data_7HO8
# 
_entry.id   7HO8 
# 
_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   7HO8         pdb_00007ho8 10.2210/pdb7ho8/pdb 
WWPDB D_1001407722 ?            ?                   
# 
_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                        7HO8 
_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 '(benzyloxy)acetic acid'             166.174   1   ?        ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                       62.068    1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                        96.063    1   ?        ? ? ? 
5 water       nat water                                18.015    145 ?        ? ? ? 
# 
_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 '(benzyloxy)acetic acid' O1J 
3 1,2-ETHANEDIOL           EDO 
4 'SULFATE ION'            SO4 
5 water                    HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                  ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                 ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE               ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'          ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                 ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL           'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE                ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'          ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                  ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                    ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE               ?                 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                  ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                   ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE               ?                 'C5 H11 N O2 S'  149.211 
O1J non-polymer         . '(benzyloxy)acetic acid' ?                 'C9 H10 O3'      166.174 
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        O1J 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   O1J 
_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 O1J 1   201 302 O1J LIG B . 
C 3 EDO 1   202 305 EDO EDO B . 
D 4 SO4 1   203 1   SO4 SO4 B . 
E 5 HOH 1   301 11  HOH HOH B . 
E 5 HOH 2   302 4   HOH HOH B . 
E 5 HOH 3   303 12  HOH HOH B . 
E 5 HOH 4   304 2   HOH HOH B . 
E 5 HOH 5   305 1   HOH HOH B . 
E 5 HOH 6   306 29  HOH HOH B . 
E 5 HOH 7   307 5   HOH HOH B . 
E 5 HOH 8   308 40  HOH HOH B . 
E 5 HOH 9   309 21  HOH HOH B . 
E 5 HOH 10  310 26  HOH HOH B . 
E 5 HOH 11  311 25  HOH HOH B . 
E 5 HOH 12  312 281 HOH HOH B . 
E 5 HOH 13  313 95  HOH HOH B . 
E 5 HOH 14  314 63  HOH HOH B . 
E 5 HOH 15  315 72  HOH HOH B . 
E 5 HOH 16  316 90  HOH HOH B . 
E 5 HOH 17  317 34  HOH HOH B . 
E 5 HOH 18  318 27  HOH HOH B . 
E 5 HOH 19  319 16  HOH HOH B . 
E 5 HOH 20  320 10  HOH HOH B . 
E 5 HOH 21  321 11  HOH HOH B . 
E 5 HOH 22  322 102 HOH HOH B . 
E 5 HOH 23  323 184 HOH HOH B . 
E 5 HOH 24  324 62  HOH HOH B . 
E 5 HOH 25  325 51  HOH HOH B . 
E 5 HOH 26  326 70  HOH HOH B . 
E 5 HOH 27  327 39  HOH HOH B . 
E 5 HOH 28  328 31  HOH HOH B . 
E 5 HOH 29  329 20  HOH HOH B . 
E 5 HOH 30  330 36  HOH HOH B . 
E 5 HOH 31  331 16  HOH HOH B . 
E 5 HOH 32  332 89  HOH HOH B . 
E 5 HOH 33  333 86  HOH HOH B . 
E 5 HOH 34  334 33  HOH HOH B . 
E 5 HOH 35  335 2   HOH HOH B . 
E 5 HOH 36  336 19  HOH HOH B . 
E 5 HOH 37  337 80  HOH HOH B . 
E 5 HOH 38  338 32  HOH HOH B . 
E 5 HOH 39  339 55  HOH HOH B . 
E 5 HOH 40  340 18  HOH HOH B . 
E 5 HOH 41  341 26  HOH HOH B . 
E 5 HOH 42  342 129 HOH HOH B . 
E 5 HOH 43  343 99  HOH HOH B . 
E 5 HOH 44  344 126 HOH HOH B . 
E 5 HOH 45  345 27  HOH HOH B . 
E 5 HOH 46  346 68  HOH HOH B . 
E 5 HOH 47  347 22  HOH HOH B . 
E 5 HOH 48  348 93  HOH HOH B . 
E 5 HOH 49  349 58  HOH HOH B . 
E 5 HOH 50  350 7   HOH HOH B . 
E 5 HOH 51  351 267 HOH HOH B . 
E 5 HOH 52  352 100 HOH HOH B . 
E 5 HOH 53  353 85  HOH HOH B . 
E 5 HOH 54  354 10  HOH HOH B . 
E 5 HOH 55  355 81  HOH HOH B . 
E 5 HOH 56  356 29  HOH HOH B . 
E 5 HOH 57  357 28  HOH HOH B . 
E 5 HOH 58  358 4   HOH HOH B . 
E 5 HOH 59  359 3   HOH HOH B . 
E 5 HOH 60  360 43  HOH HOH B . 
E 5 HOH 61  361 76  HOH HOH B . 
E 5 HOH 62  362 157 HOH HOH B . 
E 5 HOH 63  363 82  HOH HOH B . 
E 5 HOH 64  364 50  HOH HOH B . 
E 5 HOH 65  365 15  HOH HOH B . 
E 5 HOH 66  366 66  HOH HOH B . 
E 5 HOH 67  367 14  HOH HOH B . 
E 5 HOH 68  368 73  HOH HOH B . 
E 5 HOH 69  369 116 HOH HOH B . 
E 5 HOH 70  370 172 HOH HOH B . 
E 5 HOH 71  371 47  HOH HOH B . 
E 5 HOH 72  372 1   HOH HOH B . 
E 5 HOH 73  373 13  HOH HOH B . 
E 5 HOH 74  374 61  HOH HOH B . 
E 5 HOH 75  375 71  HOH HOH B . 
E 5 HOH 76  376 211 HOH HOH B . 
E 5 HOH 77  377 6   HOH HOH B . 
E 5 HOH 78  378 304 HOH HOH B . 
E 5 HOH 79  379 24  HOH HOH B . 
E 5 HOH 80  380 8   HOH HOH B . 
E 5 HOH 81  381 59  HOH HOH B . 
E 5 HOH 82  382 303 HOH HOH B . 
E 5 HOH 83  383 17  HOH HOH B . 
E 5 HOH 84  384 32  HOH HOH B . 
E 5 HOH 85  385 12  HOH HOH B . 
E 5 HOH 86  386 3   HOH HOH B . 
E 5 HOH 87  387 46  HOH HOH B . 
E 5 HOH 88  388 197 HOH HOH B . 
E 5 HOH 89  389 9   HOH HOH B . 
E 5 HOH 90  390 64  HOH HOH B . 
E 5 HOH 91  391 125 HOH HOH B . 
E 5 HOH 92  392 137 HOH HOH B . 
E 5 HOH 93  393 97  HOH HOH B . 
E 5 HOH 94  394 25  HOH HOH B . 
E 5 HOH 95  395 56  HOH HOH B . 
E 5 HOH 96  396 42  HOH HOH B . 
E 5 HOH 97  397 156 HOH HOH B . 
E 5 HOH 98  398 48  HOH HOH B . 
E 5 HOH 99  399 23  HOH HOH B . 
E 5 HOH 100 400 33  HOH HOH B . 
E 5 HOH 101 401 30  HOH HOH B . 
E 5 HOH 102 402 60  HOH HOH B . 
E 5 HOH 103 403 20  HOH HOH B . 
E 5 HOH 104 404 264 HOH HOH B . 
E 5 HOH 105 405 8   HOH HOH B . 
E 5 HOH 106 406 45  HOH HOH B . 
E 5 HOH 107 407 22  HOH HOH B . 
E 5 HOH 108 408 140 HOH HOH B . 
E 5 HOH 109 409 112 HOH HOH B . 
E 5 HOH 110 410 57  HOH HOH B . 
E 5 HOH 111 411 49  HOH HOH B . 
E 5 HOH 112 412 54  HOH HOH B . 
E 5 HOH 113 413 7   HOH HOH B . 
E 5 HOH 114 414 15  HOH HOH B . 
E 5 HOH 115 415 38  HOH HOH B . 
E 5 HOH 116 416 154 HOH HOH B . 
E 5 HOH 117 417 257 HOH HOH B . 
E 5 HOH 118 418 53  HOH HOH B . 
E 5 HOH 119 419 120 HOH HOH B . 
E 5 HOH 120 420 69  HOH HOH B . 
E 5 HOH 121 421 5   HOH HOH B . 
E 5 HOH 122 422 18  HOH HOH B . 
E 5 HOH 123 423 41  HOH HOH B . 
E 5 HOH 124 424 44  HOH HOH B . 
E 5 HOH 125 425 19  HOH HOH B . 
E 5 HOH 126 426 103 HOH HOH B . 
E 5 HOH 127 427 133 HOH HOH B . 
E 5 HOH 128 428 263 HOH HOH B . 
E 5 HOH 129 429 30  HOH HOH B . 
E 5 HOH 130 430 114 HOH HOH B . 
E 5 HOH 131 431 115 HOH HOH B . 
E 5 HOH 132 432 107 HOH HOH B . 
E 5 HOH 133 433 266 HOH HOH B . 
E 5 HOH 134 434 13  HOH HOH B . 
E 5 HOH 135 435 23  HOH HOH B . 
E 5 HOH 136 436 21  HOH HOH B . 
E 5 HOH 137 437 98  HOH HOH B . 
E 5 HOH 138 438 104 HOH HOH B . 
E 5 HOH 139 439 166 HOH HOH B . 
E 5 HOH 140 440 205 HOH HOH B . 
E 5 HOH 141 441 127 HOH HOH B . 
E 5 HOH 142 442 14  HOH HOH B . 
E 5 HOH 143 443 131 HOH HOH B . 
E 5 HOH 144 444 270 HOH HOH B . 
E 5 HOH 145 445 259 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     0.7.15   02/11/23        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           7HO8 
_cell.length_a           95.627 
_cell.length_b           95.627 
_cell.length_c           45.747 
_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                         7HO8 
_symmetry.Int_Tables_number                79 
_symmetry.space_group_name_H-M             'I 4' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
# 
_exptl.crystals_number   1 
_exptl.entry_id          7HO8 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.140 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.42 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.20 
_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                     7HO8 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             47.810 
_reflns.d_resolution_high            1.390 
_reflns.number_obs                   40439 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         96.700 
_reflns.pdbx_Rmerge_I_obs            0.133 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        15.100 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              9.600 
_reflns.pdbx_Rrim_I_all              0.140 
_reflns.pdbx_Rpim_I_all              0.044 
_reflns.pdbx_CC_half                 0.998 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     387308 
_reflns.pdbx_scaling_rejects         853 
_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 1.390 1.460  ? 39166 5308 ? 2.283 ? ? ? 7.400 ? 2.200  ? ? ? ? ? ? 88.100 2.442 0.849 0.423 
1 2 4.390 47.810 ? 13366 1388 ? 0.036 ? ? ? 9.600 ? 45.800 ? ? ? ? ? ? 99.900 0.038 0.012 0.999 
# 
_refine.entry_id                                 7HO8 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3900 
_refine.ls_d_res_low                             47.8600 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    96.1300 
_refine.ls_number_reflns_obs                     38323 
_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                          0.1773 
_refine.ls_R_factor_R_work                       0.1763 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1966 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  1955 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               13.6390 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.2300 
_refine.aniso_B[2][2]                            0.2300 
_refine.aniso_B[3][3]                            -0.4500 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9640 
_refine.correlation_coeff_Fo_to_Fc_free          0.9560 
_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                       0.0630 
_refine.pdbx_overall_ESU_R_Free                  0.0630 
_refine.overall_SU_ML                            0.0430 
_refine.overall_SU_B                             1.1290 
_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                                64.710 
_refine.B_iso_min                                6.190 
_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                       1.3900 
_refine_hist.d_res_low                        47.8600 
_refine_hist.pdbx_number_atoms_ligand         21 
_refine_hist.number_atoms_solvent             145 
_refine_hist.number_atoms_total               1659 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           26.09 
_refine_hist.pdbx_B_iso_mean_solvent          23.99 
_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       1987 0.012  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1603 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2496 1.825  1.640  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3700 1.451  1.579  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.090  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 107  27.804 21.215 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  11.329 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.126 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         217  0.088  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2222 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     496  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            947  1.231  1.226  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.209  1.211  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 1.943  1.822  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3880 
_refine_ls_shell.d_res_low                        1.4240 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               81.8500 
_refine_ls_shell.number_reflns_R_work             2420 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.2960 
_refine_ls_shell.R_factor_R_free                  0.2570 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             128 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2548 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HO8 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z993967070' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HO8 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 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              7HO8 
_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 7HO8 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HO8 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HO8 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HO8 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HO8 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HO8 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HO8 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HO8 MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -1.62 
# 
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                   7HO8 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                128.21 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            16.41 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 SER B 67  ? B 179.48  158.74 
2 1 ASP B 152 ? ? -103.92 52.03  
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     430 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
O1J C4   C Y N 260 
O1J C5   C Y N 261 
O1J C6   C Y N 262 
O1J C7   C Y N 263 
O1J C8   C Y N 264 
O1J C    C N N 265 
O1J O    O N N 266 
O1J C1   C N N 267 
O1J C2   C N N 268 
O1J C3   C Y N 269 
O1J O1   O N N 270 
O1J O2   O N N 271 
O1J H1   H N N 272 
O1J H2   H N N 273 
O1J H3   H N N 274 
O1J H4   H N N 275 
O1J H5   H N N 276 
O1J H6   H N N 277 
O1J H7   H N N 278 
O1J H8   H N N 279 
O1J H9   H N N 280 
O1J H10  H N N 281 
PHE N    N N N 282 
PHE CA   C N S 283 
PHE C    C N N 284 
PHE O    O N N 285 
PHE CB   C N N 286 
PHE CG   C Y N 287 
PHE CD1  C Y N 288 
PHE CD2  C Y N 289 
PHE CE1  C Y N 290 
PHE CE2  C Y N 291 
PHE CZ   C Y N 292 
PHE OXT  O N N 293 
PHE H    H N N 294 
PHE H2   H N N 295 
PHE HA   H N N 296 
PHE HB2  H N N 297 
PHE HB3  H N N 298 
PHE HD1  H N N 299 
PHE HD2  H N N 300 
PHE HE1  H N N 301 
PHE HE2  H N N 302 
PHE HZ   H N N 303 
PHE HXT  H N N 304 
PRO N    N N N 305 
PRO CA   C N S 306 
PRO C    C N N 307 
PRO O    O N N 308 
PRO CB   C N N 309 
PRO CG   C N N 310 
PRO CD   C N N 311 
PRO OXT  O N N 312 
PRO H    H N N 313 
PRO HA   H N N 314 
PRO HB2  H N N 315 
PRO HB3  H N N 316 
PRO HG2  H N N 317 
PRO HG3  H N N 318 
PRO HD2  H N N 319 
PRO HD3  H N N 320 
PRO HXT  H N N 321 
SER N    N N N 322 
SER CA   C N S 323 
SER C    C N N 324 
SER O    O N N 325 
SER CB   C N N 326 
SER OG   O N N 327 
SER OXT  O N N 328 
SER H    H N N 329 
SER H2   H N N 330 
SER HA   H N N 331 
SER HB2  H N N 332 
SER HB3  H N N 333 
SER HG   H N N 334 
SER HXT  H N N 335 
SO4 S    S N N 336 
SO4 O1   O N N 337 
SO4 O2   O N N 338 
SO4 O3   O N N 339 
SO4 O4   O N N 340 
THR N    N N N 341 
THR CA   C N S 342 
THR C    C N N 343 
THR O    O N N 344 
THR CB   C N R 345 
THR OG1  O N N 346 
THR CG2  C N N 347 
THR OXT  O N N 348 
THR H    H N N 349 
THR H2   H N N 350 
THR HA   H N N 351 
THR HB   H N N 352 
THR HG1  H N N 353 
THR HG21 H N N 354 
THR HG22 H N N 355 
THR HG23 H N N 356 
THR HXT  H N N 357 
TRP N    N N N 358 
TRP CA   C N S 359 
TRP C    C N N 360 
TRP O    O N N 361 
TRP CB   C N N 362 
TRP CG   C Y N 363 
TRP CD1  C Y N 364 
TRP CD2  C Y N 365 
TRP NE1  N Y N 366 
TRP CE2  C Y N 367 
TRP CE3  C Y N 368 
TRP CZ2  C Y N 369 
TRP CZ3  C Y N 370 
TRP CH2  C Y N 371 
TRP OXT  O N N 372 
TRP H    H N N 373 
TRP H2   H N N 374 
TRP HA   H N N 375 
TRP HB2  H N N 376 
TRP HB3  H N N 377 
TRP HD1  H N N 378 
TRP HE1  H N N 379 
TRP HE3  H N N 380 
TRP HZ2  H N N 381 
TRP HZ3  H N N 382 
TRP HH2  H N N 383 
TRP HXT  H N N 384 
TYR N    N N N 385 
TYR CA   C N S 386 
TYR C    C N N 387 
TYR O    O N N 388 
TYR CB   C N N 389 
TYR CG   C Y N 390 
TYR CD1  C Y N 391 
TYR CD2  C Y N 392 
TYR CE1  C Y N 393 
TYR CE2  C Y N 394 
TYR CZ   C Y N 395 
TYR OH   O N N 396 
TYR OXT  O N N 397 
TYR H    H N N 398 
TYR H2   H N N 399 
TYR HA   H N N 400 
TYR HB2  H N N 401 
TYR HB3  H N N 402 
TYR HD1  H N N 403 
TYR HD2  H N N 404 
TYR HE1  H N N 405 
TYR HE2  H N N 406 
TYR HH   H N N 407 
TYR HXT  H N N 408 
VAL N    N N N 409 
VAL CA   C N S 410 
VAL C    C N N 411 
VAL O    O N N 412 
VAL CB   C N N 413 
VAL CG1  C N N 414 
VAL CG2  C N N 415 
VAL OXT  O N N 416 
VAL H    H N N 417 
VAL H2   H N N 418 
VAL HA   H N N 419 
VAL HB   H N N 420 
VAL HG11 H N N 421 
VAL HG12 H N N 422 
VAL HG13 H N N 423 
VAL HG21 H N N 424 
VAL HG22 H N N 425 
VAL HG23 H N N 426 
VAL HXT  H N N 427 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
O1J C7  C6   doub Y N 246 
O1J C7  C8   sing Y N 247 
O1J C6  C5   sing Y N 248 
O1J C8  C3   doub Y N 249 
O1J C5  C4   doub Y N 250 
O1J C3  C4   sing Y N 251 
O1J C3  C2   sing N N 252 
O1J C2  O2   sing N N 253 
O1J O2  C1   sing N N 254 
O1J C1  C    sing N N 255 
O1J C   O1   doub N N 256 
O1J C   O    sing N N 257 
O1J C4  H1   sing N N 258 
O1J C5  H2   sing N N 259 
O1J C6  H3   sing N N 260 
O1J C7  H4   sing N N 261 
O1J C8  H5   sing N N 262 
O1J O   H6   sing N N 263 
O1J C1  H7   sing N N 264 
O1J C1  H8   sing N N 265 
O1J C2  H9   sing N N 266 
O1J C2  H10  sing N N 267 
PHE N   CA   sing N N 268 
PHE N   H    sing N N 269 
PHE N   H2   sing N N 270 
PHE CA  C    sing N N 271 
PHE CA  CB   sing N N 272 
PHE CA  HA   sing N N 273 
PHE C   O    doub N N 274 
PHE C   OXT  sing N N 275 
PHE CB  CG   sing N N 276 
PHE CB  HB2  sing N N 277 
PHE CB  HB3  sing N N 278 
PHE CG  CD1  doub Y N 279 
PHE CG  CD2  sing Y N 280 
PHE CD1 CE1  sing Y N 281 
PHE CD1 HD1  sing N N 282 
PHE CD2 CE2  doub Y N 283 
PHE CD2 HD2  sing N N 284 
PHE CE1 CZ   doub Y N 285 
PHE CE1 HE1  sing N N 286 
PHE CE2 CZ   sing Y N 287 
PHE CE2 HE2  sing N N 288 
PHE CZ  HZ   sing N N 289 
PHE OXT HXT  sing N N 290 
PRO N   CA   sing N N 291 
PRO N   CD   sing N N 292 
PRO N   H    sing N N 293 
PRO CA  C    sing N N 294 
PRO CA  CB   sing N N 295 
PRO CA  HA   sing N N 296 
PRO C   O    doub N N 297 
PRO C   OXT  sing N N 298 
PRO CB  CG   sing N N 299 
PRO CB  HB2  sing N N 300 
PRO CB  HB3  sing N N 301 
PRO CG  CD   sing N N 302 
PRO CG  HG2  sing N N 303 
PRO CG  HG3  sing N N 304 
PRO CD  HD2  sing N N 305 
PRO CD  HD3  sing N N 306 
PRO OXT HXT  sing N N 307 
SER N   CA   sing N N 308 
SER N   H    sing N N 309 
SER N   H2   sing N N 310 
SER CA  C    sing N N 311 
SER CA  CB   sing N N 312 
SER CA  HA   sing N N 313 
SER C   O    doub N N 314 
SER C   OXT  sing N N 315 
SER CB  OG   sing N N 316 
SER CB  HB2  sing N N 317 
SER CB  HB3  sing N N 318 
SER OG  HG   sing N N 319 
SER OXT HXT  sing N N 320 
SO4 S   O1   doub N N 321 
SO4 S   O2   doub N N 322 
SO4 S   O3   sing N N 323 
SO4 S   O4   sing N N 324 
THR N   CA   sing N N 325 
THR N   H    sing N N 326 
THR N   H2   sing N N 327 
THR CA  C    sing N N 328 
THR CA  CB   sing N N 329 
THR CA  HA   sing N N 330 
THR C   O    doub N N 331 
THR C   OXT  sing N N 332 
THR CB  OG1  sing N N 333 
THR CB  CG2  sing N N 334 
THR CB  HB   sing N N 335 
THR OG1 HG1  sing N N 336 
THR CG2 HG21 sing N N 337 
THR CG2 HG22 sing N N 338 
THR CG2 HG23 sing N N 339 
THR OXT HXT  sing N N 340 
TRP N   CA   sing N N 341 
TRP N   H    sing N N 342 
TRP N   H2   sing N N 343 
TRP CA  C    sing N N 344 
TRP CA  CB   sing N N 345 
TRP CA  HA   sing N N 346 
TRP C   O    doub N N 347 
TRP C   OXT  sing N N 348 
TRP CB  CG   sing N N 349 
TRP CB  HB2  sing N N 350 
TRP CB  HB3  sing N N 351 
TRP CG  CD1  doub Y N 352 
TRP CG  CD2  sing Y N 353 
TRP CD1 NE1  sing Y N 354 
TRP CD1 HD1  sing N N 355 
TRP CD2 CE2  doub Y N 356 
TRP CD2 CE3  sing Y N 357 
TRP NE1 CE2  sing Y N 358 
TRP NE1 HE1  sing N N 359 
TRP CE2 CZ2  sing Y N 360 
TRP CE3 CZ3  doub Y N 361 
TRP CE3 HE3  sing N N 362 
TRP CZ2 CH2  doub Y N 363 
TRP CZ2 HZ2  sing N N 364 
TRP CZ3 CH2  sing Y N 365 
TRP CZ3 HZ3  sing N N 366 
TRP CH2 HH2  sing N N 367 
TRP OXT HXT  sing N N 368 
TYR N   CA   sing N N 369 
TYR N   H    sing N N 370 
TYR N   H2   sing N N 371 
TYR CA  C    sing N N 372 
TYR CA  CB   sing N N 373 
TYR CA  HA   sing N N 374 
TYR C   O    doub N N 375 
TYR C   OXT  sing N N 376 
TYR CB  CG   sing N N 377 
TYR CB  HB2  sing N N 378 
TYR CB  HB3  sing N N 379 
TYR CG  CD1  doub Y N 380 
TYR CG  CD2  sing Y N 381 
TYR CD1 CE1  sing Y N 382 
TYR CD1 HD1  sing N N 383 
TYR CD2 CE2  doub Y N 384 
TYR CD2 HD2  sing N N 385 
TYR CE1 CZ   doub Y N 386 
TYR CE1 HE1  sing N N 387 
TYR CE2 CZ   sing Y N 388 
TYR CE2 HE2  sing N N 389 
TYR CZ  OH   sing N N 390 
TYR OH  HH   sing N N 391 
TYR OXT HXT  sing N N 392 
VAL N   CA   sing N N 393 
VAL N   H    sing N N 394 
VAL N   H2   sing N N 395 
VAL CA  C    sing N N 396 
VAL CA  CB   sing N N 397 
VAL CA  HA   sing N N 398 
VAL C   O    doub N N 399 
VAL C   OXT  sing N N 400 
VAL CB  CG1  sing N N 401 
VAL CB  CG2  sing N N 402 
VAL CB  HB   sing N N 403 
VAL CG1 HG11 sing N N 404 
VAL CG1 HG12 sing N N 405 
VAL CG1 HG13 sing N N 406 
VAL CG2 HG21 sing N N 407 
VAL CG2 HG22 sing N N 408 
VAL CG2 HG23 sing N N 409 
VAL OXT HXT  sing N N 410 
# 
_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                    7HO8 
_atom_sites.fract_transf_matrix[1][1]   0.010457 
