.359 1.00 9.52  ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.252 1.515   -15.508 1.00 9.66  ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.768 2.670   -15.381 1.00 11.63 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.695 0.443   -14.956 1.00 9.35  ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.482 0.488   -14.136 1.00 9.71  ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.277 -0.136  -14.837 1.00 9.47  ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.220 -0.217  -14.158 1.00 11.29 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.363 -0.526  -16.080 1.00 8.20  ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.286 -1.271  -16.748 1.00 8.07  ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.839 -0.566  -18.030 1.00 8.38  ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.265 -1.237  -18.897 1.00 9.39  ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.701 -2.707  -17.062 1.00 7.98  ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.487 -3.588  -17.343 1.00 7.88  ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.435 -3.397  -16.727 1.00 8.51  ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.618 -4.488  -18.309 1.00 8.07  ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.931 0.773   -18.115 1.00 8.96  ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.546 1.495   -19.344 1.00 10.25 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.027 1.632   -19.472 1.00 10.28 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.567 1.911   -20.584 1.00 10.90 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.172 2.907   -19.351 1.00 10.68 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.283 1.484   -18.410 1.00 8.91  ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.832 1.778   -18.487 1.00 9.23  ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.125 0.893   -19.511 1.00 9.14  ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.498 -0.268  -19.750 1.00 9.00  ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.199 1.618   -17.136 1.00 9.95  ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.026 1.387   -20.091 1.00 9.23  ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.277 0.620   -21.085 1.00 9.26  ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.368 -0.487  -20.499 1.00 8.44  ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.016 -0.452  -19.350 1.00 9.64  ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.392 1.714   -21.745 1.00 10.12 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.133 2.668   -20.626 1.00 12.08 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.472 2.745   -19.904 1.00 10.84 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -30.979 -1.417  -21.370 1.00 8.80  ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.731 -2.201  -21.188 1.00 8.85  ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.591 -1.415  -21.822 1.00 9.33  ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.749 -0.908  -22.953 1.00 10.81 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.866 -3.554  -21.852 1.00 8.89  ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.888 -4.496  -21.206 1.00 9.48  ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.079 -5.783  -22.015 1.00 10.70 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.532 -4.860  -19.777 1.00 10.43 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.451 -1.332  -21.153 1.00 9.00  ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.306 -0.575  -21.708 1.00 10.09 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.064 -1.453  -21.660 1.00 10.36 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.717 -1.986  -20.573 1.00 11.33 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.006 0.728   -20.953 1.00 11.72 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.164 1.683   -20.742 1.00 13.77 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.765 3.005   -20.066 1.00 16.95 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.921 3.867   -19.625 1.00 19.93 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.403 5.064   -18.918 1.00 26.29 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.338 -1.518  -22.745 1.00 9.86  ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.010 -2.182  -22.742 1.00 10.14 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.010 -1.235  -22.101 1.00 11.71 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.836 -0.075  -22.628 1.00 14.76 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.632 -2.570  -24.170 1.00 11.13 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.360 -3.826  -24.652 1.00 12.50 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.548 -3.882  -26.151 1.00 15.30 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.725 -5.105  -24.074 1.00 10.82 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.353 -1.686  -21.045 1.00 13.31 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.427 -0.855  -20.215 1.00 15.85 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.069 -0.775  -20.864 1.00 17.28 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.586 -1.731  -21.444 1.00 19.09 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.115 -1.535  -18.896 1.00 18.49 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.547 -2.019  -17.946 1.00 19.17 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.370 0.370   -20.709 1.00 22.19 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.048 0.542   -21.278 1.00 27.86 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.079 -0.392  -20.554 1.00 27.03 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.235 -0.617  -19.350 1.00 28.35 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.759 2.043   -21.076 1.00 26.71 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.635 2.464   -19.940 1.00 27.12 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.862 1.585   -20.043 1.00 