data_7HNZ
# 
_entry.id   7HNZ 
# 
_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   7HNZ         pdb_00007hnz 10.2210/pdb7hnz/pdb 
WWPDB D_1001407713 ?            ?                   
# 
_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                        7HNZ 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21' 21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                       62.068    2   ?        ? ? ? 
3 non-polymer syn N,N-dimethylpyridin-4-amine          122.168   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                        96.063    1   ?        ? ? ? 
5 water       nat water                                18.015    146 ?        ? ? ? 
# 
_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 N,N-dimethylpyridin-4-amine JGD 
4 'SULFATE ION'               SO4 
5 water                       HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                     ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                    ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                  ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'             ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                    ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL              'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE                   ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'             ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                     ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                   ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                       ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                  ?                 'C6 H13 N O2'    131.173 
JGD non-polymer         . N,N-dimethylpyridin-4-amine ?                 'C7 H10 N2'      122.168 
LEU 'L-peptide linking' y LEUCINE                     ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                      ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                  ?                 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE               ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                     ?                 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                      ?                 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'               ?                 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE                   ?                 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                  ?                 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                    ?                 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                      ?                 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        JGD 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   JGD 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 EDO 1   201 202 EDO EDO B . 
C 3 JGD 1   202 302 JGD LIG B . 
D 2 EDO 1   203 305 EDO EDO B . 
E 4 SO4 1   204 1   SO4 SO4 B . 
F 5 HOH 1   301 4   HOH HOH B . 
F 5 HOH 2   302 107 HOH HOH B . 
F 5 HOH 3   303 29  HOH HOH B . 
F 5 HOH 4   304 11  HOH HOH B . 
F 5 HOH 5   305 12  HOH HOH B . 
F 5 HOH 6   306 2   HOH HOH B . 
F 5 HOH 7   307 26  HOH HOH B . 
F 5 HOH 8   308 33  HOH HOH B . 
F 5 HOH 9   309 40  HOH HOH B . 
F 5 HOH 10  310 99  HOH HOH B . 
F 5 HOH 11  311 21  HOH HOH B . 
F 5 HOH 12  312 1   HOH HOH B . 
F 5 HOH 13  313 63  HOH HOH B . 
F 5 HOH 14  314 102 HOH HOH B . 
F 5 HOH 15  315 34  HOH HOH B . 
F 5 HOH 16  316 27  HOH HOH B . 
F 5 HOH 17  317 89  HOH HOH B . 
F 5 HOH 18  318 90  HOH HOH B . 
F 5 HOH 19  319 95  HOH HOH B . 
F 5 HOH 20  320 5   HOH HOH B . 
F 5 HOH 21  321 129 HOH HOH B . 
F 5 HOH 22  322 10  HOH HOH B . 
F 5 HOH 23  323 28  HOH HOH B . 
F 5 HOH 24  324 16  HOH HOH B . 
F 5 HOH 25  325 25  HOH HOH B . 
F 5 HOH 26  326 70  HOH HOH B . 
F 5 HOH 27  327 11  HOH HOH B . 
F 5 HOH 28  328 68  HOH HOH B . 
F 5 HOH 29  329 100 HOH HOH B . 
F 5 HOH 30  330 36  HOH HOH B . 
F 5 HOH 31  331 51  HOH HOH B . 
F 5 HOH 32  332 72  HOH HOH B . 
F 5 HOH 33  333 27  HOH HOH B . 
F 5 HOH 34  334 18  HOH HOH B . 
F 5 HOH 35  335 9   HOH HOH B . 
F 5 HOH 36  336 39  HOH HOH B . 
F 5 HOH 37  337 267 HOH HOH B . 
F 5 HOH 38  338 16  HOH HOH B . 
F 5 HOH 39  339 22  HOH HOH B . 
F 5 HOH 40  340 86  HOH HOH B . 
F 5 HOH 41  341 20  HOH HOH B . 
F 5 HOH 42  342 80  HOH HOH B . 
F 5 HOH 43  343 184 HOH HOH B . 
F 5 HOH 44  344 2   HOH HOH B . 
F 5 HOH 45  345 55  HOH HOH B . 
F 5 HOH 46  346 7   HOH HOH B . 
F 5 HOH 47  347 157 HOH HOH B . 
F 5 HOH 48  348 31  HOH HOH B . 
F 5 HOH 49  349 62  HOH HOH B . 
F 5 HOH 50  350 126 HOH HOH B . 
F 5 HOH 51  351 58  HOH HOH B . 
F 5 HOH 52  352 81  HOH HOH B . 
F 5 HOH 53  353 10  HOH HOH B . 
F 5 HOH 54  354 26  HOH HOH B . 
F 5 HOH 55  355 214 HOH HOH B . 
F 5 HOH 56  356 1   HOH HOH B . 
F 5 HOH 57  357 50  HOH HOH B . 
F 5 HOH 58  358 6   HOH HOH B . 
F 5 HOH 59  359 29  HOH HOH B . 
F 5 HOH 60  360 93  HOH HOH B . 
F 5 HOH 61  361 17  HOH HOH B . 
F 5 HOH 62  362 73  HOH HOH B . 
F 5 HOH 63  363 4   HOH HOH B . 
F 5 HOH 64  364 19  HOH HOH B . 
F 5 HOH 65  365 3   HOH HOH B . 
F 5 HOH 66  366 264 HOH HOH B . 
F 5 HOH 67  367 211 HOH HOH B . 
F 5 HOH 68  368 25  HOH HOH B . 
F 5 HOH 69  369 66  HOH HOH B . 
F 5 HOH 70  370 304 HOH HOH B . 
F 5 HOH 71  371 8   HOH HOH B . 
F 5 HOH 72  372 3   HOH HOH B . 
F 5 HOH 73  373 15  HOH HOH B . 
F 5 HOH 74  374 47  HOH HOH B . 
F 5 HOH 75  375 61  HOH HOH B . 
F 5 HOH 76  376 43  HOH HOH B . 
F 5 HOH 77  377 59  HOH HOH B . 
F 5 HOH 78  378 82  HOH HOH B . 
F 5 HOH 79  379 71  HOH HOH B . 
F 5 HOH 80  380 14  HOH HOH B . 
F 5 HOH 81  381 85  HOH HOH B . 
F 5 HOH 82  382 172 HOH HOH B . 
F 5 HOH 83  383 13  HOH HOH B . 
F 5 HOH 84  384 32  HOH HOH B . 
F 5 HOH 85  385 48  HOH HOH B . 
F 5 HOH 86  386 137 HOH HOH B . 
F 5 HOH 87  387 60  HOH HOH B . 
F 5 HOH 88  388 281 HOH HOH B . 
F 5 HOH 89  389 76  HOH HOH B . 
F 5 HOH 90  390 32  HOH HOH B . 
F 5 HOH 91  391 125 HOH HOH B . 
F 5 HOH 92  392 56  HOH HOH B . 
F 5 HOH 93  393 116 HOH HOH B . 
F 5 HOH 94  394 303 HOH HOH B . 
F 5 HOH 95  395 97  HOH HOH B . 
F 5 HOH 96  396 33  HOH HOH B . 
F 5 HOH 97  397 46  HOH HOH B . 
F 5 HOH 98  398 24  HOH HOH B . 
F 5 HOH 99  399 8   HOH HOH B . 
F 5 HOH 100 400 23  HOH HOH B . 
F 5 HOH 101 401 18  HOH HOH B . 
F 5 HOH 102 402 64  HOH HOH B . 
F 5 HOH 103 403 12  HOH HOH B . 
F 5 HOH 104 404 57  HOH HOH B . 
F 5 HOH 105 405 30  HOH HOH B . 
F 5 HOH 106 406 22  HOH HOH B . 
F 5 HOH 107 407 49  HOH HOH B . 
F 5 HOH 108 408 7   HOH HOH B . 
F 5 HOH 109 409 257 HOH HOH B . 
F 5 HOH 110 410 20  HOH HOH B . 
F 5 HOH 111 411 140 HOH HOH B . 
F 5 HOH 112 412 38  HOH HOH B . 
F 5 HOH 113 413 54  HOH HOH B . 
F 5 HOH 114 414 42  HOH HOH B . 
F 5 HOH 115 415 44  HOH HOH B . 
F 5 HOH 116 416 112 HOH HOH B . 
F 5 HOH 117 417 120 HOH HOH B . 
F 5 HOH 118 418 15  HOH HOH B . 
F 5 HOH 119 419 103 HOH HOH B . 
F 5 HOH 120 420 5   HOH HOH B . 
F 5 HOH 121 421 45  HOH HOH B . 
F 5 HOH 122 422 53  HOH HOH B . 
F 5 HOH 123 423 69  HOH HOH B . 
F 5 HOH 124 424 41  HOH HOH B . 
F 5 HOH 125 425 154 HOH HOH B . 
F 5 HOH 126 426 156 HOH HOH B . 
F 5 HOH 127 427 19  HOH HOH B . 
F 5 HOH 128 428 263 HOH HOH B . 
F 5 HOH 129 429 197 HOH HOH B . 
F 5 HOH 130 430 133 HOH HOH B . 
F 5 HOH 131 431 30  HOH HOH B . 
F 5 HOH 132 432 266 HOH HOH B . 
F 5 HOH 133 433 114 HOH HOH B . 
F 5 HOH 134 434 23  HOH HOH B . 
F 5 HOH 135 435 115 HOH HOH B . 
F 5 HOH 136 436 13  HOH HOH B . 
F 5 HOH 137 437 21  HOH HOH B . 
F 5 HOH 138 438 98  HOH HOH B . 
F 5 HOH 139 439 104 HOH HOH B . 
F 5 HOH 140 440 205 HOH HOH B . 
F 5 HOH 141 441 127 HOH HOH B . 
F 5 HOH 142 442 166 HOH HOH B . 
F 5 HOH 143 443 14  HOH HOH B . 
F 5 HOH 144 444 270 HOH HOH B . 
F 5 HOH 145 445 131 HOH HOH B . 
F 5 HOH 146 446 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HNZ 
_cell.length_a           95.337 
_cell.length_b           95.337 
_cell.length_c           45.757 
_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                         7HNZ 
_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          7HNZ 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.90 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-04 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HNZ 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.400 
_reflns.d_resolution_high            1.150 
_reflns.number_obs                   57933 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         78.800 
_reflns.pdbx_Rmerge_I_obs            0.044 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        25.900 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              10.100 
_reflns.pdbx_Rrim_I_all              0.046 
_reflns.pdbx_Rpim_I_all              0.013 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     586812 
_reflns.pdbx_scaling_rejects         0 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.150 1.170  ? 325  303 ? 0.563 ? ? ? 1.100  ? 0.700  ? ? ? ? ? ? 8.500  0.797 0.563 0.175 
1 2 6.280 67.400 ? 6238 490 ? 0.035 ? ? ? 12.700 ? 99.100 ? ? ? ? ? ? 99.900 0.036 0.011 0.981 
# 
_refine.entry_id                                 7HNZ 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.1500 
_refine.ls_d_res_low                             67.4100 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    78.7900 
_refine.ls_number_reflns_obs                     55144 
_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                          0.1749 
_refine.ls_R_factor_R_work                       0.1742 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1891 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2788 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               14.0880 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1100 
_refine.aniso_B[2][2]                            0.1100 
_refine.aniso_B[3][3]                            -0.2300 
_refine.aniso_B[1][2]                            0.0000 
_refine.aniso_B[1][3]                            0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9680 
_refine.correlation_coeff_Fo_to_Fc_free          0.9640 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0440 
_refine.pdbx_overall_ESU_R_Free                  0.0450 
_refine.overall_SU_ML                            0.0300 
_refine.overall_SU_B                             0.6780 
_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                                59.760 
_refine.B_iso_min                                7.260 
_refine.pdbx_overall_phase_error                 ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_R_free_error_details         ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.1500 
_refine_hist.d_res_low                        67.4100 
_refine_hist.pdbx_number_atoms_ligand         22 
_refine_hist.number_atoms_solvent             146 
_refine_hist.number_atoms_total               1661 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           29.32 
_refine_hist.pdbx_B_iso_mean_solvent          24.00 
_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       2049 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1630 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2566 1.853  1.632  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3758 1.443  1.579  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  7.189  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 110  27.785 21.182 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 288  11.484 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.488 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         220  0.088  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2294 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     518  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            969  1.242  1.242  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.202  1.235  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 1.932  1.863  ? ? 
# 
_refine_ls_shell.d_res_high                       1.1470 
_refine_ls_shell.d_res_low                        1.1770 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               12.0000 
_refine_ls_shell.number_reflns_R_work             608 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3260 
_refine_ls_shell.R_factor_R_free                  0.2820 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             35 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                643 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNZ 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1245793018' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNZ 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 2 ? 
E N N 4 ? 