_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]   0.010457 
_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]   0.021859 
_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   ? -13.410 -12.800 -9.835  1.00 53.72 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.868 -13.446 -11.091 1.00 49.15 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.754 -12.584 -11.693 1.00 48.05 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.656 -11.379 -11.341 1.00 51.36 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.988 -13.701 -12.125 1.00 43.45 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.579 -12.468 -12.742 1.00 38.87 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -14.039 -11.869 -13.874 1.00 38.46 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.672 -11.736 -12.421 1.00 35.98 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.755 -10.806 -14.197 1.00 37.49 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.761 -10.691 -13.317 1.00 33.21 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -11.008 -13.168 -12.629 1.00 43.97 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.883  -12.534 -13.365 1.00 44.05 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.083 -12.690 -14.889 1.00 38.41 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.079  -12.913 -15.594 1.00 39.02 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.562  -13.108 -12.802 1.00 52.95 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.420  -12.921 -11.317 1.00 59.74 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.273  -11.667 -10.729 1.00 61.85 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.424  -13.810 -10.295 1.00 63.96 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -8.189  -11.797 -9.418  1.00 61.65 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.274  -13.102 -9.126  1.00 64.71 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.324 -12.523 -15.399 1.00 31.40 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.706 -12.725 -16.832 1.00 25.14 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.687 -11.394 -17.590 1.00 25.38 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.880 -11.387 -18.826 1.00 23.56 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.108 -13.355 -16.981 1.00 25.32 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.258 -14.704 -16.366 1.00 25.10 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.354 -15.746 -16.582 1.00 23.70 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.224 -15.208 -15.565 1.00 23.38 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.767 -16.823 -15.939 1.00 28.97 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.912 -16.518 -15.309 1.00 27.46 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.481 -10.282 -16.877 1.00 26.37 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.600 -8.900  -17.414 1.00 28.08 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.726 -8.692  -18.662 1.00 27.10 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.190 -7.988  -19.580 1.00 26.73 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.289 -7.860  -16.322 1.00 34.66 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.176 -7.991  -15.131 1.00 39.69 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.853 -8.815  -14.049 1.00 47.92 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.374 -7.426  -14.841 1.00 41.92 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.816 -8.747  -13.142 1.00 47.10 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.772 -7.904  -13.609 1.00 44.12 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.531  -9.299  -18.726 1.00 26.17 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.573  -9.160  -19.852 1.00 25.59 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.106  -9.781  -21.148 1.00 23.81 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.495  -9.531  -22.193 1.00 24.55 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.200  -9.749  -19.493 1.00 28.88 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.227  -11.183 -19.094 1.00 29.28 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.616  -12.176 -19.850 1.00 35.41 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.747  -11.797 -18.012 1.00 30.58 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.773  -13.339 -19.260 1.00 29.37 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.466  -13.139 -18.131 1.00 36.91 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.181 -10.581 -21.111 1.00 20.33 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.847 -11.125 -22.332 1.00 17.18 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.967 -10.197 -22.799 1.00 16.05 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.801 -10.655 -23.592 1.00 13.70 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.377 -12.527 -22.084 1.00 16.89 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.318 -13.502 -21.643 1.00 17.52 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.268  -13.834 -22.493 1.00 17.70 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.183 -14.221 -20.513 1.00 18.92 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.506  -14.706 -21.876 1.00 17.73 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -9.031  -14.965 -20.656 1.00 20.19 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -12.025 -8.987  -22.276 1.00 16.43 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -13.038 -7.976  -22.636 1.00 18.61 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.123 -7.841  -24.155 1.00 18.02 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.093 -7.730  -24.870 1.00 19.72 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.693 -6.619  -22.013 1.00 22.90 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.729 -5.511  -22.238 1.00 28.14 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.318 -5.747  -21.319 1.00 39.10 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.871 -5.138  -19.697 1.00 34.04 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.339 -7.832  -24.669 1.00 15.21 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.653 -7.610  -26.105 1.00 16.28 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.650 -6.440  -26.179 1.00 17.15 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.519 -6.302  -25.295 1.00 16.71 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.171 -8.859  -26.842 1.00 17.83 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.084 -9.909  -26.934 1.00 19.88 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.393 -9.464  -26.193 1.00 18.08 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.562 -5.653  -27.242 1.00 17.83 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.434 -4.483  -27.472 1.00 16.88 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.656 -4.966  -28.252 1.00 16.49 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.565 -5.318  -29.446 1.00 19.33 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.652 -3.397  -28.208 1.00 16.80 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.428 -2.128  -28.406 1.00 21.19 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.564 -1.174  -27.429 1.00 23.59 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.170 -1.708  -29.460 1.00 23.83 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.319 -0.179  -27.888 1.00 22.09 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.695 -0.485  -29.144 1.00 27.60 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.775 -5.080  -27.555 1.00 12.90 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -20.017 -5.586  -28.178 1.00 13.31 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.836 -4.400  -28.715 1.00 13.35 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.905 -3.398  -28.045 1.00 13.73 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.823 -6.430  -27.166 1.00 12.93 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -20.017 -7.641  -26.669 1.00 13.82 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.160 -6.833  -27.770 1.00 12.09 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.459 -8.538  -27.766 1.00 13.99 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.427 -4.589  -29.879 1.00 12.61 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.411 -3.613  -30.409 1.00 13.39 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.664 -4.366  -30.808 1.00 13.27 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.634 -5.593  -31.077 1.00 13.99 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.823 -2.796  -31.560 1.00 15.05 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.467 -3.694  -32.596 1.00 16.49 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.692 -1.899  -31.097 1.00 17.43 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.799 -3.657  -30.763 1.00 11.32 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.074 -4.309  -31.107 1.00 12.32 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.360 -4.302  -32.617 1.00 12.83 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.048 -3.284  -33.275 1.00 13.39 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.171 -3.588  -30.331 1.00 12.24 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.975 -3.638  -28.821 1.00 12.60 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.953 -2.733  -28.089 1.00 13.22 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.075 -5.078  -28.310 1.00 13.27 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.969 -5.347  -33.112 1.00 11.64 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.330 -5.528  -34.536 1.00 12.01 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.815 -5.124  -34.710 1.00 13.21 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.687 -5.901  -34.420 1.00 12.00 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.027 -6.942  -35.019 1.00 11.66 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.299 -7.203  -36.480 1.00 15.67 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.925 -6.309  -37.100 1.00 15.46 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.014 -8.333  -36.972 1.00 15.37 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.017 -3.876  -35.161 0.25 13.58 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.040 -3.889  -35.165 0.25 14.49 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.338 -3.262  -35.488 0.25 14.39 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.398 -3.314  -35.387 0.25 15.84 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.235 -4.237  -36.248 0.25 14.11 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.258 -4.238  -36.256 0.25 14.98 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.463 -4.251  -35.995 0.25 13.48 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.496 -4.248  -36.061 0.25 14.11 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.181 -2.037  -36.403 0.25 15.32 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.308 -1.937  -36.059 0.25 18.33 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.176 -1.005  -35.920 0.25 16.85 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.859 -0.819  -35.133 0.25 21.26 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.353 0.357   -36.576 0.25 16.80 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.399 -0.451  -35.341 0.25 24.59 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.762 1.372   -35.723 0.25 16.87 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.168 0.600   -36.333 0.25 26.94 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.418 1.979   -34.755 0.25 16.56 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.627 0.425   -37.540 0.25 29.85 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.690 1.694   -34.576 0.25 17.39 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.261 -0.773  -37.962 0.25 30.77 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.822 2.876   -33.995 0.25 17.42 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.456 1.465   -38.333 0.25 31.26 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.663 -4.960  -37.210 1.00 14.07 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.448 -5.827  -38.121 1.00 14.88 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.133 -6.972  -37.381 1.00 13.52 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.154 -7.456  -37.873 1.00 13.60 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.626 -6.282  -39.334 1.00 19.02 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.489 -5.144  -40.325 1.00 25.05 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.247 -4.172  -40.295 1.00 34.42 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.495 -5.239  -41.187 1.00 35.85 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.604 -7.422  -36.220 1.00 11.28 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.179 -8.530  -35.456 1.00 10.89 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.215 -8.035  -34.448 1.00 9.82  ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.887 -8.876  -33.856 1.00 9.74  ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.086 -9.311  -34.693 1.00 11.04 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.507 -8.487  -33.678 1.00 11.34 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.048 -9.867  -35.657 1.00 12.04 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.296 -6.721  -34.210 1.00 9.61  ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.115 -6.154  -33.105 1.00 9.41  ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.587 -6.362  -33.404 1.00 9.97  ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.067 -6.069  -34.522 1.00 11.08 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.790 -4.713  -32.955 1.00 9.49  ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.360 -6.707  -32.402 1.00 10.52 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.822 -6.493  -32.412 1.00 9.46  ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.105 -5.040  -32.850 1.00 9.06  ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.391 -4.095  -32.521 1.00 8.93  ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.367 -6.857  -31.040 1.00 10.04 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.830 -6.551  -30.970 1.00 10.54 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.227 -5.444  -30.639 1.00 11.61 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.610 -7.493  -31.394 1.00 13.07 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.177 -4.875  -33.605 1.00 8.61  ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.554 -3.592  -34.248 1.00 9.36  ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.939 -2.514  -33.243 1.00 9.57  ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.055 -1.388  -33.718 1.00 10.24 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.674 -3.790  -35.245 1.00 10.82 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.792 -4.309  -34.559 1.00 12.01 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.109 -2.792  -31.959 1.00 9.16  ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.434 -1.780  -30.931 1.00 8.92  ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.184 -1.304  -30.221 1.00 9.75  ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.272 -0.385  -29.426 1.00 10.52 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.449 -2.334  -29.966 1.00 9.56  ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.846 -2.406  -30.529 1.00 9.89  ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.239 -2.951  -31.719 1.00 10.36 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -44.014 -1.953  -29.854 1.00 11.06 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.608 -2.811  -31.848 1.00 11.50 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.098 -2.279  -30.698 1.00 10.47 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.258 -1.354  -28.609 1.00 11.08 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.408 -1.907  -30.359 1.00 12.80 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.565 -1.075  -28.236 1.00 12.22 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.604 -1.385  -29.092 1.00 13.16 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -38.025 -1.892  -30.548 1.00 9.28  ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.794 -1.488  -29.827 1.00 10.01 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.181 -0.227  -30.445 1.00 10.62 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.163 -0.031  -31.649 1.00 11.11 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.785 -2.636  -29.870 1.00 8.69  ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.199 -3.902  -29.131 1.00 9.31  ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.060 -4.911  -29.113 1.00 9.34  ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.643 -3.653  -27.713 1.00 10.96 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.551 0.542   -29.580 1.00 9.46  ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.787 1.770   -29.928 1.00 10.30 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.344 1.527   -29.494 1.00 10.75 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.078 1.409   -28.273 1.00 11.06 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.370 2.999   -29.238 1.00 10.80 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.874 3.246   -29.565 1.00 11.76 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.513 4.231   -29.599 1.00 12.41 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.554 4.296   -28.783 1.00 13.42 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.468 1.470   -30.473 1.00 13.23 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -31.010 1.281   -30.254 1.00 13.45 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.302 2.604   -30.438 1.00 15.16 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.576 3.344   -31.420 1.00 14.66 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.486 0.210   -31.199 1.00 14.14 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.060 -1.142  -30.807 1.00 17.38 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.948 0.176   -31.200 1.00 14.48 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.846 -2.153  -31.771 1.00 19.08 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.452 2.962   -29.501 1.00 13.40 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.754 4.251   -29.533 1.00 13.94 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.839 4.325   -30.770 1.00 13.69 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.462 3.304   -31.361 1.00 14.71 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.965 4.407   -28.277 1.00 14.88 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -27.029 3.326   -28.155 1.00 15.05 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.450 5.562   -31.137 1.00 17.18 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.530 5.809   -32.273 1.00 16.89 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.251 4.969   -32.166 1.00 15.91 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.777 4.510   -33.214 1.00 18.75 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.162 7.295   -32.283 1.00 19.60 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.280 7.663   -33.448 1.00 22.25 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.402 9.125   -33.780 1.00 22.24 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.188 9.980   -32.562 1.00 25.52 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.322 11.389  -32.954 1.00 27.40 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.672 4.888   -30.970 1.00 16.33 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.404 4.140   -30.766 1.00 15.20 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.631 2.619   -30.736 1.00 14.96 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.637 1.894   -30.590 1.00 14.97 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.677 4.642   -29.526 1.00 15.62 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.360 4.384   -28.188 1.00 15.93 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.449 3.724   -28.170 1.00 15.74 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.764 4.788   -27.162 1.00 19.62 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.864 2.148   -30.833 1.00 13.48 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.224 0.715   -30.858 1.00 13.31 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.796 0.049   -29.532 1.00 11.41 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.634 -1.196  -29.523 1.00 11.53 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.690 0.045   -32.129 1.00 16.88 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.315 0.676   -33.371 1.00 20.54 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -25.013 -0.006  -34.653 1.00 27.66 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.599 -0.158  -34.896 1.00 33.76 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.897 -1.308  -34.833 1.00 47.16 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.451 -2.485  -34.514 1.00 42.43 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.601 -1.264  -35.115 1.00 51.93 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.743 0.787   -28.443 1.00 10.58 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.370 0.255   -27.110 1.00 11.61 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.531 0.248   -26.113 1.00 11.88 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.375 -0.351  -25.015 1.00 12.66 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.210 1.046   -26.506 1.00 12.29 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.968 0.988   -27.380 1.00 14.73 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.140 -0.243  -27.166 1.00 15.38 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.384 -0.070  -25.912 1.00 16.88 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.630 -1.009  -25.344 1.00 16.27 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.566 -2.192  -25.894 1.00 16.14 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.989 -0.756  -24.217 1.00 17.93 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.697 0.823   -26.438 1.00 10.45 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.861 0.848   -25.533 1.00 11.06 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.121 0.495   -26.308 1.00 10.52 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.229 0.757   -27.521 1.00 10.83 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -28.075 2.238   -24.925 1.00 12.81 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.823 2.835   -24.316 1.00 16.84 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.155 4.069   -23.527 1.00 20.52 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.312 4.312   -23.142 1.00 23.43 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.137 4.882   -23.321 1.00 23.92 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -30.048 -0.154  -25.606 1.00 9.55  ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.345 -0.560  -26.204 1.00 9.32  ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.435 -0.381  -25.152 1.00 9.86  ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.258 -0.773  -24.017 1.00 9.37  ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.259 -1.964  -26.812 1.00 9.32  ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.817 -3.030  -25.813 1.00 9.29  ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.580 -2.331  -27.468 1.00 10.22 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.583 0.128   -25.582 1.00 9.58  ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.780 0.157   -24.725 1.00 10.20 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -36.017 -0.141  -25.569 1.00 10.25 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.996 -0.022  -26.811 1.00 8.81  ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.920 1.505   -24.016 1.00 11.28 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.176 2.662   -24.962 1.00 13.41 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.114 3.980   -24.205 1.00 15.11 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.422 5.074   -25.118 1.00 18.31 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.624 5.558   -25.382 1.00 16.69 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.714 5.053   -24.838 1.00 20.30 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.715 6.602   -26.207 1.00 22.87 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -37.082 -0.478  -24.841 0.26 10.37 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -37.091 -0.558  -24.915 0.30 10.01 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.446 -0.722  -25.373 0.26 11.05 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.337 -0.806  -25.680 0.30 10.09 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -39.111 0.628   -25.670 0.26 11.00 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.166 0.480   -25.695 0.30 10.58 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -39.210 1.440   -24.749 0.26 11.01 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.456 1.042   -24.600 0.30 10.19 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.245 -1.486  -24.309 0.26 11.36 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.154 -1.952  -25.089 0.30 10.12 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.624 -1.944  -24.757 0.26 11.97 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.480 -2.154  -25.824 0.30 10.55 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.522 -2.992  -26.237 0.26 12.90 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.393 -3.545  -25.114 0.30 10.67 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.060 -3.900  -26.136 0.26 12.87 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.718 -3.615  -26.319 0.30 10.56 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.509 0.879   -26.915 1.00 10.22 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.332 2.067   -27.221 1.00 11.38 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.779 1.834   -26.863 1.00 12.43 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.181 0.743   -26.426 1.00 12.20 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.554 2.925   -26.913 1.00 14.53 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.990 2.839   -26.513 1.00 14.84 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.835 2.470   -27.755 1.00 14.44 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -46.077 2.324   -27.617 1.00 15.97 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.464 4.118   -25.770 1.00 18.86 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.984 4.283   -24.310 1.00 24.95 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.805 3.257   -23.604 1.00 26.20 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.872 5.442   -23.820 1.00 27.34 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.226 2.280   -28.903 1.00 11.67 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.940 1.965   -30.182 1.00 12.65 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.986 1.283   -31.173 1.00 11.21 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.684 1.261   -30.977 1.00 10.59 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.550 3.272   -30.712 1.00 14.72 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.396 2.962   -31.797 1.00 16.55 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.469 4.193   -31.221 1.00 16.84 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.470 0.809   -32.317 1.00 11.93 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.616 0.338   -33.431 1.00 10.75 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.653 1.430   -33.876 1.00 11.94 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.102 2.594   -34.028 1.00 13.19 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.553 -0.179  -34.534 1.00 10.46 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.920 -0.812  -35.714 1.00 9.57  ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.157 -0.132  -36.651 1.00 9.97  ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -44.026 -2.080  -36.170 1.00 10.25 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.795 -0.956  -37.596 1.00 10.46 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.316 -2.195  -37.322 1.00 10.05 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.376 1.103   -34.135 1.00 11.15 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.352 2.125   -34.399 1.00 11.10 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.189 2.399   -35.893 1.00 12.27 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.162 3.008   -36.281 1.00 12.89 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -39.043 1.730   -33.712 1.00 11.18 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.197 1.787   -32.224 1.00 11.25 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.672 3.112   -31.688 1.00 11.06 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.633 3.241   -30.925 1.00 15.15 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -39.022 4.179   -32.105 1.00 10.57 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.157 2.020   -36.721 1.00 11.49 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.219 2.464   -38.152 1.00 11.13 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.111 1.861   -39.011 1.00 11.98 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.649 2.458   -40.004 1.00 13.66 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.305 4.005   -38.269 1.00 11.61 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.933 4.426   -39.600 1.00 11.40 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.764 3.722   -40.162 1.00 10.09 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.480 5.551   -40.177 1.00 11.89 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.721 0.619   -38.701 1.00 13.61 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.753 -0.192  -39.487 1.00 14.13 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.506 -1.223  -40.335 1.00 13.38 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.567 -1.631  -39.940 1.00 13.17 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.735 -0.899  -38.574 1.00 14.00 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.832 0.104   -37.893 1.00 16.61 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.363 -1.790  -37.515 1.00 15.50 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.920 -1.655  -41.446 1.00 15.26 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.440 -2.772  -42.257 1.00 16.41 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.275 -4.094  -41.513 1.00 15.43 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.353 -4.239  -40.704 1.00 15.07 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.790 -2.816  -43.637 1.00 17.97 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.375 -2.980  -43.531 1.00 20.09 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.097 -5.072  -41.819 1.00 15.20 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.939 -6.429  -41.262 1.00 15.34 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.831 -7.145  -42.032 1.00 16.51 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.532 -6.784  -43.198 1.00 16.29 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.255 -7.179  -41.280 1.00 15.67 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.197 -8.437  -40.448 1.00 18.76 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.561 -8.403  -39.332 1.00 15.29 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -41.638 -9.466  -40.982 1.00 20.03 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.193 -8.123  -41.383 1.00 14.78 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.188 -8.999  -42.030 1.00 15.16 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.148 -10.312 -41.246 1.00 15.41 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.746 -10.416 -40.131 1.00 16.02 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.844 -8.334  -42.194 1.00 15.25 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.131 -8.158  -40.872 1.00 15.34 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -34.978 -9.130  -40.131 1.00 16.89 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.752 -6.970  -40.538 1.00 15.33 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.523 -11.309 -41.836 1.00 16.35 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.566 -12.673 -41.266 1.00 17.72 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.662 -12.775 -40.009 1.00 14.71 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.898 -13.769 -39.257 1.00 16.58 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.074 -13.696 -42.305 1.00 20.78 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.639 -13.490 -42.742 1.00 26.04 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.209 -14.352 -43.914 1.00 34.14 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.700 -14.447 -43.982 1.00 40.34 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.285 -15.596 -44.820 1.00 47.01 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.765 -11.813 -39.775 1.00 14.78 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.837 -11.813 -38.603 1.00 14.64 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.584 -11.327 -37.332 1.00 14.51 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.171 -11.688 -36.209 1.00 14.48 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.620 -10.938 -38.874 1.00 18.43 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.724 -11.402 -40.031 1.00 22.55 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.588 -10.411 -40.236 1.00 28.80 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.578 -9.700  -41.283 1.00 33.57 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.736 -10.270 -39.332 1.00 30.11 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.625 -10.500 -37.443 1.00 12.98 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.174 -9.785  -36.259 1.00 11.92 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.893 -10.749 -35.324 1.00 11.20 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.723 -11.582 -35.741 1.00 12.15 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.181 -8.703  -36.670 1.00 10.77 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.574 -7.561  -37.446 1.00 11.71 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.564 -6.367  -37.462 1.00 11.35 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.067 -5.298  -38.319 1.00 12.24 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.960 -4.600  -38.113 1.00 11.98 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.301 -4.648  -36.946 1.00 10.90 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.524 -3.752  -39.047 1.00 13.59 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.611 -10.668 -34.021 1.00 10.12 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.437 -11.394 -33.036 1.00 9.57  ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.851 -10.802 -33.036 1.00 10.98 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.993 -9.603  -32.779 1.00 11.48 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.828 -11.334 -31.642 1.00 9.33  ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.594 -12.196 -31.496 1.00 9.17  ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.710 -13.557 -31.238 1.00 8.91  ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.338 -11.624 -31.547 1.00 10.38 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.577 -14.353 -31.101 1.00 9.84  ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.209 -12.420 -31.401 1.00 10.19 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.344 -13.780 -31.201 1.00 9.27  ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.859 -11.602 -33.339 1.00 11.79 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.233 -11.073 -33.541 1.00 12.46 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.018 -10.974 -32.242 1.00 12.13 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.818 -10.005 -32.120 1.00 14.28 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.939 -11.924 -34.556 1.00 12.44 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.126 -13.250 -34.102 1.00 12.18 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.870 -11.882 -31.290 1.00 11.16 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.820 -12.048 -30.161 1.00 11.31 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.332 -11.374 -28.871 1.00 9.83  ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.105 -11.271 -27.911 1.00 11.29 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.145 -13.505 -29.879 1.00 12.64 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.071 -14.123 -30.925 1.00 15.24 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.849 -13.970 -32.118 1.00 16.31 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -45.038 -14.871 -30.449 1.00 20.25 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.044 -11.022 -28.800 1.00 9.48  ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.419 -10.536 -27.551 1.00 9.31  ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.465 -9.396  -27.882 1.00 9.73  ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.944 -9.309  -28.996 1.00 9.44  ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.624 -11.669 -26.876 1.00 9.32  ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.326 -12.996 -26.787 1.00 10.34 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.295 -13.208 -25.834 1.00 11.21 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -40.032 -14.045 -27.637 1.00 11.44 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.985 -14.418 -25.735 1.00 13.68 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.731 -15.237 -27.584 1.00 11.74 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.681 -15.441 -26.599 1.00 13.02 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.347 -16.656 -26.548 1.00 12.92 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.159 -8.530  -26.885 1.00 8.85  ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.315 -7.357  -27.105 1.00 8.77  ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.808 -7.683  -27.042 1.00 7.96  ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -36.054 -7.167  -26.210 1.00 8.82  ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.713 -6.378  -25.949 1.00 10.24 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.893 -7.017  -25.302 1.00 11.31 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.838 -8.472  -25.590 1.00 9.99  ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.419 -8.577  -27.977 1.00 8.30  ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.075 -9.175  -28.054 1.00 7.43  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.261 -8.586  -29.199 1.00 7.91  ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.777 -8.084  -30.230 1.00 7.98  ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.183 -10.689 -28.222 1.00 8.03  ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.745 -11.386 -27.026 1.00 8.39  ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.231 -13.083 -27.432 1.00 9.42  ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.870 -13.707 -25.895 1.00 10.22 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.935 -8.658  -29.018 1.00 8.41  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.943 -8.212  -30.037 1.00 8.20  ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.637 -8.979  -29.808 1.00 8.64  ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.372 -9.381  -28.657 1.00 8.24  ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.765 -6.681  -30.004 1.00 8.37  ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.220 -6.193  -28.679 1.00 8.30  ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.882 -6.150  -31.132 1.00 8.77  ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.883 -9.158  -30.870 1.00 8.65  ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.546 -9.804  -30.783 1.00 8.36  ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.432 -8.796  -30.885 1.00 8.86  ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.540 -7.728  -31.596 1.00 9.90  ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.359 -10.850 -31.883 1.00 8.83  ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.428 -11.917 -31.922 1.00 9.16  ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.152 -13.036 -32.934 1.00 11.46 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.630 -12.574 -30.569 1.00 8.94  ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.273 -9.127  -30.323 1.00 8.79  ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -25.029 -8.423  -30.677 1.00 9.14  ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.594 -8.751  -32.105 1.00 8.98  ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.923 -9.837  -32.607 1.00 10.12 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.823 -7.870  -32.706 1.00 11.10 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.342 -8.078  -34.092 1.00 12.68 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.216 -9.122  -34.114 1.00 13.76 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.043 -9.809  -35.154 1.00 16.90 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.888 -6.749  -34.605 1.00 14.31 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.470 -9.214  -33.023 1.00 13.23 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.263 -10.079 -33.000 1.00 13.66 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.705 -11.547 -33.023 1.00 14.18 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.722 -11.923 -32.381 1.00 13.78 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.406 -9.706  -31.782 1.00 14.40 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.750 -8.345  -31.846 1.00 15.91 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.725 -7.188  -31.723 1.00 15.52 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.706 -7.272  -30.980 1.00 14.95 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.500 -6.098  -32.437 1.00 17.48 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.965 -12.387 -33.744 1.00 14.59 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.100 -13.862 -33.736 1.00 13.65 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.816 -14.490 -33.185 1.00 12.56 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.711 -14.044 -33.548 1.00 14.37 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.312 -14.439 -35.152 1.00 18.59 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.701 -14.262 -35.765 1.00 26.25 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.222 -12.846 -35.664 1.00 28.33 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.091 -12.123 -36.613 1.00 32.42 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.764 -12.593 -37.661 1.00 32.54 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.498 -11.743 -38.368 1.00 36.06 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.711 -13.856 -38.030 1.00 31.82 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.989 -15.438 -32.296 1.00 12.19 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.850 -16.116 -31.620 1.00 12.31 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.899 -17.608 -31.940 1.00 10.89 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.909 -18.258 -31.709 1.00 10.18 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.960 -15.871 -30.099 1.00 14.53 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.970 -14.395 -29.742 1.00 15.57 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.964 -13.565 -30.207 1.00 18.24 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.942 -13.846 -28.943 1.00 23.81 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.917 -12.210 -29.914 1.00 21.57 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.890 -12.485 -28.637 1.00 17.42 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.922 -11.678 -29.165 1.00 19.63 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.786 -18.180 -32.424 0.25 11.46 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.783 -18.170 -32.431 0.25 11.34 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.691 -19.632 -32.728 0.25 11.92 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.645 -19.619 -32.737 0.25 11.72 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.472 -20.270 -32.042 0.25 11.64 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.387 -20.200 -32.094 0.25 11.84 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.313 -21.501 -32.154 0.25 11.57 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.957 -21.274 -32.511 0.25 11.37 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.720 -19.876 -34.229 0.25 12.29 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.604 -19.859 -34.214 0.25 11.68 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.065 -19.772 -34.728 0.25 13.06 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.539 -19.138 -34.781 0.25 11.93 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.693 -19.478 -31.300 0.25 11.49 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.794 -19.501 -31.139 0.25 12.51 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.502 -19.934 -30.542 0.25 12.16 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.540 -19.942 -30.501 0.25 13.65 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.202 -18.959 -29.405 0.25 12.84 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.119 -18.915 -29.460 0.25 13.59 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.800 -17.874 -29.399 0.25 13.09 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.529 -17.746 -29.599 0.25 12.89 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.314 -20.051 -31.469 0.25 12.19 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.478 -20.122 -31.556 0.25 14.94 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.897 -18.774 -31.915 0.25 11.70 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.242 -20.454 -30.953 0.25 17.39 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.288 -19.332 -28.505 1.00 13.73 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.686 -18.372 -27.571 1.00 14.51 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.531 -18.076 -26.343 1.00 12.25 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.525 -18.733 -26.105 1.00 12.65 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -12.031 -17.109 -25.606 1.00 12.22 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.605 -16.615 -24.356 1.00 12.61 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -13.017 -15.169 -24.618 1.00 11.93 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.201 -14.350 -25.092 1.00 13.80 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.572 -16.766 -23.242 1.00 14.46 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.184 -18.200 -22.896 1.00 14.52 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -10.043 -18.262 -21.835 1.00 17.23 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.628  -19.674 -21.505 1.00 20.41 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.587  -19.641 -20.440 1.00 22.76 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.222 -14.821 -24.173 1.00 12.01 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.838 -13.498 -24.375 1.00 11.44 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.514 -13.056 -23.082 1.00 10.84 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.099 -13.890 -22.401 1.00 10.82 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.957 -13.596 -25.411 1.00 11.79 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.515 -13.772 -26.847 1.00 12.18 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.758 -15.337 -27.370 1.00 14.34 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.994 -16.557 -27.017 1.00 13.30 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.487 -11.789 -22.778 1.00 11.15 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.097 -11.202 -21.562 1.00 10.87 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.691 -9.863  -21.952 1.00 11.04 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -16.061 -9.049  -22.676 1.00 11.45 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -15.038 -11.033 -20.463 1.00 11.47 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.533 -10.411 -19.185 1.00 11.32 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.293 -11.169 -18.319 1.00 11.21 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.343 -9.062  -18.902 1.00 12.19 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.818 -10.626 -17.152 1.00 12.33 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.866 -8.503  -17.742 1.00 10.87 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.597 -9.275  -16.871 1.00 11.41 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.120 -8.695  -15.751 1.00 13.69 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.894 -9.613  -21.475 1.00 9.45  ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.474 -8.256  -21.542 1.00 9.77  ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.375 -8.000  -20.327 1.00 10.02 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.749 -8.940  -19.599 1.00 10.54 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.229 -8.028  -22.868 1.00 10.00 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.391 -8.918  -23.142 1.00 9.53  ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.725 -8.627  -22.943 1.00 9.28  ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.389 -10.243 -23.688 1.00 9.84  ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.523 -9.668  -23.337 1.00 9.21  ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.726 -10.679 -23.794 1.00 9.76  ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.373 -11.128 -24.072 1.00 11.11 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.091 -11.917 -24.286 1.00 10.43 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.724 -12.356 -24.568 1.00 13.37 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -21.051 -12.743 -24.685 1.00 11.51 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.793 -6.738  -20.157 1.00 9.61  ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.634 -6.298  -19.012 1.00 9.33  ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.848 -5.519  -19.505 1.00 9.34  ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.755 -4.794  -20.490 1.00 9.80  ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.827 -5.420  -18.055 1.00 10.74 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.741 -6.243  -17.361 1.00 13.08 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.923 -5.509  -16.321 1.00 16.28 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.139 -4.264  -16.178 1.00 21.21 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -17.067 -6.178  -15.635 1.00 16.06 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.944 -5.719  -18.800 1.00 9.54  ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.220 -5.072  -19.140 1.00 9.35  ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.786 -4.395  -17.890 1.00 8.99  ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.900 -5.040  -16.842 1.00 9.94  ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.231 -6.090  -19.686 1.00 9.77  ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.487 -5.383  -20.165 1.00 11.04 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.610 -6.997  -20.735 1.00 10.04 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.220 -3.139  -18.075 1.00 9.60  ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.902 -2.345  -17.023 1.00 10.73 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.391 -2.630  -17.067 1.00 9.34  ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -28.024 -2.536  -18.174 1.00 9.83  ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.654 -0.849  -17.207 1.00 11.73 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -26.058 -0.052  -15.972 1.00 13.49 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.209 -0.045  -15.635 1.00 13.74 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.149 0.411   -15.247 1.00 18.12 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.964 -3.065  -15.943 1.00 9.77  ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.407 -3.419  -15.777 1.00 9.98  ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.087 -2.519  -14.726 1.00 10.97 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.165 -2.830  -14.257 1.00 11.08 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.558 -4.924  -15.423 1.00 9.93  ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.973 -5.845  -16.523 1.00 8.73  ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.924 -5.284  -14.078 1.00 10.23 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.447 -1.411  -14.361 1.00 11.30 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.964 -0.443  -13.373 1.00 13.55 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.456 -0.144  -13.629 1.00 12.69 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.874 0.185   -14.752 1.00 12.87 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.141 0.843   -13.382 1.00 14.01 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.775 0.553   -13.055 1.00 16.54 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.752 1.781   -12.362 1.00 17.38 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.215 -0.199  -12.534 1.00 15.34 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.647 0.152   -12.371 1.00 18.47 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.575 -0.707  -13.224 1.00 17.40 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.773 -0.410  -13.252 1.00 20.69 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.903 1.654   -12.542 1.00 27.10 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.562 2.250   -13.898 1.00 32.65 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.262 3.550   -14.256 1.00 36.72 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -33.641 4.475   -14.786 1.00 43.08 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.581 3.575   -14.134 1.00 44.45 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.147 -1.800  -13.819 1.00 11.93 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -35.098 -2.645  -14.550 1.00 10.46 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.814 -3.642  -13.635 1.00 9.76  ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.180 -4.178  -12.677 1.00 12.58 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.353 -3.348  -15.690 1.00 10.88 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.931 -2.375  -16.820 1.00 11.75 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.454 -2.996  -18.112 1.00 12.65 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.539 -3.746  -18.850 1.00 11.04 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.711 -2.875  -19.172 1.00 9.76  ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -37.031 -3.985  -13.998 1.00 8.39  ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.837 -4.982  -13.294 1.00 8.79  ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.743 -6.360  -13.960 1.00 9.00  ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.107 -7.388  -13.350 1.00 9.73  ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.334 -4.568  -13.265 1.00 9.51  ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.584 -3.310  -12.465 1.00 10.28 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -41.048 -2.854  -12.541 1.00 9.95  ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.414 -1.995  -11.721 1.00 12.19 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.798 -3.423  -13.384 1.00 11.60 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.399 -6.419  -15.255 1.00 8.67  ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.425 -7.679  -16.004 1.00 8.37  ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.470 -7.575  -17.184 1.00 9.52  ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.407 -6.513  -17.829 1.00 8.78  ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.796 -7.979  -16.520 1.00 9.39  ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.718 -8.637  -17.445 1.00 8.42  ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.710 -8.701  -18.543 1.00 8.35  ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.217 -10.122 -18.647 1.00 8.80  ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.316 -10.873 -17.677 1.00 8.37  ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.550 -7.712  -18.365 1.00 8.71  ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.867 -7.744  -17.043 1.00 8.21  ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -33.098 -6.887  -16.014 1.00 9.45  ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.931 -8.719  -16.501 1.00 8.47  ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.324 -7.175  -14.937 1.00 9.35  ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.604 -8.321  -15.196 1.00 9.35  ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.311 -9.861  -17.031 1.00 9.36  ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.678 -8.991  -14.408 1.00 8.89  ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.407 -10.549 -16.247 1.00 9.87  ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -30.100 -10.121 -14.952 1.00 9.94  ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.689 -10.465 -19.815 1.00 8.01  ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.936 -11.737 -20.038 1.00 8.54  ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.577 -11.339 -20.620 1.00 8.45  ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.535 -10.433 -21.480 1.00 8.06  ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.616 -12.688 -21.021 1.00 9.46  ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -35.101 -12.909 -20.839 1.00 11.34 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.534 -12.890 -19.716 1.00 14.29 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.806 -13.081 -21.875 1.00 13.19 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.507 -12.031 -20.242 1.00 7.54  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.155 -11.781 -20.775 1.00 7.91  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.423 -13.103 -20.956 1.00 7.25  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.552 -14.015 -20.142 1.00 7.45  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.335 -10.918 -19.825 1.00 7.97  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.688 -9.448  -19.715 1.00 9.23  ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.869 -8.843  -18.572 1.00 10.49 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.418 -8.757  -21.023 1.00 8.69  ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.572 -13.132 -21.978 1.00 6.19  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.616 -14.225 -22.111 1.00 7.48  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -26.055 -14.283 -23.512 1.00 7.25  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.670 -13.284 -24.077 1.00 7.65  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.976 -15.509 -24.028 0.25 7.78  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -26.040 -15.484 -24.068 0.25 7.95  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.553 -15.814 -25.423 0.25 7.80  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.461 -15.769 -25.406 0.25 8.08  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.531 -16.794 -26.053 0.25 7.97  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.356 -16.843 -26.040 0.25 8.18  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.231 -17.540 -25.351 0.25 8.03  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.929 -17.633 -25.288 0.25 8.11  ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.139 -16.405 -25.519 0.25 8.18  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.978 -16.172 -25.260 0.25 8.75  ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.109 -15.350 -25.194 0.25 7.97  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.827 -17.570 -24.677 0.25 8.99  ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.965 -17.637 -24.641 0.25 8.35  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.204 -16.046 -26.562 0.25 8.84  ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.485 -16.878 -27.372 1.00 7.88  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.323 -17.848 -28.064 1.00 8.96  ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.647 -18.254 -29.370 1.00 8.58  ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.752 -17.519 -29.883 1.00 8.44  ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.726 -17.301 -28.330 1.00 9.27  ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.808 -15.897 -29.470 1.00 10.04 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.073 -19.378 -29.915 0.25 8.98  ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.057 -19.395 -29.911 0.25 8.81  ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.642 -19.770 -31.277 0.25 9.25  ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.617 -19.855 -31.259 0.25 8.96  ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.082 -18.714 -32.291 0.25 9.24  ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.130 -18.870 -32.331 0.25 9.23  ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.128 -18.075 -32.147 0.25 8.57  ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.307 -18.433 -32.242 0.25 9.02  ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.274 -21.095 -31.685 0.25 10.23 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.155 -21.269 -31.514 0.25 9.65  ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.884 -22.208 -30.735 0.25 10.78 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.469 -22.015 -32.650 0.25 9.69  ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.317 -23.556 -31.237 0.25 11.77 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.979 -23.424 -32.866 0.25 9.66  ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -26.981 -24.628 -30.312 0.25 11.30 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.839 -24.250 -31.683 0.25 10.02 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.825 -25.581 -29.953 0.25 11.55 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.852 -24.821 -31.035 0.25 9.41  ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.049 -25.593 -30.450 0.25 11.46 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.070 -24.744 -31.519 0.25 10.05 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.427 -26.531 -29.124 0.25 12.47 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.636 -25.512 -29.932 0.25 9.35  ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.305 -18.565 -33.345 1.00 9.92  ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.711 -17.652 -34.429 1.00 11.04 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -28.017 -18.164 -35.019 1.00 11.88 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.766 -17.327 -35.565 1.00 14.60 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.588 -17.599 -35.467 1.00 13.23 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.208 -18.902 -36.135 1.00 15.70 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.676 -20.020 -35.712 1.00 18.78 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.407 -18.798 -37.118 1.00 20.17 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.281 -19.468 -35.012 1.00 11.80 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.420 -20.075 -35.729 1.00 12.95 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.667 -20.242 -34.844 1.00 11.83 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.580 -20.922 -35.248 1.00 12.03 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -28.988 -21.380 -36.330 1.00 16.32 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.545 -22.246 -35.352 1.00 16.53 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.757 -19.563 -33.707 1.00 10.45 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.998 -19.626 -32.910 1.00 11.16 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.198 -19.132 -33.727 1.00 10.90 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.090 -18.214 -34.553 1.00 12.09 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.923 -18.897 -31.552 1.00 10.57 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.943 -19.575 -30.626 1.00 10.29 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.670 -17.437 -31.673 1.00 10.10 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.322 -19.753 -33.417 1.00 11.36 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.678 -19.349 -33.929 1.00 13.25 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.893 -17.865 -33.629 1.00 12.66 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.661 -17.433 -32.479 1.00 13.02 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.704 -20.253 -33.249 1.00 16.44 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.185 -19.921 -33.478 1.00 19.22 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.090 -20.767 -32.585 1.00 22.91 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.689 -21.781 -31.950 1.00 24.09 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.367 -20.372 -32.501 1.00 24.51 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.443 -17.121 -34.585 1.00 11.53 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.727 -15.662 -34.421 1.00 10.96 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.239 -15.449 -34.276 1.00 12.09 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.605 -14.439 -33.687 1.00 11.39 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.171 -14.821 -35.559 1.00 11.74 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.716 -15.081 -35.891 1.00 11.63 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.785 -14.816 -34.688 1.00 12.67 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.413 -15.267 -34.976 1.00 13.26 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.496 -14.553 -35.601 1.00 12.76 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.750 -13.310 -35.955 1.00 15.40 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.318 -15.067 -35.891 1.00 16.07 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.080 -16.283 -34.892 1.00 12.10 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.536 -15.999 -35.053 1.00 12.36 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.337 -16.900 -34.134 1.00 13.79 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.967 -18.110 -33.996 1.00 14.60 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.936 -16.180 -36.525 1.00 12.76 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.085 -15.456 -37.550 1.00 14.19 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.002 -13.921 -37.354 1.00 15.63 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.172 -13.251 -38.404 1.00 15.84 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.106 -11.782 -38.198 1.00 15.80 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.417 -16.394 -33.568 1.00 14.33 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.333 -17.167 -32.728 1.00 14.05 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.845 -17.333 -31.310 1.00 15.87 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.881 -16.609 -30.918 1.00 14.94 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.493 -18.214 -30.566 1.00 16.02 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.241 -18.452 -29.141 1.00 17.04 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.173 -19.528 -28.978 1.00 16.65 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.088 -20.469 -29.809 1.00 16.07 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.539 -18.862 -28.441 1.00 20.89 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.565 -17.753 -28.532 1.00 25.28 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.909 -18.293 -28.162 1.00 33.96 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.166 -18.557 -26.986 1.00 43.75 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.733 -18.517 -29.180 1.00 36.86 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.295 -19.324 -28.004 1.00 14.07 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.292 -20.323 -27.598 1.00 13.67 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.807 -20.042 -26.178 1.00 13.70 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.944 -18.916 -25.650 1.00 14.26 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.096 -20.296 -28.550 1.00 13.16 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.469 -18.938 -28.714 1.00 12.72 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.506 -18.526 -27.814 1.00 13.09 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.820 -18.067 -29.738 1.00 12.84 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.866 -17.318 -27.948 1.00 12.29 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.202 -16.834 -29.854 1.00 12.45 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.214 -16.465 -28.972 1.00 11.60 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.258 -21.070 -25.532 0.25 14.33 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.230 -21.078 -25.567 0.25 13.40 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.610 -20.960 -24.202 0.25 14.75 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.589 -21.041 -24.230 0.25 13.21 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.108 -20.749 -24.380 0.25 13.53 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.090 -20.776 -24.379 0.25 12.67 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.534 -21.246 -25.382 0.25 13.22 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.492 -21.254 -25.377 0.25 12.34 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.862 -22.172 -23.366 0.25 16.59 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.836 -22.329 -23.492 0.25 13.72 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.652 -23.336 -24.137 0.25 19.19 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.226 -22.473 -23.223 0.25 13.85 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.506 -20.039 -23.428 1.00 12.40 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -35.044 -19.872 -23.367 1.00 12.44 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.473 -21.092 -22.667 1.00 12.85 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.620 -21.260 -21.471 1.00 14.10 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.681 -18.588 -22.626 1.00 12.70 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.201 -17.294 -23.235 1.00 14.02 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.842 -16.148 -22.297 1.00 15.09 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.650 -17.035 -24.637 1.00 14.98 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.759 -21.957 -23.400 1.00 11.23 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.170 -23.193 -22.851 1.00 11.43 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.981 -23.547 -23.717 1.00 10.52 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.976 -23.212 -24.902 1.00 10.27 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.111 -24.359 -22.859 1.00 12.29 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.522 -24.688 -24.188 1.00 15.40 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -31.040 -24.317 -23.181 1.00 10.01 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.940 -24.812 -24.012 1.00 10.65 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.433 -25.699 -25.165 1.00 11.10 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.836 -25.587 -26.273 1.00 11.06 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -29.052 -25.583 -23.009 1.00 11.21 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.342 -24.876 -21.673 1.00 11.31 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.823 -24.569 -21.750 1.00 11.10 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.512 -26.458 -24.966 1.00 11.64 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.082 -27.287 -26.074 1.00 14.30 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.460 -26.382 -27.252 1.00 13.75 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.398 -26.791 -28.443 1.00 15.41 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.284 -28.080 -25.566 1.00 18.94 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.934 -28.957 -24.385 1.00 27.40 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.298 -28.388 -23.018 1.00 34.25 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.512 -27.553 -22.437 1.00 23.20 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.382 -28.818 -22.516 1.00 43.16 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.957 -25.166 -26.990 1.00 11.61 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.355 -24.216 -28.054 1.00 11.39 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.192 -23.298 -28.458 1.00 10.91 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.397 -22.429 -29.297 1.00 12.10 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.563 -23.384 -27.594 1.00 12.16 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.851 -24.150 -27.617 1.00 13.77 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.968 -25.232 -28.231 1.00 15.48 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.816 -23.669 -26.854 1.00 14.42 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.974 -23.463 -27.916 1.00 9.48  ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.807 -22.678 -28.337 1.00 8.67  ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.557 -21.430 -27.529 1.00 8.20  ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.894 -20.551 -28.010 1.00 8.40  ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -30.025 -21.384 -26.272 1.00 8.54  ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.824 -20.192 -25.404 1.00 7.79  ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.126 -20.563 -24.096 1.00 7.35  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.571 -21.546 -23.462 1.00 8.92  ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.157 -19.527 -25.053 1.00 8.62  ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.949 -19.010 -26.237 1.00 8.09  ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.859 -19.820 -26.881 1.00 8.45  ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.809 -17.709 -26.679 1.00 8.15  ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.585 -19.366 -27.969 1.00 9.29  ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.543 -17.246 -27.754 1.00 9.14  ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.437 -18.069 -28.374 1.00 8.75  ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.204 -19.718 -23.667 1.00 7.34  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.516 -19.827 -22.345 1.00 7.32  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.686 -18.495 -21.623 1.00 6.61  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.951 -17.538 -21.967 1.00 7.67  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -26.044 -20.291 -22.488 1.00 7.66  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.956 -21.662 -23.106 1.00 8.17  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.889 -22.873 -22.473 1.00 8.69  ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.956 -21.962 -24.526 1.00 8.01  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.895 -23.899 -23.409 1.00 8.73  ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.962 -23.361 -24.663 1.00 8.90  ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -26.010 -21.161 -25.659 1.00 8.94  ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.990 -23.982 -25.928 1.00 9.56  ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.038 -21.792 -26.882 1.00 9.75  ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.069 -23.163 -27.016 1.00 9.36  ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.713 -18.401 -20.759 1.00 7.70  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.201 -17.088 -20.280 1.00 7.06  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.566 -17.165 -18.791 1.00 6.99  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.811 -18.248 -18.262 1.00 7.19  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.458 -16.626 -21.030 1.00 8.04  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.508 -17.561 -20.828 1.00 8.35  ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.167 -16.459 -22.508 1.00 8.55  ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.582 -15.970 -18.195 1.00 7.69  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.244 -15.760 -16.867 1.00 7.48  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.241 -14.611 -17.045 1.00 7.85  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.171 -13.856 -18.049 1.00 7.90  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.230 -15.464 -15.751 1.00 8.03  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.554 -14.104 -15.920 1.00 8.91  ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.189 -16.563 -15.663 1.00 8.14  ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.714 -13.636 -14.751 1.00 8.84  ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.100 -14.479 -16.053 1.00 8.11  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.112 -13.413 -16.092 1.00 8.82  ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.545 -12.957 -14.720 1.00 9.04  ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.347 -13.639 -13.722 1.00 8.82  ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.290 -13.828 -16.911 1.00 11.16 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -35.102 -14.940 -16.378 1.00 12.87 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.941 -14.941 -15.301 1.00 13.48 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.201 -16.203 -17.007 1.00 14.77 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.604 -16.125 -15.255 1.00 15.28 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.168 -16.922 -16.279 1.00 14.71 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.626 -16.739 -18.157 1.00 15.87 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.521 -18.215 -16.647 1.00 16.92 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.994 -18.003 -18.522 1.00 17.38 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.931 -18.712 -17.791 1.00 16.26 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.122 -11.738 -14.719 1.00 9.20  ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.903 -11.194 -13.604 1.00 9.27  ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.359 -11.163 -14.018 1.00 8.71  ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.665 -10.685 -15.112 1.00 9.33  ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.410 -9.793  -13.287 1.00 9.65  ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.261 -9.004  -12.286 1.00 9.70  ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.283 -9.651  -10.916 1.00 11.04 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.809 -7.567  -12.216 1.00 11.15 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.224 -11.608 -13.111 1.00 9.75  ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.674 -11.596 -13.338 1.00 10.60 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.386 -11.625 -11.993 1.00 12.16 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.098 -12.535 -11.192 1.00 11.75 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -39.051 -12.806 -14.173 1.00 12.99 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.496 -13.027 -14.302 1.00 15.13 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.268 -14.024 -13.763 1.00 17.32 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.362 -12.200 -15.079 1.00 15.92 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.548 -13.877 -14.185 1.00 16.83 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.644 -12.774 -14.989 1.00 16.10 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.176 -11.086 -15.895 1.00 16.00 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.741 -12.241 -15.651 1.00 19.08 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.276 -10.517 -16.501 1.00 18.52 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.543 -11.088 -16.381 1.00 19.22 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.276 -10.656 -11.730 1.00 11.27 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.080 -10.664 -10.486 1.00 12.16 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.180 -10.836 -9.288  1.00 13.02 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.549 -11.671 -8.382  1.00 14.90 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.193 -11.696 -10.614 1.00 13.03 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.104 -11.410 -11.790 1.00 14.05 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.376 -12.217 -11.818 1.00 16.28 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.355 -11.884 -12.515 1.00 20.53 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.393 -13.261 -11.014 1.00 15.24 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.146 -10.039 -9.192  1.00 14.11 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.306 -9.900  -7.989  1.00 18.61 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.522 -11.190 -7.688  1.00 18.43 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.855 -11.195 -6.597  1.00 23.80 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.226 -9.576  -6.797  1.00 22.43 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.578 -8.817  -5.674  1.00 30.58 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.606 -8.087  -5.918  1.00 33.73 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.109 -8.930  -4.542  1.00 46.65 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.448 -12.147 -8.633  1.00 14.47 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.513 -13.308 -8.518  1.00 15.81 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.605 -13.429 -9.748  1.00 14.05 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -36.004 -13.084 -10.891 1.00 12.41 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.272 -14.544 -8.152  1.00 19.33 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -38.050 -15.044 -9.192  1.00 28.19 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.435 -13.994 -9.523  1.00 11.52 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.451 -14.262 -10.591 1.00 10.93 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.412 -15.754 -10.837 1.00 10.13 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.423 -16.551 -9.882  1.00 10.38 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -32.085 -13.749 -10.177 1.00 10.14 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -32.010 -12.253 -9.920  1.00 11.08 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.262 -11.694 -8.677  1.00 10.77 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.650 -11.387 -10.931 1.00 9.81  ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.162 -10.318 -8.443  1.00 11.43 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.559 -10.017 -10.720 1.00 10.64 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.808 -9.482  -9.475  1.00 11.44 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.795 -8.124  -9.240  1.00 11.89 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.382 -16.157 -12.108 0.25 9.97  ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.422 -16.149 -12.114 0.25 9.94  ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.366 -17.597 -12.494 0.25 10.30 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.415 -17.575 -12.557 0.25 10.24 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.452 -17.823 -13.701 0.25 9.58  ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.357 -17.777 -13.650 0.25 9.48  ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.373 -16.959 -14.568 0.25 9.28  ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -32.031 -16.821 -14.362 0.25 9.01  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.774 -18.099 -12.794 0.25 11.47 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.789 -18.004 -13.074 0.25 11.40 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.733 -17.949 -11.618 0.25 12.82 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.909 -17.911 -12.039 0.25 13.01 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.154 -18.354 -11.949 0.25 14.29 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -36.037 -19.111 -11.108 0.25 14.24 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.610 -18.002 -13.055 0.25 16.45 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.640 -20.227 -11.502 0.25 16.83 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.801 -19.022 -11.103 0.25 14.49 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.572 -18.936 -10.009 0.25 18.53 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.818 -18.999 -13.749 1.00 9.41  ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -31.058 -19.438 -14.927 1.00 9.13  ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -32.005 -20.148 -15.893 1.00 9.49  ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.869 -20.959 -15.452 1.00 9.34  ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.893 -20.332 -14.530 1.00 9.46  ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.828 -19.888 -17.191 1.00 8.95  ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.635 -20.482 -18.265 1.00 10.05 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.265 -21.911 -18.582 1.00 11.29 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.975 -22.224 -19.708 1.00 11.93 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.224 -22.794 -17.594 1.00 12.29 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.239 -24.253 -17.797 1.00 13.05 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.670 -24.737 -18.058 1.00 13.55 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.617 -23.970 -17.864 1.00 16.19 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.594 -24.885 -16.577 1.00 11.73 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.297 -24.409 -15.418 1.00 11.57 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.142 -24.588 -16.441 1.00 12.40 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.851 -26.020 -18.393 1.00 17.21 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.193 -26.604 -18.548 1.00 21.50 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.346 -27.789 -17.592 1.00 21.53 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.692 -28.817 -17.767 1.00 22.58 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.448 -27.011 -19.998 1.00 27.09 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.819 -27.371 -20.140 1.00 28.38 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.108 -27.654 -16.489 1.00 19.91 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.792 -26.420 -16.107 1.00 18.93 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.838 -25.380 -15.489 1.00 16.27 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.691 -25.719 -15.203 1.00 15.11 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.808 -26.906 -15.081 1.00 21.40 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.087 -28.026 -14.387 1.00 21.74 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.275 -28.721 -15.472 1.00 20.60 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.311 -24.154 -15.288 1.00 15.53 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.473 -23.035 -14.799 1.00 15.06 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.929 -23.334 -13.388 1.00 12.83 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.568 -24.071 -12.621 1.00 13.26 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.181 -21.678 -14.883 1.00 19.50 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.276 -21.444 -13.858 1.00 26.00 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.652 -21.812 -14.363 1.00 34.56 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.842 -22.710 -15.192 1.00 38.59 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.645 -21.119 -13.828 1.00 42.19 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.789 -22.740 -13.096 1.00 10.70 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -33.040 -22.914 -11.839 1.00 10.26 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -33.030 -21.619 -11.030 1.00 9.96  ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.609 -20.572 -11.530 1.00 10.79 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.622 -23.398 -12.113 1.00 9.57  ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.705 -24.627 -12.834 1.00 10.27 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.840 -23.564 -10.836 1.00 10.64 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.478 -21.683 -9.776  1.00 10.31 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.408 -20.558 -8.830  1.00 10.94 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.973 -20.099 -8.602  1.00 9.96  ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -31.068 -20.953 -8.326  1.00 12.71 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -34.010 -21.011 -7.499  1.00 13.21 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.373 -21.282 -7.788  1.00 16.54 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.784 -20.009 -6.388  1.00 15.35 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.699 -18.809 -8.712  1.00 9.53  ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.405 -18.191 -8.403  1.00 9.48  ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.472 -17.606 -6.983  1.00 11.35 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.598 -17.316 -6.484  1.00 14.29 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -30.035 -17.089 -9.409  1.00 9.99  ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.956 -17.618 -10.836 1.00 9.31  ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.708 -16.498 -11.803 1.00 9.22  ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.842 -18.637 -11.012 1.00 10.57 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.330 -17.495 -6.347  1.00 11.38 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.203 -17.024 -4.937  1.00 11.66 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.374 -15.754 -4.952  1.00 12.66 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.107 -15.792 -4.999  1.00 16.75 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.555 -18.121 -4.081  1.00 11.87 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.322 -19.395 -4.060  1.00 12.87 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -29.006 -20.469 -4.870  1.00 14.67 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.399 -19.764 -3.359  1.00 14.77 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.866 -21.439 -4.624  1.00 15.10 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.733 -21.041 -3.702  1.00 14.86 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -29.033 -14.617 -4.976  1.00 15.05 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.360 -13.299 -5.103  1.00 17.58 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.777 -12.453 -3.873  1.00 16.83 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.958 -12.202 -3.687  1.00 22.96 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.736 -12.643 -6.450  1.00 19.51 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.246 -13.505 -7.636  1.00 17.78 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.213 -11.209 -6.458  1.00 23.16 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.494 -12.938 -9.032  1.00 18.67 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.816 -12.102 -3.049  1.00 20.94 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -28.053 -11.297 -1.816  1.00 21.73 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -28.032 -9.806  -2.168  1.00 21.08 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.829 -9.044  -1.552  1.00 21.41 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.967 -11.648 -0.796  1.00 24.32 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -27.033 -10.826 0.494   1.00 31.69 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.293 -11.045 1.308   1.00 35.17 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.921 -12.099 1.256   1.00 41.05 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.674 -10.038 2.086   1.00 36.94 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.226 -9.418  -3.154  1.00 17.63 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -27.040 -7.989  -3.581  1.00 16.31 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.580 -7.812  -4.996  1.00 16.79 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.920 -8.280  -5.924  1.00 15.21 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.566 -7.580  -3.544  1.00 18.61 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.319 -6.142  -4.045  1.00 17.88 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.986 -7.721  -2.142  1.00 20.87 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.808 -7.290  -5.189  1.00 15.42 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.367 -7.149  -6.537  1.00 15.68 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.364 -6.459  -7.436  1.00 14.74 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.851 -5.389  -7.147  1.00 14.95 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.628 -6.290  -6.291  1.00 18.08 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -31.050 -6.714  -4.885  1.00 18.69 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.775 -6.882  -4.133  1.00 17.48 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.967 -7.067  -8.569  1.00 13.36 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.960 -6.479  -9.428  1.00 13.03 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.444 -5.272  -10.236 1.00 11.61 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.569 -5.292  -10.722 1.00 13.40 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.525 -7.650  -10.333 1.00 13.21 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.636 -8.613  -10.270 1.00 15.17 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.351 -8.425  -8.956  1.00 13.98 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.568 -4.273  -10.338 1.00 12.52 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.755 -3.128  -11.271 1.00 14.10 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.988 -3.368  -12.572 1.00 12.38 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.326 -2.774  -13.595 1.00 11.56 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.357 -1.796  -10.656 1.00 17.50 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.432 -1.369  -9.246  1.00 24.53 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.917 -4.177  -12.549 0.25 12.81 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -25.024 -4.291  -12.525 0.25 13.20 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.197 -4.597  -13.785 0.25 12.52 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.161 -4.636  -13.677 0.25 13.40 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.831 -6.081  -13.670 0.25 11.84 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.912 -6.146  -13.628 0.25 12.37 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.436 -6.529  -12.567 0.25 10.80 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.756 -6.705  -12.511 0.25 11.17 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.918 -3.802  -14.084 0.25 13.94 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.866 -3.822  -13.650 0.25 15.82 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.127 -2.317  -14.312 0.25 14.98 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.092 -2.321  -13.669 0.25 17.54 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -23.035 -1.564  -13.011 0.25 16.22 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.895 -1.566  -14.188 0.25 18.72 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.272 -1.929  -12.115 0.25 16.61 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.863 -2.142  -14.530 0.25 24.07 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.823 -0.507  -12.903 0.25 16.45 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -22.038 -0.259  -14.258 0.25 20.61 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.984 -6.783  -14.799 1.00 10.90 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.793 -8.249  -14.954 1.00 10.63 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.565 -8.413  -15.855 1.00 10.55 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.482 -7.804  -16.941 1.00 10.72 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -25.031 -8.903  -15.569 1.00 10.85 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.332 -8.720  -14.765 1.00 13.36 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.723 -10.379 -15.903 1.00 10.81 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.344 -9.457  -13.523 1.00 13.06 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.639 -9.290  -15.461 1.00 10.42 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.544 -9.726  -16.349 1.00 9.52  ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.828 -11.098 -16.925 1.00 9.61  ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.350 -11.959 -16.231 1.00 9.22  ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.557 -11.261 -18.212 1.00 9.67  ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.824 -12.519 -18.973 1.00 8.98  ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.503 -13.009 -19.573 1.00 9.71  ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.812 -12.245 -20.246 1.00 9.63  ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.874 -12.289 -20.079 1.00 10.65 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.168 -11.774 -19.456 1.00 12.19 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.089 -13.561 -20.900 1.00 11.19 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.205 -11.379 -20.425 1.00 14.22 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.138 -14.239 -19.221 1.00 9.33  ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.886 -14.880 -19.682 1.00 9.73  ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.245 -16.108 -20.495 1.00 9.11  ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -19.030 -16.955 -20.023 1.00 9.18  ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -17.017 -15.268 -18.493 1.00 11.61 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.777 -16.048 -18.870 1.00 11.95 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.756 -15.419 -19.553 1.00 12.35 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.604 -17.372 -18.498 1.00 13.30 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.589 -16.128 -19.868 1.00 15.29 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.457 -18.084 -18.849 1.00 14.55 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.449 -17.448 -19.519 1.00 13.78 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.668 -16.229 -21.694 1.00 8.91  ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.823 -17.422 -22.559 1.00 9.15  ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.445 -18.010 -22.862 1.00 8.65  ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.574 -17.300 -23.322 1.00 10.35 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.557 -17.075 -23.880 1.00 9.65  ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.675 -18.321 -24.743 1.00 10.75 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.926 -16.440 -23.591 1.00 10.59 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.295 -19.281 -22.554 1.00 9.11  ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.119 -20.095 -22.993 1.00 10.26 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.635 -21.114 -24.013 1.00 9.25  ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.271 -22.102 -23.653 1.00 9.42  ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.390 -20.701 -21.808 1.00 10.44 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.125 -21.448 -22.182 1.00 13.41 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -13.003 -21.888 -23.357 1.00 13.59 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.303 -21.594 -21.221 1.00 16.59 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.412 -20.798 -25.300 1.00 10.73 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.968 -21.625 -26.381 1.00 10.15 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.438 -23.074 -26.285 1.00 11.06 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.174 -24.016 -26.239 1.00 11.83 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.691 -20.981 -27.756 1.00 10.50 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.623 -21.570 -28.791 1.00 10.62 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.446 -22.847 -29.296 1.00 10.95 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.764 -20.896 -29.194 1.00 10.39 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.331 -23.430 -30.157 1.00 10.54 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.675 -21.471 -30.061 1.00 9.88  ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.462 -22.735 -30.588 1.00 10.11 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.345 -23.356 -31.416 1.00 10.94 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.132 -23.217 -26.186 1.00 13.79 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.487 -24.558 -26.219 1.00 14.05 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.912 -25.365 -25.002 1.00 12.95 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.269 -26.537 -25.153 1.00 14.73 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.983 -24.421 -26.313 1.00 15.87 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.540 -24.175 -27.768 1.00 21.16 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.968 -22.887 -28.378 1.00 24.38 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.170 -22.887 -29.556 1.00 22.16 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -12.048 -21.857 -27.640 1.00 27.11 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.982 -24.739 -23.830 1.00 11.85 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.367 -25.418 -22.589 1.00 12.88 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.861 -25.720 -22.513 1.00 11.69 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.264 -26.599 -21.728 1.00 13.32 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.947 -24.610 -21.390 1.00 14.46 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.716 -25.093 -23.317 1.00 9.54  ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.160 -25.251 -23.196 1.00 9.29  ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.721 -24.598 -21.923 1.00 8.35  ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.484 -25.281 -21.257 1.00 9.41  ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.319 -23.378 -21.639 1.00 9.62  ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.704 -22.691 -20.374 1.00 9.50  ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.308 -21.337 -20.701 1.00 8.98  ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.732 -20.567 -21.480 1.00 9.93  ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.466 -22.551 -19.472 1.00 10.42 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.739 -21.561 -18.322 1.00 11.30 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -17.037 -23.920 -18.980 1.00 11.15 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.412 -21.025 -20.009 1.00 8.89  ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.949 -19.642 -19.926 1.00 8.16  ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.140 -19.276 -18.445 1.00 7.93  ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.917 -19.994 -17.777 1.00 8.98  ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.293 -19.500 -20.664 1.00 8.54  ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.756 -18.045 -20.656 1.00 9.06  ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.153 -20.043 -22.077 1.00 9.15  ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.498 -18.218 -17.982 1.00 8.24  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.606 -17.817 -16.563 1.00 8.93  ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.085 -16.381 -16.451 1.00 8.68  ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.773 -15.564 -17.289 1.00 9.56  ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.279 -18.007 -15.870 1.00 8.64  ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.940 -19.401 -15.755 1.00 10.06 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.793 -16.113 -15.363 1.00 8.03  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.424 -14.820 -15.059 1.00 7.89  ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.877 -14.359 -13.720 1.00 8.28  ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.909 -15.167 -12.762 1.00 8.65  ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.963 -14.927 -15.052 1.00 8.11  ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.542 -15.319 -16.388 1.00 8.16  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.596 -16.658 -16.767 1.00 7.80  ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -25.033 -14.349 -17.255 1.00 7.87  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -25.097 -17.022 -18.014 1.00 7.89  ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.549 -14.730 -18.496 1.00 7.75  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.596 -16.055 -18.866 1.00 7.57  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.568 -13.075 -13.645 1.00 8.82  ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.928 -12.467 -12.451 1.00 10.34 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.679 -11.209 -12.033 1.00 10.63 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.149 -10.416 -12.835 1.00 10.54 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.454 -12.173 -12.705 1.00 10.86 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.653 -13.415 -12.986 1.00 11.35 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.128 -14.184 -11.967 1.00 11.74 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.432 -13.858 -14.277 1.00 11.48 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.440 -15.359 -12.223 1.00 12.97 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.715 -15.014 -14.549 1.00 12.05 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.178 -15.766 -13.520 1.00 12.29 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.543 -16.972 -13.791 1.00 14.25 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.721 -10.982 -10.719 1.00 11.04 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.440 -9.831  -10.086 1.00 11.21 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.411 -8.714  -9.889  1.00 12.20 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.642 -8.769  -8.897  1.00 13.30 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -23.081 -10.292 -8.781  1.00 11.79 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.904 -9.207  -8.117  1.00 11.77 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.708 -8.028  -8.456  1.00 12.64 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.787 -9.595  -7.234  1.00 13.05 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.325 -7.727  -10.780 1.00 12.70 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.250 -6.715  -10.735 1.00 13.92 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.471 -5.858  -9.474  1.00 14.86 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.466 -5.394  -8.884  1.00 17.56 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.243 -5.896  -12.029 1.00 14.14 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -20.057 -6.777  -13.282 1.00 15.51 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.210 -4.791  -11.955 1.00 16.07 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -19.023 -7.832  -13.146 1.00 18.98 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.729 -5.626  -9.116  1.00 14.82 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.115 -4.773  -7.935  1.00 15.54 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.591 -5.424  -6.656  1.00 18.72 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.192 -4.675  -5.742  1.00 22.96 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.635 -4.628  -7.858  1.00 14.79 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.106 -4.198  -9.135  1.00 14.99 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.076 -3.650  -6.795  1.00 16.66 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.513 -6.751  -6.590  1.00 17.47 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -21.012 -7.505  -5.410  1.00 18.67 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.592 -8.036  -5.643  1.00 18.57 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.387 -9.264  -5.496  1.00 18.54 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -22.030 -8.550  -5.028  1.00 17.36 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.623 -9.350  -3.818  1.00 21.43 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.139 -8.719  -2.847  1.00 21.35 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.806 -10.571 -3.875  1.00 21.15 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.672 -7.170  -6.045  1.00 20.63 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.225 -7.480  -6.196  1.00 25.19 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -17.056 -8.680  -7.138  1.00 22.09 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -16.166 -9.483  -6.916  1.00 23.77 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.589 -7.855  -4.845  1.00 30.12 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.842 -6.932  -3.697  1.00 37.16 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.285 -5.667  -3.623  1.00 44.52 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.523 -7.123  -2.545  1.00 41.85 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.652 -5.094  -2.491  1.00 48.33 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.410 -5.974  -1.802  1.00 45.33 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.930 -8.861  -8.125  1.00 18.20 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.661 -9.890  -9.153  1.00 15.57 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -18.075 -11.292 -8.741  1.00 13.14 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.535 -12.219 -9.324  1.00 13.88 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.902 -11.449 -7.721  1.00 12.74 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.280 -12.768 -7.178  1.00 10.93 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.975 -13.605 -8.266  1.00 11.80 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.748 -13.074 -9.080  1.00 11.92 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.156 -12.660 -5.951  1.00 12.18 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.347 -11.904 -6.147  1.00 13.45 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.755 -14.906 -8.281  1.00 11.26 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.395 -15.808 -9.268  1.00 10.71 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.901 -15.839 -9.038  1.00 10.03 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.408 -16.079 -7.904  1.00 10.91 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.797 -17.211 -9.141  1.00 10.83 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.359 -18.261 -10.104 1.00 11.43 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.968 -17.944 -11.542 1.00 11.57 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.823 -19.659 -9.686  1.00 11.56 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.657 -15.700 -10.138 1.00 8.93  ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.099 -15.923 -10.151 1.00 9.63  ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.447 -17.336 -10.624 1.00 8.45  ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.255 -18.034 -10.017 1.00 8.71  ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.771 -14.836 -11.009 1.00 10.22 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.600 -13.449 -10.409 1.00 10.15 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.235 -15.179 -11.224 1.00 9.71  ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -25.072 -12.330 -11.324 1.00 11.03 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.874 -17.765 -11.759 1.00 8.22  ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.281 -19.053 -12.350 1.00 7.49  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.259 -19.446 -13.417 1.00 7.41  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.748 -18.567 -14.142 1.00 8.40  ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.648 -18.954 -13.071 1.00 8.12  ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.185 -20.305 -13.426 1.00 7.98  ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.835 -21.103 -12.496 1.00 8.32  ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -26.047 -20.849 -14.700 1.00 7.57  ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.298 -22.371 -12.815 1.00 9.29  ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.518 -22.110 -15.019 1.00 8.22  ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -27.105 -22.901 -14.075 1.00 9.17  ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.511 -24.179 -14.343 1.00 11.34 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.962 -20.756 -13.495 1.00 8.35  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.135 -21.382 -14.549 1.00 8.69  ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.905 -22.472 -15.253 1.00 8.33  ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.288 -23.471 -14.665 1.00 8.64  ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.803 -21.905 -13.976 1.00 8.80  ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -20.004 -20.778 -13.596 1.00 9.44  ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -20.027 -22.698 -15.015 1.00 9.76  ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.111 -22.300 -16.566 1.00 8.72  ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.490 -23.394 -17.487 1.00 7.91  ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.192 -24.078 -17.938 1.00 8.12  ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.310 -23.420 -18.483 1.00 8.89  ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.183 -22.874 -18.750 1.00 8.67  ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.538 -22.251 -18.609 1.00 7.53  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.706 -20.890 -18.349 1.00 7.79  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.665 -23.010 -18.809 1.00 8.07  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.983 -20.357 -18.244 1.00 8.19  ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.941 -22.470 -18.681 1.00 8.08  ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -28.084 -21.129 -18.433 1.00 7.72  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -22.105 -25.371 -17.638 1.00 9.70  ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.962 -26.151 -18.122 1.00 10.88 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.471 -27.311 -18.975 1.00 11.18 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.683 -27.567 -19.082 1.00 13.23 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.122 -26.552 -16.946 1.00 12.23 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.768 -27.528 -16.173 1.00 15.21 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.511 -27.960 -19.660 1.00 12.77 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.852 -29.030 -20.640 1.00 14.35 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.806 -28.472 -21.717 1.00 13.05 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.761 -29.189 -22.161 1.00 14.44 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.527 -30.233 -19.988 1.00 17.00 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.857 -30.759 -18.729 1.00 22.58 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.489 -32.093 -18.380 1.00 31.85 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.508 -32.106 -17.670 1.00 36.95 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -21.025 -33.103 -18.922 1.00 37.82 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.593 -27.205 -22.091 1.00 11.22 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.486 -26.566 -23.077 1.00 10.91 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.233 -27.214 -24.446 1.00 11.50 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -21.022 -27.433 -24.784 1.00 13.18 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.251 -25.068 -23.221 1.00 10.27 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.671 -24.131 -21.714 1.00 10.49 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.289 -27.407 -25.215 1.00 11.66 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.134 -27.932 -26.593 1.00 12.91 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.536 -26.777 -27.525 1.00 12.04 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.701 -26.647 -27.894 1.00 13.65 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.887 -29.273 -26.753 1.00 15.72 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.763 -29.739 -28.207 1.00 16.75 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.320 -30.334 -25.810 1.00 16.97 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.625 -25.864 -27.845 1.00 11.25 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.922 -24.603 -28.565 1.00 11.41 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.499 -24.982 -29.934 1.00 13.15 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.521 -24.411 -30.369 1.00 13.53 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.724 -23.674 -28.552 1.00 11.30 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.321 -23.185 -27.188 1.00 10.08 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.281 -22.715 -26.307 1.00 10.87 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.998 -23.185 -26.803 1.00 11.38 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.889 -22.257 -25.055 1.00 9.39  ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.611 -22.724 -25.562 1.00 11.05 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.552 -22.233 -24.697 1.00 10.50 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.804 -25.868 -30.642 1.00 11.94 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.270 -26.444 -31.925 1.00 12.80 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.341 -25.370 -33.021 1.00 12.57 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.147 -25.552 -34.012 1.00 13.34 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.557 -27.181 -31.791 1.00 12.67 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.567 -24.316 -32.938 1.00 13.16 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.522 -23.253 -33.952 1.00 14.21 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.922 -21.982 -33.413 1.00 12.67 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.498 -21.910 -32.240 1.00 12.54 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.814 -20.962 -34.253 1.00 11.14 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.388 -19.661 -33.803 1.00 10.05 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.348 -19.099 -32.735 1.00 9.87  ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.558 -19.360 -32.772 1.00 10.11 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.409 -18.757 -35.044 1.00 10.81 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.495 -19.792 -36.202 1.00 10.70 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.248 -20.964 -35.665 1.00 10.25 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.773 -18.354 -31.809 1.00 9.70  ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.572 -17.712 -30.711 1.00 9.40  ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.673 -16.220 -30.942 1.00 9.36  ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.730 -15.571 -31.412 1.00 10.71 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.877 -17.961 -29.373 1.00 9.61  ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.876 -19.398 -28.855 1.00 10.44 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.044 -19.475 -27.566 1.00 10.50 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.298 -19.887 -28.655 1.00 10.69 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.808 -15.660 -30.497 1.00 9.47  ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -24.047 -14.201 -30.496 1.00 8.95  ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.461 -13.715 -29.111 1.00 7.98  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.213 -14.417 -28.459 1.00 8.54  ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.098 -13.843 -31.553 1.00 10.77 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.513 -14.156 -32.930 1.00 12.13 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.479 -13.818 -34.017 1.00 13.98 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.515 -12.379 -34.134 1.00 13.24 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.212 -11.758 -35.073 1.00 14.32 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.814 -12.468 -36.002 1.00 15.33 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.247 -10.443 -35.065 1.00 13.40 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.988 -12.532 -28.666 1.00 8.02  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.542 -11.920 -27.440 1.00 7.80  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.060 -11.771 -27.596 1.00 7.49  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.547 -11.432 -28.671 1.00 8.19  ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.835 -10.568 -27.352 1.00 7.84  ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.524 -10.795 -28.118 1.00 8.56  ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.960 -11.684 -29.268 1.00 9.22  ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.795 -12.057 -26.521 1.00 7.47  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.271 -12.089 -26.506 1.00 7.67  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.833 -11.157 -25.414 1.00 7.40  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.318 -11.152 -24.294 1.00 7.17  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.761 -13.511 -26.267 1.00 8.12  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.256 -13.596 -26.080 1.00 8.06  ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.097 -13.571 -27.182 1.00 8.43  ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.849 -13.625 -24.822 1.00 8.28  ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.480 -13.633 -27.034 1.00 8.19  ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.225 -13.648 -24.680 1.00 8.16  ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -33.041 -13.668 -25.776 1.00 8.37  ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.903 -10.399 -25.754 1.00 7.03  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.495 -9.367  -24.875 1.00 7.07  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -32.011 -9.434  -24.998 1.00 7.30  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.524 -9.463  -26.142 1.00 7.89  ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -30.036 -7.962  -25.262 1.00 7.24  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.538 -7.812  -25.363 1.00 7.48  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.884 -8.113  -26.544 1.00 7.34  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.783 -7.336  -24.292 1.00 8.30  ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.500 -8.059  -26.638 1.00 7.63  ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.409 -7.224  -24.411 1.00 8.61  ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.767 -7.589  -25.579 1.00 8.43  ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.688 -9.310  -23.857 1.00 7.47  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.146 -9.040  -23.844 1.00 7.46  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.362 -7.910  -22.839 1.00 7.68  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -34.048 -8.086  -21.679 1.00 8.59  ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.941 -10.258 -23.418 1.00 7.85  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.437 -10.055 -23.527 1.00 8.90  ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.951 -9.009  -23.858 1.00 9.13  ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.156 -11.127 -23.282 1.00 9.50  ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.894 -6.767  -23.308 1.00 7.38  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.166 -5.596  -22.412 1.00 7.70  ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.427 -5.832  -21.577 1.00 8.73  ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.655 -5.001  -20.671 1.00 8.76  ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.225 -4.247  -23.163 1.00 8.30  ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.908 -3.932  -23.824 1.00 9.07  ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.367 -4.169  -24.162 1.00 8.83  ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.250 -6.810  -21.978 1.00 8.56  ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.546 -7.101  -21.326 1.00 9.43  ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.627 -6.124  -21.717 1.00 9.22  ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.374 -5.055  -22.283 1.00 8.74  ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.868 -6.545  -21.473 1.00 9.15  ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -42.065 -5.683  -21.653 1.00 9.14  ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -42.107 -4.627  -20.569 1.00 8.90  ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.392 -4.720  -19.570 1.00 8.47  ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.340 -6.527  -21.736 1.00 9.60  ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.443 -7.374  -22.982 1.00 10.59 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.875 -6.811  -24.178 1.00 11.25 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.165 -8.730  -22.943 1.00 11.95 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.920 -7.579  -25.348 1.00 13.06 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.268 -9.478  -24.116 1.00 12.01 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.682 -8.914  -25.283 1.00 12.25 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.954 -3.630  -20.791 1.00 8.80  ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.136 -2.544  -19.798 1.00 8.03  ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.655 -2.401  -19.566 1.00 8.06  ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.195 -1.268  -19.654 1.00 9.55  ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.493 -1.262  -20.256 1.00 8.72  ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.548 -0.183  -19.224 1.00 8.62  ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.600 -0.438  -18.028 1.00 8.92  ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.517 1.055   -19.716 1.00 10.53 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.318 -3.486  -19.231 1.00 8.64  ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.753 -3.432  -18.843 1.00 8.54  ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.922 -2.594  -17.572 1.00 8.76  ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -48.006 -1.955  -17.334 1.00 9.93  ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.343 -4.831  -18.627 1.00 9.17  ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.424 -5.709  -19.849 1.00 10.60 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.421 -5.484  -20.783 1.00 12.66 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.544 -6.763  -20.041 1.00 12.46 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.503 -6.230  -21.948 1.00 13.10 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.620 -7.508  -21.229 1.00 12.54 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.594 -7.239  -22.159 1.00 12.72 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.751 -8.016  -23.297 1.00 16.81 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.988 -2.646  -16.636 1.00 8.63  ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -46.081 -2.031  -15.284 1.00 9.19  ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.807 -0.520  -15.309 1.00 9.41  ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.104 0.161   -14.271 1.00 11.07 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.115 -2.652  -14.313 1.00 9.16  ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.766 -2.367  -14.750 1.00 9.61  ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.130 0.009   -16.322 1.00 8.57  ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.611 1.402   -16.283 1.00 8.96  ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.347 1.527   -15.481 1.00 9.19  ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.857 2.650   -15.378 1.00 11.23 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.822 0.423   -14.921 1.00 8.74  ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.600 0.438   -14.111 1.00 8.48  ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.419 -0.205  -14.822 1.00 9.76  ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.351 -0.289  -14.149 1.00 10.71 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.555 -0.608  -16.076 1.00 8.56  ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.454 -1.317  -16.773 1.00 8.31  ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.995 -0.604  -18.047 1.00 7.76  ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.448 -1.282  -18.930 1.00 9.26  ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.819 -2.773  -17.083 1.00 8.37  ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.608 -3.648  -17.363 1.00 8.02  ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.577 -3.448  -16.741 1.00 8.80  ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.790 -4.574  -18.291 1.00 8.61  ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -39.102 0.712   -18.125 1.00 9.41  ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.702 1.450   -19.344 1.00 9.94  ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.180 1.548   -19.525 1.00 9.90  ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.760 1.817   -20.653 1.00 11.96 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.311 2.855   -19.330 1.00 10.91 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.397 1.400   -18.461 1.00 9.94  ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.959 1.721   -18.517 1.00 9.80  ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.261 0.823   -19.539 1.00 10.04 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.641 -0.323  -19.773 1.00 9.20  ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.317 1.557   -17.173 1.00 9.73  ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.167 1.327   -20.146 1.00 9.49  ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.420 0.536   -21.135 1.00 9.46  ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.512 -0.568  -20.545 1.00 9.23  ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.169 -0.487  -19.378 1.00 10.03 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.548 1.595   -21.825 1.00 10.32 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.273 2.579   -20.719 1.00 11.57 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.619 2.688   -19.995 1.00 11.68 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.114 -1.519  -21.395 1.00 9.45  ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.877 -2.289  -21.172 1.00 9.25  ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.744 -1.494  -21.813 1.00 9.72  ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.918 -0.990  -22.954 1.00 11.19 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -30.031 -3.669  -21.791 1.00 9.14  ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -31.073 -4.599  -21.156 1.00 9.70  ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.219 -5.895  -21.940 1.00 10.71 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.678 -4.920  -19.727 1.00 11.06 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.594 -1.417  -21.140 1.00 9.67  ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.456 -0.648  -21.697 1.00 10.36 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.208 -1.505  -21.648 1.00 10.90 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.882 -2.033  -20.548 1.00 11.17 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.183 0.642   -20.923 1.00 11.68 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.374 1.569   -20.722 1.00 14.42 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.947 2.891   -20.066 1.00 17.84 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -28.066 3.810   -19.657 1.00 21.39 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.519 4.930   -18.847 1.00 27.02 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.487 -1.556  -22.744 1.00 11.19 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.143 -2.201  -22.759 1.00 11.67 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.155 -1.254  -22.093 1.00 12.40 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -22.011 -0.121  -22.608 1.00 15.86 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.758 -2.593  -24.187 1.00 11.97 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.514 -3.848  -24.639 1.00 12.33 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.711 -3.975  -26.142 1.00 16.30 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.862 -5.098  -24.040 1.00 10.95 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.508 -1.705  -21.020 1.00 13.69 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.617 -0.851  -20.171 1.00 16.80 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.233 -0.777  -20.768 1.00 18.44 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.747 -1.755  -21.292 1.00 18.98 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.287 -1.475  -18.833 1.00 19.54 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.685 -2.090  -17.915 1.00 20.08 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.553 0.380   -20.648 1.00 24.57 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.213 0.552   -21.170 1.00 30.44 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.241 -0.377  -20.442 1.00 31.28 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.447 -0.649  -19.250 1.00 33.35 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.917 2.047   -20.913 1.00 27.34 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.869 2.468   -19.832 1.00 27.58 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -19.095 1.611   -20.060 1.00 24.91 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.288 -0.875  -21.237 1.00 35.79 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -14.028 -1.580  -20.887 1.00 37.41 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.196 -0.709  -19.949 1.00 42.88 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.377 -1.300  -19.240 1.00 48.31 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.257 -1.849  -22.187 1.00 36.60 ? 192 LEU B CB  1 
HETATM 1567 C C4  . O1J B 2 .   ? -44.442 -5.669  -29.355 0.56 9.70  ? 201 O1J B C4  1 
HETATM 1568 C C5  . O1J B 2 .   ? -43.264 -6.399  -29.316 0.56 9.86  ? 201 O1J B C5  1 
HETATM 1569 C C6  . O1J B 2 .   ? -43.306 -7.775  -29.234 0.56 10.06 ? 201 O1J B C6  1 
HETATM 1570 C C7  . O1J B 2 .   ? -44.521 -8.415  -29.182 0.56 10.10 ? 201 O1J B C7  1 
HETATM 1571 C C8  . O1J B 2 .   ? -45.699 -7.686  -29.222 0.56 10.10 ? 201 O1J B C8  1 
HETATM 1572 C C   . O1J B 2 .   ? -46.989 -4.379  -25.836 0.56 10.59 ? 201 O1J B C   1 
HETATM 1573 O O   . O1J B 2 .   ? -46.342 -3.528  -25.142 0.56 12.99 ? 201 O1J B O   1 
HETATM 1574 C C1  . O1J B 2 .   ? -46.653 -4.436  -27.310 0.56 10.61 ? 201 O1J B C1  1 
HETATM 1575 C C2  . O1J B 2 .   ? -46.966 -5.525  -29.359 0.56 10.16 ? 201 O1J B C2  1 
HETATM 1576 C C3  . O1J B 2 .   ? -45.673 -6.308  -29.319 0.56 9.89  ? 201 O1J B C3  1 
HETATM 1577 O O1  . O1J B 2 .   ? -47.897 -5.145  -25.410 0.56 10.94 ? 201 O1J B O1  1 
HETATM 1578 O O2  . O1J B 2 .   ? -47.464 -5.339  -28.038 0.56 10.43 ? 201 O1J B O2  1 
HETATM 1579 C C1  . EDO C 3 .   ? -50.620 -16.960 -33.177 1.00 39.67 ? 202 EDO B C1  1 
HETATM 1580 O O1  . EDO C 3 .   ? -49.300 -16.449 -33.061 1.00 34.65 ? 202 EDO B O1  1 
HETATM 1581 C C2  . EDO C 3 .   ? -51.293 -17.161 -31.871 1.00 36.96 ? 202 EDO B C2  1 
HETATM 1582 O O2  . EDO C 3 .   ? -51.298 -15.987 -31.101 1.00 41.49 ? 202 EDO B O2  1 
HETATM 1583 S S   . SO4 D 4 .   ? -40.502 -24.526 -26.363 1.00 34.57 ? 203 SO4 B S   1 
HETATM 1584 O O1  . SO4 D 4 .   ? -39.761 -23.569 -27.106 1.00 22.67 ? 203 SO4 B O1  1 
HETATM 1585 O O2  . SO4 D 4 .   ? -41.474 -25.165 -27.206 1.00 39.89 ? 203 SO4 B O2  1 
HETATM 1586 O O3  . SO4 D 4 .   ? -39.565 -25.508 -25.851 1.00 40.74 ? 203 SO4 B O3  1 
HETATM 1587 O O4  . SO4 D 4 .   ? -41.197 -23.910 -25.245 1.00 37.97 ? 203 SO4 B O4  1 
HETATM 1588 O O   . HOH E 5 .   ? -26.983 -28.456 -27.843 1.00 20.95 ? 301 HOH B O   1 
HETATM 1589 O O   . HOH E 5 .   ? -47.141 -16.672 -32.136 1.00 19.13 ? 302 HOH B O   1 
HETATM 1590 O O   . HOH E 5 .   ? -22.749 -1.866  -9.678  1.00 24.35 ? 303 HOH B O   1 
HETATM 1591 O O   . HOH E 5 .   ? -45.759 3.697   -34.095 1.00 15.89 ? 304 HOH B O   1 
HETATM 1592 O O   . HOH E 5 .   ? -13.509 -23.537 -31.575 1.00 12.45 ? 305 HOH B O   1 
HETATM 1593 O O   . HOH E 5 .   ? -38.781 -15.358 -11.582 1.00 28.05 ? 306 HOH B O   1 
HETATM 1594 O O   . HOH E 5 .   ? -45.684 0.084   -11.767 1.00 16.09 ? 307 HOH B O   1 
HETATM 1595 O O   . HOH E 5 .   ? -38.769 0.820   -11.937 1.00 29.13 ? 308 HOH B O   1 
HETATM 1596 O O   . HOH E 5 .   ? -18.686 -22.003 -35.785 1.00 13.74 ? 309 HOH B O   1 
HETATM 1597 O O   . HOH E 5 .   ? -40.209 -1.094  -9.628  1.00 21.05 ? 310 HOH B O   1 
HETATM 1598 O O   . HOH E 5 .   ? -35.737 -19.122 -30.528 1.00 24.81 ? 311 HOH B O   1 
HETATM 1599 O O   . HOH E 5 .   ? -41.219 -7.931  -3.429  1.00 37.42 ? 312 HOH B O   1 
HETATM 1600 O O   . HOH E 5 .   ? -36.768 -16.210 -39.395 1.00 25.83 ? 313 HOH B O   1 
HETATM 1601 O O   . HOH E 5 .   ? -32.987 1.149   -33.492 1.00 17.20 ? 314 HOH B O   1 
HETATM 1602 O O   . HOH E 5 .   ? -32.889 -18.275 -37.152 1.00 31.80 ? 315 HOH B O   1 
HETATM 1603 O O   . HOH E 5 .   ? -35.970 -22.503 -19.562 1.00 21.95 ? 316 HOH B O   1 
HETATM 1604 O O   . HOH E 5 .   ? -12.762 -21.339 -18.648 1.00 26.09 ? 317 HOH B O   1 
HETATM 1605 O O   . HOH E 5 .   ? -38.138 2.778   -22.758 1.00 14.10 ? 318 HOH B O   1 
HETATM 1606 O O   . HOH E 5 .   ? -15.736 -5.566  -13.453 1.00 26.35 ? 319 HOH B O   1 
HETATM 1607 O O   . HOH E 5 .   ? -19.562 -29.783 -15.549 1.00 24.63 ? 320 HOH B O   1 
HETATM 1608 O O   . HOH E 5 .   ? -30.871 -6.736  -11.297 1.00 13.12 ? 321 HOH B O   1 
HETATM 1609 O O   . HOH E 5 .   ? -24.695 -30.991 -21.940 1.00 34.53 ? 322 HOH B O   1 
HETATM 1610 O O   . HOH E 5 .   ? -9.542  -18.686 -29.937 1.00 43.78 ? 323 HOH B O   1 
HETATM 1611 O O   . HOH E 5 .   ? -30.711 1.050   -16.984 1.00 26.43 ? 324 HOH B O   1 
HETATM 1612 O O   . HOH E 5 .   ? -26.175 3.431   -35.206 1.00 28.03 ? 325 HOH B O   1 
HETATM 1613 O O   . HOH E 5 .   ? -25.915 -22.674 -35.812 1.00 28.63 ? 326 HOH B O   1 
HETATM 1614 O O   . HOH E 5 .   ? -17.684 -21.354 -12.405 1.00 15.62 ? 327 HOH B O   1 
HETATM 1615 O O   . HOH E 5 .   ? -36.621 -22.983 -30.737 1.00 33.59 ? 328 HOH B O   1 
HETATM 1616 O O   . HOH E 5 .   ? -38.596 -7.588  -10.720 1.00 13.86 ? 329 HOH B O   1 
HETATM 1617 O O   . HOH E 5 .   ? -36.853 -25.957 -23.790 1.00 29.92 ? 330 HOH B O   1 
HETATM 1618 O O   . HOH E 5 .   ? -37.388 -25.599 -11.370 1.00 38.37 ? 331 HOH B O   1 
HETATM 1619 O O   . HOH E 5 .   ? -11.131 -21.190 -25.152 1.00 26.74 ? 332 HOH B O   1 
HETATM 1620 O O   . HOH E 5 .   ? -23.368 4.366   -24.573 1.00 21.24 ? 333 HOH B O   1 
HETATM 1621 O O   . HOH E 5 .   ? -29.454 -12.396 -37.698 1.00 19.86 ? 334 HOH B O   1 
HETATM 1622 O O   . HOH E 5 .   ? -30.907 -20.355 -21.333 1.00 9.39  ? 335 HOH B O   1 
HETATM 1623 O O   . HOH E 5 .   ? -26.629 1.943   -11.043 1.00 28.80 ? 336 HOH B O   1 
HETATM 1624 O O   . HOH E 5 .   ? -9.072  -13.436 -25.157 1.00 29.22 ? 337 HOH B O   1 
HETATM 1625 O O   . HOH E 5 .   ? -9.640  -20.849 -28.814 1.00 41.20 ? 338 HOH B O   1 
HETATM 1626 O O   . HOH E 5 .   ? -16.802 -5.675  -9.251  1.00 27.27 ? 339 HOH B O   1 
HETATM 1627 O O   . HOH E 5 .   ? -16.253 -19.703 -15.614 1.00 21.05 ? 340 HOH B O   1 
HETATM 1628 O O   . HOH E 5 .   ? -26.643 -25.767 -16.360 1.00 14.60 ? 341 HOH B O   1 
HETATM 1629 O O   . HOH E 5 .   ? -47.065 1.180   -25.367 1.00 23.88 ? 342 HOH B O   1 
HETATM 1630 O O   . HOH E 5 .   ? -45.295 7.573   -24.732 1.00 24.29 ? 343 HOH B O   1 
HETATM 1631 O O   . HOH E 5 .   ? -40.872 -9.457  -36.840 1.00 23.07 ? 344 HOH B O   1 
HETATM 1632 O O   . HOH E 5 .   ? -45.250 -12.305 -26.589 1.00 23.67 ? 345 HOH B O   1 
HETATM 1633 O O   . HOH E 5 .   ? -43.035 -15.377 -9.960  1.00 22.22 ? 346 HOH B O   1 
HETATM 1634 O O   . HOH E 5 .   ? -38.992 -2.453  -21.336 1.00 11.93 ? 347 HOH B O   1 
HETATM 1635 O O   . HOH E 5 .   ? -25.813 -14.351 -3.068  1.00 25.90 ? 348 HOH B O   1 
HETATM 1636 O O   . HOH E 5 .   ? -17.654 -27.680 -19.631 1.00 14.95 ? 349 HOH B O   1 
HETATM 1637 O O   . HOH E 5 .   ? -18.570 -4.643  -24.557 1.00 15.07 ? 350 HOH B O   1 
HETATM 1638 O O   . HOH E 5 .   ? -23.971 1.145   -10.716 1.00 28.86 ? 351 HOH B O   1 
HETATM 1639 O O   . HOH E 5 .   ? -49.930 -2.064  -19.290 1.00 23.75 ? 352 HOH B O   1 
HETATM 1640 O O   . HOH E 5 .   ? -41.872 1.670   -22.465 1.00 29.15 ? 353 HOH B O   1 
HETATM 1641 O O   . HOH E 5 .   ? -28.497 -21.686 -8.964  1.00 15.35 ? 354 HOH B O   1 
HETATM 1642 O O   . HOH E 5 .   ? -30.217 -23.938 -33.968 1.00 22.53 ? 355 HOH B O   1 
HETATM 1643 O O   . HOH E 5 .   ? -19.477 -4.325  -21.967 1.00 12.96 ? 356 HOH B O   1 
HETATM 1644 O O   . HOH E 5 .   ? -38.087 -14.532 -21.341 1.00 28.66 ? 357 HOH B O   1 
HETATM 1645 O O   . HOH E 5 .   ? -42.697 -5.750  -12.194 1.00 17.44 ? 358 HOH B O   1 
HETATM 1646 O O   . HOH E 5 .   ? -27.282 -20.414 -7.033  1.00 12.94 ? 359 HOH B O   1 
HETATM 1647 O O   . HOH E 5 .   ? -19.880 1.871   -30.361 1.00 29.75 ? 360 HOH B O   1 
HETATM 1648 O O   . HOH E 5 .   ? -10.391 -23.543 -21.696 1.00 24.87 ? 361 HOH B O   1 
HETATM 1649 O O   . HOH E 5 .   ? -17.853 -19.867 -37.497 1.00 23.94 ? 362 HOH B O   1 
HETATM 1650 O O   . HOH E 5 .   ? -41.822 -9.747  -43.743 1.00 20.95 ? 363 HOH B O   1 
HETATM 1651 O O   . HOH E 5 .   ? -34.138 -21.937 -31.411 1.00 15.80 ? 364 HOH B O   1 
HETATM 1652 O O   . HOH E 5 .   ? -40.775 -14.444 -8.338  1.00 27.38 ? 365 HOH B O   1 
HETATM 1653 O O   . HOH E 5 .   ? -38.623 3.844   -42.189 1.00 22.40 ? 366 HOH B O   1 
HETATM 1654 O O   . HOH E 5 .   ? -35.533 -4.487  -42.085 1.00 19.13 ? 367 HOH B O   1 
HETATM 1655 O O   . HOH E 5 .   ? -27.911 -27.550 -25.816 1.00 25.58 ? 368 HOH B O   1 
HETATM 1656 O O   . HOH E 5 .   ? -35.590 -17.162 -8.094  1.00 31.51 ? 369 HOH B O   1 
HETATM 1657 O O   . HOH E 5 .   ? -17.937 -4.480  -5.536  1.00 38.06 ? 370 HOH B O   1 
HETATM 1658 O O   . HOH E 5 .   ? -26.852 -17.741 -7.742  1.00 12.80 ? 371 HOH B O   1 
HETATM 1659 O O   . HOH E 5 .   ? -40.306 -14.358 -31.434 1.00 10.70 ? 372 HOH B O   1 
HETATM 1660 O O   . HOH E 5 .   ? -41.138 -6.042  -37.942 1.00 19.66 ? 373 HOH B O   1 
HETATM 1661 O O   . HOH E 5 .   ? -21.022 -16.442 -5.496  1.00 15.71 ? 374 HOH B O   1 
HETATM 1662 O O   . HOH E 5 .   ? -23.356 2.316   -22.932 1.00 27.86 ? 375 HOH B O   1 
HETATM 1663 O O   . HOH E 5 .   ? -13.566 -21.101 -35.146 1.00 27.56 ? 376 HOH B O   1 
HETATM 1664 O O   . HOH E 5 .   ? -36.261 -1.778  -33.851 1.00 16.18 ? 377 HOH B O   1 
HETATM 1665 O O   . HOH E 5 .   ? -36.658 -1.023  -22.092 1.00 10.74 ? 378 HOH B O   1 
HETATM 1666 O O   . HOH E 5 .   ? -45.768 -19.561 -31.611 1.00 25.49 ? 379 HOH B O   1 
HETATM 1667 O O   . HOH E 5 .   ? -32.351 -5.025  -12.886 1.00 11.92 ? 380 HOH B O   1 
HETATM 1668 O O   . HOH E 5 .   ? -42.273 -3.919  -39.335 1.00 16.56 ? 381 HOH B O   1 
HETATM 1669 O O   . HOH E 5 .   ? -25.422 -10.494 -23.550 1.00 9.68  ? 382 HOH B O   1 
HETATM 1670 O O   . HOH E 5 .   ? -19.275 -29.246 -23.448 1.00 22.49 ? 383 HOH B O   1 
HETATM 1671 O O   . HOH E 5 .   ? -24.130 -12.436 -6.476  1.00 15.68 ? 384 HOH B O   1 
HETATM 1672 O O   . HOH E 5 .   ? -25.806 -26.987 -23.918 1.00 14.78 ? 385 HOH B O   1 
HETATM 1673 O O   . HOH E 5 .   ? -37.116 0.824   -15.552 1.00 13.03 ? 386 HOH B O   1 
HETATM 1674 O O   . HOH E 5 .   ? -45.987 -4.171  -33.960 1.00 15.59 ? 387 HOH B O   1 
HETATM 1675 O O   . HOH E 5 .   ? -34.869 -8.942  -5.980  1.00 39.54 ? 388 HOH B O   1 
HETATM 1676 O O   . HOH E 5 .   ? -42.047 -11.479 -38.960 1.00 26.33 ? 389 HOH B O   1 
HETATM 1677 O O   . HOH E 5 .   ? -14.947 -19.835 -37.516 1.00 21.79 ? 390 HOH B O   1 
HETATM 1678 O O   . HOH E 5 .   ? -12.606 -18.499 -34.700 1.00 33.45 ? 391 HOH B O   1 
HETATM 1679 O O   . HOH E 5 .   ? -45.695 -14.788 -27.636 1.00 28.92 ? 392 HOH B O   1 
HETATM 1680 O O   . HOH E 5 .   ? -33.449 -14.941 -6.974  1.00 18.54 ? 393 HOH B O   1 
HETATM 1681 O O   . HOH E 5 .   ? -33.513 -1.794  -38.338 1.00 24.24 ? 394 HOH B O   1 
HETATM 1682 O O   . HOH E 5 .   ? -24.960 -15.104 -6.815  1.00 13.56 ? 395 HOH B O   1 
HETATM 1683 O O   . HOH E 5 .   ? -14.461 -16.570 -33.094 1.00 25.88 ? 396 HOH B O   1 
HETATM 1684 O O   . HOH E 5 .   ? -35.900 -2.973  -10.125 1.00 44.52 ? 397 HOH B O   1 
HETATM 1685 O O   . HOH E 5 .   ? -24.072 -26.718 -15.957 1.00 19.79 ? 398 HOH B O   1 
HETATM 1686 O O   . HOH E 5 .   ? -41.567 -8.492  -13.209 1.00 17.06 ? 399 HOH B O   1 
HETATM 1687 O O   . HOH E 5 .   ? -34.009 -21.805 -36.621 1.00 33.84 ? 400 HOH B O   1 
HETATM 1688 O O   . HOH E 5 .   ? -40.011 2.651   -16.088 1.00 14.09 ? 401 HOH B O   1 
HETATM 1689 O O   . HOH E 5 .   ? -18.331 -17.296 -36.279 1.00 22.82 ? 402 HOH B O   1 
HETATM 1690 O O   . HOH E 5 .   ? -28.834 7.846   -29.904 1.00 30.37 ? 403 HOH B O   1 
HETATM 1691 O O   . HOH E 5 .   ? -43.825 -0.570  -24.370 1.00 22.53 ? 404 HOH B O   1 
HETATM 1692 O O   . HOH E 5 .   ? -31.606 3.481   -26.755 1.00 20.90 ? 405 HOH B O   1 
HETATM 1693 O O   . HOH E 5 .   ? -36.433 -0.077  -41.832 1.00 32.76 ? 406 HOH B O   1 
HETATM 1694 O O   . HOH E 5 .   ? -41.450 5.276   -28.356 1.00 19.21 ? 407 HOH B O   1 
HETATM 1695 O O   . HOH E 5 .   ? -16.172 -14.747 -8.560  1.00 28.75 ? 408 HOH B O   1 
HETATM 1696 O O   . HOH E 5 .   ? -24.345 -4.157  -36.804 1.00 33.18 ? 409 HOH B O   1 
HETATM 1697 O O   . HOH E 5 .   ? -25.020 -11.153 -4.136  1.00 20.91 ? 410 HOH B O   1 
HETATM 1698 O O   . HOH E 5 .   ? -9.423  -15.952 -26.457 1.00 23.56 ? 411 HOH B O   1 
HETATM 1699 O O   . HOH E 5 .   ? -13.323 -6.243  -29.118 1.00 26.80 ? 412 HOH B O   1 
HETATM 1700 O O   . HOH E 5 .   ? -18.033 -16.087 -6.142  1.00 22.02 ? 413 HOH B O   1 
HETATM 1701 O O   . HOH E 5 .   ? -17.938 -11.107 -35.532 1.00 22.82 ? 414 HOH B O   1 
HETATM 1702 O O   . HOH E 5 .   ? -42.420 -4.911  -43.696 1.00 17.68 ? 415 HOH B O   1 
HETATM 1703 O O   . HOH E 5 .   ? -52.669 -14.249 -29.060 1.00 40.95 ? 416 HOH B O   1 
HETATM 1704 O O   . HOH E 5 .   ? -31.113 4.064   -24.218 1.00 21.97 ? 417 HOH B O   1 
HETATM 1705 O O   . HOH E 5 .   ? -43.465 3.789   -18.786 1.00 17.58 ? 418 HOH B O   1 
HETATM 1706 O O   . HOH E 5 .   ? -40.118 -11.475 -22.686 1.00 29.38 ? 419 HOH B O   1 
HETATM 1707 O O   . HOH E 5 .   ? -34.408 -7.183  -7.989  1.00 28.09 ? 420 HOH B O   1 
HETATM 1708 O O   . HOH E 5 .   ? -41.209 -8.750  -19.394 1.00 13.26 ? 421 HOH B O   1 
HETATM 1709 O O   . HOH E 5 .   ? -40.971 6.326   -33.057 1.00 29.50 ? 422 HOH B O   1 
HETATM 1710 O O   . HOH E 5 .   ? -40.333 -7.390  -34.927 1.00 15.15 ? 423 HOH B O   1 
HETATM 1711 O O   . HOH E 5 .   ? -25.154 7.039   -28.830 1.00 24.93 ? 424 HOH B O   1 
HETATM 1712 O O   . HOH E 5 .   ? -20.104 2.287   -23.858 1.00 32.93 ? 425 HOH B O   1 
HETATM 1713 O O   . HOH E 5 .   ? -15.990 -12.345 -5.611  1.00 42.49 ? 426 HOH B O   1 
HETATM 1714 O O   . HOH E 5 .   ? -30.899 -17.500 -42.627 1.00 30.16 ? 427 HOH B O   1 
HETATM 1715 O O   . HOH E 5 .   ? -38.781 4.142   -13.744 1.00 27.27 ? 428 HOH B O   1 
HETATM 1716 O O   . HOH E 5 .   ? -16.151 -7.533  -11.296 1.00 23.17 ? 429 HOH B O   1 
HETATM 1717 O O   . HOH E 5 .   ? -47.813 0.000   -32.721 0.50 22.01 ? 430 HOH B O   1 
HETATM 1718 O O   . HOH E 5 .   ? -36.725 -6.581  -8.920  1.00 23.14 ? 431 HOH B O   1 
HETATM 1719 O O   . HOH E 5 .   ? -34.352 5.558   -18.163 1.00 30.98 ? 432 HOH B O   1 
HETATM 1720 O O   . HOH E 5 .   ? -32.667 -23.729 -33.158 1.00 31.70 ? 433 HOH B O   1 
HETATM 1721 O O   . HOH E 5 .   ? -26.293 -28.245 -21.399 1.00 32.86 ? 434 HOH B O   1 
HETATM 1722 O O   . HOH E 5 .   ? -8.420  -23.117 -30.062 1.00 27.86 ? 435 HOH B O   1 
HETATM 1723 O O   . HOH E 5 .   ? -21.720 6.917   -32.230 1.00 28.55 ? 436 HOH B O   1 
HETATM 1724 O O   . HOH E 5 .   ? -40.425 5.019   -22.014 1.00 22.85 ? 437 HOH B O   1 
HETATM 1725 O O   . HOH E 5 .   ? -22.934 3.342   -20.540 1.00 34.96 ? 438 HOH B O   1 
HETATM 1726 O O   . HOH E 5 .   ? -38.705 -16.471 -40.961 1.00 33.35 ? 439 HOH B O   1 
HETATM 1727 O O   . HOH E 5 .   ? -36.762 2.201   -43.131 1.00 34.98 ? 440 HOH B O   1 
HETATM 1728 O O   . HOH E 5 .   ? -15.995 -22.357 -14.478 1.00 27.60 ? 441 HOH B O   1 
HETATM 1729 O O   . HOH E 5 .   ? -28.456 -27.780 -16.855 1.00 21.70 ? 442 HOH B O   1 
HETATM 1730 O O   . HOH E 5 .   ? -16.103 -26.945 -17.227 1.00 32.63 ? 443 HOH B O   1 
HETATM 1731 O O   . HOH E 5 .   ? -26.452 -31.123 -23.913 1.00 23.83 ? 444 HOH B O   1 
HETATM 1732 O O   . HOH E 5 .   ? -42.378 -12.803 -22.487 1.00 26.54 ? 445 HOH B O   1 
# 