24.91 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.126 -0.896  -21.344 1.00 34.82 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.842 -1.541  -20.964 1.00 35.75 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.010 -0.590  -20.101 1.00 41.91 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.240 -1.065  -19.255 1.00 48.81 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.086 -1.877  -22.252 1.00 35.56 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.509 -3.439  -22.939 1.00 25.82 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.151 -3.121  -23.235 1.00 17.82 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.432 -3.856  -24.038 1.00 32.22 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.008 -3.540  -25.351 1.00 38.60 ? 201 EDO B O2  1 
HETATM 1571 C C1  . EDO C 2 .   ? -50.479 -16.939 -33.151 1.00 35.03 ? 202 EDO B C1  1 
HETATM 1572 O O1  . EDO C 2 .   ? -49.132 -16.522 -33.047 1.00 29.95 ? 202 EDO B O1  1 
HETATM 1573 C C2  . EDO C 2 .   ? -51.140 -17.045 -31.846 1.00 35.20 ? 202 EDO B C2  1 
HETATM 1574 O O2  . EDO C 2 .   ? -51.112 -15.817 -31.173 1.00 43.28 ? 202 EDO B O2  1 
HETATM 1575 S S   . SO4 D 3 .   ? -40.402 -24.526 -26.306 1.00 31.44 ? 203 SO4 B S   1 
HETATM 1576 O O1  . SO4 D 3 .   ? -39.674 -23.548 -27.052 1.00 21.57 ? 203 SO4 B O1  1 
HETATM 1577 O O2  . SO4 D 3 .   ? -41.327 -25.223 -27.159 1.00 41.14 ? 203 SO4 B O2  1 
HETATM 1578 O O3  . SO4 D 3 .   ? -39.446 -25.459 -25.745 1.00 38.02 ? 203 SO4 B O3  1 
HETATM 1579 O O4  . SO4 D 3 .   ? -41.131 -23.906 -25.214 1.00 34.56 ? 203 SO4 B O4  1 
HETATM 1580 O O   . HOH E 4 .   ? -37.124 -19.110 -8.644  1.00 21.47 ? 301 HOH B O   1 
HETATM 1581 O O   . HOH E 4 .   ? -47.008 -16.716 -31.984 1.00 21.02 ? 302 HOH B O   1 
HETATM 1582 O O   . HOH E 4 .   ? -22.689 -1.792  -9.685  1.00 24.01 ? 303 HOH B O   1 
HETATM 1583 O O   . HOH E 4 .   ? -26.857 -28.431 -27.830 1.00 19.70 ? 304 HOH B O   1 
HETATM 1584 O O   . HOH E 4 .   ? -38.666 -15.279 -11.579 1.00 26.47 ? 305 HOH B O   1 
HETATM 1585 O O   . HOH E 4 .   ? -40.084 -1.069  -9.798  1.00 24.77 ? 306 HOH B O   1 
HETATM 1586 O O   . HOH E 4 .   ? -45.573 3.681   -34.101 1.00 14.12 ? 307 HOH B O   1 
HETATM 1587 O O   . HOH E 4 .   ? -18.644 -21.906 -35.774 1.00 14.45 ? 308 HOH B O   1 
HETATM 1588 O O   . HOH E 4 .   ? -33.734 5.011   -16.963 1.00 37.55 ? 309 HOH B O   1 
HETATM 1589 O O   . HOH E 4 .   ? -38.485 0.695   -11.895 1.00 33.60 ? 310 HOH B O   1 
HETATM 1590 O O   . HOH E 4 .   ? -45.055 7.445   -24.690 1.00 36.05 ? 311 HOH B O   1 
HETATM 1591 O O   . HOH E 4 .   ? -13.399 -23.493 -31.600 1.00 11.82 ? 312 HOH B O   1 
HETATM 1592 O O   . HOH E 4 .   ? -29.403 -12.398 -37.714 1.00 19.62 ? 313 HOH B O   1 
HETATM 1593 O O   . HOH E 4 .   ? -12.617 -21.267 -18.633 1.00 23.87 ? 314 HOH B O   1 
HETATM 1594 O O   . HOH E 4 .   ? -36.788 -16.200 -39.409 1.00 23.91 ? 315 HOH B O   1 