F N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HNZ 
_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 7HNZ MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNZ HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNZ HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNZ HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNZ HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNZ HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNZ HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNZ MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -1.04 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HNZ 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
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 ? ? 123.39 120.30 3.09  0.50 N 
2 1 NE B ARG 38 ? ? CZ B ARG 38 ? ? NH2 B ARG 38 ? ? 117.08 120.30 -3.22 0.50 N 
3 1 CG B ARG 64 ? ? CD B ARG 64 ? ? NE  B ARG 64 ? ? 129.95 111.80 18.15 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  ? ? 72.97   34.47 
2 1 ASP B 152 ? ? -103.29 52.55 
# 
_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     433 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   F 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
JGD C01  C N N 193 
JGD N02  N N N 194 
JGD C03  C N N 195 
JGD C04  C Y N 196 
JGD C05  C Y N 197 
JGD C06  C Y N 198 
JGD N07  N Y N 199 
JGD C08  C Y N 200 
JGD C09  C Y N 201 
JGD H011 H N N 202 
JGD H012 H N N 203 
JGD H013 H N N 204 
JGD H032 H N N 205 
JGD H033 H N N 206 
JGD H031 H N N 207 
JGD H051 H N N 208 
JGD H061 H N N 209 
JGD H081 H N N 210 
JGD H091 H N N 211 
LEU N    N N N 212 
LEU CA   C N S 213 
LEU C    C N N 214 
LEU O    O N N 215 
LEU CB   C N N 216 
LEU CG   C N N 217 
LEU CD1  C N N 218 
LEU CD2  C N N 219 
LEU OXT  O N N 220 
LEU H    H N N 221 
LEU H2   H N N 222 
LEU HA   H N N 223 
LEU HB2  H N N 224 
LEU HB3  H N N 225 
LEU HG   H N N 226 
LEU HD11 H N N 227 
LEU HD12 H N N 228 
LEU HD13 H N N 229 
LEU HD21 H N N 230 
LEU HD22 H N N 231 
LEU HD23 H N N 232 
LEU HXT  H N N 233 
LYS N    N N N 234 
LYS CA   C N S 235 
LYS C    C N N 236 
LYS O    O N N 237 
LYS CB   C N N 238 
LYS CG   C N N 239 
LYS CD   C N N 240 
LYS CE   C N N 241 
LYS NZ   N N N 242 
LYS OXT  O N N 243 
LYS H    H N N 244 
LYS H2   H N N 245 
LYS HA   H N N 246 
LYS HB2  H N N 247 
LYS HB3  H N N 248 
LYS HG2  H N N 249 
LYS HG3  H N N 250 
LYS HD2  H N N 251 
LYS HD3  H N N 252 
LYS HE2  H N N 253 
LYS HE3  H N N 254 
LYS HZ1  H N N 255 
LYS HZ2  H N N 256 
LYS HZ3  H N N 257 
LYS HXT  H N N 258 
MET N    N N N 259 
MET CA   C N S 260 
MET C    C N N 261 
MET O    O N N 262 
MET CB   C N N 263 
MET CG   C N N 264 
MET SD   S N N 265 
MET CE   C N N 266 
MET OXT  O N N 267 
MET H    H N N 268 
MET H2   H N N 269 
MET HA   H N N 270 
MET HB2  H N N 271 
MET HB3  H N N 272 
MET HG2  H N N 273 
MET HG3  H N N 274 
MET HE1  H N N 275 
MET HE2  H N N 276 
MET HE3  H N N 277 
MET HXT  H N N 278 
PHE N    N N N 279 
PHE CA   C N S 280 
PHE C    C N N 281 
PHE O    O N N 282 
PHE CB   C N N 283 
PHE CG   C Y N 284 
PHE CD1  C Y N 285 
PHE CD2  C Y N 286 
PHE CE1  C Y N 287 
PHE CE2  C Y N 288 
PHE CZ   C Y N 289 
PHE OXT  O N N 290 
PHE H    H N N 291 
PHE H2   H N N 292 
PHE HA   H N N 293 
PHE HB2  H N N 294 
PHE HB3  H N N 295 
PHE HD1  H N N 296 
PHE HD2  H N N 297 
PHE HE1  H N N 298 
PHE HE2  H N N 299 
PHE HZ   H N N 300 
PHE HXT  H N N 301 
PRO N    N N N 302 
PRO CA   C N S 303 
PRO C    C N N 304 
PRO O    O N N 305 
PRO CB   C N N 306 
PRO CG   C N N 307 
PRO CD   C N N 308 
PRO OXT  O N N 309 
PRO H    H N N 310 
PRO HA   H N N 311 
PRO HB2  H N N 312 
PRO HB3  H N N 313 
PRO HG2  H N N 314 
PRO HG3  H N N 315 
PRO HD2  H N N 316 
PRO HD3  H N N 317 
PRO HXT  H N N 318 
SER N    N N N 319 
SER CA   C N S 320 
SER C    C N N 321 
SER O    O N N 322 
SER CB   C N N 323 
SER OG   O N N 324 
SER OXT  O N N 325 
SER H    H N N 326 
SER H2   H N N 327 
SER HA   H N N 328 
SER HB2  H N N 329 
SER HB3  H N N 330 
SER HG   H N N 331 
SER HXT  H N N 332 
SO4 S    S N N 333 
SO4 O1   O N N 334 
SO4 O2   O N N 335 
SO4 O3   O N N 336 
SO4 O4   O N N 337 
THR N    N N N 338 
THR CA   C N S 339 
THR C    C N N 340 
THR O    O N N 341 
THR CB   C N R 342 
THR OG1  O N N 343 
THR CG2  C N N 344 
THR OXT  O N N 345 
THR H    H N N 346 
THR H2   H N N 347 
THR HA   H N N 348 
THR HB   H N N 349 
THR HG1  H N N 350 
THR HG21 H N N 351 
THR HG22 H N N 352 
THR HG23 H N N 353 
THR HXT  H N N 354 
TRP N    N N N 355 
TRP CA   C N S 356 
TRP C    C N N 357 
TRP O    O N N 358 
TRP CB   C N N 359 
TRP CG   C Y N 360 
TRP CD1  C Y N 361 
TRP CD2  C Y N 362 
TRP NE1  N Y N 363 
TRP CE2  C Y N 364 
TRP CE3  C Y N 365 
TRP CZ2  C Y N 366 
TRP CZ3  C Y N 367 
TRP CH2  C Y N 368 
TRP OXT  O N N 369 
TRP H    H N N 370 
TRP H2   H N N 371 
TRP HA   H N N 372 
TRP HB2  H N N 373 
TRP HB3  H N N 374 
TRP HD1  H N N 375 
TRP HE1  H N N 376 
TRP HE3  H N N 377 
TRP HZ2  H N N 378 
TRP HZ3  H N N 379 
TRP HH2  H N N 380 
TRP HXT  H N N 381 
TYR N    N N N 382 
TYR CA   C N S 383 
TYR C    C N N 384 
TYR O    O N N 385 
TYR CB   C N N 386 
TYR CG   C Y N 387 
TYR CD1  C Y N 388 
TYR CD2  C Y N 389 
TYR CE1  C Y N 390 
TYR CE2  C Y N 391 
TYR CZ   C Y N 392 
TYR OH   O N N 393 
TYR OXT  O N N 394 
TYR H    H N N 395 
TYR H2   H N N 396 
TYR HA   H N N 397 
TYR HB2  H N N 398 
TYR HB3  H N N 399 
TYR HD1  H N N 400 
TYR HD2  H N N 401 
TYR HE1  H N N 402 
TYR HE2  H N N 403 
TYR HH   H N N 404 
TYR HXT  H N N 405 
VAL N    N N N 406 
VAL CA   C N S 407 
VAL C    C N N 408 
VAL O    O N N 409 
VAL CB   C N N 410 
VAL CG1  C N N 411 
VAL CG2  C N N 412 
VAL OXT  O N N 413 
VAL H    H N N 414 
VAL H2   H N N 415 
VAL HA   H N N 416 
VAL HB   H N N 417 
VAL HG11 H N N 418 
VAL HG12 H N N 419 
VAL HG13 H N N 420 
VAL HG21 H N N 421 
VAL HG22 H N N 422 
VAL HG23 H N N 423 
VAL HXT  H N N 424 
# 
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 
JGD C03 N02  sing N N 182 
JGD C09 C08  doub Y N 183 
JGD C09 C04  sing Y N 184 
JGD C08 N07  sing Y N 185 
JGD N02 C04  sing N N 186 
JGD N02 C01  sing N N 187 
JGD C04 C05  doub Y N 188 
JGD N07 C06  doub Y N 189 
JGD C05 C06  sing Y N 190 
JGD C01 H011 sing N N 191 
JGD C01 H012 sing N N 192 
JGD C01 H013 sing N N 193 
JGD C03 H032 sing N N 194 
JGD C03 H033 sing N N 195 
JGD C03 H031 sing N N 196 
JGD C05 H051 sing N N 197 
JGD C06 H061 sing N N 198 
JGD C08 H081 sing N N 199 
JGD C09 H091 sing N N 200 
LEU N   CA   sing N N 201 
LEU N   H    sing N N 202 
LEU N   H2   sing N N 203 
LEU CA  C    sing N N 204 
LEU CA  CB   sing N N 205 
LEU CA  HA   sing N N 206 
LEU C   O    doub N N 207 
LEU C   OXT  sing N N 208 
LEU CB  CG   sing N N 209 
LEU CB  HB2  sing N N 210 
LEU CB  HB3  sing N N 211 
LEU CG  CD1  sing N N 212 
LEU CG  CD2  sing N N 213 
LEU CG  HG   sing N N 214 
LEU CD1 HD11 sing N N 215 
LEU CD1 HD12 sing N N 216 
LEU CD1 HD13 sing N N 217 
LEU CD2 HD21 sing N N 218 
LEU CD2 HD22 sing N N 219 
LEU CD2 HD23 sing N N 220 
LEU OXT HXT  sing N N 221 
LYS N   CA   sing N N 222 
LYS N   H    sing N N 223 
LYS N   H2   sing N N 224 
LYS CA  C    sing N N 225 
LYS CA  CB   sing N N 226 
LYS CA  HA   sing N N 227 
LYS C   O    doub N N 228 
LYS C   OXT  sing N N 229 
LYS CB  CG   sing N N 230 
LYS CB  HB2  sing N N 231 
LYS CB  HB3  sing N N 232 
LYS CG  CD   sing N N 233 
LYS CG  HG2  sing N N 234 
LYS CG  HG3  sing N N 235 
LYS CD  CE   sing N N 236 
LYS CD  HD2  sing N N 237 
LYS CD  HD3  sing N N 238 
LYS CE  NZ   sing N N 239 
LYS CE  HE2  sing N N 240 
LYS CE  HE3  sing N N 241 
LYS NZ  HZ1  sing N N 242 
LYS NZ  HZ2  sing N N 243 
LYS NZ  HZ3  sing N N 244 
LYS OXT HXT  sing N N 245 
MET N   CA   sing N N 246 
MET N   H    sing N N 247 
MET N   H2   sing N N 248 
MET CA  C    sing N N 249 
MET CA  CB   sing N N 250 
MET CA  HA   sing N N 251 
MET C   O    doub N N 252 
MET C   OXT  sing N N 253 
MET CB  CG   sing N N 254 
MET CB  HB2  sing N N 255 
MET CB  HB3  sing N N 256 
MET CG  SD   sing N N 257 
MET CG  HG2  sing N N 258 
MET CG  HG3  sing N N 259 
MET SD  CE   sing N N 260 
MET CE  HE1  sing N N 261 
MET CE  HE2  sing N N 262 
MET CE  HE3  sing N N 263 
MET OXT HXT  sing N N 264 
PHE N   CA   sing N N 265 
PHE N   H    sing N N 266 
PHE N   H2   sing N N 267 
PHE CA  C    sing N N 268 
PHE CA  CB   sing N N 269 
PHE CA  HA   sing N N 270 
PHE C   O    doub N N 271 
PHE C   OXT  sing N N 272 
PHE CB  CG   sing N N 273 
PHE CB  HB2  sing N N 274 
PHE CB  HB3  sing N N 275 
PHE CG  CD1  doub Y N 276 
PHE CG  CD2  sing Y N 277 
PHE CD1 CE1  sing Y N 278 
PHE CD1 HD1  sing N N 279 
PHE CD2 CE2  doub Y N 280 
PHE CD2 HD2  sing N N 281 
PHE CE1 CZ   doub Y N 282 
PHE CE1 HE1  sing N N 283 
PHE CE2 CZ   sing Y N 284 
PHE CE2 HE2  sing N N 285 
PHE CZ  HZ   sing N N 286 
PHE OXT HXT  sing N N 287 
PRO N   CA   sing N N 288 
PRO N   CD   sing N N 289 
PRO N   H    sing N N 290 
PRO CA  C    sing N N 291 
PRO CA  CB   sing N N 292 
PRO CA  HA   sing N N 293 
PRO C   O    doub N N 294 
PRO C   OXT  sing N N 295 
PRO CB  CG   sing N N 296 
PRO CB  HB2  sing N N 297 
PRO CB  HB3  sing N N 298 
PRO CG  CD   sing N N 299 
PRO CG  HG2  sing N N 300 
PRO CG  HG3  sing N N 301 
PRO CD  HD2  sing N N 302 
PRO CD  HD3  sing N N 303 
PRO OXT HXT  sing N N 304 
SER N   CA   sing N N 305 
SER N   H    sing N N 306 
SER N   H2   sing N N 307 
SER CA  C    sing N N 308 
SER CA  CB   sing N N 309 
SER CA  HA   sing N N 310 
SER C   O    doub N N 311 
SER C   OXT  sing N N 312 
SER CB  OG   sing N N 313 
SER CB  HB2  sing N N 314 
SER CB  HB3  sing N N 315 
SER OG  HG   sing N N 316 
SER OXT HXT  sing N N 317 
SO4 S   O1   doub N N 318 
SO4 S   O2   doub N N 319 
SO4 S   O3   sing N N 320 
SO4 S   O4   sing N N 321 
THR N   CA   sing N N 322 
THR N   H    sing N N 323 
THR N   H2   sing N N 324 
THR CA  C    sing N N 325 
THR CA  CB   sing N N 326 
THR CA  HA   sing N N 327 
THR C   O    doub N N 328 
THR C   OXT  sing N N 329 
THR CB  OG1  sing N N 330 
THR CB  CG2  sing N N 331 
THR CB  HB   sing N N 332 
THR OG1 HG1  sing N N 333 
THR CG2 HG21 sing N N 334 
THR CG2 HG22 sing N N 335 
THR CG2 HG23 sing N N 336 
THR OXT HXT  sing N N 337 
TRP N   CA   sing N N 338 
TRP N   H    sing N N 339 
TRP N   H2   sing N N 340 
TRP CA  C    sing N N 341 
TRP CA  CB   sing N N 342 
TRP CA  HA   sing N N 343 
TRP C   O    doub N N 344 
TRP C   OXT  sing N N 345 
TRP CB  CG   sing N N 346 
TRP CB  HB2  sing N N 347 
TRP CB  HB3  sing N N 348 
TRP CG  CD1  doub Y N 349 
TRP CG  CD2  sing Y N 350 
TRP CD1 NE1  sing Y N 351 
TRP CD1 HD1  sing N N 352 
TRP CD2 CE2  doub Y N 353 
TRP CD2 CE3  sing Y N 354 
TRP NE1 CE2  sing Y N 355 
TRP NE1 HE1  sing N N 356 
TRP CE2 CZ2  sing Y N 357 
TRP CE3 CZ3  doub Y N 358 
TRP CE3 HE3  sing N N 359 
TRP CZ2 CH2  doub Y N 360 
TRP CZ2 HZ2  sing N N 361 
TRP CZ3 CH2  sing Y N 362 
TRP CZ3 HZ3  sing N N 363 
TRP CH2 HH2  sing N N 364 
TRP OXT HXT  sing N N 365 
TYR N   CA   sing N N 366 
TYR N   H    sing N N 367 
TYR N   H2   sing N N 368 
TYR CA  C    sing N N 369 
TYR CA  CB   sing N N 370 
TYR CA  HA   sing N N 371 
TYR C   O    doub N N 372 
TYR C   OXT  sing N N 373 
TYR CB  CG   sing N N 374 
TYR CB  HB2  sing N N 375 
TYR CB  HB3  sing N N 376 
TYR CG  CD1  doub Y N 377 
TYR CG  CD2  sing Y N 378 
TYR CD1 CE1  sing Y N 379 
TYR CD1 HD1  sing N N 380 
TYR CD2 CE2  doub Y N 381 
TYR CD2 HD2  sing N N 382 
TYR CE1 CZ   doub Y N 383 
TYR CE1 HE1  sing N N 384 
TYR CE2 CZ   sing Y N 385 
TYR CE2 HE2  sing N N 386 
TYR CZ  OH   sing N N 387 
TYR OH  HH   sing N N 388 
TYR OXT HXT  sing N N 389 
VAL N   CA   sing N N 390 
VAL N   H    sing N N 391 
VAL N   H2   sing N N 392 
VAL CA  C    sing N N 393 
VAL CA  CB   sing N N 394 
VAL CA  HA   sing N N 395 
VAL C   O    doub N N 396 
VAL C   OXT  sing N N 397 
VAL CB  CG1  sing N N 398 
VAL CB  CG2  sing N N 399 
VAL CB  HB   sing N N 400 
VAL CG1 HG11 sing N N 401 
VAL CG1 HG12 sing N N 402 
VAL CG1 HG13 sing N N 403 
VAL CG2 HG21 sing N N 404 
VAL CG2 HG22 sing N N 405 
VAL CG2 HG23 sing N N 406 
VAL OXT HXT  sing N N 407 
# 
_pdbx_audit_support.ordinal                1 
_pdbx_audit_support.funding_organization   'European Union (EU)' 
_pdbx_audit_support.grant_number           875510 
_pdbx_audit_support.country                'European Union' 
# 
_pdbx_deposit_group.group_id            G_1002320 
_pdbx_deposit_group.group_description   
;PRYSPRY domain of murine TRIM21 screened against the DSI-poised Fragment Library by X-ray Crystallography at the XChem facility of Diamon Light Source
;
_pdbx_deposit_group.group_title         'PanDDA analysis group deposition' 
_pdbx_deposit_group.group_type          'changed state' 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2VOK 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    7HNZ 
_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]   0.021855 
_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   ? -13.350 -12.613 -9.858  1.00 50.62 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.836 -13.316 -11.090 1.00 46.04 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.698 -12.505 -11.722 1.00 43.76 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.553 -11.299 -11.396 1.00 45.02 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.977 -13.581 -12.098 1.00 39.96 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.513 -12.359 -12.771 1.00 34.52 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.909 -11.804 -13.889 1.00 34.52 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.593 -11.592 -12.509 1.00 32.17 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.590 -10.736 -14.272 1.00 32.40 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.622 -10.565 -13.426 1.00 27.67 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.956 -13.134 -12.634 1.00 39.58 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.799  -12.539 -13.353 1.00 38.79 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -9.990  -12.654 -14.875 1.00 33.59 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -8.976  -12.837 -15.576 1.00 34.99 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.512  -13.181 -12.797 1.00 45.72 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.374  -12.958 -11.322 1.00 53.83 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.069  -11.712 -10.784 1.00 56.07 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.554  -13.786 -10.268 1.00 58.62 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -8.046  -11.792 -9.468  1.00 57.66 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.334  -13.056 -9.126  1.00 59.76 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.232 -12.486 -15.377 1.00 27.78 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.622 -12.680 -16.807 1.00 22.88 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.600 -11.345 -17.560 1.00 24.09 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.750 -11.352 -18.789 1.00 21.53 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.024 -13.321 -16.948 1.00 24.44 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.170 -14.675 -16.347 1.00 25.71 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.287 -15.717 -16.598 1.00 23.81 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.114 -15.177 -15.519 1.00 25.01 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.677 -16.790 -15.931 1.00 28.77 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.794 -16.483 -15.277 1.00 28.01 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.385 -10.228 -16.866 1.00 25.74 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.517 -8.863  -17.433 1.00 26.57 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.627 -8.673  -18.665 1.00 24.27 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.075 -7.972  -19.579 1.00 25.49 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.226 -7.774  -16.380 1.00 31.67 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.069 -7.899  -15.160 1.00 37.10 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.686 -8.681  -14.074 1.00 42.12 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.282 -7.381  -14.855 1.00 39.27 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.626 -8.628  -13.143 1.00 42.02 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.622 -7.838  -13.600 1.00 41.09 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.431  -9.280  -18.728 1.00 23.70 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.479  -9.106  -19.855 1.00 25.25 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.003  -9.729  -21.154 1.00 23.01 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.396  -9.470  -22.196 1.00 24.77 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.096  -9.670  -19.497 1.00 29.39 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.105  -11.102 -19.098 1.00 27.74 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.537  -12.098 -19.889 1.00 34.10 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.569  -11.720 -17.992 1.00 28.81 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.667  -13.260 -19.286 1.00 28.15 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.299  -13.062 -18.125 1.00 33.26 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.053 -10.567 -21.130 1.00 19.27 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.723 -11.110 -22.345 1.00 17.22 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.828 -10.180 -22.834 1.00 15.37 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.635 -10.631 -23.639 1.00 14.36 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.287 -12.487 -22.063 1.00 16.77 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.230 -13.465 -21.662 1.00 17.15 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.204  -13.812 -22.531 1.00 17.34 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.063 -14.169 -20.529 1.00 18.06 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.415  -14.656 -21.906 1.00 18.50 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.911  -14.919 -20.700 1.00 19.51 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.909 -8.976  -22.300 1.00 15.25 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.945 -7.980  -22.672 1.00 17.69 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.033 -7.842  -24.184 1.00 16.95 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -11.987 -7.655  -24.897 1.00 19.98 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.621 -6.606  -22.079 1.00 20.99 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.657 -5.521  -22.355 1.00 26.63 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.221 -5.740  -21.423 1.00 38.17 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.749 -5.065  -19.836 1.00 32.09 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.243 -7.821  -24.703 1.00 14.99 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.536 -7.570  -26.134 1.00 16.31 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.525 -6.401  -26.214 1.00 15.84 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.394 -6.263  -25.348 1.00 15.89 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.052 -8.813  -26.877 1.00 17.04 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -13.966 -9.857  -27.023 1.00 20.36 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.265 -9.435  -26.221 1.00 18.48 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.425 -5.612  -27.274 1.00 15.85 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.311 -4.459  -27.542 1.00 16.23 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.533 -4.946  -28.317 1.00 16.50 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.436 -5.290  -29.490 1.00 20.18 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.548 -3.394  -28.325 1.00 17.55 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.316 -2.124  -28.473 1.00 21.27 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.398 -1.202  -27.467 1.00 24.31 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.062 -1.655  -29.495 1.00 24.81 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.130 -0.178  -27.871 1.00 23.00 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.562 -0.440  -29.116 1.00 27.48 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.648 -5.090  -27.624 1.00 13.13 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.897 -5.570  -28.246 1.00 13.26 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.691 -4.363  -28.777 1.00 13.07 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.774 -3.370  -28.102 1.00 13.10 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.721 -6.373  -27.223 1.00 13.05 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.920 -7.585  -26.721 1.00 14.21 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.058 -6.807  -27.824 1.00 13.14 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.340 -8.494  -27.802 1.00 14.05 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.309 -4.548  -29.924 1.00 12.72 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.285 -3.571  -30.487 1.00 13.55 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.548 -4.337  -30.856 1.00 14.12 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.499 -5.561  -31.153 1.00 15.01 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.709 -2.775  -31.655 1.00 15.42 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.349 -3.667  -32.693 1.00 17.82 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.544 -1.890  -31.256 1.00 16.90 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.683 -3.630  -30.830 1.00 12.20 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -25.987 -4.270  -31.121 1.00 12.45 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.269 -4.258  -32.616 1.00 12.30 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -25.937 -3.253  -33.308 1.00 14.00 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.048 -3.505  -30.357 1.00 12.21 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.861 -3.601  -28.861 1.00 11.85 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.830 -2.685  -28.115 1.00 14.17 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -26.988 -5.044  -28.355 1.00 13.83 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.858 -5.309  -33.121 1.00 11.34 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.227 -5.483  -34.549 1.00 11.96 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.717 -5.090  -34.728 1.00 12.44 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.597 -5.877  -34.435 1.00 11.68 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -26.957 -6.913  -35.008 1.00 12.32 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.247 -7.191  -36.472 1.00 14.92 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.880 -6.306  -37.118 1.00 15.44 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -26.958 -8.305  -36.988 1.00 16.10 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -28.922 -3.861  -35.230 0.25 13.35 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -28.951 -3.866  -35.221 0.25 13.80 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.243 -3.229  -35.518 0.25 14.24 