data_7HO3
# 
_entry.id   7HO3 
# 
_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   7HO3         pdb_00007ho3 10.2210/pdb7ho3/pdb 
WWPDB D_1001407717 ?            ?                   
# 
_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                        7HO3 
_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           N 
_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 'N-[(3S)-1-propanoylpiperidin-3-yl]methanesulfonamide' 234.316   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    144 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'N-[(3S)-1-propanoylpiperidin-3-yl]methanesulfonamide' A1BF0 
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 
A1BF0 non-polymer         . 'N-[(3S)-1-propanoylpiperidin-3-yl]methanesulfonamide' ?                 'C9 H18 N2 O3 S' 234.316 
ALA   'L-peptide linking' y ALANINE                                                ?                 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE                                               ?                 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE                                             ?                 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID'                                        ?                 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE                                               ?                 'C3 H7 N O2 S'   121.158 
EDO   non-polymer         . 1,2-ETHANEDIOL                                         'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN   'L-peptide linking' y GLUTAMINE                                              ?                 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'                                        ?                 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE                                                ?                 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE                                              ?                 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER                                                  ?                 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE                                             ?                 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE                                                ?                 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE                                                 ?                 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE                                             ?                 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE                                          ?                 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE                                                ?                 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE                                                 ?                 'C3 H7 N O3'     105.093 
SO4   non-polymer         . 'SULFATE ION'                                          ?                 'O4 S -2'        96.063  
THR   'L-peptide linking' y THREONINE                                              ?                 'C4 H9 N O3'     119.119 
TRP   'L-peptide linking' y TRYPTOPHAN                                             ?                 'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE                                               ?                 'C9 H11 N O3'    181.189 
VAL   'L-peptide linking' y VALINE                                                 ?                 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1BF0 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BF0 
_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 A1BF0 1   201 201 A1BF0 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 99  HOH   HOH B . 
E 5 HOH   3   303 264 HOH   HOH B . 
E 5 HOH   4   304 12  HOH   HOH B . 
E 5 HOH   5   305 40  HOH   HOH B . 
E 5 HOH   6   306 26  HOH   HOH B . 
E 5 HOH   7   307 21  HOH   HOH B . 
E 5 HOH   8   308 5   HOH   HOH B . 
E 5 HOH   9   309 1   HOH   HOH B . 
E 5 HOH   10  310 33  HOH   HOH B . 
E 5 HOH   11  311 29  HOH   HOH B . 
E 5 HOH   12  312 51  HOH   HOH B . 
E 5 HOH   13  313 31  HOH   HOH B . 
E 5 HOH   14  314 63  HOH   HOH B . 
E 5 HOH   15  315 2   HOH   HOH B . 
E 5 HOH   16  316 16  HOH   HOH B . 
E 5 HOH   17  317 66  HOH   HOH B . 
E 5 HOH   18  318 184 HOH   HOH B . 
E 5 HOH   19  319 4   HOH   HOH B . 
E 5 HOH   20  320 10  HOH   HOH B . 
E 5 HOH   21  321 102 HOH   HOH B . 
E 5 HOH   22  322 90  HOH   HOH B . 
E 5 HOH   23  323 27  HOH   HOH B . 
E 5 HOH   24  324 80  HOH   HOH B . 
E 5 HOH   25  325 95  HOH   HOH B . 
E 5 HOH   26  326 9   HOH   HOH B . 
E 5 HOH   27  327 36  HOH   HOH B . 
E 5 HOH   28  328 39  HOH   HOH B . 
E 5 HOH   29  329 267 HOH   HOH B . 
E 5 HOH   30  330 70  HOH   HOH B . 
E 5 HOH   31  331 34  HOH   HOH B . 
E 5 HOH   32  332 81  HOH   HOH B . 
E 5 HOH   33  333 25  HOH   HOH B . 
E 5 HOH   34  334 129 HOH   HOH B . 
E 5 HOH   35  335 58  HOH   HOH B . 
E 5 HOH   36  336 93  HOH   HOH B . 
E 5 HOH   37  337 11  HOH   HOH B . 
E 5 HOH   38  338 2   HOH   HOH B . 
E 5 HOH   39  339 100 HOH   HOH B . 
E 5 HOH   40  340 26  HOH   HOH B . 
E 5 HOH   41  341 18  HOH   HOH B . 
E 5 HOH   42  342 211 HOH   HOH B . 
E 5 HOH   43  343 4   HOH   HOH B . 
E 5 HOH   44  344 28  HOH   HOH B . 
E 5 HOH   45  345 20  HOH   HOH B . 
E 5 HOH   46  346 62  HOH   HOH B . 