HETATM 1595 O O   . HOH E 4 .   ? -45.476 0.129   -11.812 1.00 14.73 ? 316 HOH B O   1 
HETATM 1596 O O   . HOH E 4 .   ? -37.958 2.880   -22.775 1.00 16.02 ? 317 HOH B O   1 
HETATM 1597 O O   . HOH E 4 .   ? -24.592 -30.916 -21.905 1.00 28.73 ? 318 HOH B O   1 
HETATM 1598 O O   . HOH E 4 .   ? -35.628 -19.138 -30.501 1.00 24.27 ? 319 HOH B O   1 
HETATM 1599 O O   . HOH E 4 .   ? -35.915 -22.414 -19.590 1.00 22.99 ? 320 HOH B O   1 
HETATM 1600 O O   . HOH E 4 .   ? -15.573 -5.417  -13.491 1.00 25.51 ? 321 HOH B O   1 
HETATM 1601 O O   . HOH E 4 .   ? -32.876 1.121   -33.508 1.00 17.10 ? 322 HOH B O   1 
HETATM 1602 O O   . HOH E 4 .   ? -36.266 5.585   -15.901 1.00 20.18 ? 323 HOH B O   1 
HETATM 1603 O O   . HOH E 4 .   ? -42.930 -15.337 -10.150 1.00 18.64 ? 324 HOH B O   1 
HETATM 1604 O O   . HOH E 4 .   ? -19.278 -29.678 -15.615 1.00 26.63 ? 325 HOH B O   1 
HETATM 1605 O O   . HOH E 4 .   ? -30.760 -6.650  -11.299 1.00 12.03 ? 326 HOH B O   1 
HETATM 1606 O O   . HOH E 4 .   ? -36.714 -25.956 -23.777 1.00 28.15 ? 327 HOH B O   1 
HETATM 1607 O O   . HOH E 4 .   ? -26.130 3.490   -35.215 1.00 27.58 ? 328 HOH B O   1 
HETATM 1608 O O   . HOH E 4 .   ? -49.632 -1.657  -19.456 1.00 20.55 ? 329 HOH B O   1 
HETATM 1609 O O   . HOH E 4 .   ? -37.947 -14.277 -21.430 1.00 27.13 ? 330 HOH B O   1 
HETATM 1610 O O   . HOH E 4 .   ? -8.986  -13.487 -25.237 1.00 26.91 ? 331 HOH B O   1 
HETATM 1611 O O   . HOH E 4 .   ? -17.570 -21.297 -12.370 1.00 14.58 ? 332 HOH B O   1 
HETATM 1612 O O   . HOH E 4 .   ? -30.184 -23.862 -34.033 1.00 20.44 ? 333 HOH B O   1 
HETATM 1613 O O   . HOH E 4 .   ? -45.056 -12.293 -26.500 1.00 26.41 ? 334 HOH B O   1 
HETATM 1614 O O   . HOH E 4 .   ? -17.799 -19.861 -37.480 1.00 20.76 ? 335 HOH B O   1 
HETATM 1615 O O   . HOH E 4 .   ? -30.806 -20.273 -21.341 1.00 9.91  ? 336 HOH B O   1 
HETATM 1616 O O   . HOH E 4 .   ? -25.809 -22.667 -35.593 1.00 21.95 ? 337 HOH B O   1 
HETATM 1617 O O   . HOH E 4 .   ? -16.123 -19.637 -15.630 1.00 21.23 ? 338 HOH B O   1 
HETATM 1618 O O   . HOH E 4 .   ? -26.522 -25.675 -16.372 1.00 14.64 ? 339 HOH B O   1 
HETATM 1619 O O   . HOH E 4 .   ? -36.563 -23.058 -30.713 1.00 27.48 ? 340 HOH B O   1 
HETATM 1620 O O   . HOH E 4 .   ? -32.829 -18.193 -37.223 1.00 29.22 ? 341 HOH B O   1 
HETATM 1621 O O   . HOH E 4 .   ? -38.539 -7.608  -10.722 1.00 12.61 ? 342 HOH B O   1 
HETATM 1622 O O   . HOH E 4 .   ? -23.260 4.378   -24.592 1.00 20.39 ? 343 HOH B O   1 
HETATM 1623 O O   . HOH E 4 .   ? -28.403 -21.607 -8.954  1.00 14.95 ? 344 HOH B O   1 
HETATM 1624 O O   . HOH E 4 .   ? -21.154 -5.972  -2.071  1.00 42.91 ? 345 HOH B O   1 
HETATM 1625 O O   . HOH E 4 .   ? -38.724 -2.438  -21.319 1.00 11.59 ? 346 HOH B O   1 
HETATM 1626 O O   . HOH E 4 .   ? -34.055 -21.937 -31.352 1.00 15.78 ? 347 HOH B O   1 
HETATM 1627 O O   . HOH E 4 .   ? -47.138 1.227   -25.551 1.00 33.60 ? 348 HOH B O   1 
HETATM 1628 O O   . HOH E 4 .   ? -18.468 -4.605  -24.663 1.00 14.53 ? 349 HOH B O   1 