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.311 -3.283  -35.420 0.25 14.84 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.155 -4.179  -36.282 0.25 13.79 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.181 -4.201  -36.279 0.25 14.24 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.373 -4.167  -36.026 0.25 13.65 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.408 -4.217  -36.068 0.25 14.03 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.066 -1.974  -36.386 0.25 15.69 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.232 -1.906  -36.095 0.25 17.23 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.260 -0.877  -35.708 0.25 17.70 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.866 -0.772  -35.152 0.25 19.59 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.170 0.395   -36.539 0.25 18.16 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.463 -0.232  -35.372 0.25 22.30 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.641 1.460   -35.709 0.25 18.93 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.321 0.719   -36.479 0.25 23.71 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.334 2.045   -34.754 0.25 18.80 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.905 0.416   -37.711 0.25 26.89 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.587 1.689   -34.556 0.25 19.95 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.608 -0.828  -38.040 0.25 28.56 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.785 2.986   -34.014 0.25 19.65 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.808 1.363   -38.626 0.25 28.41 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.596 -4.919  -37.237 1.00 13.13 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.380 -5.768  -38.144 1.00 14.78 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.083 -6.895  -37.407 1.00 13.29 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.059 -7.420  -37.911 1.00 13.07 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.511 -6.244  -39.310 1.00 17.88 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.319 -5.149  -40.337 1.00 24.90 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.105 -4.207  -40.406 1.00 32.02 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.255 -5.256  -41.112 1.00 36.83 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.538 -7.319  -36.244 1.00 11.39 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.072 -8.440  -35.456 1.00 10.88 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.122 -7.961  -34.453 1.00 10.33 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.803 -8.801  -33.843 1.00 10.51 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -30.985 -9.228  -34.706 1.00 11.38 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.431 -8.413  -33.672 1.00 11.72 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -29.968 -9.802  -35.684 1.00 11.99 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.187 -6.664  -34.233 1.00 10.23 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -33.990 -6.101  -33.118 1.00 10.57 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.479 -6.297  -33.374 1.00 10.78 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -35.994 -6.031  -34.502 1.00 12.29 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.700 -4.649  -32.938 1.00 11.68 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.240 -6.603  -32.370 1.00 10.37 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.697 -6.408  -32.406 1.00 10.37 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -37.983 -4.968  -32.845 1.00 9.72  ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.277 -4.036  -32.496 1.00 9.70  ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.255 -6.740  -31.032 1.00 11.44 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.730 -6.479  -30.931 1.00 12.28 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.177 -5.368  -30.667 1.00 12.55 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.481 -7.507  -31.187 1.00 15.93 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.060 -4.824  -33.611 1.00 9.98  ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.434 -3.546  -34.259 1.00 10.51 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.809 -2.473  -33.246 1.00 10.71 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -39.911 -1.309  -33.715 1.00 11.48 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.584 -3.759  -35.225 1.00 11.81 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.694 -4.258  -34.510 1.00 13.62 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.014 -2.735  -31.971 1.00 9.67  ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.307 -1.697  -30.966 1.00 10.42 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.050 -1.179  -30.258 1.00 10.24 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.166 -0.271  -29.434 1.00 11.00 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.313 -2.229  -29.966 1.00 11.34 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.713 -2.343  -30.500 1.00 11.25 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.115 -2.850  -31.698 1.00 11.46 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.888 -1.910  -29.817 1.00 13.02 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.485 -2.763  -31.798 1.00 13.29 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -44.973 -2.239  -30.657 1.00 12.56 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.127 -1.310  -28.579 1.00 15.47 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.296 -1.949  -30.287 1.00 15.83 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.441 -1.067  -28.198 1.00 17.89 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.499 -1.410  -29.037 1.00 18.23 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.888 -1.801  -30.543 1.00 10.23 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.669 -1.386  -29.805 1.00 10.63 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.072 -0.132  -30.437 1.00 10.91 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.072 0.063   -31.650 1.00 11.60 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.647 -2.522  -29.813 1.00 10.29 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.085 -3.792  -29.088 1.00 10.82 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -34.981 -4.836  -29.101 1.00 11.16 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.519 -3.554  -27.669 1.00 11.47 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.447 0.624   -29.567 1.00 10.68 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.666 1.838   -29.927 1.00 12.37 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.225 1.613   -29.482 1.00 12.03 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -32.945 1.504   -28.271 1.00 12.22 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.237 3.072   -29.268 1.00 12.23 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.697 3.323   -29.708 1.00 12.92 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.372 4.302   -29.607 1.00 14.42 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.380 4.382   -28.951 1.00 15.37 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.356 1.541   -30.467 1.00 14.13 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.893 1.355   -30.235 1.00 13.96 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.152 2.666   -30.416 1.00 14.83 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.455 3.449   -31.388 1.00 15.91 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.385 0.285   -31.175 1.00 14.88 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -30.951 -1.069  -30.779 1.00 17.79 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.850 0.211   -31.191 1.00 16.19 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.748 -2.072  -31.753 1.00 18.80 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.293 3.042   -29.504 1.00 15.12 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.564 4.314   -29.570 1.00 15.67 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.660 4.391   -30.807 1.00 13.80 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.292 3.393   -31.384 1.00 14.17 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.839 4.497   -28.314 1.00 15.67 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.892 3.442   -28.136 1.00 15.72 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.261 5.638   -31.146 1.00 16.52 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.345 5.886   -32.288 1.00 16.84 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.077 5.040   -32.150 1.00 15.40 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.610 4.539   -33.183 1.00 17.03 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -25.979 7.377   -32.369 1.00 18.40 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.074 7.716   -33.532 1.00 20.46 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.244 9.146   -33.956 1.00 22.33 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -24.846 10.060  -32.828 1.00 27.35 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.349 11.412  -33.069 1.00 30.57 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.497 4.988   -30.953 1.00 15.73 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.241 4.210   -30.768 1.00 14.89 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.487 2.683   -30.776 1.00 14.54 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.508 1.938   -30.657 1.00 14.52 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.466 4.686   -29.544 1.00 16.70 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.140 4.450   -28.204 1.00 16.39 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.246 3.813   -28.192 1.00 16.65 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.541 4.842   -27.188 1.00 18.80 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.713 2.193   -30.880 1.00 13.01 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.082 0.759   -30.875 1.00 13.19 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.658 0.101   -29.557 1.00 11.04 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.498 -1.146  -29.553 1.00 12.46 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.564 0.052   -32.127 1.00 16.70 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.185 0.647   -33.388 1.00 21.32 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.843 -0.042  -34.671 1.00 27.76 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.425 -0.263  -34.876 1.00 34.77 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.763 -1.443  -34.801 1.00 45.00 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.361 -2.606  -34.519 1.00 37.98 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.455 -1.442  -35.030 1.00 50.69 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.614 0.848   -28.494 1.00 10.55 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.232 0.308   -27.171 1.00 11.39 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.381 0.292   -26.173 1.00 11.95 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.220 -0.291  -25.074 1.00 13.10 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.057 1.095   -26.591 1.00 12.49 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.801 1.015   -27.448 1.00 14.61 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -20.966 -0.212  -27.194 1.00 15.57 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.211 -0.054  -25.955 1.00 16.35 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.478 -1.002  -25.360 1.00 15.34 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.390 -2.176  -25.918 1.00 16.05 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.832 -0.731  -24.254 1.00 17.55 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.524 0.901   -26.472 1.00 10.97 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.684 0.934   -25.574 1.00 11.93 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -28.942 0.534   -26.325 1.00 11.24 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.078 0.819   -27.536 1.00 12.37 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.890 2.340   -24.998 1.00 14.24 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.635 2.943   -24.412 1.00 16.78 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -26.969 4.191   -23.628 1.00 20.22 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.128 4.448   -23.274 1.00 24.02 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -25.967 5.017   -23.405 1.00 23.60 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.887 -0.069  -25.623 1.00 10.49 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.188 -0.449  -26.218 1.00 10.72 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.262 -0.286  -25.155 1.00 10.87 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.082 -0.653  -23.994 1.00 10.18 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.124 -1.858  -26.818 1.00 10.39 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.697 -2.926  -25.798 1.00 10.28 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.440 -2.230  -27.483 1.00 11.20 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.406 0.246   -25.574 1.00 10.69 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.602 0.299   -24.716 1.00 11.09 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.861 -0.006  -25.544 1.00 10.85 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.864 0.078   -26.761 1.00 10.28 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.731 1.657   -24.034 1.00 12.39 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -34.964 2.795   -25.006 1.00 14.22 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.919 4.106   -24.225 1.00 17.27 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.214 5.228   -25.095 1.00 22.22 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.417 5.694   -25.372 1.00 18.61 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.524 5.168   -24.890 1.00 21.59 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.489 6.732   -26.209 1.00 23.77 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.912 -0.312  -24.787 0.25 10.37 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -36.934 -0.436  -24.875 0.25 11.68 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.280 -0.554  -25.303 0.25 10.98 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.215 -0.700  -25.594 0.25 12.84 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.914 0.794   -25.675 0.25 11.08 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.006 0.603   -25.674 0.25 12.40 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.959 1.703   -24.835 0.25 11.59 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.323 1.193   -24.590 0.25 12.07 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.105 -1.282  -24.234 0.25 10.87 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.108 -1.777  -24.960 0.25 14.83 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.460 -1.802  -24.724 0.25 12.22 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.440 -2.031  -25.755 0.25 15.97 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.321 -2.868  -26.227 0.25 14.18 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.214 -3.540  -25.147 0.25 18.28 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -41.919 -3.671  -26.290 0.25 13.96 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.565 -3.684  -26.315 0.25 18.89 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.333 0.951   -26.924 1.00 12.00 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.146 2.124   -27.269 1.00 13.37 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.601 1.887   -26.918 1.00 14.76 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -41.998 0.810   -26.461 1.00 15.14 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.387 2.982   -26.960 1.00 17.85 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.836 2.897   -26.582 1.00 19.84 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.668 2.546   -27.837 1.00 17.79 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.914 2.418   -27.705 1.00 18.53 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.311 4.153   -25.807 1.00 23.58 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.827 4.295   -24.349 1.00 31.26 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.606 3.254   -23.668 1.00 34.76 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.719 5.453   -23.863 1.00 35.73 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.053 2.272   -28.975 1.00 14.56 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.736 1.981   -30.268 1.00 14.55 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.783 1.308   -31.262 1.00 12.58 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.500 1.305   -31.047 1.00 12.19 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.290 3.328   -30.717 1.00 16.64 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.202 3.077   -31.756 1.00 17.25 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.214 4.291   -31.175 1.00 17.86 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.286 0.853   -32.413 1.00 12.25 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.454 0.361   -33.530 1.00 11.88 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.511 1.467   -33.977 1.00 12.53 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -42.976 2.626   -34.174 1.00 12.45 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.387 -0.141  -34.621 1.00 11.43 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.776 -0.797  -35.786 1.00 11.16 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -42.977 -0.146  -36.718 1.00 11.60 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.912 -2.071  -36.235 1.00 11.94 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.648 -0.986  -37.670 1.00 11.84 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.209 -2.226  -37.393 1.00 12.29 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.245 1.148   -34.211 1.00 11.45 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.222 2.167   -34.493 1.00 11.63 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.053 2.447   -35.988 1.00 12.12 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.030 3.063   -36.376 1.00 13.66 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.912 1.775   -33.791 1.00 11.36 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.028 1.834   -32.293 1.00 11.87 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.512 3.158   -31.768 1.00 12.55 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.455 3.277   -30.977 1.00 15.66 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.886 4.224   -32.224 1.00 11.43 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -40.987 2.005   -36.817 1.00 11.98 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.090 2.464   -38.231 1.00 11.55 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -39.985 1.875   -39.076 1.00 12.43 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.547 2.474   -40.052 1.00 14.21 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.102 3.995   -38.385 1.00 11.76 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.770 4.419   -39.678 1.00 11.52 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.660 3.762   -40.219 1.00 10.92 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.327 5.552   -40.226 1.00 11.68 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.583 0.647   -38.778 1.00 14.24 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.623 -0.177  -39.568 1.00 15.37 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.392 -1.205  -40.419 1.00 15.21 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.434 -1.645  -40.004 1.00 14.41 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.601 -0.882  -38.635 1.00 16.33 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.693 0.107   -37.926 1.00 19.06 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.237 -1.794  -37.600 1.00 16.97 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.826 -1.651  -41.538 1.00 16.33 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.372 -2.768  -42.327 1.00 16.91 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.163 -4.082  -41.579 1.00 14.11 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.188 -4.210  -40.772 1.00 15.09 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.727 -2.845  -43.701 1.00 19.59 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.319 -2.983  -43.583 1.00 22.05 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -39.980 -5.069  -41.835 1.00 15.42 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.812 -6.418  -41.252 1.00 15.24 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.740 -7.169  -42.039 1.00 16.42 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.456 -6.827  -43.213 1.00 17.07 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.137 -7.163  -41.211 1.00 16.93 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.023 -8.424  -40.399 1.00 20.48 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.343 -8.414  -39.297 1.00 17.36 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -41.463 -9.456  -40.966 1.00 25.35 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.126 -8.161  -41.390 1.00 15.28 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.141 -9.048  -42.044 1.00 15.87 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.058 -10.328 -41.229 1.00 15.94 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.651 -10.429 -40.126 1.00 16.33 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.798 -8.370  -42.224 1.00 15.94 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.052 -8.159  -40.919 1.00 15.51 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -34.878 -9.123  -40.151 1.00 17.39 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.639 -6.980  -40.591 1.00 15.09 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.495 -11.351 -41.832 1.00 16.99 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.504 -12.699 -41.223 1.00 17.54 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.589 -12.762 -39.979 1.00 15.40 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.776 -13.734 -39.205 1.00 17.42 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.032 -13.750 -42.233 1.00 21.84 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.600 -13.570 -42.679 1.00 26.42 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.229 -14.437 -43.866 1.00 35.59 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.732 -14.529 -44.052 1.00 39.23 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.394 -15.663 -44.944 1.00 45.37 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.687 -11.819 -39.786 1.00 14.88 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.772 -11.813 -38.602 1.00 14.48 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.474 -11.257 -37.350 1.00 13.93 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.033 -11.606 -36.217 1.00 14.89 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.554 -10.964 -38.879 1.00 16.96 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.680 -11.387 -40.060 1.00 20.65 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.515 -10.408 -40.197 1.00 25.81 