E 5 HOH   47  347 16  HOH   HOH B . 
E 5 HOH   48  348 86  HOH   HOH B . 
E 5 HOH   49  349 68  HOH   HOH B . 
E 5 HOH   50  350 19  HOH   HOH B . 
E 5 HOH   51  351 73  HOH   HOH B . 
E 5 HOH   52  352 50  HOH   HOH B . 
E 5 HOH   53  353 116 HOH   HOH B . 
E 5 HOH   54  354 7   HOH   HOH B . 
E 5 HOH   55  355 22  HOH   HOH B . 
E 5 HOH   56  356 126 HOH   HOH B . 
E 5 HOH   57  357 72  HOH   HOH B . 
E 5 HOH   58  358 29  HOH   HOH B . 
E 5 HOH   59  359 76  HOH   HOH B . 
E 5 HOH   60  360 112 HOH   HOH B . 
E 5 HOH   61  361 89  HOH   HOH B . 
E 5 HOH   62  362 6   HOH   HOH B . 
E 5 HOH   63  363 137 HOH   HOH B . 
E 5 HOH   64  364 10  HOH   HOH B . 
E 5 HOH   65  365 47  HOH   HOH B . 
E 5 HOH   66  366 214 HOH   HOH B . 
E 5 HOH   67  367 61  HOH   HOH B . 
E 5 HOH   68  368 55  HOH   HOH B . 
E 5 HOH   69  369 71  HOH   HOH B . 
E 5 HOH   70  370 43  HOH   HOH B . 
E 5 HOH   71  371 45  HOH   HOH B . 
E 5 HOH   72  372 27  HOH   HOH B . 
E 5 HOH   73  373 15  HOH   HOH B . 
E 5 HOH   74  374 157 HOH   HOH B . 
E 5 HOH   75  375 17  HOH   HOH B . 
E 5 HOH   76  376 59  HOH   HOH B . 
E 5 HOH   77  377 1   HOH   HOH B . 
E 5 HOH   78  378 3   HOH   HOH B . 
E 5 HOH   79  379 14  HOH   HOH B . 
E 5 HOH   80  380 64  HOH   HOH B . 
E 5 HOH   81  381 13  HOH   HOH B . 
E 5 HOH   82  382 8   HOH   HOH B . 
E 5 HOH   83  383 3   HOH   HOH B . 
E 5 HOH   84  384 24  HOH   HOH B . 
E 5 HOH   85  385 82  HOH   HOH B . 
E 5 HOH   86  386 125 HOH   HOH B . 
E 5 HOH   87  387 304 HOH   HOH B . 
E 5 HOH   88  388 22  HOH   HOH B . 
E 5 HOH   89  389 23  HOH   HOH B . 
E 5 HOH   90  390 42  HOH   HOH B . 
E 5 HOH   91  391 172 HOH   HOH B . 
E 5 HOH   92  392 32  HOH   HOH B . 
E 5 HOH   93  393 25  HOH   HOH B . 
E 5 HOH   94  394 48  HOH   HOH B . 
E 5 HOH   95  395 303 HOH   HOH B . 
E 5 HOH   96  396 97  HOH   HOH B . 
E 5 HOH   97  397 46  HOH   HOH B . 
E 5 HOH   98  398 30  HOH   HOH B . 
E 5 HOH   99  399 281 HOH   HOH B . 
E 5 HOH   100 400 32  HOH   HOH B . 
E 5 HOH   101 401 257 HOH   HOH B . 
E 5 HOH   102 402 12  HOH   HOH B . 
E 5 HOH   103 403 140 HOH   HOH B . 
E 5 HOH   104 404 60  HOH   HOH B . 
E 5 HOH   105 405 56  HOH   HOH B . 
E 5 HOH   106 406 49  HOH   HOH B . 
E 5 HOH   107 407 18  HOH   HOH B . 
E 5 HOH   108 408 8   HOH   HOH B . 
E 5 HOH   109 409 7   HOH   HOH B . 
E 5 HOH   110 410 156 HOH   HOH B . 
E 5 HOH   111 411 54  HOH   HOH B . 
E 5 HOH   112 412 120 HOH   HOH B . 
E 5 HOH   113 413 57  HOH   HOH B . 
E 5 HOH   114 414 20  HOH   HOH B . 
E 5 HOH   115 415 103 HOH   HOH B . 
E 5 HOH   116 416 33  HOH   HOH B . 
E 5 HOH   117 417 263 HOH   HOH B . 
E 5 HOH   118 418 69  HOH   HOH B . 
E 5 HOH   119 419 15  HOH   HOH B . 
E 5 HOH   120 420 85  HOH   HOH B . 