HETATM 1629 O O   . HOH E 4 .   ? -23.815 1.189   -10.678 1.00 31.80 ? 350 HOH B O   1 
HETATM 1630 O O   . HOH E 4 .   ? -9.449  -18.542 -30.196 1.00 38.00 ? 351 HOH B O   1 
HETATM 1631 O O   . HOH E 4 .   ? -17.594 -27.612 -19.609 1.00 15.05 ? 352 HOH B O   1 
HETATM 1632 O O   . HOH E 4 .   ? -37.249 -25.615 -11.351 1.00 33.77 ? 353 HOH B O   1 
HETATM 1633 O O   . HOH E 4 .   ? -40.862 -9.275  -36.685 1.00 21.01 ? 354 HOH B O   1 
HETATM 1634 O O   . HOH E 4 .   ? -40.675 -14.461 -8.484  1.00 25.55 ? 355 HOH B O   1 
HETATM 1635 O O   . HOH E 4 .   ? -30.695 1.230   -17.038 1.00 19.33 ? 356 HOH B O   1 
HETATM 1636 O O   . HOH E 4 .   ? -16.661 -5.588  -9.241  1.00 28.45 ? 357 HOH B O   1 
HETATM 1637 O O   . HOH E 4 .   ? -26.509 1.991   -10.991 1.00 24.11 ? 358 HOH B O   1 
HETATM 1638 O O   . HOH E 4 .   ? -19.343 -4.330  -22.055 1.00 12.24 ? 359 HOH B O   1 
HETATM 1639 O O   . HOH E 4 .   ? -36.180 -1.778  -33.747 1.00 15.45 ? 360 HOH B O   1 
HETATM 1640 O O   . HOH E 4 .   ? -40.201 -14.314 -31.377 1.00 12.26 ? 361 HOH B O   1 
HETATM 1641 O O   . HOH E 4 .   ? -10.874 -21.132 -25.102 1.00 25.60 ? 362 HOH B O   1 
HETATM 1642 O O   . HOH E 4 .   ? -19.159 -29.183 -23.461 1.00 21.01 ? 363 HOH B O   1 
HETATM 1643 O O   . HOH E 4 .   ? -26.721 -17.667 -7.740  1.00 13.26 ? 364 HOH B O   1 
HETATM 1644 O O   . HOH E 4 .   ? -41.711 1.523   -22.502 1.00 30.66 ? 365 HOH B O   1 
HETATM 1645 O O   . HOH E 4 .   ? -20.932 -16.371 -5.470  1.00 14.94 ? 366 HOH B O   1 
HETATM 1646 O O   . HOH E 4 .   ? -27.142 -20.281 -6.983  1.00 14.76 ? 367 HOH B O   1 
HETATM 1647 O O   . HOH E 4 .   ? -36.449 -0.950  -22.082 1.00 10.95 ? 368 HOH B O   1 
HETATM 1648 O O   . HOH E 4 .   ? -42.508 -5.752  -12.257 1.00 14.31 ? 369 HOH B O   1 
HETATM 1649 O O   . HOH E 4 .   ? -42.191 -3.894  -39.458 1.00 17.44 ? 370 HOH B O   1 
HETATM 1650 O O   . HOH E 4 .   ? -27.740 -27.460 -25.824 1.00 24.14 ? 371 HOH B O   1 
HETATM 1651 O O   . HOH E 4 .   ? -33.424 -1.807  -38.393 1.00 24.26 ? 372 HOH B O   1 
HETATM 1652 O O   . HOH E 4 .   ? -25.727 -14.197 -3.063  1.00 24.97 ? 373 HOH B O   1 
HETATM 1653 O O   . HOH E 4 .   ? -32.219 -4.937  -12.915 1.00 10.10 ? 374 HOH B O   1 
HETATM 1654 O O   . HOH E 4 .   ? -38.465 3.811   -42.271 1.00 21.76 ? 375 HOH B O   1 
HETATM 1655 O O   . HOH E 4 .   ? -13.372 -20.974 -35.103 1.00 27.87 ? 376 HOH B O   1 
HETATM 1656 O O   . HOH E 4 .   ? -41.548 -9.745  -43.783 1.00 27.11 ? 377 HOH B O   1 
HETATM 1657 O O   . HOH E 4 .   ? -23.326 2.320   -22.941 1.00 22.57 ? 378 HOH B O   1 
HETATM 1658 O O   . HOH E 4 .   ? -36.963 0.823   -15.531 1.00 13.83 ? 379 HOH B O   1 
HETATM 1659 O O   . HOH E 4 .   ? -35.429 -4.570  -42.149 1.00 19.10 ? 380 HOH B O   1 
HETATM 1660 O O   . HOH E 4 .   ? -10.270 -23.554 -21.869 1.00 25.99 ? 381 HOH B O   1 
HETATM 1661 O O   . HOH E 4 .   ? -17.913 -4.318  -5.912  1.00 35.49 ? 382 HOH B O   1 