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.485 -9.630  -41.195 1.00 32.51 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.644 -10.354 -39.298 1.00 29.48 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.528 -10.441 -37.451 1.00 12.44 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.060 -9.748  -36.247 1.00 11.99 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.775 -10.695 -35.325 1.00 12.01 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.623 -11.499 -35.726 1.00 12.12 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.064 -8.673  -36.670 1.00 11.80 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.467 -7.539  -37.479 1.00 12.83 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.405 -6.295  -37.434 1.00 11.96 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -36.898 -5.275  -38.314 1.00 13.57 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.808 -4.553  -38.095 1.00 12.83 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.203 -4.579  -36.909 1.00 12.39 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.325 -3.734  -39.034 1.00 15.18 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.486 -10.610 -34.036 1.00 10.73 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.307 -11.313 -33.040 1.00 10.50 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.715 -10.697 -33.045 1.00 11.99 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.882 -9.508  -32.785 1.00 12.91 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.706 -11.203 -31.648 1.00 9.52  ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.479 -12.070 -31.478 1.00 9.79  ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.598 -13.428 -31.234 1.00 9.87  ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.207 -11.528 -31.556 1.00 10.44 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.475 -14.237 -31.093 1.00 10.66 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.075 -12.345 -31.398 1.00 10.38 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.238 -13.688 -31.155 1.00 9.93  ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.740 -11.493 -33.303 1.00 12.27 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.128 -10.966 -33.514 1.00 13.44 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -41.884 -10.870 -32.210 1.00 13.59 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.682 -9.887  -32.064 1.00 16.03 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.878 -11.813 -34.535 1.00 14.41 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.012 -13.145 -34.096 1.00 14.47 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.741 -11.788 -31.280 1.00 12.33 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.693 -11.926 -30.153 1.00 13.63 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.211 -11.291 -28.853 1.00 12.92 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.007 -11.135 -27.915 1.00 14.98 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.016 -13.379 -29.868 1.00 15.88 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -43.924 -14.021 -30.916 1.00 17.70 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.747 -13.848 -32.124 1.00 20.61 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.951 -14.686 -30.418 1.00 22.45 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -40.923 -10.960 -28.747 1.00 11.31 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.303 -10.481 -27.484 1.00 10.54 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.351 -9.340  -27.801 1.00 9.82  ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.832 -9.250  -28.908 1.00 10.32 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.520 -11.619 -26.819 1.00 10.96 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.227 -12.950 -26.739 1.00 11.86 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.213 -13.143 -25.783 1.00 14.13 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.938 -14.022 -27.578 1.00 12.71 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.863 -14.364 -25.647 1.00 15.72 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.647 -15.208 -27.519 1.00 12.53 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.583 -15.392 -26.524 1.00 14.08 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.199 -16.611 -26.448 1.00 15.75 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.038 -8.479  -26.812 1.00 9.84  ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.177 -7.319  -27.019 1.00 10.35 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.661 -7.637  -27.009 1.00 8.72  ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.902 -7.131  -26.222 1.00 9.30  ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.577 -6.342  -25.879 1.00 11.55 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.773 -6.956  -25.221 1.00 12.94 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.690 -8.417  -25.499 1.00 10.48 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.281 -8.511  -27.952 1.00 8.79  ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -34.952 -9.136  -28.035 1.00 8.32  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.145 -8.540  -29.180 1.00 8.60  ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.654 -8.052  -30.210 1.00 9.43  ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.085 -10.633 -28.217 1.00 8.59  ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.628 -11.316 -27.004 1.00 8.71  ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.111 -13.032 -27.436 1.00 10.25 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.757 -13.646 -25.888 1.00 11.26 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.816 -8.603  -29.025 1.00 8.78  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.831 -8.140  -30.023 1.00 9.20  ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.543 -8.930  -29.815 1.00 9.10  ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.233 -9.320  -28.658 1.00 9.62  ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.616 -6.613  -29.966 1.00 9.79  ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.088 -6.159  -28.623 1.00 9.89  ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.743 -6.106  -31.118 1.00 10.12 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.766 -9.105  -30.871 1.00 8.89  ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.449 -9.768  -30.799 1.00 8.94  ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.317 -8.771  -30.906 1.00 9.26  ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.436 -7.711  -31.626 1.00 10.74 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.267 -10.804 -31.902 1.00 10.29 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.341 -11.862 -31.912 1.00 10.14 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.076 -12.927 -32.972 1.00 12.30 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.540 -12.521 -30.556 1.00 10.38 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.160 -9.092  -30.319 1.00 9.93  ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.890 -8.422  -30.705 1.00 10.26 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.482 -8.752  -32.145 1.00 10.18 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.819 -9.791  -32.645 1.00 10.93 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.736 -7.842  -32.769 1.00 11.46 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.239 -8.039  -34.152 1.00 13.20 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.121 -9.082  -34.190 1.00 13.40 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -21.964 -9.789  -35.201 1.00 16.90 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.761 -6.733  -34.691 1.00 14.58 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.382 -9.183  -33.102 1.00 12.64 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.180 -10.057 -33.065 1.00 13.16 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.582 -11.536 -33.043 1.00 13.77 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.611 -11.923 -32.427 1.00 14.53 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.319 -9.686  -31.851 1.00 15.21 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.642 -8.336  -31.962 1.00 16.99 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.591 -7.164  -31.802 1.00 16.67 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.541 -7.242  -31.027 1.00 15.54 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.333 -6.071  -32.488 1.00 18.78 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.851 -12.381 -33.759 1.00 14.13 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -19.989 -13.847 -33.772 1.00 13.71 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.727 -14.471 -33.206 1.00 12.64 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.618 -14.015 -33.557 1.00 15.83 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.143 -14.432 -35.192 1.00 17.12 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.504 -14.283 -35.878 1.00 24.85 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.116 -12.915 -35.664 1.00 25.06 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -22.866 -12.061 -36.595 1.00 27.86 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.597 -12.431 -37.635 1.00 26.92 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.224 -11.502 -38.343 1.00 30.80 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.665 -13.691 -38.001 1.00 28.15 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.886 -15.415 -32.318 1.00 11.50 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.729 -16.090 -31.687 1.00 12.33 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.796 -17.582 -31.955 1.00 11.62 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.804 -18.226 -31.729 1.00 11.71 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.770 -15.864 -30.166 1.00 13.39 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.820 -14.395 -29.764 1.00 15.28 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.840 -13.554 -30.261 1.00 17.93 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.823 -13.838 -28.999 1.00 21.77 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.788 -12.202 -29.961 1.00 20.72 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.768 -12.471 -28.677 1.00 18.17 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.799 -11.672 -29.217 1.00 19.18 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.678 -18.155 -32.423 0.25 11.93 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.681 -18.148 -32.432 0.25 11.74 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.580 -19.601 -32.757 0.25 12.42 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.544 -19.598 -32.729 0.25 12.08 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.372 -20.267 -32.071 0.25 12.27 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.280 -20.171 -32.091 0.25 12.25 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.225 -21.502 -32.201 0.25 12.14 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.854 -21.250 -32.490 0.25 10.73 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.603 -19.809 -34.264 0.25 12.94 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.500 -19.841 -34.200 0.25 12.32 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -17.942 -19.661 -34.771 0.25 14.21 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.453 -19.083 -34.751 0.25 13.20 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.593 -19.498 -31.303 0.25 11.65 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.667 -19.446 -31.171 0.25 12.68 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.405 -19.965 -30.537 0.25 11.98 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.391 -19.862 -30.552 0.25 13.85 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.098 -18.971 -29.408 0.25 12.55 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.011 -18.874 -29.455 0.25 13.55 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.726 -17.920 -29.372 0.25 12.77 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.451 -17.706 -29.539 0.25 13.32 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.195 -20.111 -31.459 0.25 12.30 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.300 -19.921 -31.601 0.25 15.20 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.717 -18.845 -31.886 0.25 12.40 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.132 -20.496 -31.050 0.25 18.87 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.148 -19.304 -28.534 1.00 14.14 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.553 -18.351 -27.593 1.00 14.82 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.398 -18.072 -26.359 1.00 11.92 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.387 -18.746 -26.080 1.00 13.62 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.888 -17.086 -25.654 1.00 12.14 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.476 -16.586 -24.406 1.00 12.04 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.911 -15.153 -24.643 1.00 12.43 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.117 -14.337 -25.145 1.00 13.95 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.457 -16.717 -23.280 1.00 13.65 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.054 -18.143 -22.943 1.00 13.72 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.915  -18.217 -21.883 1.00 16.05 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.594  -19.627 -21.435 1.00 18.96 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.519  -19.644 -20.405 1.00 20.75 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.100 -14.823 -24.181 1.00 11.37 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.718 -13.497 -24.397 1.00 11.12 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.386 -13.039 -23.106 1.00 10.92 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -15.955 -13.880 -22.397 1.00 11.50 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.818 -13.572 -25.445 1.00 11.36 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.374 -13.735 -26.875 1.00 12.58 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.656 -15.310 -27.411 1.00 13.90 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.906 -16.481 -26.977 1.00 14.38 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.348 -11.746 -22.816 1.00 11.23 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -15.960 -11.173 -21.598 1.00 10.97 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.583 -9.840  -21.978 1.00 11.15 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.948 -9.016  -22.686 1.00 12.02 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.902 -10.980 -20.508 1.00 12.28 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.411 -10.363 -19.236 1.00 11.89 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.136 -11.122 -18.349 1.00 11.65 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.227 -9.011  -18.942 1.00 12.08 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.658 -10.590 -17.171 1.00 12.74 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.752 -8.467  -17.777 1.00 11.89 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.464 -9.244  -16.894 1.00 12.48 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.008 -8.701  -15.757 1.00 13.73 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.771 -9.554  -21.456 1.00 10.14 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.365 -8.194  -21.560 1.00 10.35 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.260 -7.963  -20.346 1.00 10.25 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.605 -8.891  -19.619 1.00 10.87 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.103 -8.009  -22.918 1.00 10.04 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.265 -8.905  -23.175 1.00 9.65  ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.590 -8.604  -22.989 1.00 9.89  ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.267 -10.211 -23.744 1.00 10.56 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.401 -9.634  -23.374 1.00 9.85  ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.607 -10.654 -23.831 1.00 10.15 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.252 -11.091 -24.143 1.00 11.66 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -21.959 -11.893 -24.335 1.00 10.52 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.595 -12.324 -24.662 1.00 13.52 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.922 -12.740 -24.717 1.00 12.52 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.650 -6.701  -20.193 1.00 10.14 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.497 -6.236  -19.074 1.00 9.95  ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.713 -5.453  -19.557 1.00 9.73  ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.631 -4.756  -20.544 1.00 10.70 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.712 -5.403  -18.075 1.00 11.72 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.627 -6.214  -17.380 1.00 14.01 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.793 -5.456  -16.373 1.00 16.34 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -17.985 -4.218  -16.250 1.00 21.38 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.933 -6.117  -15.683 1.00 14.95 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.821 -5.663  -18.858 1.00 9.94  ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.097 -5.021  -19.199 1.00 10.14 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.636 -4.350  -17.956 1.00 9.82  ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.772 -4.978  -16.900 1.00 11.08 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.103 -6.036  -19.750 1.00 9.66  ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.338 -5.307  -20.209 1.00 11.13 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.491 -6.913  -20.834 1.00 10.30 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.074 -3.096  -18.119 1.00 10.06 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.750 -2.296  -17.073 1.00 11.07 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.235 -2.591  -17.113 1.00 9.56  ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.871 -2.440  -18.220 1.00 10.55 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.492 -0.785  -17.241 1.00 12.75 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.856 0.004   -15.992 1.00 14.85 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -26.978 -0.006  -15.618 1.00 14.73 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -24.929 0.423   -15.263 1.00 18.72 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.819 -2.970  -15.975 1.00 9.91  ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.268 -3.298  -15.813 1.00 10.71 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -29.957 -2.392  -14.769 1.00 11.08 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.009 -2.755  -14.261 1.00 11.47 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.417 -4.812  -15.468 1.00 10.41 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.875 -5.757  -16.573 1.00 10.42 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.793 -5.204  -14.138 1.00 11.48 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.308 -1.299  -14.405 1.00 11.76 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.819 -0.376  -13.375 1.00 12.98 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.304 -0.058  -13.586 1.00 12.51 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.746 0.295   -14.686 1.00 12.95 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.009 0.918   -13.405 1.00 13.84 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.623 0.674   -13.117 1.00 15.77 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.538 1.935   -12.415 1.00 16.07 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.020 -0.209  -12.485 1.00 15.16 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.453 0.114   -12.253 1.00 17.74 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.397 -0.662  -13.162 1.00 17.04 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.608 -0.357  -13.178 1.00 22.36 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.717 1.616   -12.304 1.00 24.64 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.459 2.276   -13.640 1.00 29.43 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.524 3.293   -13.980 1.00 33.03 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.250 4.318   -14.606 1.00 35.12 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.770 2.960   -13.659 1.00 38.24 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -33.970 -1.720  -13.823 1.00 12.74 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.919 -2.588  -14.536 1.00 11.28 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.627 -3.580  -13.624 1.00 10.54 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -34.982 -4.141  -12.697 1.00 12.14 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.178 -3.278  -15.679 1.00 11.79 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.750 -2.295  -16.795 1.00 11.62 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.251 -2.945  -18.063 1.00 11.68 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.329 -3.656  -18.847 1.00 11.08 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.534 -2.824  -19.158 1.00 9.73  ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.856 -3.903  -13.967 1.00 9.42  ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.656 -4.927  -13.278 1.00 9.22  ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.576 -6.289  -13.956 1.00 9.23  ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -37.933 -7.285  -13.370 1.00 10.46 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.132 -4.509  -13.265 1.00 10.32 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.465 -3.290  -12.442 1.00 11.47 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.923 -2.841  -12.596 1.00 11.01 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.334 -2.025  -11.758 1.00 14.39 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.631 -3.365  -13.464 1.00 12.56 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.242 -6.333  -15.242 1.00 9.45  ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.226 -7.573  -16.015 1.00 9.37  ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.231 -7.420  -17.149 1.00 9.78  ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.201 -6.388  -17.855 1.00 9.50  ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.587 -7.898  -16.554 1.00 10.34 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.511 -8.505  -17.442 1.00 8.74  ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.536 -8.597  -18.563 1.00 8.13  ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.053 -10.024 -18.661 1.00 8.53  ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.135 -10.801 -17.682 1.00 9.19  ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.359 -7.639  -18.369 1.00 8.96  ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.699 -7.681  -17.033 1.00 9.66  ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.891 -6.820  -15.997 1.00 10.23 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.736 -8.628  -16.509 1.00 9.52  ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.123 -7.108  -14.919 1.00 10.14 