E 5 HOH   121 421 114 HOH   HOH B . 
E 5 HOH   122 422 38  HOH   HOH B . 
E 5 HOH   123 423 41  HOH   HOH B . 
E 5 HOH   124 424 197 HOH   HOH B . 
E 5 HOH   125 425 5   HOH   HOH B . 
E 5 HOH   126 426 53  HOH   HOH B . 
E 5 HOH   127 427 133 HOH   HOH B . 
E 5 HOH   128 428 19  HOH   HOH B . 
E 5 HOH   129 429 44  HOH   HOH B . 
E 5 HOH   130 430 266 HOH   HOH B . 
E 5 HOH   131 431 30  HOH   HOH B . 
E 5 HOH   132 432 115 HOH   HOH B . 
E 5 HOH   133 433 23  HOH   HOH B . 
E 5 HOH   134 434 205 HOH   HOH B . 
E 5 HOH   135 435 13  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   140 440 127 HOH   HOH B . 
E 5 HOH   141 441 14  HOH   HOH B . 
E 5 HOH   142 442 131 HOH   HOH B . 
E 5 HOH   143 443 270 HOH   HOH B . 
E 5 HOH   144 444 259 HOH   HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HO3 
_cell.length_a           95.428 
_cell.length_b           95.428 
_cell.length_c           45.683 
_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                         7HO3 
_symmetry.space_group_name_H-M             'I 4' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                79 
# 
_exptl.crystals_number   1 
_exptl.entry_id          7HO3 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.92 
_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                     7HO3 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.470 
_reflns.d_resolution_high            1.450 
_reflns.number_obs                   36545 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.314 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        19.000 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              13.000 
_reflns.pdbx_Rrim_I_all              0.327 
_reflns.pdbx_Rpim_I_all              0.091 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     473460 
_reflns.pdbx_scaling_rejects         0 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.450 1.480  ? 17079 1793 ? 8.848 ? ? ? 9.500  ? 2.100  ? ? ? ? ? ? 100.000 9.378 3.055 0.152 
1 2 7.940 67.470 ? 2885  244  ? 0.076 ? ? ? 11.800 ? 71.900 ? ? ? ? ? ? 99.900  0.080 0.024 0.996 
# 
_refine.entry_id                                 7HO3 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.4500 
_refine.ls_d_res_low                             67.4800 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.9600 
_refine.ls_number_reflns_obs                     34774 
_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                          0.1683 
_refine.ls_R_factor_R_work                       0.1674 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1849 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  1766 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               16.4520 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0700 
_refine.aniso_B[2][2]                            0.0700 
_refine.aniso_B[3][3]                            -0.1400 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9670 
_refine.correlation_coeff_Fo_to_Fc_free          0.9610 
_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                       0.0660 
_refine.pdbx_overall_ESU_R_Free                  0.0640 
_refine.overall_SU_ML                            0.0420 
_refine.overall_SU_B                             1.0990 
_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                                83.270 
_refine.B_iso_min                                8.770 
_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                       1.4500 
_refine_hist.d_res_low                        67.4800 
_refine_hist.pdbx_number_atoms_ligand         24 
_refine_hist.number_atoms_solvent             144 
_refine_hist.number_atoms_total               1661 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           30.79 
_refine_hist.pdbx_B_iso_mean_solvent          27.41 
_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       1989 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1621 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2510 1.956  1.641  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3744 1.482  1.579  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.186  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 109  26.863 21.009 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  12.217 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   23.175 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         221  0.097  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2216 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     486  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            944  1.431  1.470  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         938  1.425  1.453  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.234  2.184  ? ? 