HETATM 1662 O O   . HOH E 4 .   ? -23.680 -20.921 -38.938 1.00 19.02 ? 383 HOH B O   1 
HETATM 1663 O O   . HOH E 4 .   ? -40.950 -5.940  -38.044 1.00 21.63 ? 384 HOH B O   1 
HETATM 1664 O O   . HOH E 4 .   ? -33.128 -17.055 -4.098  1.00 18.11 ? 385 HOH B O   1 
HETATM 1665 O O   . HOH E 4 .   ? -35.555 -17.024 -8.182  1.00 28.36 ? 386 HOH B O   1 
HETATM 1666 O O   . HOH E 4 .   ? -43.710 -0.487  -24.287 1.00 22.50 ? 387 HOH B O   1 
HETATM 1667 O O   . HOH E 4 .   ? -19.660 1.820   -30.398 1.00 27.13 ? 388 HOH B O   1 
HETATM 1668 O O   . HOH E 4 .   ? -18.265 -17.268 -36.306 1.00 22.80 ? 389 HOH B O   1 
HETATM 1669 O O   . HOH E 4 .   ? -36.472 -0.247  -42.251 1.00 33.74 ? 390 HOH B O   1 
HETATM 1670 O O   . HOH E 4 .   ? -33.951 -21.828 -36.516 1.00 35.47 ? 391 HOH B O   1 
HETATM 1671 O O   . HOH E 4 .   ? -45.726 -14.645 -27.588 1.00 33.52 ? 392 HOH B O   1 
HETATM 1672 O O   . HOH E 4 .   ? -24.003 -12.346 -6.498  1.00 15.14 ? 393 HOH B O   1 
HETATM 1673 O O   . HOH E 4 .   ? -45.850 -4.243  -33.905 1.00 16.47 ? 394 HOH B O   1 
HETATM 1674 O O   . HOH E 4 .   ? -25.251 -10.421 -23.534 1.00 10.07 ? 395 HOH B O   1 
HETATM 1675 O O   . HOH E 4 .   ? -45.620 -19.616 -31.669 1.00 22.86 ? 396 HOH B O   1 
HETATM 1676 O O   . HOH E 4 .   ? -39.800 6.356   -26.190 1.00 35.58 ? 397 HOH B O   1 
HETATM 1677 O O   . HOH E 4 .   ? -24.807 -14.990 -6.809  1.00 12.70 ? 398 HOH B O   1 
HETATM 1678 O O   . HOH E 4 .   ? -33.310 -14.852 -6.950  1.00 18.27 ? 399 HOH B O   1 
HETATM 1679 O O   . HOH E 4 .   ? -40.716 6.310   -33.080 1.00 23.92 ? 400 HOH B O   1 
HETATM 1680 O O   . HOH E 4 .   ? -25.678 -26.934 -23.809 1.00 14.38 ? 401 HOH B O   1 
HETATM 1681 O O   . HOH E 4 .   ? -41.239 5.323   -28.358 1.00 23.88 ? 402 HOH B O   1 
HETATM 1682 O O   . HOH E 4 .   ? -9.261  -16.028 -26.452 1.00 23.53 ? 403 HOH B O   1 
HETATM 1683 O O   . HOH E 4 .   ? -18.099 -16.066 -6.121  1.00 19.00 ? 404 HOH B O   1 
HETATM 1684 O O   . HOH E 4 .   ? -9.286  -20.778 -28.837 1.00 25.97 ? 405 HOH B O   1 
HETATM 1685 O O   . HOH E 4 .   ? -14.934 -19.755 -37.516 1.00 20.72 ? 406 HOH B O   1 
HETATM 1686 O O   . HOH E 4 .   ? -12.612 -18.422 -34.685 1.00 32.26 ? 407 HOH B O   1 
HETATM 1687 O O   . HOH E 4 .   ? -41.493 -8.494  -13.262 1.00 15.67 ? 408 HOH B O   1 
HETATM 1688 O O   . HOH E 4 .   ? -24.919 -11.053 -4.116  1.00 20.25 ? 409 HOH B O   1 
HETATM 1689 O O   . HOH E 4 .   ? -31.401 3.426   -26.751 1.00 20.46 ? 410 HOH B O   1 
HETATM 1690 O O   . HOH E 4 .   ? -30.771 -17.382 -42.766 1.00 30.26 ? 411 HOH B O   1 
HETATM 1691 O O   . HOH E 4 .   ? -16.035 -14.653 -8.594  1.00 28.73 ? 412 HOH B O   1 
HETATM 1692 O O   . HOH E 4 .   ? -39.889 2.748   -16.079 1.00 13.20 ? 413 HOH B O   1 
HETATM 1693 O O   . HOH E 4 .   ? -13.175 -6.204  -29.144 1.00 27.95 ? 414 HOH B O   1 
HETATM 1694 O O   . HOH E 4 .   ? -42.297 -5.010  -43.690 1.00 18.78 ? 415 HOH B O   1 
HETATM 1695 O O   . HOH E 4 .   ? -30.925 4.102   -24.268 1.00 20.68 ? 416 HOH B O   1 