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.410 -8.252  -15.197 1.00 10.15 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.107 -9.789  -17.031 1.00 10.10 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.501 -8.931  -14.396 1.00 10.19 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.216 -10.489 -16.230 1.00 10.45 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -29.898 -10.037 -14.936 1.00 10.92 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.552 -10.380 -19.824 1.00 8.36  ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.783 -11.637 -20.043 1.00 8.69  ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.424 -11.265 -20.632 1.00 8.45  ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.378 -10.370 -21.504 1.00 8.83  ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.482 -12.620 -20.988 1.00 10.54 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.965 -12.830 -20.825 1.00 11.57 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.401 -12.827 -19.693 1.00 13.76 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.659 -13.009 -21.882 1.00 13.26 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.362 -11.960 -20.246 1.00 7.80  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.011 -11.720 -20.784 1.00 8.17  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.287 -13.034 -20.972 1.00 7.63  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.417 -13.950 -20.152 1.00 8.13  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.181 -10.864 -19.832 1.00 8.89  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.535 -9.381  -19.713 1.00 10.09 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.706 -8.748  -18.597 1.00 10.47 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.325 -8.678  -21.028 1.00 10.24 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.453 -13.084 -21.998 1.00 7.26  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.502 -14.201 -22.138 1.00 7.93  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.933 -14.266 -23.537 1.00 7.50  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.533 -13.234 -24.118 1.00 8.15  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.881 -15.495 -24.052 0.25 7.85  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.914 -15.463 -24.092 0.25 8.08  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.479 -15.788 -25.456 0.25 7.83  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.318 -15.707 -25.430 0.25 8.15  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.458 -16.761 -26.083 0.25 8.24  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.210 -16.791 -26.064 0.25 8.50  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.193 -17.505 -25.402 0.25 8.48  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.777 -17.579 -25.300 0.25 8.87  ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.073 -16.388 -25.594 0.25 8.02  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.828 -16.075 -25.247 0.25 8.65  ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.053 -15.352 -25.203 0.25 7.71  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.670 -17.433 -24.572 0.25 8.70  ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.900 -17.684 -24.813 0.25 7.83  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.039 -16.002 -26.542 0.25 9.19  ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.387 -16.803 -27.397 1.00 8.69  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.195 -17.784 -28.091 1.00 9.64  ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.534 -18.196 -29.394 1.00 9.36  ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.674 -17.491 -29.923 1.00 9.15  ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.594 -17.229 -28.352 1.00 10.75 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.701 -15.838 -29.496 1.00 10.45 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -26.980 -19.318 -29.924 0.25 9.46  ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -26.957 -19.342 -29.918 0.25 9.26  ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.545 -19.710 -31.282 0.25 9.89  ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.518 -19.804 -31.265 0.25 9.59  ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -26.981 -18.665 -32.305 0.25 9.58  ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.023 -18.821 -32.336 0.25 9.62  ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.031 -18.020 -32.182 0.25 9.00  ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.198 -18.384 -32.254 0.25 10.01 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.179 -21.035 -31.677 0.25 10.73 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.067 -21.209 -31.540 0.25 9.99  ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.819 -22.138 -30.706 0.25 11.47 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.328 -21.970 -32.634 0.25 9.88  ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.326 -23.463 -31.207 0.25 12.64 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.917 -23.338 -32.923 0.25 10.27 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -26.955 -24.542 -30.305 0.25 12.19 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.781 -24.165 -31.752 0.25 10.25 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.778 -25.513 -29.970 0.25 13.25 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.795 -24.721 -31.100 0.25 10.15 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.002 -25.528 -30.457 0.25 13.59 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.021 -24.650 -31.570 0.25 11.32 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.375 -26.460 -29.151 0.25 14.28 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.557 -25.393 -29.992 0.25 10.22 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.191 -18.529 -33.350 1.00 10.52 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.588 -17.639 -34.450 1.00 11.61 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.885 -18.135 -35.065 1.00 12.56 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.647 -17.266 -35.591 1.00 15.25 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.491 -17.571 -35.515 1.00 13.57 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.092 -18.855 -36.198 1.00 15.08 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.571 -19.946 -35.780 1.00 17.73 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.306 -18.733 -37.189 1.00 18.54 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.211 -19.411 -35.039 1.00 11.29 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.390 -19.936 -35.756 1.00 12.96 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.626 -20.145 -34.863 1.00 11.89 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.524 -20.852 -35.269 1.00 13.01 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -28.989 -21.184 -36.437 1.00 16.07 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.567 -22.119 -35.519 1.00 15.83 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.696 -19.494 -33.698 1.00 11.19 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.925 -19.596 -32.883 1.00 11.18 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.125 -19.082 -33.699 1.00 10.83 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.016 -18.154 -34.515 1.00 11.73 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.821 -18.838 -31.541 1.00 10.68 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.807 -19.500 -30.623 1.00 10.82 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.602 -17.357 -31.680 1.00 10.97 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.249 -19.707 -33.418 1.00 12.37 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.599 -19.273 -33.892 1.00 14.03 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.819 -17.787 -33.582 1.00 12.53 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.519 -17.332 -32.488 1.00 13.38 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.627 -20.133 -33.154 1.00 15.79 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.101 -19.832 -33.453 1.00 18.66 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.009 -20.671 -32.556 1.00 21.76 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.599 -21.670 -31.924 1.00 23.19 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.280 -20.292 -32.445 1.00 25.21 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.362 -17.039 -34.530 1.00 11.82 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.646 -15.577 -34.380 1.00 11.59 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.152 -15.358 -34.243 1.00 12.56 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.536 -14.343 -33.643 1.00 12.68 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.106 -14.757 -35.531 1.00 12.17 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.645 -14.999 -35.843 1.00 12.39 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.718 -14.706 -34.637 1.00 12.45 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.357 -15.201 -34.934 1.00 13.55 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.452 -14.507 -35.580 1.00 12.61 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.715 -13.281 -35.969 1.00 15.08 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.278 -15.033 -35.867 1.00 15.42 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -38.989 -16.204 -34.841 1.00 12.38 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.445 -15.918 -34.997 1.00 13.03 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.262 -16.803 -34.094 1.00 13.96 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.897 -18.014 -33.934 1.00 15.69 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.873 -16.138 -36.451 1.00 13.23 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.064 -15.372 -37.463 1.00 14.24 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -39.999 -13.851 -37.213 1.00 15.33 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.205 -13.189 -38.300 1.00 15.55 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.129 -11.714 -38.151 1.00 15.14 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.321 -16.274 -33.503 1.00 14.48 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.203 -17.093 -32.677 1.00 14.87 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.713 -17.224 -31.245 1.00 16.52 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.732 -16.497 -30.821 1.00 15.84 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.376 -18.100 -30.515 1.00 16.68 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.110 -18.345 -29.090 1.00 17.82 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.053 -19.431 -28.919 1.00 17.76 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -41.971 -20.354 -29.747 1.00 17.71 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.401 -18.780 -28.392 1.00 20.88 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.394 -17.637 -28.350 1.00 28.18 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.759 -18.103 -27.939 1.00 36.13 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.158 -17.928 -26.789 1.00 45.71 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.455 -18.728 -28.881 1.00 41.81 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.192 -19.259 -27.914 1.00 14.83 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.176 -20.260 -27.555 1.00 14.43 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.669 -19.990 -26.150 1.00 14.50 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.814 -18.885 -25.623 1.00 15.65 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.007 -20.211 -28.541 1.00 14.45 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.360 -18.851 -28.689 1.00 13.64 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.362 -18.442 -27.798 1.00 14.12 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.716 -17.981 -29.709 1.00 13.66 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.731 -17.219 -27.938 1.00 13.95 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.091 -16.754 -29.843 1.00 13.04 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.103 -16.372 -28.959 1.00 13.52 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.120 -21.020 -25.509 0.25 14.80 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.104 -21.039 -25.553 0.25 14.12 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.482 -20.893 -24.176 0.25 15.27 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.443 -21.015 -24.227 0.25 14.27 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -36.972 -20.734 -24.346 0.25 13.87 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -36.958 -20.684 -24.406 0.25 13.25 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.376 -21.343 -25.265 0.25 13.37 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.364 -21.068 -25.453 0.25 12.87 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.779 -22.059 -23.293 0.25 17.46 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.635 -22.331 -23.519 0.25 15.05 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.408 -23.256 -23.943 0.25 20.03 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.007 -22.507 -23.173 0.25 16.70 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.383 -19.976 -23.430 1.00 12.59 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.934 -19.801 -23.363 1.00 13.06 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.345 -21.004 -22.672 1.00 12.86 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.476 -21.189 -21.458 1.00 14.78 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.560 -18.535 -22.603 1.00 12.92 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.064 -17.249 -23.228 1.00 13.86 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.680 -16.049 -22.344 1.00 14.39 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.555 -17.061 -24.651 1.00 15.01 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.657 -21.860 -23.421 1.00 11.68 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.075 -23.106 -22.878 1.00 11.65 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.858 -23.482 -23.720 1.00 10.51 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.837 -23.165 -24.906 1.00 10.67 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.034 -24.280 -22.879 1.00 13.35 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.389 -24.627 -24.208 1.00 16.35 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.929 -24.266 -23.198 1.00 10.75 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.813 -24.762 -24.016 1.00 12.01 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.332 -25.633 -25.164 1.00 11.86 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.751 -25.525 -26.285 1.00 11.86 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.941 -25.567 -23.031 1.00 12.51 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.234 -24.840 -21.704 1.00 13.20 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.711 -24.531 -21.774 1.00 12.65 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.410 -26.384 -24.978 1.00 12.12 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -31.990 -27.211 -26.066 1.00 14.74 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.364 -26.312 -27.246 1.00 13.85 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.338 -26.754 -28.412 1.00 14.91 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.175 -28.001 -25.522 1.00 18.76 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.803 -28.905 -24.364 1.00 26.45 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.127 -28.415 -22.953 1.00 32.01 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.386 -27.516 -22.390 1.00 20.75 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.116 -28.984 -22.382 1.00 38.65 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.841 -25.095 -26.998 1.00 11.71 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.239 -24.134 -28.048 1.00 11.64 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.083 -23.224 -28.468 1.00 10.56 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.277 -22.359 -29.313 1.00 12.11 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.463 -23.317 -27.618 1.00 12.95 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.745 -24.104 -27.597 1.00 14.78 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.863 -25.163 -28.238 1.00 17.96 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.717 -23.639 -26.826 1.00 15.97 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.876 -23.408 -27.949 1.00 9.52  ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.700 -22.636 -28.354 1.00 9.47  ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.432 -21.362 -27.557 1.00 8.39  ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.791 -20.468 -28.051 1.00 9.50  ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.910 -21.315 -26.294 1.00 8.97  ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.706 -20.136 -25.405 1.00 8.86  ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.026 -20.513 -24.092 1.00 8.22  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.480 -21.503 -23.469 1.00 9.64  ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.047 -19.480 -25.053 1.00 9.46  ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.845 -18.967 -26.240 1.00 9.35  ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.748 -19.772 -26.915 1.00 9.91  ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.723 -17.666 -26.701 1.00 9.56  ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.492 -19.301 -27.998 1.00 10.66 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.452 -17.205 -27.779 1.00 10.60 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.328 -18.020 -28.422 1.00 10.24 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.076 -19.692 -23.665 1.00 7.87  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.400 -19.776 -22.350 1.00 8.21  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.558 -18.415 -21.680 1.00 7.28  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.835 -17.490 -21.986 1.00 8.56  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.941 -20.238 -22.491 1.00 8.37  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.837 -21.604 -23.122 1.00 8.41  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.770 -22.815 -22.494 1.00 9.57  ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.861 -21.921 -24.542 1.00 8.95  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.817 -23.854 -23.412 1.00 9.45  ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.856 -23.322 -24.668 1.00 9.77  ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.921 -21.141 -25.702 1.00 9.30  ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.917 -23.947 -25.929 1.00 10.98 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -25.962 -21.776 -26.932 1.00 11.08 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -25.984 -23.139 -27.027 1.00 11.55 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.558 -18.336 -20.791 1.00 7.77  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.077 -17.033 -20.306 1.00 8.19  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.394 -17.112 -18.805 1.00 7.93  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.683 -18.182 -18.252 1.00 8.20  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.320 -16.584 -21.073 1.00 8.79  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.394 -17.483 -20.855 1.00 9.32  ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.026 -16.370 -22.546 1.00 8.79  ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.445 -15.919 -18.214 1.00 8.18  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.090 -15.695 -16.874 1.00 8.31  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.092 -14.566 -17.053 1.00 8.23  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.040 -13.779 -18.058 1.00 8.80  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.070 -15.396 -15.759 1.00 8.76  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.377 -14.049 -15.944 1.00 9.47  ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.079 -16.559 -15.657 1.00 8.90  ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.582 -13.579 -14.745 1.00 10.35 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -31.961 -14.404 -16.068 1.00 8.26  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -32.978 -13.339 -16.126 1.00 9.19  ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.367 -12.867 -14.756 1.00 9.19  ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.191 -13.568 -13.724 1.00 9.38  ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.182 -13.762 -16.911 1.00 11.25 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.941 -14.902 -16.384 1.00 12.46 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.791 -14.935 -15.317 1.00 13.38 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.064 -16.157 -17.037 1.00 12.47 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.429 -16.134 -15.261 1.00 15.21 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.010 -16.913 -16.304 1.00 13.29 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.484 -16.723 -18.170 1.00 14.40 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.351 -18.224 -16.648 1.00 16.24 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.862 -17.985 -18.535 1.00 15.27 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.757 -18.720 -17.784 1.00 14.46 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -33.931 -11.665 -14.730 1.00 8.96  ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.725 -11.115 -13.610 1.00 9.77  ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.170 -11.068 -14.044 1.00 9.74  ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.494 -10.589 -15.133 1.00 9.67  ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.264 -9.705  -13.320 1.00 10.39 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.099 -8.934  -12.298 1.00 10.50 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.147 -9.618  -10.924 1.00 10.56 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.613 -7.524  -12.181 1.00 12.43 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.038 -11.487 -13.128 0.50 10.93 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.496 -11.593 -13.343 0.50 12.35 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.168 -11.541 -11.975 0.50 11.97 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -38.744 -12.293 -11.075 0.50 10.77 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.795 -12.908 -14.062 0.50 14.86 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.236 -13.139 -14.344 0.50 16.56 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.047 -14.116 -13.840 0.50 17.66 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.036 -12.361 -15.244 0.50 17.44 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.297 -13.997 -14.373 0.50 17.82 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.327 -12.924 -15.226 0.50 17.59 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -40.790 -11.248 -16.058 0.50 17.59 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.370 -12.411 -15.994 0.50 19.10 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -41.822 -10.744 -16.818 0.50 19.24 