# 
_refine_ls_shell.d_res_high                       1.4510 
_refine_ls_shell.d_res_low                        1.4880 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               99.6300 
_refine_ls_shell.number_reflns_R_work             2553 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.2410 
_refine_ls_shell.R_factor_R_free                  0.2510 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             118 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2671 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HO3 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z405825414' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HO3 
_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              7HO3 
_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 7HO3 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HO3 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HO3 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HO3 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HO3 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HO3 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HO3 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HO3 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       -4.23 
# 
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                   7HO3 
_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_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    B 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     308 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    B 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     315 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   8_445 
_pdbx_validate_symm_contact.dist              2.10 
# 
_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                125.40 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            13.60 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 71.01   33.93 
2 1 ASP B 152 ? ? -100.46 52.19 
# 
_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     421 
_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 
A1BF0 N1   N N N 1   
A1BF0 C4   C N N 2   
A1BF0 C5   C N N 3   
A1BF0 C6   C N N 4   
A1BF0 C7   C N R 5   
A1BF0 C8   C N N 6   
A1BF0 C1   C N N 7   
A1BF0 C2   C N N 8   
A1BF0 C3   C N N 9   
A1BF0 C9   C N N 10  
A1BF0 N2   N N N 11  
A1BF0 O1   O N N 12  
A1BF0 O2   O N N 13  
A1BF0 O3   O N N 14  
A1BF0 S1   S N N 15  
A1BF0 H7   H N N 16  
A1BF0 H6   H N N 17  
A1BF0 H8   H N N 18  
A1BF0 H9   H N N 19  
A1BF0 H10  H N N 20  
A1BF0 H11  H N N 21  
A1BF0 H12  H N N 22  
A1BF0 H13  H N N 23  
A1BF0 H14  H N N 24  
A1BF0 H1   H N N 25  
A1BF0 H3   H N N 26  
A1BF0 H2   H N N 27  
A1BF0 H5   H N N 28  
A1BF0 H4   H N N 29  
A1BF0 H17  H N N 30  
A1BF0 H18  H N N 31  
A1BF0 H16  H N N 32  
A1BF0 H15  H N N 33  
ALA   N    N N N 34  
ALA   CA   C N S 35  
ALA   C    C N N 36  
ALA   O    O N N 37  
ALA   CB   C N N 38  
ALA   OXT  O N N 39  
ALA   H    H N N 40  
ALA   H2   H N N 41  
ALA   HA   H N N 42  
ALA   HB1  H N N 43  
ALA   HB2  H N N 44  
ALA   HB3  H N N 45  
ALA   HXT  H N N 46  
ARG   N    N N N 47  
ARG   CA   C N S 48  
ARG   C    C N N 49  
ARG   O    O N N 50  
ARG   CB   C N N 51  
ARG   CG   C N N 52  
ARG   CD   C N N 53  