HETATM 1696 O O   . HOH E 4 .   ? -39.925 -11.509 -22.746 1.00 30.08 ? 417 HOH B O   1 
HETATM 1697 O O   . HOH E 4 .   ? -14.309 -16.416 -32.936 1.00 25.38 ? 418 HOH B O   1 
HETATM 1698 O O   . HOH E 4 .   ? -24.237 -4.236  -36.865 1.00 32.82 ? 419 HOH B O   1 
HETATM 1699 O O   . HOH E 4 .   ? -28.725 7.934   -29.977 1.00 27.19 ? 420 HOH B O   1 
HETATM 1700 O O   . HOH E 4 .   ? -17.843 -11.101 -35.594 1.00 23.04 ? 421 HOH B O   1 
HETATM 1701 O O   . HOH E 4 .   ? -52.366 -14.222 -28.937 1.00 40.08 ? 422 HOH B O   1 
HETATM 1702 O O   . HOH E 4 .   ? -40.295 -7.432  -34.687 1.00 19.26 ? 423 HOH B O   1 
HETATM 1703 O O   . HOH E 4 .   ? -34.268 -7.173  -7.936  1.00 25.19 ? 424 HOH B O   1 
HETATM 1704 O O   . HOH E 4 .   ? -24.972 7.125   -28.894 1.00 23.71 ? 425 HOH B O   1 
HETATM 1705 O O   . HOH E 4 .   ? -41.044 -8.716  -19.390 1.00 12.34 ? 426 HOH B O   1 
HETATM 1706 O O   . HOH E 4 .   ? -43.318 3.780   -18.841 1.00 17.95 ? 427 HOH B O   1 
HETATM 1707 O O   . HOH E 4 .   ? -38.702 3.933   -13.648 1.00 30.08 ? 428 HOH B O   1 
HETATM 1708 O O   . HOH E 4 .   ? -15.923 -12.159 -5.525  1.00 41.07 ? 429 HOH B O   1 
HETATM 1709 O O   . HOH E 4 .   ? -35.752 -3.048  -9.885  1.00 46.98 ? 430 HOH B O   1 
HETATM 1710 O O   . HOH E 4 .   ? -19.867 2.288   -23.972 1.00 33.65 ? 431 HOH B O   1 
HETATM 1711 O O   . HOH E 4 .   ? -34.648 -8.946  -6.099  1.00 38.44 ? 432 HOH B O   1 
HETATM 1712 O O   . HOH E 4 .   ? -16.028 -7.435  -11.259 1.00 24.67 ? 433 HOH B O   1 
HETATM 1713 O O   . HOH E 4 .   ? -32.733 -23.566 -33.390 1.00 31.80 ? 434 HOH B O   1 
HETATM 1714 O O   . HOH E 4 .   ? -47.669 0.000   -32.860 0.50 20.92 ? 435 HOH B O   1 
HETATM 1715 O O   . HOH E 4 .   ? -8.480  -22.914 -30.344 1.00 23.24 ? 436 HOH B O   1 
HETATM 1716 O O   . HOH E 4 .   ? -36.646 -6.565  -8.934  1.00 25.81 ? 437 HOH B O   1 
HETATM 1717 O O   . HOH E 4 .   ? -21.581 6.930   -32.248 1.00 25.03 ? 438 HOH B O   1 
HETATM 1718 O O   . HOH E 4 .   ? -26.251 -28.225 -21.463 1.00 29.86 ? 439 HOH B O   1 
HETATM 1719 O O   . HOH E 4 .   ? -41.506 -15.414 -17.696 1.00 43.90 ? 440 HOH B O   1 
HETATM 1720 O O   . HOH E 4 .   ? -40.173 5.157   -22.030 1.00 24.90 ? 441 HOH B O   1 
HETATM 1721 O O   . HOH E 4 .   ? -22.789 3.414   -20.558 1.00 35.74 ? 442 HOH B O   1 
HETATM 1722 O O   . HOH E 4 .   ? -15.891 -22.251 -14.486 1.00 25.01 ? 443 HOH B O   1 
HETATM 1723 O O   . HOH E 4 .   ? -36.687 2.219   -43.277 1.00 34.99 ? 444 HOH B O   1 
HETATM 1724 O O   . HOH E 4 .   ? -38.756 -16.573 -40.911 1.00 32.75 ? 445 HOH B O   1 
HETATM 1725 O O   . HOH E 4 .   ? -28.344 -27.647 -16.875 1.00 20.23 ? 446 HOH B O   1 
HETATM 1726 O O   . HOH E 4 .   ? -16.056 -26.899 -17.224 1.00 30.66 ? 447 HOH B O   1 
HETATM 1727 O O   . HOH E 4 .   ? -26.373 -31.065 -23.891 1.00 23.34 ? 448 HOH B O   1 
HETATM 1728 O O   . HOH E 4 .   ? -42.183 -12.957 -22.366 1.00 25.10 ? 449 HOH B O   1 
# 