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.094 -11.313 -16.777 0.50 19.58 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.127 -10.628 -11.792 1.00 11.18 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -40.978 -10.661 -10.568 1.00 11.43 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.090 -10.839 -9.369  1.00 12.48 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.434 -11.695 -8.470  1.00 14.56 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.064 -11.719 -10.699 1.00 13.11 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -42.949 -11.411 -11.867 1.00 14.35 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.209 -12.232 -11.947 1.00 16.45 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.123 -11.897 -12.708 1.00 19.77 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.297 -13.286 -11.155 1.00 15.91 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.088 -10.028 -9.236  1.00 13.34 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.292 -9.906  -8.016  1.00 17.73 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.499 -11.188 -7.717  1.00 18.74 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.965 -11.282 -6.588  1.00 25.17 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.261 -9.601  -6.870  1.00 19.69 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.628 -9.008  -5.660  1.00 26.07 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.680 -8.193  -5.795  1.00 29.59 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.146 -9.348  -4.562  1.00 31.67 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.292 -12.068 -8.693  1.00 14.48 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.393 -13.246 -8.531  1.00 15.97 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.477 -13.360 -9.747  1.00 13.28 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.889 -13.005 -10.901 1.00 13.77 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.205 -14.469 -8.175  1.00 17.95 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.838 -15.023 -9.285  1.00 26.92 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.298 -13.912 -9.520  1.00 11.37 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.308 -14.228 -10.573 1.00 10.75 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.285 -15.706 -10.836 1.00 10.73 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.266 -16.495 -9.891  1.00 11.17 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.950 -13.689 -10.166 1.00 10.95 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.883 -12.185 -9.929  1.00 11.57 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.118 -11.633 -8.675  1.00 12.01 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.505 -11.324 -10.934 1.00 11.00 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.022 -10.266 -8.458  1.00 12.56 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.417 -9.960  -10.735 1.00 11.00 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.662 -9.434  -9.485  1.00 11.21 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.648 -8.085  -9.219  1.00 12.94 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.280 -16.105 -12.112 0.26 9.85  ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.291 -16.091 -12.117 0.24 10.40 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.245 -17.538 -12.504 0.26 10.02 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.276 -17.509 -12.561 0.24 10.84 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.321 -17.751 -13.704 0.26 8.92  ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.217 -17.699 -13.654 0.24 9.30  ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.215 -16.880 -14.569 0.26 8.86  ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.851 -16.723 -14.361 0.24 8.75  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.649 -18.031 -12.822 0.26 10.99 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.660 -17.914 -13.059 0.24 12.68 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.640 -17.874 -11.671 0.26 12.65 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.768 -17.798 -12.012 0.24 15.42 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.057 -18.279 -12.039 0.26 13.43 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.952 -19.002 -11.097 0.24 16.79 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.507 -17.927 -13.146 0.26 15.51 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.440 -20.094 -11.420 0.24 20.77 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.714 -18.950 -11.218 0.26 14.05 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.661 -18.856 -10.082 0.24 21.46 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.703 -18.931 -13.765 1.00 9.01  ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.934 -19.363 -14.953 1.00 9.22  ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.865 -20.086 -15.889 1.00 9.16  ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.716 -20.886 -15.455 1.00 9.71  ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.770 -20.251 -14.574 1.00 9.41  ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.689 -19.836 -17.192 1.00 9.50  ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.511 -20.419 -18.256 1.00 10.85 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.130 -21.834 -18.591 1.00 10.77 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.865 -22.189 -19.723 1.00 13.21 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.079 -22.728 -17.618 1.00 12.79 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.108 -24.179 -17.819 1.00 13.94 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.542 -24.633 -18.081 1.00 14.08 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.459 -23.846 -17.900 1.00 15.84 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.500 -24.821 -16.587 1.00 12.19 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.214 -24.378 -15.416 1.00 12.08 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.047 -24.527 -16.404 1.00 13.11 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.751 -25.907 -18.411 1.00 17.23 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.112 -26.457 -18.581 1.00 20.07 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.286 -27.673 -17.664 1.00 21.79 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.614 -28.694 -17.842 1.00 23.79 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.394 -26.776 -20.043 1.00 23.75 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.698 -27.348 -20.173 1.00 28.34 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.055 -27.547 -16.564 1.00 19.12 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.729 -26.316 -16.160 1.00 18.39 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.736 -25.299 -15.555 1.00 15.12 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.599 -25.647 -15.281 1.00 14.02 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.740 -26.799 -15.118 1.00 21.91 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.022 -27.934 -14.453 1.00 22.41 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.254 -28.629 -15.570 1.00 21.15 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.185 -24.081 -15.307 1.00 13.82 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.294 -22.986 -14.850 1.00 13.12 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.767 -23.259 -13.437 1.00 11.37 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.439 -23.977 -12.662 1.00 13.11 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -35.954 -21.610 -14.979 1.00 17.18 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.002 -21.301 -13.941 1.00 24.74 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.384 -21.462 -14.503 1.00 32.07 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.682 -22.434 -15.196 1.00 35.06 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.236 -20.504 -14.188 1.00 37.74 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.669 -22.638 -13.122 1.00 10.06 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.955 -22.825 -11.848 1.00 10.36 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.970 -21.530 -11.059 1.00 10.64 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.525 -20.510 -11.568 1.00 11.42 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.520 -23.310 -12.107 1.00 9.88  ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.557 -24.531 -12.841 1.00 11.14 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.752 -23.508 -10.821 1.00 10.52 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.355 -21.603 -9.788  1.00 10.94 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.294 -20.466 -8.865  1.00 11.65 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.860 -19.985 -8.641  1.00 11.20 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -30.957 -20.853 -8.378  1.00 12.56 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.950 -20.916 -7.550  1.00 13.93 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.322 -21.200 -7.805  1.00 15.87 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.734 -19.887 -6.464  1.00 15.98 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.599 -18.702 -8.724  1.00 10.17 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.325 -18.103 -8.394  1.00 9.91  ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.403 -17.492 -6.993  1.00 11.39 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.529 -17.250 -6.469  1.00 14.40 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.905 -17.038 -9.418  1.00 9.62  ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.814 -17.553 -10.856 1.00 9.44  ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.550 -16.419 -11.843 1.00 10.11 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.737 -18.626 -10.988 1.00 10.75 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.273 -17.391 -6.335  1.00 11.13 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.125 -16.922 -4.926  1.00 11.97 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.290 -15.659 -4.947  1.00 13.67 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.037 -15.706 -5.009  1.00 17.59 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.462 -18.023 -4.077  1.00 13.00 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.241 -19.288 -4.039  1.00 12.76 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.945 -20.367 -4.866  1.00 15.01 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.309 -19.648 -3.328  1.00 14.85 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.821 -21.328 -4.633  1.00 15.24 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.657 -20.939 -3.684  1.00 14.75 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.935 -14.512 -4.993  1.00 15.53 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.270 -13.184 -5.133  1.00 18.05 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.703 -12.333 -3.915  1.00 17.53 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.891 -12.101 -3.714  1.00 23.90 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.608 -12.529 -6.495  1.00 18.62 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.123 -13.395 -7.672  1.00 17.63 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.065 -11.101 -6.517  1.00 23.51 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.373 -12.834 -9.053  1.00 16.58 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.744 -11.994 -3.082  1.00 20.00 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.975 -11.186 -1.850  1.00 21.77 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.931 -9.698  -2.206  1.00 21.71 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.698 -8.916  -1.586  1.00 22.30 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.889 -11.532 -0.825  1.00 24.18 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.941 -10.709 0.467   1.00 29.56 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.204 -10.917 1.279   1.00 33.36 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.848 -11.963 1.222   1.00 39.24 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.571 -9.908  2.057   1.00 35.62 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.107 -9.319  -3.177  1.00 18.17 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.902 -7.890  -3.595  1.00 16.45 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.458 -7.711  -5.003  1.00 16.06 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.814 -8.184  -5.958  1.00 15.28 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.421 -7.499  -3.534  1.00 18.39 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.189 -6.063  -4.045  1.00 19.19 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.901 -7.641  -2.105  1.00 20.02 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.684 -7.183  -5.202  1.00 14.55 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.218 -7.072  -6.561  1.00 15.48 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.229 -6.371  -7.463  1.00 14.33 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.695 -5.312  -7.183  1.00 15.47 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.479 -6.222  -6.369  1.00 17.72 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.925 -6.638  -4.968  1.00 18.97 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.653 -6.714  -4.178  1.00 17.39 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.837 -6.992  -8.595  1.00 13.61 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.844 -6.398  -9.460  1.00 12.43 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.343 -5.178  -10.237 1.00 12.24 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.444 -5.233  -10.759 1.00 13.28 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.430 -7.556  -10.392 1.00 13.39 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.574 -8.493  -10.327 1.00 15.28 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.162 -8.379  -8.956  1.00 14.14 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.468 -4.190  -10.368 1.00 12.20 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.657 -3.089  -11.335 1.00 12.43 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.862 -3.319  -12.609 1.00 12.05 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.177 -2.715  -13.628 1.00 11.68 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.274 -1.751  -10.733 1.00 14.83 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.251 -1.316  -9.264  1.00 22.74 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.769 -4.102  -12.568 0.25 11.98 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.942 -4.279  -12.548 0.25 12.50 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.049 -4.550  -13.798 0.25 12.10 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.033 -4.596  -13.668 0.25 13.28 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.705 -6.039  -13.674 0.25 11.09 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.793 -6.105  -13.634 0.25 11.68 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.298 -6.493  -12.574 0.25 10.38 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.678 -6.671  -12.530 0.25 10.74 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.756 -3.783  -14.111 0.25 12.94 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.765 -3.752  -13.550 0.25 15.46 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -22.903 -2.274  -14.276 0.25 13.86 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.004 -2.259  -13.704 0.25 17.21 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.815 -1.542  -12.958 0.25 15.08 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.777 -1.518  -14.170 0.25 19.27 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.082 -1.939  -12.059 0.25 15.92 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.652 -1.982  -14.020 0.25 23.40 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.588 -0.472  -12.817 0.25 15.25 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.991 -0.347  -14.733 0.25 21.42 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.847 -6.732  -14.809 1.00 10.94 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.657 -8.202  -14.983 1.00 10.84 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.426 -8.371  -15.884 1.00 10.89 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.373 -7.761  -16.982 1.00 10.52 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.902 -8.837  -15.616 1.00 11.01 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.208 -8.648  -14.815 1.00 13.22 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.627 -10.326 -15.889 1.00 11.74 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.256 -9.428  -13.563 1.00 13.48 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.475 -9.231  -15.486 1.00 10.46 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.387 -9.701  -16.346 1.00 9.80  ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.701 -11.051 -16.946 1.00 9.92  ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.250 -11.914 -16.265 1.00 10.43 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.412 -11.209 -18.229 1.00 10.05 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.674 -12.463 -18.990 1.00 9.68  ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.363 -12.951 -19.584 1.00 10.23 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.681 -12.199 -20.282 1.00 10.13 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.711 -12.226 -20.099 1.00 10.33 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.003 -11.691 -19.476 1.00 11.12 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.002 -13.513 -20.873 1.00 11.26 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.044 -11.313 -20.450 1.00 13.32 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.004 -14.180 -19.221 1.00 9.58  ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.771 -14.841 -19.700 1.00 9.36  ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.133 -16.084 -20.496 1.00 9.33  ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.902 -16.908 -20.023 1.00 10.01 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.901 -15.243 -18.515 1.00 10.62 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.655 -16.003 -18.873 1.00 11.96 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.645 -15.383 -19.560 1.00 13.09 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.476 -17.332 -18.527 1.00 13.13 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.483 -16.078 -19.900 1.00 14.94 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.314 -18.029 -18.867 1.00 14.98 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.330 -17.388 -19.551 1.00 14.58 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.561 -16.204 -21.687 1.00 9.85  ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.722 -17.372 -22.573 1.00 10.09 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.340 -17.971 -22.842 1.00 9.10  ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.442 -17.262 -23.320 1.00 10.93 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.437 -17.017 -23.871 1.00 10.70 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.567 -18.252 -24.743 1.00 12.15 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.807 -16.380 -23.623 1.00 12.11 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.197 -19.250 -22.540 1.00 9.60  ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.007 -20.039 -22.975 1.00 10.77 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.501 -21.063 -23.998 1.00 10.05 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.131 -22.051 -23.651 1.00 10.35 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.309 -20.676 -21.793 1.00 12.16 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.037 -21.457 -22.136 1.00 13.07 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.898 -21.886 -23.300 1.00 14.13 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.234 -21.587 -21.163 1.00 17.41 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.286 -20.741 -25.273 1.00 10.62 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.861 -21.573 -26.351 1.00 11.10 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.333 -23.022 -26.272 1.00 11.40 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.063 -23.957 -26.265 1.00 12.29 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.622 -20.931 -27.733 1.00 10.85 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.533 -21.551 -28.775 1.00 11.10 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.334 -22.825 -29.310 1.00 11.35 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.672 -20.874 -29.201 1.00 10.60 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.234 -23.395 -30.188 1.00 10.77 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.589 -21.427 -30.079 1.00 11.10 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.376 -22.695 -30.587 1.00 10.31 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.258 -23.289 -31.434 1.00 11.23 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.031 -23.145 -26.138 1.00 12.79 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.378 -24.484 -26.190 1.00 13.49 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.819 -25.312 -24.998 1.00 13.67 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.159 -26.485 -25.178 1.00 15.53 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.863 -24.351 -26.211 1.00 16.30 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.308 -24.057 -27.601 1.00 23.95 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.842 -22.852 -28.280 1.00 28.26 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.246 -22.979 -29.389 1.00 21.92 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.862 -21.786 -27.644 1.00 31.56 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.902 -24.715 -23.808 1.00 11.96 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.268 -25.437 -22.596 1.00 12.96 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.772 -25.725 -22.541 1.00 13.19 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.184 -26.572 -21.758 1.00 15.57 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.846 -24.687 -21.360 1.00 15.08 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.619 -25.053 -23.327 1.00 11.33 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.073 -25.195 -23.230 1.00 10.80 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.633 -24.575 -21.938 1.00 9.51  ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.398 -25.260 -21.256 1.00 10.93 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.205 -23.356 -21.620 1.00 10.09 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.626 -22.670 -20.358 1.00 10.49 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.200 -21.301 -20.693 1.00 9.49  ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.598 -20.534 -21.460 1.00 10.43 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.398 -22.515 -19.448 1.00 10.97 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.648 -21.526 -18.289 1.00 11.98 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.954 -23.890 -18.959 1.00 12.30 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.284 -20.968 -19.999 1.00 9.54  ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.836 -19.578 -19.941 1.00 9.13  ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.060 -19.225 -18.457 1.00 8.57  ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.825 -19.960 -17.798 1.00 9.16  ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.158 -19.472 -20.725 1.00 8.97  ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.648 -18.019 -20.711 1.00 9.43  ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.033 -20.005 -22.149 1.00 9.24  ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.399 -18.199 -17.989 1.00 8.45  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.511 -17.783 -16.581 1.00 9.32  ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -20.965 -16.333 -16.475 1.00 8.79  ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.661 -15.513 -17.320 1.00 9.88  ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.197 -17.969 -15.840 1.00 9.18  ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.825 -19.356 -15.746 1.00 10.55 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.656 -16.064 -15.370 1.00 8.34  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.273 -14.770 -15.064 1.00 9.21  ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.737 -14.308 -13.723 1.00 9.34  ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.775 -15.103 -12.737 1.00 9.33  ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.813 -14.885 -15.058 1.00 9.47  ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.424 -15.281 -16.385 1.00 8.68  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.464 -16.606 -16.799 1.00 8.78  ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.908 -14.301 -17.237 1.00 8.23  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -24.964 -16.935 -18.048 1.00 8.76  ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.419 -14.665 -18.481 1.00 8.67  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.462 -15.971 -18.887 1.00 8.59  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.445 -13.026 -13.635 1.00 9.10  ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.784 -12.405 -12.460 1.00 10.30 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.584 -11.169 -12.047 1.00 10.51 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.030 -10.337 -12.873 1.00 10.74 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.314 -12.096 -12.713 1.00 10.71 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.506 -13.333 -12.994 1.00 11.21 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.020 -14.151 -11.979 1.00 11.84 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.319 -13.784 -14.294 1.00 11.69 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.356 -15.340 -12.252 1.00 12.18 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.637 -14.955 -14.585 1.00 12.30 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.126 -15.729 -13.557 1.00 11.96 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.473 -16.918 -13.816 1.00 14.06 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.612 -10.927 -10.741 1.00 11.97 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.302 -9.772  -10.101 1.00 11.37 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.263 -8.675  -9.923  1.00 10.76 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.503 -8.685  -8.900  1.00 13.52 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.914 -10.221 -8.779  1.00 11.42 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.742 -9.125  -8.115  1.00 12.05 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.574 -7.943  -8.464  1.00 13.22 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.642 -9.524  -7.271  1.00 13.41 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.187 -7.698  -10.823 1.00 12.46 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.128 -6.668  -10.766 1.00 13.47 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.376 -5.786  -9.527  1.00 14.41 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.391 -5.321  -8.920  1.00 16.38 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.099 -5.854  -12.072 1.00 14.13 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.902 -6.761  -13.298 1.00 15.36 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.050 -4.762  -12.023 1.00 16.20 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.861 -7.820  -13.109 1.00 18.64 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.612 -5.546  -9.136  1.00 14.16 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -21.996 -4.697  -7.964  1.00 15.00 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.436 -5.345  -6.698  1.00 18.25 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -20.971 -4.603  -5.802  1.00 21.13 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.521 -4.556  -7.929  1.00 14.58 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -23.963 -4.080  -9.199  1.00 14.95 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -23.974 -3.591  -6.847  1.00 15.95 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.377 -6.667  -6.615  1.00 16.02 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.866 -7.418  -5.439  1.00 17.09 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.454 -7.958  -5.699  1.00 17.36 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.259 -9.163  -5.519  1.00 18.53 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.868 -8.472  -5.056  1.00 16.70 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.494 -9.248  -3.828  1.00 20.26 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.004 -8.620  -2.855  1.00 21.73 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.701 -10.455 -3.873  1.00 20.87 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.527 -7.111  -6.111  1.00 19.24 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.083 -7.440  -6.229  1.00 23.52 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.915 -8.663  -7.141  1.00 21.08 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -16.039 -9.484  -6.900  1.00 23.39 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.431 -7.757  -4.870  1.00 28.72 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.776 -6.872  -3.713  1.00 36.12 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.155 -5.655  -3.501  1.00 41.03 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.604 -7.065  -2.662  1.00 38.75 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.626 -5.108  -2.396  1.00 43.66 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.513 -5.959  -1.855  1.00 41.54 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.741 -8.800  -8.173  1.00 17.20 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.517 -9.847  -9.185  1.00 15.69 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.949 -11.220 -8.731  1.00 14.14 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.459 -12.156 -9.335  1.00 15.07 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.783 -11.367 -7.734  1.00 13.12 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.143 -12.699 -7.213  1.00 12.04 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.851 -13.535 -8.294  1.00 11.97 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.648 -13.000 -9.122  1.00 11.62 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.003 -12.588 -5.973  1.00 13.30 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.195 -11.837 -6.179  1.00 14.16 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.640 -14.832 -8.291  1.00 10.63 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.295 -15.742 -9.262  1.00 10.29 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.792 -15.785 -9.032  1.00 10.23 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.316 -15.994 -7.904  1.00 10.65 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.694 -17.140 -9.109  1.00 10.69 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.252 -18.201 -10.087 1.00 10.71 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.866 -17.912 -11.527 1.00 10.91 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.707 -19.593 -9.704  1.00 11.58 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.548 -15.647 -10.135 1.00 9.97  ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.002 -15.860 -10.163 1.00 9.91  ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.356 -17.268 -10.636 1.00 9.31  ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.147 -17.956 -10.050 1.00 9.43  ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.674 -14.762 -11.034 1.00 10.53 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.520 -13.368 -10.426 1.00 11.01 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.141 -15.116 -11.242 1.00 10.98 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.954 -12.245 -11.351 1.00 10.78 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.784 -17.689 -11.771 1.00 9.17  ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.161 -18.984 -12.370 1.00 8.95  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.115 -19.390 -13.394 1.00 8.53  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.635 -18.532 -14.133 1.00 9.31  ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.538 -18.909 -13.086 1.00 8.72  ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.087 -20.257 -13.421 1.00 8.84  ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.727 -21.059 -12.480 1.00 9.40  ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.975 -20.779 -14.710 1.00 8.88  ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.195 -22.316 -12.792 1.00 9.76  ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.413 -22.035 -15.032 1.00 9.38  ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.994 -22.812 -14.063 1.00 9.37  ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.405 -24.087 -14.343 1.00 11.61 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.846 -20.698 -13.497 1.00 8.59  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.035 -21.297 -14.573 1.00 8.55  ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.798 -22.402 -15.267 1.00 9.25  ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.182 -23.378 -14.647 1.00 9.67  ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.701 -21.852 -14.032 1.00 9.20  ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.932 -20.730 -13.593 1.00 9.80  ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.977 -22.683 -15.080 1.00 10.46 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.008 -22.225 -16.579 1.00 8.98  ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.398 -23.329 -17.477 1.00 9.15  ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.089 -24.011 -17.919 1.00 9.29  ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.211 -23.375 -18.489 1.00 9.97  ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.063 -22.821 -18.754 1.00 9.23  ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.438 -22.212 -18.605 1.00 8.23  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.606 -20.866 -18.342 1.00 7.92  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.573 -22.970 -18.779 1.00 8.16  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.883 -20.309 -18.257 1.00 8.64  ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.849 -22.405 -18.722 1.00 8.58  ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.992 -21.071 -18.445 1.00 8.03  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -21.993 -25.299 -17.619 1.00 10.69 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.853 -26.108 -18.098 1.00 11.57 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.390 -27.246 -18.945 1.00 11.41 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.577 -27.495 -19.028 1.00 13.02 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.017 -26.560 -16.933 1.00 12.25 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.699 -27.481 -16.136 1.00 16.87 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.447 -27.919 -19.634 1.00 13.48 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.803 -29.000 -20.601 1.00 14.70 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.740 -28.424 -21.667 1.00 13.16 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.681 -29.123 -22.144 1.00 14.57 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.454 -30.185 -19.895 1.00 17.89 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.745 -30.695 -18.653 1.00 22.65 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.402 -32.002 -18.283 1.00 32.89 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.319 -31.984 -17.440 1.00 37.60 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -21.087 -33.013 -18.944 1.00 37.87 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.485 -27.168 -22.050 1.00 12.15 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.331 -26.531 -23.074 1.00 11.36 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.074 -27.189 -24.432 1.00 12.13 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.895 -27.419 -24.772 1.00 13.56 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.147 -25.013 -23.208 1.00 10.70 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.551 -24.082 -21.711 1.00 11.03 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.128 -27.372 -25.186 1.00 11.34 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -22.991 -27.897 -26.578 1.00 12.74 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.443 -26.742 -27.474 1.00 11.57 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.607 -26.668 -27.831 1.00 13.31 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.736 -29.262 -26.722 1.00 14.57 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.641 -29.751 -28.171 1.00 15.24 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.234 -30.317 -25.732 1.00 16.04 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.569 -25.809 -27.816 1.00 11.01 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.909 -24.569 -28.538 1.00 11.53 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.459 -24.939 -29.914 1.00 12.44 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.467 -24.352 -30.351 1.00 13.76 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.725 -23.624 -28.567 1.00 10.83 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.269 -23.146 -27.200 1.00 10.25 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.195 -22.615 -26.295 1.00 10.52 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.933 -23.131 -26.814 1.00 11.17 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.801 -22.155 -25.039 1.00 10.60 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.528 -22.677 -25.562 1.00 10.88 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.466 -22.146 -24.691 1.00 10.91 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.755 -25.810 -30.664 1.00 11.85 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.223 -26.397 -31.939 1.00 12.21 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.347 -25.324 -33.007 1.00 11.73 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.160 -25.527 -33.981 1.00 13.21 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.478 -27.177 -31.745 1.00 13.04 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.559 -24.289 -32.942 1.00 11.75 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.598 -23.204 -33.926 1.00 12.52 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.915 -21.963 -33.414 1.00 11.38 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.472 -21.915 -32.231 1.00 11.95 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.767 -20.949 -34.252 1.00 10.55 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.296 -19.643 -33.807 1.00 10.51 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.249 -19.081 -32.729 1.00 10.96 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.458 -19.310 -32.807 1.00 11.38 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.298 -18.732 -35.049 1.00 11.27 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.426 -19.773 -36.201 1.00 11.81 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.196 -20.915 -35.659 1.00 10.68 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.666 -18.328 -31.806 1.00 10.12 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.447 -17.680 -30.706 1.00 9.81  ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.540 -16.183 -30.941 1.00 9.66  ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.613 -15.554 -31.423 1.00 11.18 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.752 -17.927 -29.369 1.00 10.76 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.795 -19.347 -28.828 1.00 11.68 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -20.953 -19.429 -27.577 1.00 11.42 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.206 -19.829 -28.593 1.00 12.20 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.664 -15.604 -30.520 1.00 9.62  ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.890 -14.150 -30.510 1.00 9.73  ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.335 -13.677 -29.135 1.00 8.81  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.101 -14.361 -28.464 1.00 9.07  ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -24.935 -13.778 -31.567 1.00 11.15 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.458 -14.163 -32.976 1.00 13.17 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.395 -13.766 -34.081 1.00 13.85 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.430 -12.323 -34.180 1.00 13.61 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.138 -11.710 -35.106 1.00 14.18 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.737 -12.420 -36.035 1.00 14.64 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.190 -10.402 -35.106 1.00 14.19 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.870 -12.503 -28.701 1.00 8.49  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.430 -11.899 -27.479 1.00 8.53  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -25.944 -11.725 -27.635 1.00 8.07  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.436 -11.385 -28.699 1.00 9.00  ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.727 -10.555 -27.363 1.00 8.95  ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.422 -10.761 -28.182 1.00 10.12 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.857 -11.641 -29.330 1.00 10.09 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.677 -12.022 -26.559 1.00 7.98  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.146 -12.044 -26.525 1.00 8.43  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.673 -11.100 -25.434 1.00 7.60  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.180 -11.097 -24.308 1.00 8.04  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.631 -13.467 -26.269 1.00 8.65  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.134 -13.554 -26.089 1.00 8.64  ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -30.996 -13.551 -27.187 1.00 9.61  ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.719 -13.594 -24.831 1.00 9.67  ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.366 -13.597 -27.026 1.00 9.97  ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.089 -13.588 -24.678 1.00 9.96  ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.914 -13.620 -25.775 1.00 9.90  ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.740 -10.344 -25.778 1.00 7.88  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.338 -9.325  -24.885 1.00 7.86  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.860 -9.391  -25.017 1.00 8.69  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.391 -9.441  -26.138 1.00 8.99  ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.891 -7.908  -25.275 1.00 8.52  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.385 -7.771  -25.383 1.00 8.51  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.720 -8.057  -26.560 1.00 8.52  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.617 -7.291  -24.328 1.00 9.57  ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.336 -8.001  -26.653 1.00 8.87  ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.236 -7.191  -24.423 1.00 9.76  ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.608 -7.513  -25.601 1.00 9.52  ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.558 -9.214  -23.903 1.00 8.59  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.017 -8.951  -23.861 1.00 8.44  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.231 -7.809  -22.885 1.00 7.92  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.917 -7.981  -21.682 1.00 8.70  ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.791 -10.186 -23.428 1.00 8.92  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.279 -9.986  -23.528 1.00 9.09  ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.802 -8.923  -23.845 1.00 10.07 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.029 -11.027 -23.277 1.00 10.37 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.736 -6.660  -23.347 1.00 8.25  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.010 -5.518  -22.433 1.00 8.73  ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.266 -5.760  -21.601 1.00 8.57  ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.499 -4.944  -20.673 1.00 9.75  ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.083 -4.158  -23.170 1.00 9.13  ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.797 -3.812  -23.888 1.00 10.70 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.243 -4.130  -24.152 1.00 9.55  ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.077 -6.755  -21.944 1.00 9.07  ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.360 -7.014  -21.251 1.00 9.34  ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.449 -6.056  -21.689 1.00 9.12  ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.221 -5.016  -22.271 1.00 9.25  ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.664 -6.531  -21.478 1.00 10.03 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.872 -5.702  -21.640 1.00 9.32  ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -41.924 -4.618  -20.582 1.00 9.00  ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.211 -4.660  -19.584 1.00 9.43  ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.142 -6.560  -21.672 1.00 10.99 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.260 -7.430  -22.896 1.00 11.68 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.628 -6.885  -24.105 1.00 13.68 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -42.994 -8.785  -22.833 1.00 13.43 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.714 -7.697  -25.233 1.00 15.45 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.094 -9.586  -23.974 1.00 14.00 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.489 -9.039  -25.136 1.00 14.73 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.771 -3.630  -20.840 1.00 9.44  ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -42.992 -2.545  -19.866 1.00 9.35  ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.509 -2.396  -19.661 1.00 9.47  ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.034 -1.267  -19.691 1.00 10.64 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.342 -1.256  -20.330 1.00 10.20 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.382 -0.174  -19.280 1.00 9.96  ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.429 -0.431  -18.092 1.00 10.40 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.307 1.064   -19.735 1.00 11.66 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.196 -3.459  -19.327 1.00 9.80  ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.614 -3.406  -18.908 1.00 9.79  ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.762 -2.617  -17.621 1.00 9.61  ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.840 -1.964  -17.420 1.00 11.57 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.197 -4.808  -18.721 1.00 10.22 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.260 -5.652  -19.967 1.00 12.15 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.251 -5.441  -20.918 1.00 15.43 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.398 -6.719  -20.133 1.00 13.76 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.291 -6.214  -22.075 1.00 16.84 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.444 -7.501  -21.283 1.00 14.53 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.375 -7.230  -22.245 1.00 16.46 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.415 -8.064  -23.342 1.00 21.99 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.810 -2.644  -16.702 1.00 9.62  ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -45.918 -2.038  -15.360 1.00 10.70 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.658 -0.527  -15.385 1.00 10.69 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -45.998 0.155   -14.391 1.00 12.49 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -44.947 -2.668  -14.405 1.00 10.49 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.610 -2.330  -14.851 1.00 10.88 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.020 0.001   -16.414 1.00 9.63  ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.496 1.373   -16.375 1.00 10.29 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.265 1.538   -15.508 1.00 10.77 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.793 2.680   -15.368 1.00 12.62 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.687 0.463   -14.965 1.00 10.11 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.475 0.502   -14.141 1.00 10.35 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.276 -0.131  -14.832 1.00 10.15 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.221 -0.200  -14.154 1.00 12.03 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.363 -0.534  -16.081 1.00 9.14  ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.282 -1.273  -16.760 1.00 8.98  ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.838 -0.551  -18.025 1.00 9.38  ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.279 -1.230  -18.913 1.00 10.54 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.685 -2.707  -17.063 1.00 8.85  ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.465 -3.573  -17.341 1.00 8.93  ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.426 -3.377  -16.721 1.00 9.35  ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.600 -4.488  -18.289 1.00 8.99  ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.932 0.781   -18.104 1.00 9.85  ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.544 1.515   -19.329 1.00 11.10 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.025 1.651   -19.467 1.00 10.92 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.564 1.929   -20.574 1.00 12.03 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.166 2.922   -19.314 1.00 11.61 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.276 1.485   -18.402 1.00 10.37 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.825 1.789   -18.456 1.00 10.57 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.109 0.904   -19.481 1.00 10.23 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.491 -0.253  -19.755 1.00 10.23 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.183 1.628   -17.106 1.00 10.91 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.016 1.406   -20.074 1.00 10.24 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.282 0.640   -21.076 1.00 10.44 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.373 -0.460  -20.487 1.00 9.49  ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.017 -0.440  -19.339 1.00 10.72 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.399 1.721   -21.744 1.00 11.19 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.114 2.689   -20.633 1.00 13.63 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.443 2.758   -19.880 1.00 12.76 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -30.977 -1.379  -21.360 1.00 10.24 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.728 -2.174  -21.186 1.00 9.95  ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.588 -1.399  -21.836 1.00 9.82  ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.769 -0.868  -22.959 1.00 12.06 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.878 -3.523  -21.854 1.00 9.81  ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.895 -4.478  -21.217 1.00 10.52 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.068 -5.767  -22.022 1.00 11.31 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.524 -4.866  -19.797 1.00 12.17 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.442 -1.315  -21.161 1.00 9.92  ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.298 -0.557  -21.709 1.00 11.07 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.073 -1.454  -21.673 1.00 11.51 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.717 -1.964  -20.581 1.00 11.78 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -25.995 0.738   -20.940 1.00 12.61 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.140 1.716   -20.776 1.00 15.65 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.739 3.039   -20.105 1.00 18.46 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.900 3.887   -19.653 1.00 21.68 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.379 5.067   -18.921 1.00 27.40 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.322 -1.497  -22.747 1.00 10.90 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -22.995 -2.169  -22.746 1.00 11.59 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -21.999 -1.224  -22.096 1.00 12.94 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.838 -0.065  -22.621 1.00 15.86 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.628 -2.551  -24.177 1.00 12.02 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.368 -3.809  -24.652 1.00 13.40 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.564 -3.868  -26.154 1.00 16.74 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.739 -5.086  -24.086 1.00 11.36 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.341 -1.679  -21.042 1.00 14.25 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.431 -0.850  -20.200 1.00 17.23 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.076 -0.763  -20.855 1.00 18.83 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.596 -1.728  -21.411 1.00 20.54 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.097 -1.547  -18.895 1.00 20.19 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.528 -2.035  -17.952 1.00 20.09 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.376 0.379   -20.699 1.00 24.35 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.061 0.555   -21.285 1.00 29.76 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.076 -0.375  -20.576 1.00 28.84 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.239 -0.621  -19.380 1.00 30.78 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.785 2.052   -21.074 1.00 28.45 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.629 2.436   -19.893 1.00 28.78 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.872 1.585   -20.022 1.00 26.65 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.115 -0.859  -21.371 1.00 35.61 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.840 -1.522  -20.987 1.00 36.88 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -12.972 -0.544  -20.195 1.00 43.17 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.250 -0.996  -19.305 1.00 51.00 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.117 -1.950  -22.268 1.00 36.74 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.529 -3.432  -22.923 1.00 24.67 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.174 -3.126  -23.205 1.00 18.18 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.361 -3.946  -24.040 1.00 30.81 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.085 -3.321  -25.276 1.00 34.84 ? 201 EDO B O2  1 
HETATM 1571 C C01 . JGD C 3 .   ? -40.551 -17.156 -15.872 0.50 24.53 ? 202 JGD B C01 1 
HETATM 1572 N N02 . JGD C 3 .   ? -39.977 -17.364 -17.187 0.50 24.06 ? 202 JGD B N02 1 
HETATM 1573 C C03 . JGD C 3 .   ? -40.297 -18.612 -17.853 0.50 23.89 ? 202 JGD B C03 1 
HETATM 1574 C C04 . JGD C 3 .   ? -39.149 -16.445 -17.755 0.50 20.81 ? 202 JGD B C04 1 
HETATM 1575 C C05 . JGD C 3 .   ? -38.303 -16.772 -18.832 0.50 20.54 ? 202 JGD B C05 1 
HETATM 1576 C C06 . JGD C 3 .   ? -37.478 -15.821 -19.365 0.50 19.68 ? 202 JGD B C06 1 
HETATM 1577 N N07 . JGD C 3 .   ? -37.404 -14.560 -18.933 0.50 19.16 ? 202 JGD B N07 1 
HETATM 1578 C C08 . JGD C 3 .   ? -38.191 -14.237 -17.907 0.50 19.35 ? 202 JGD B C08 1 
HETATM 1579 C C09 . JGD C 3 .   ? -39.053 -15.113 -17.297 0.50 20.93 ? 202 JGD B C09 1 
HETATM 1580 C C1  . EDO D 2 .   ? -50.454 -16.958 -33.180 1.00 36.65 ? 203 EDO B C1  1 
HETATM 1581 O O1  . EDO D 2 .   ? -49.101 -16.547 -33.051 1.00 31.01 ? 203 EDO B O1  1 
HETATM 1582 C C2  . EDO D 2 .   ? -51.140 -17.101 -31.884 1.00 35.54 ? 203 EDO B C2  1 
HETATM 1583 O O2  . EDO D 2 .   ? -50.984 -15.959 -31.080 1.00 42.20 ? 203 EDO B O2  1 
HETATM 1584 S S   . SO4 E 4 .   ? -40.438 -24.467 -26.321 1.00 30.93 ? 204 SO4 B S   1 
HETATM 1585 O O1  . SO4 E 4 .   ? -39.687 -23.512 -27.062 1.00 21.26 ? 204 SO4 B O1  1 
HETATM 1586 O O2  . SO4 E 4 .   ? -41.367 -25.153 -27.179 1.00 40.00 ? 204 SO4 B O2  1 
HETATM 1587 O O3  . SO4 E 4 .   ? -39.508 -25.401 -25.728 1.00 37.10 ? 204 SO4 B O3  1 
HETATM 1588 O O4  . SO4 E 4 .   ? -41.166 -23.825 -25.241 1.00 33.38 ? 204 SO4 B O4  1 
HETATM 1589 O O   . HOH F 5 .   ? -46.967 -16.639 -32.091 1.00 22.35 ? 301 HOH B O   1 
HETATM 1590 O O   . HOH F 5 .   ? -33.806 4.918   -16.861 1.00 34.74 ? 302 HOH B O   1 
HETATM 1591 O O   . HOH F 5 .   ? -38.612 -15.296 -11.540 1.00 29.85 ? 303 HOH B O   1 
HETATM 1592 O O   . HOH F 5 .   ? -26.841 -28.413 -27.816 1.00 20.31 ? 304 HOH B O   1 
HETATM 1593 O O   . HOH F 5 .   ? -22.662 -1.767  -9.669  1.00 23.48 ? 305 HOH B O   1 
HETATM 1594 O O   . HOH F 5 .   ? -45.568 3.694   -34.111 1.00 14.72 ? 306 HOH B O   1 
HETATM 1595 O O   . HOH F 5 .   ? -40.085 -1.092  -9.770  1.00 25.73 ? 307 HOH B O   1 
HETATM 1596 O O   . HOH F 5 .   ? -29.344 -12.294 -37.699 1.00 20.38 ? 308 HOH B O   1 
HETATM 1597 O O   . HOH F 5 .   ? -38.563 0.746   -11.896 1.00 31.75 ? 309 HOH B O   1 
HETATM 1598 O O   . HOH F 5 .   ? -45.057 7.450   -24.693 1.00 34.63 ? 310 HOH B O   1 
HETATM 1599 O O   . HOH F 5 .   ? -18.633 -21.909 -35.767 1.00 14.54 ? 311 HOH B O   1 
HETATM 1600 O O   . HOH F 5 .   ? -13.413 -23.505 -31.613 1.00 12.56 ? 312 HOH B O   1 
HETATM 1601 O O   . HOH F 5 .   ? -32.874 1.175   -33.491 1.00 18.87 ? 313 HOH B O   1 
HETATM 1602 O O   . HOH F 5 .   ? -24.554 -30.887 -21.930 1.00 29.07 ? 314 HOH B O   1 
HETATM 1603 O O   . HOH F 5 .   ? -12.694 -21.314 -18.620 1.00 25.69 ? 315 HOH B O   1 
HETATM 1604 O O   . HOH F 5 .   ? -37.926 2.876   -22.745 1.00 17.14 ? 316 HOH B O   1 
HETATM 1605 O O   . HOH F 5 .   ? -11.281 -21.073 -25.196 1.00 28.13 ? 317 HOH B O   1 
HETATM 1606 O O   . HOH F 5 .   ? -35.892 -22.412 -19.584 1.00 22.57 ? 318 HOH B O   1 
HETATM 1607 O O   . HOH F 5 .   ? -36.756 -16.182 -39.415 1.00 23.68 ? 319 HOH B O   1 
HETATM 1608 O O   . HOH F 5 .   ? -45.473 0.113   -11.799 1.00 15.19 ? 320 HOH B O   1 
HETATM 1609 O O   . HOH F 5 .   ? -47.131 1.351   -25.609 1.00 28.59 ? 321 HOH B O   1 
HETATM 1610 O O   . HOH F 5 .   ? -19.391 -29.723 -15.580 1.00 26.13 ? 322 HOH B O   1 
HETATM 1611 O O   . HOH F 5 .   ? -37.981 -14.279 -21.618 1.00 31.66 ? 323 HOH B O   1 
HETATM 1612 O O   . HOH F 5 .   ? -15.618 -5.492  -13.442 1.00 25.94 ? 324 HOH B O   1 
HETATM 1613 O O   . HOH F 5 .   ? -35.629 -19.102 -30.485 1.00 24.57 ? 325 HOH B O   1 
HETATM 1614 O O   . HOH F 5 .   ? -25.819 -22.618 -35.730 1.00 24.23 ? 326 HOH B O   1 
HETATM 1615 O O   . HOH F 5 .   ? -30.720 -6.645  -11.292 1.00 13.24 ? 327 HOH B O   1 
HETATM 1616 O O   . HOH F 5 .   ? -42.898 -15.341 -10.125 1.00 20.02 ? 328 HOH B O   1 
HETATM 1617 O O   . HOH F 5 .   ? -49.638 -1.686  -19.408 1.00 22.51 ? 329 HOH B O   1 
HETATM 1618 O O   . HOH F 5 .   ? -36.696 -25.956 -23.790 1.00 27.23 ? 330 HOH B O   1 
HETATM 1619 O O   . HOH F 5 .   ? -26.120 3.490   -35.157 1.00 30.13 ? 331 HOH B O   1 
HETATM 1620 O O   . HOH F 5 .   ? -32.861 -18.164 -37.211 1.00 28.88 ? 332 HOH B O   1 
HETATM 1621 O O   . HOH F 5 .   ? -45.031 -12.258 -26.519 1.00 28.16 ? 333 HOH B O   1 
HETATM 1622 O O   . HOH F 5 .   ? -16.139 -19.641 -15.640 1.00 20.71 ? 334 HOH B O   1 
HETATM 1623 O O   . HOH F 5 .   ? -36.269 5.580   -15.889 1.00 21.18 ? 335 HOH B O   1 
HETATM 1624 O O   . HOH F 5 .   ? -17.572 -21.325 -12.397 1.00 15.81 ? 336 HOH B O   1 
HETATM 1625 O O   . HOH F 5 .   ? -23.791 1.190   -10.679 1.00 29.56 ? 337 HOH B O   1 
HETATM 1626 O O   . HOH F 5 .   ? -37.202 -25.668 -11.469 1.00 31.23 ? 338 HOH B O   1 
HETATM 1627 O O   . HOH F 5 .   ? -38.707 -2.430  -21.316 1.00 12.73 ? 339 HOH B O   1 
HETATM 1628 O O   . HOH F 5 .   ? -23.260 4.394   -24.601 1.00 21.08 ? 340 HOH B O   1 
HETATM 1629 O O   . HOH F 5 .   ? -38.494 -7.594  -10.724 1.00 13.13 ? 341 HOH B O   1 
HETATM 1630 O O   . HOH F 5 .   ? -8.971  -13.501 -25.226 1.00 27.44 ? 342 HOH B O   1 
HETATM 1631 O O   . HOH F 5 .   ? -9.401  -18.583 -30.157 1.00 38.83 ? 343 HOH B O   1 
HETATM 1632 O O   . HOH F 5 .   ? -30.805 -20.261 -21.340 1.00 10.42 ? 344 HOH B O   1 
HETATM 1633 O O   . HOH F 5 .   ? -16.690 -5.579  -9.228  1.00 28.11 ? 345 HOH B O   1 
HETATM 1634 O O   . HOH F 5 .   ? -18.448 -4.603  -24.652 1.00 15.49 ? 346 HOH B O   1 
HETATM 1635 O O   . HOH F 5 .   ? -17.766 -19.829 -37.494 1.00 21.41 ? 347 HOH B O   1 
HETATM 1636 O O   . HOH F 5 .   ? -36.535 -23.025 -30.750 1.00 30.91 ? 348 HOH B O   1 
HETATM 1637 O O   . HOH F 5 .   ? -30.704 1.246   -17.041 1.00 21.12 ? 349 HOH B O   1 
HETATM 1638 O O   . HOH F 5 .   ? -40.826 -9.228  -36.719 1.00 21.86 ? 350 HOH B O   1 
HETATM 1639 O O   . HOH F 5 .   ? -17.605 -27.620 -19.650 1.00 15.75 ? 351 HOH B O   1 
HETATM 1640 O O   . HOH F 5 .   ? -30.165 -23.821 -34.065 1.00 20.87 ? 352 HOH B O   1 
HETATM 1641 O O   . HOH F 5 .   ? -28.376 -21.619 -8.957  1.00 15.11 ? 353 HOH B O   1 
HETATM 1642 O O   . HOH F 5 .   ? -26.524 -25.711 -16.386 1.00 15.51 ? 354 HOH B O   1 
HETATM 1643 O O   . HOH F 5 .   ? -21.118 -5.988  -2.049  1.00 41.34 ? 355 HOH B O   1 
HETATM 1644 O O   . HOH F 5 .   ? -40.180 -14.259 -31.420 1.00 12.51 ? 356 HOH B O   1 
HETATM 1645 O O   . HOH F 5 .   ? -34.046 -21.915 -31.394 1.00 17.15 ? 357 HOH B O   1 
HETATM 1646 O O   . HOH F 5 .   ? -36.160 -1.739  -33.751 1.00 15.24 ? 358 HOH B O   1 
HETATM 1647 O O   . HOH F 5 .   ? -19.325 -4.334  -22.045 1.00 12.92 ? 359 HOH B O   1 
HETATM 1648 O O   . HOH F 5 .   ? -25.749 -14.208 -3.047  1.00 24.38 ? 360 HOH B O   1 
HETATM 1649 O O   . HOH F 5 .   ? -19.188 -29.205 -23.482 1.00 21.24 ? 361 HOH B O   1 
HETATM 1650 O O   . HOH F 5 .   ? -27.770 -27.439 -25.848 1.00 24.82 ? 362 HOH B O   1 
HETATM 1651 O O   . HOH F 5 .   ? -42.477 -5.725  -12.238 1.00 15.84 ? 363 HOH B O   1 
HETATM 1652 O O   . HOH F 5 .   ? -26.484 1.985   -10.930 1.00 23.72 ? 364 HOH B O   1 
HETATM 1653 O O   . HOH F 5 .   ? -27.152 -20.306 -7.018  1.00 15.01 ? 365 HOH B O   1 
HETATM 1654 O O   . HOH F 5 .   ? -43.713 -0.585  -24.309 1.00 23.25 ? 366 HOH B O   1 
HETATM 1655 O O   . HOH F 5 .   ? -13.419 -20.983 -35.129 1.00 28.38 ? 367 HOH B O   1 
HETATM 1656 O O   . HOH F 5 .   ? -33.371 -1.815  -38.402 1.00 24.90 ? 368 HOH B O   1 
HETATM 1657 O O   . HOH F 5 .   ? -38.443 3.897   -42.212 1.00 22.01 ? 369 HOH B O   1 
HETATM 1658 O O   . HOH F 5 .   ? -36.442 -0.918  -22.079 1.00 12.08 ? 370 HOH B O   1 
HETATM 1659 O O   . HOH F 5 .   ? -32.195 -4.921  -12.908 1.00 11.22 ? 371 HOH B O   1 
HETATM 1660 O O   . HOH F 5 .   ? -36.971 0.825   -15.503 1.00 14.41 ? 372 HOH B O   1 
HETATM 1661 O O   . HOH F 5 .   ? -40.668 -14.502 -8.576  1.00 28.20 ? 373 HOH B O   1 
HETATM 1662 O O   . HOH F 5 .   ? -26.726 -17.676 -7.731  1.00 14.10 ? 374 HOH B O   1 
HETATM 1663 O O   . HOH F 5 .   ? -20.914 -16.406 -5.490  1.00 15.23 ? 375 HOH B O   1 
HETATM 1664 O O   . HOH F 5 .   ? -19.690 1.855   -30.446 1.00 28.13 ? 376 HOH B O   1 
HETATM 1665 O O   . HOH F 5 .   ? -42.170 -3.856  -39.459 1.00 18.18 ? 377 HOH B O   1 
HETATM 1666 O O   . HOH F 5 .   ? -41.603 -9.682  -43.784 1.00 26.78 ? 378 HOH B O   1 
HETATM 1667 O O   . HOH F 5 .   ? -23.286 2.342   -22.973 1.00 23.80 ? 379 HOH B O   1 
HETATM 1668 O O   . HOH F 5 .   ? -35.416 -4.543  -42.167 1.00 19.76 ? 380 HOH B O   1 
HETATM 1669 O O   . HOH F 5 .   ? -41.659 1.549   -22.484 1.00 29.93 ? 381 HOH B O   1 
HETATM 1670 O O   . HOH F 5 .   ? -17.961 -4.327  -5.905  1.00 34.98 ? 382 HOH B O   1 
HETATM 1671 O O   . HOH F 5 .   ? -40.923 -5.917  -38.051 1.00 21.51 ? 383 HOH B O   1 
HETATM 1672 O O   . HOH F 5 .   ? -23.983 -12.346 -6.514  1.00 15.80 ? 384 HOH B O   1 
HETATM 1673 O O   . HOH F 5 .   ? -23.694 -20.935 -38.905 1.00 20.04 ? 385 HOH B O   1 
HETATM 1674 O O   . HOH F 5 .   ? -45.664 -14.630 -27.644 1.00 35.96 ? 386 HOH B O   1 
HETATM 1675 O O   . HOH F 5 .   ? -18.264 -17.281 -36.352 1.00 23.76 ? 387 HOH B O   1 
HETATM 1676 O O   . HOH F 5 .   ? -41.282 -7.861  -3.332  1.00 37.13 ? 388 HOH B O   1 
HETATM 1677 O O   . HOH F 5 .   ? -10.290 -23.574 -21.925 1.00 27.14 ? 389 HOH B O   1 
HETATM 1678 O O   . HOH F 5 .   ? -9.345  -20.782 -28.806 1.00 26.46 ? 390 HOH B O   1 
HETATM 1679 O O   . HOH F 5 .   ? -12.622 -18.518 -34.661 1.00 34.23 ? 391 HOH B O   1 
HETATM 1680 O O   . HOH F 5 .   ? -24.804 -15.000 -6.822  1.00 13.43 ? 392 HOH B O   1 
HETATM 1681 O O   . HOH F 5 .   ? -35.515 -17.009 -8.140  1.00 26.52 ? 393 HOH B O   1 
HETATM 1682 O O   . HOH F 5 .   ? -25.271 -10.406 -23.539 1.00 10.91 ? 394 HOH B O   1 
HETATM 1683 O O   . HOH F 5 .   ? -33.269 -14.861 -6.980  1.00 19.03 ? 395 HOH B O   1 
HETATM 1684 O O   . HOH F 5 .   ? -33.941 -21.711 -36.624 1.00 35.66 ? 396 HOH B O   1 
HETATM 1685 O O   . HOH F 5 .   ? -45.837 -4.224  -33.911 1.00 17.05 ? 397 HOH B O   1 
HETATM 1686 O O   . HOH F 5 .   ? -45.654 -19.541 -31.610 1.00 23.16 ? 398 HOH B O   1 
HETATM 1687 O O   . HOH F 5 .   ? -31.382 3.438   -26.759 1.00 20.60 ? 399 HOH B O   1 
HETATM 1688 O O   . HOH F 5 .   ? -41.407 -8.452  -13.260 1.00 17.61 ? 400 HOH B O   1 
HETATM 1689 O O   . HOH F 5 .   ? -40.727 6.327   -33.073 1.00 24.99 ? 401 HOH B O   1 
HETATM 1690 O O   . HOH F 5 .   ? -14.897 -19.754 -37.542 1.00 21.18 ? 402 HOH B O   1 
HETATM 1691 O O   . HOH F 5 .   ? -25.696 -26.927 -23.830 1.00 15.20 ? 403 HOH B O   1 
HETATM 1692 O O   . HOH F 5 .   ? -24.936 -11.067 -4.132  1.00 20.55 ? 404 HOH B O   1 
HETATM 1693 O O   . HOH F 5 .   ? -39.929 2.748   -16.070 1.00 14.57 ? 405 HOH B O   1 
HETATM 1694 O O   . HOH F 5 .   ? -41.285 5.335   -28.359 1.00 23.36 ? 406 HOH B O   1 
HETATM 1695 O O   . HOH F 5 .   ? -9.296  -15.965 -26.511 1.00 24.73 ? 407 HOH B O   1 
HETATM 1696 O O   . HOH F 5 .   ? -18.063 -16.076 -6.117  1.00 20.24 ? 408 HOH B O   1 
HETATM 1697 O O   . HOH F 5 .   ? -30.909 4.123   -24.260 1.00 21.13 ? 409 HOH B O   1 
HETATM 1698 O O   . HOH F 5 .   ? -28.686 7.996   -30.016 1.00 26.44 ? 410 HOH B O   1 
HETATM 1699 O O   . HOH F 5 .   ? -16.068 -14.694 -8.613  1.00 28.39 ? 411 HOH B O   1 
HETATM 1700 O O   . HOH F 5 .   ? -42.301 -4.974  -43.717 1.00 19.94 ? 412 HOH B O   1 
HETATM 1701 O O   . HOH F 5 .   ? -13.149 -6.200  -29.122 1.00 28.88 ? 413 HOH B O   1 
HETATM 1702 O O   . HOH F 5 .   ? -14.299 -16.412 -32.945 1.00 24.63 ? 414 HOH B O   1 
HETATM 1703 O O   . HOH F 5 .   ? -24.916 7.138   -28.911 1.00 23.34 ? 415 HOH B O   1 
HETATM 1704 O O   . HOH F 5 .   ? -24.265 -4.256  -36.852 1.00 32.63 ? 416 HOH B O   1 
HETATM 1705 O O   . HOH F 5 .   ? -39.954 -11.320 -22.654 1.00 29.79 ? 417 HOH B O   1 
HETATM 1706 O O   . HOH F 5 .   ? -17.823 -11.092 -35.568 1.00 23.53 ? 418 HOH B O   1 
HETATM 1707 O O   . HOH F 5 .   ? -15.937 -12.166 -5.516  1.00 39.81 ? 419 HOH B O   1 
HETATM 1708 O O   . HOH F 5 .   ? -41.021 -8.687  -19.389 1.00 15.50 ? 420 HOH B O   1 
HETATM 1709 O O   . HOH F 5 .   ? -36.258 -0.074  -41.839 1.00 36.38 ? 421 HOH B O   1 
HETATM 1710 O O   . HOH F 5 .   ? -43.287 3.789   -18.814 1.00 19.15 ? 422 HOH B O   1 
HETATM 1711 O O   . HOH F 5 .   ? -34.247 -7.169  -7.921  1.00 24.64 ? 423 HOH B O   1 
HETATM 1712 O O   . HOH F 5 .   ? -40.279 -7.372  -34.759 1.00 19.37 ? 424 HOH B O   1 
HETATM 1713 O O   . HOH F 5 .   ? -52.400 -14.200 -29.002 1.00 38.32 ? 425 HOH B O   1 
HETATM 1714 O O   . HOH F 5 .   ? -35.731 -3.088  -9.905  1.00 44.33 ? 426 HOH B O   1 
HETATM 1715 O O   . HOH F 5 .   ? -19.882 2.300   -23.916 1.00 33.09 ? 427 HOH B O   1 
HETATM 1716 O O   . HOH F 5 .   ? -38.784 3.927   -13.662 1.00 30.47 ? 428 HOH B O   1 
HETATM 1717 O O   . HOH F 5 .   ? -34.590 -8.903  -6.065  1.00 39.85 ? 429 HOH B O   1 
HETATM 1718 O O   . HOH F 5 .   ? -30.788 -17.397 -42.708 1.00 30.84 ? 430 HOH B O   1 
HETATM 1719 O O   . HOH F 5 .   ? -16.052 -7.464  -11.300 1.00 24.27 ? 431 HOH B O   1 
HETATM 1720 O O   . HOH F 5 .   ? -32.684 -23.572 -33.376 1.00 32.11 ? 432 HOH B O   1 
HETATM 1721 O O   . HOH F 5 .   ? -47.668 0.000   -32.883 0.50 20.89 ? 433 HOH B O   1 
HETATM 1722 O O   . HOH F 5 .   ? -8.518  -22.893 -30.384 1.00 22.59 ? 434 HOH B O   1 
HETATM 1723 O O   . HOH F 5 .   ? -36.621 -6.534  -8.945  1.00 26.87 ? 435 HOH B O   1 
HETATM 1724 O O   . HOH F 5 .   ? -26.254 -28.248 -21.431 1.00 31.77 ? 436 HOH B O   1 
HETATM 1725 O O   . HOH F 5 .   ? -21.543 6.892   -32.263 1.00 24.76 ? 437 HOH B O   1 
HETATM 1726 O O   . HOH F 5 .   ? -40.133 5.176   -22.030 1.00 25.12 ? 438 HOH B O   1 
HETATM 1727 O O   . HOH F 5 .   ? -22.747 3.390   -20.582 1.00 34.50 ? 439 HOH B O   1 
HETATM 1728 O O   . HOH F 5 .   ? -36.605 2.301   -43.172 1.00 33.24 ? 440 HOH B O   1 
HETATM 1729 O O   . HOH F 5 .   ? -15.919 -22.288 -14.516 1.00 25.83 ? 441 HOH B O   1 
HETATM 1730 O O   . HOH F 5 .   ? -38.744 -16.537 -40.927 1.00 30.74 ? 442 HOH B O   1 
HETATM 1731 O O   . HOH F 5 .   ? -28.352 -27.691 -16.896 1.00 20.93 ? 443 HOH B O   1 
HETATM 1732 O O   . HOH F 5 .   ? -26.378 -31.080 -23.931 1.00 24.35 ? 444 HOH B O   1 
HETATM 1733 O O   . HOH F 5 .   ? -16.177 -26.906 -17.207 1.00 31.29 ? 445 HOH B O   1 
HETATM 1734 O O   . HOH F 5 .   ? -42.237 -12.875 -22.364 1.00 27.61 ? 446 HOH B O   1 
# 