ARG   NE   N N N 54  
ARG   CZ   C N N 55  
ARG   NH1  N N N 56  
ARG   NH2  N N N 57  
ARG   OXT  O N N 58  
ARG   H    H N N 59  
ARG   H2   H N N 60  
ARG   HA   H N N 61  
ARG   HB2  H N N 62  
ARG   HB3  H N N 63  
ARG   HG2  H N N 64  
ARG   HG3  H N N 65  
ARG   HD2  H N N 66  
ARG   HD3  H N N 67  
ARG   HE   H N N 68  
ARG   HH11 H N N 69  
ARG   HH12 H N N 70  
ARG   HH21 H N N 71  
ARG   HH22 H N N 72  
ARG   HXT  H N N 73  
ASN   N    N N N 74  
ASN   CA   C N S 75  
ASN   C    C N N 76  
ASN   O    O N N 77  
ASN   CB   C N N 78  
ASN   CG   C N N 79  
ASN   OD1  O N N 80  
ASN   ND2  N N N 81  
ASN   OXT  O N N 82  
ASN   H    H N N 83  
ASN   H2   H N N 84  
ASN   HA   H N N 85  
ASN   HB2  H N N 86  
ASN   HB3  H N N 87  
ASN   HD21 H N N 88  
ASN   HD22 H N N 89  
ASN   HXT  H N N 90  
ASP   N    N N N 91  
ASP   CA   C N S 92  
ASP   C    C N N 93  
ASP   O    O N N 94  
ASP   CB   C N N 95  
ASP   CG   C N N 96  
ASP   OD1  O N N 97  
ASP   OD2  O N N 98  
ASP   OXT  O N N 99  
ASP   H    H N N 100 
ASP   H2   H N N 101 
ASP   HA   H N N 102 
ASP   HB2  H N N 103 
ASP   HB3  H N N 104 
ASP   HD2  H N N 105 
ASP   HXT  H N N 106 
CYS   N    N N N 107 
CYS   CA   C N R 108 
CYS   C    C N N 109 
CYS   O    O N N 110 
CYS   CB   C N N 111 
CYS   SG   S N N 112 
CYS   OXT  O N N 113 
CYS   H    H N N 114 
CYS   H2   H N N 115 
CYS   HA   H N N 116 
CYS   HB2  H N N 117 
CYS   HB3  H N N 118 
CYS   HG   H N N 119 
CYS   HXT  H N N 120 
EDO   C1   C N N 121 
EDO   O1   O N N 122 
EDO   C2   C N N 123 
EDO   O2   O N N 124 
EDO   H11  H N N 125 
EDO   H12  H N N 126 
EDO   HO1  H N N 127 
EDO   H21  H N N 128 
EDO   H22  H N N 129 
EDO   HO2  H N N 130 
GLN   N    N N N 131 
GLN   CA   C N S 132 
GLN   C    C N N 133 
GLN   O    O N N 134 
GLN   CB   C N N 135 
GLN   CG   C N N 136 
GLN   CD   C N N 137 
GLN   OE1  O N N 138 
GLN   NE2  N N N 139 
GLN   OXT  O N N 140 
GLN   H    H N N 141 
GLN   H2   H N N 142 
GLN   HA   H N N 143 
GLN   HB2  H N N 144 
GLN   HB3  H N N 145 
GLN   HG2  H N N 146 
GLN   HG3  H N N 147 
GLN   HE21 H N N 148 
GLN   HE22 H N N 149 
GLN   HXT  H N N 150 
GLU   N    N N N 151 
GLU   CA   C N S 152 
GLU   C    C N N 153 
GLU   O    O N N 154 
GLU   CB   C N N 155 
GLU   CG   C N N 156 
GLU   CD   C N N 157 
GLU   OE1  O N N 158 
GLU   OE2  O N N 159 
GLU   OXT  O N N 160 
GLU   H    H N N 161 
GLU   H2   H N N 162 
GLU   HA   H N N 163 
GLU   HB2  H N N 164 
GLU   HB3  H N N 165 
GLU   HG2  H N N 166 
GLU   HG3  H N N 167 
GLU   HE2  H N N 168 
GLU   HXT  H N N 169 
GLY   N    N N N 170 
GLY   CA   C N N 171 
GLY   C    C N N 172 
GLY   O    O N N 173 
GLY   OXT  O N N 174 
GLY   H    H N N 175 
GLY   H2   H N N 176 
GLY   HA2  H N N 177 
GLY   HA3  H N N 178 
GLY   HXT  H N N 179 
HIS   N    N N N 180 
HIS   CA   C N S 181 
HIS   C    C N N 182 
HIS   O    O N N 183 
HIS   CB   C N N 184 
HIS   CG   C Y N 185 
HIS   ND1  N Y N 186 
HIS   CD2  C Y N 187 
HIS   CE1  C Y N 188 
HIS   NE2  N Y N 189 
HIS   OXT  O N N 190 
HIS   H    H N N 191 
HIS   H2   H N N 192 
HIS   HA   H N N 193 
HIS   HB2  H N N 194 
HIS   HB3  H N N 195 
HIS   HD1  H N N 196 
HIS   HD2  H N N 197 
HIS   HE1  H N N 198 
HIS   HE2  H N N 199 
HIS   HXT  H N N 200 
HOH   O    O N N 201 
HOH   H1   H N N 202 
HOH   H2   H N N 203 
ILE   N    N N N 204 
ILE   CA   C N S 205 
ILE   C    C N N 206 
ILE   O    O N N 207 
ILE   CB   C N S 208 
ILE   CG1  C N N 209 
ILE   CG2  C N N 210 
ILE   CD1  C N N 211 
ILE   OXT  O N N 212 
ILE   H    H N N 213 
ILE   H2   H N N 214 
ILE   HA   H N N 215 
ILE   HB   H N N 216 
ILE   HG12 H N N 217 
ILE   HG13 H N N 218 
ILE   HG21 H N N 219 
ILE   HG22 H N N 220 
ILE   HG23 H N N 221 
ILE   HD11 H N N 222 
ILE   HD12 H N N 223 
ILE   HD13 H N N 224 
ILE   HXT  H N N 225 
LEU   N    N N N 226 
LEU   CA   C N S 227 
LEU   C    C N N 228 
LEU   O    O N N 229 
LEU   CB   C N N 230 
LEU   CG   C N N 231 
LEU   CD1  C N N 232 
LEU   CD2  C N N 233 
LEU   OXT  O N N 234 
LEU   H    H N N 235 
LEU   H2   H N N 236 
LEU   HA   H N N 237 
LEU   HB2  H N N 238 
LEU   HB3  H N N 239 
LEU   HG   H N N 240 
LEU   HD11 H N N 241 
LEU   HD12 H N N 242 
LEU   HD13 H N N 243 
LEU   HD21 H N N 244 
LEU   HD22 H N N 245 
LEU   HD23 H N N 246 
LEU   HXT  H N N 247 
LYS   N    N N N 248 
LYS   CA   C N S 249 
LYS   C    C N N 250 
LYS   O    O N N 251 
LYS   CB   C N N 252 
LYS   CG   C N N 253 
LYS   CD   C N N 254 
LYS   CE   C N N 255 
LYS   NZ   N N N 256 
LYS   OXT  O N N 257 
LYS   H    H N N 258 
LYS   H2   H N N 259 
LYS   HA   H N N 260 
LYS   HB2  H N N 261 
LYS   HB3  H N N 262 
LYS   HG2  H N N 263 
LYS   HG3  H N N 264 
LYS   HD2  H N N 265 
LYS   HD3  H N N 266 
LYS   HE2  H N N 267 
LYS   HE3  H N N 268 
LYS   HZ1  H N N 269 
LYS   HZ2  H N N 270 
LYS   HZ3  H N N 271 
LYS   HXT  H N N 272 
MET   N    N N N 273 
MET   CA   C N S 274 
MET   C    C N N 275 
MET   O    O N N 276 
MET   CB   C N N 277 
MET   CG   C N N 278 
MET   SD   S N N 279 
MET   CE   C N N 280 
MET   OXT  O N N 281 
MET   H    H N N 282 
MET   H2   H N N 283 
MET   HA   H N N 284 
MET   HB2  H N N 285 
MET   HB3  H N N 286 
MET   HG2  H N N 287 
MET   HG3  H N N 288 
MET   HE1  H N N 289 
MET   HE2  H N N 290 
MET   HE3  H N N 291 
MET   HXT  H N N 292 
PHE   N    N N N 293 
PHE   CA   C N S 294 
PHE   C    C N N 295 
PHE   O    O N N 296 
PHE   CB   C N N 297 
PHE   CG   C Y N 298 
PHE   CD1  C Y N 299 
PHE   CD2  C Y N 300 
PHE   CE1  C Y N 301 
PHE   CE2  C Y N 302 
PHE   CZ   C Y N 303 
PHE   OXT  O N N 304 
PHE   H    H N N 305 
PHE   H2   H N N 306 
PHE   HA   H N N 307 
PHE   HB2  H N N 308 
PHE   HB3  H N N 309 
PHE   HD1  H N N 310 
PHE   HD2  H N N 311 
PHE   HE1  H N N 312 
PHE   HE2  H N N 313 
PHE   HZ   H N N 314 
PHE   HXT  H N N 315 
PRO   N    N N N 316 
PRO   CA   C N S 317 
PRO   C    C N N 318 
PRO   O    O N N 319 
PRO   CB   C N N 320 
PRO   CG   C N N 321 
PRO   CD   C N N 322 
PRO   OXT  O N N 323 
PRO   H    H N N 324 
PRO   HA   H N N 325 
PRO   HB2  H N N 326 
PRO   HB3  H N N 327 
PRO   HG2  H N N 328 
PRO   HG3  H N N 329 
PRO   HD2  H N N 330 
PRO   HD3  H N N 331 
PRO   HXT  H N N 332 
SER   N    N N N 333 
SER   CA   C N S 334 
SER   C    C N N 335 
SER   O    O N N 336 
SER   CB   C N N 337 
SER   OG   O N N 338 
SER   OXT  O N N 339 
SER   H    H N N 340 
SER   H2   H N N 341 
SER   HA   H N N 342 
SER   HB2  H N N 343 
SER   HB3  H N N 344 
SER   HG   H N N 345 
SER   HXT  H N N 346 
SO4   S    S N N 347 
SO4   O1   O N N 348 
SO4   O2   O N N 349 
SO4   O3   O N N 350 
SO4   O4   O N N 351 
THR   N    N N N 352 
THR   CA   C N S 353 
THR   C    C N N 354 
THR   O    O N N 355 
THR   CB   C N R 356 
THR   OG1  O N N 357 
THR   CG2  C N N 358 
THR   OXT  O N N 359 
THR   H    H N N 360 
THR   H2   H N N 361 
THR   HA   H N N 362 
THR   HB   H N N 363 
THR   HG1  H N N 364 
THR   HG21 H N N 365 
THR   HG22 H N N 366 
THR   HG23 H N N 367 
THR   HXT  H N N 368 
TRP   N    N N N 369 
TRP   CA   C N S 370 
TRP   C    C N N 371 
TRP   O    O N N 372 
TRP   CB   C N N 373 
TRP   CG   C Y N 374 
TRP   CD1  C Y N 375 
TRP   CD2  C Y N 376 
TRP   NE1  N Y N 377 
TRP   CE2  C Y N 378 
TRP   CE3  C Y N 379 
TRP   CZ2  C Y N 380 
TRP   CZ3  C Y N 381 
TRP   CH2  C Y N 382 
TRP   OXT  O N N 383 
TRP   H    H N N 384 
TRP   H2   H N N 385 
TRP   HA   H N N 386 
TRP   HB2  H N N 387 
TRP   HB3  H N N 388 
TRP   HD1  H N N 389 
TRP   HE1  H N N 390 
TRP   HE3  H N N 391 
TRP   HZ2  H N N 392 
TRP   HZ3  H N N 393 
TRP   HH2  H N N 394 
TRP   HXT  H N N 395 
TYR   N    N N N 396 
TYR   CA   C N S 397 
TYR   C    C N N 398 
TYR   O    O N N 399 
TYR   CB   C N N 400 
TYR   CG   C Y N 401 
TYR   CD1  C Y N 402 
TYR   CD2  C Y N 403 
TYR   CE1  C Y N 404 
TYR   CE2  C Y N 405 
TYR   CZ   C Y N 406 
TYR   OH   O N N 407 
TYR   OXT  O N N 408 
TYR   H    H N N 409 
TYR   H2   H N N 410 
TYR   HA   H N N 411 
TYR   HB2  H N N 412 
TYR   HB3  H N N 413 
TYR   HD1  H N N 414 
TYR   HD2  H N N 415 
TYR   HE1  H N N 416 
TYR   HE2  H N N 417 
TYR   HH   H N N 418 
TYR   HXT  H N N 419 
VAL   N    N N N 420 
VAL   CA   C N S 421 
VAL   C    C N N 422 
VAL   O    O N N 423 
VAL   CB   C N N 424 
VAL   CG1  C N N 425 
VAL   CG2  C N N 426 
VAL   OXT  O N N 427 
VAL   H    H N N 428 
VAL   H2   H N N 429 
VAL   HA   H N N 430 
VAL   HB   H N N 431 
VAL   HG11 H N N 432 
VAL   HG12 H N N 433 
VAL   HG13 H N N 434 
VAL   HG21 H N N 435 
VAL   HG22 H N N 436 
VAL   HG23 H N N 437 
VAL   HXT  H N N 438 
# 
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 
A1BF0 C1  C2   sing N N 1   
A1BF0 C2  C3   sing N N 2   
A1BF0 C3  O1   doub N N 3   
A1BF0 C3  N1   sing N N 4   
A1BF0 N1  C4   sing N N 5   
A1BF0 C4  C5   sing N N 6   
A1BF0 C5  C6   sing N N 7   
A1BF0 C6  C7   sing N N 8   
A1BF0 C7  C8   sing N N 9   
A1BF0 C7  N2   sing N N 10  
A1BF0 N2  S1   sing N N 11  
A1BF0 S1  O2   doub N N 12  
A1BF0 S1  O3   doub N N 13  
A1BF0 S1  C9   sing N N 14  
A1BF0 N1  C8   sing N N 15  
A1BF0 C4  H7   sing N N 16  
A1BF0 C4  H6   sing N N 17  
A1BF0 C5  H8   sing N N 18  
A1BF0 C5  H9   sing N N 19  
A1BF0 C6  H10  sing N N 20  
A1BF0 C6  H11  sing N N 21  
A1BF0 C7  H12  sing N N 22  
A1BF0 C8  H13  sing N N 23  
A1BF0 C8  H14  sing N N 24  
A1BF0 C1  H1   sing N N 25  
A1BF0 C1  H3   sing N N 26  
A1BF0 C1  H2   sing N N 27  
A1BF0 C2  H5   sing N N 28  
A1BF0 C2  H4   sing N N 29  
A1BF0 C9  H17  sing N N 30  
A1BF0 C9  H18  sing N N 31  
A1BF0 C9  H16  sing N N 32  
A1BF0 N2  H15  sing N N 33  
ALA   N   CA   sing N N 34  
ALA   N   H    sing N N 35  
ALA   N   H2   sing N N 36  
ALA   CA  C    sing N N 37  
ALA   CA  CB   sing N N 38  
ALA   CA  HA   sing N N 39  
ALA   C   O    doub N N 40  
ALA   C   OXT  sing N N 41  
ALA   CB  HB1  sing N N 42  
ALA   CB  HB2  sing N N 43  
ALA   CB  HB3  sing N N 44  
ALA   OXT HXT  sing N N 45  
ARG   N   CA   sing N N 46  
ARG   N   H    sing N N 47  
ARG   N   H2   sing N N 48  
ARG   CA  C    sing N N 49  
ARG   CA  CB   sing N N 50  
ARG   CA  HA   sing N N 51  
ARG   C   O    doub N N 52  
ARG   C   OXT  sing N N 53  
ARG   CB  CG   sing N N 54  
ARG   CB  HB2  sing N N 55  
ARG   CB  HB3  sing N N 56  
ARG   CG  CD   sing N N 57  
ARG   CG  HG2  sing N N 58  
ARG   CG  HG3  sing N N 59  
ARG   CD  NE   sing N N 60  
ARG   CD  HD2  sing N N 61  
ARG   CD  HD3  sing N N 62  
ARG   NE  CZ   sing N N 63  
ARG   NE  HE   sing N N 64  
ARG   CZ  NH1  sing N N 65  
ARG   CZ  NH2  doub N N 66  
ARG   NH1 HH11 sing N N 67  
ARG   NH1 HH12 sing N N 68  
ARG   NH2 HH21 sing N N 69  
ARG   NH2 HH22 sing N N 70  
ARG   OXT HXT  sing N N 71  
ASN   N   CA   sing N N 72  
ASN   N   H    sing N N 73  
ASN   N   H2   sing N N 74  
ASN   CA  C    sing N N 75  
ASN   CA  CB   sing N N 76  
ASN   CA  HA   sing N N 77  
ASN   C   O    doub N N 78  
ASN   C   OXT  sing N N 79  
ASN   CB  CG   sing N N 80  
ASN   CB  HB2  sing N N 81  
ASN   CB  HB3  sing N N 82  
ASN   CG  OD1  doub N N 83  
ASN   CG  ND2  sing N N 84  
ASN   ND2 HD21 sing N N 85  
ASN   ND2 HD22 sing N N 86  
ASN   OXT HXT  sing N N 87  
ASP   N   CA   sing N N 88  
ASP   N   H    sing N N 89  
ASP   N   H2   sing N N 90  
ASP   CA  C    sing N N 91  
ASP   CA  CB   sing N N 92  
ASP   CA  HA   sing N N 93  
ASP   C   O    doub N N 94  
ASP   C   OXT  sing N N 95  
ASP   CB  CG   sing N N 96  
ASP   CB  HB2  sing N N 97  
ASP   CB  HB3  sing N N 98  
ASP   CG  OD1  doub N N 99  
ASP   CG  OD2  sing N N 100 
ASP   OD2 HD2  sing N N 101 
ASP   OXT HXT  sing N N 102 
CYS   N   CA   sing N N 103 
CYS   N   H    sing N N 104 
CYS   N   H2   sing N N 105 
CYS   CA  C    sing N N 106 
CYS   CA  CB   sing N N 107 
CYS   CA  HA   sing N N 108 
CYS   C   O    doub N N 109 
CYS   C   OXT  sing N N 110 
CYS   CB  SG   sing N N 111 
CYS   CB  HB2  sing N N 112 
CYS   CB  HB3  sing N N 113 
CYS   SG  HG   sing N N 114 
CYS   OXT HXT  sing N N 115 
EDO   C1  O1   sing N N 116 
EDO   C1  C2   sing N N 117 
EDO   C1  H11  sing N N 118 
EDO   C1  H12  sing N N 119 
EDO   O1  HO1  sing N N 120 
EDO   C2  O2   sing N N 121 
EDO   C2  H21  sing N N 122 
EDO   C2  H22  sing N N 123 
EDO   O2  HO2  sing N N 124 
GLN   N   CA   sing N N 125 
GLN   N   H    sing N N 126 
GLN   N   H2   sing N N 127 
GLN   CA  C    sing N N 128 
GLN   CA  CB   sing N N 129 
GLN   CA  HA   sing N N 130 
GLN   C   O    doub N N 131 
GLN   C   OXT  sing N N 132 
GLN   CB  CG   sing N N 133 
GLN   CB  HB2  sing N N 134 
GLN   CB  HB3  sing N N 135 
GLN   CG  CD   sing N N 136 
GLN   CG  HG2  sing N N 137 
GLN   CG  HG3  sing N N 138 
GLN   CD  OE1  doub N N 139 
GLN   CD  NE2  sing N N 140 
GLN   NE2 HE21 sing N N 141 
GLN   NE2 HE22 sing N N 142 
GLN   OXT HXT  sing N N 143 
GLU   N   CA   sing N N 144 
GLU   N   H    sing N N 145 
GLU   N   H2   sing N N 146 
GLU   CA  C    sing N N 147 
GLU   CA  CB   sing N N 148 
GLU   CA  HA   sing N N 149 
GLU   C   O    doub N N 150 
GLU   C   OXT  sing N N 151 
GLU   CB  CG   sing N N 152 
GLU   CB  HB2  sing N N 153 
GLU   CB  HB3  sing N N 154 
GLU   CG  CD   sing N N 155 
GLU   CG  HG2  sing N N 156 
GLU   CG  HG3  sing N N 157 
GLU   CD  OE1  doub N N 158 
GLU   CD  OE2  sing N N 159 
GLU   OE2 HE2  sing N N 160 
GLU   OXT HXT  sing N N 161 
GLY   N   CA   sing N N 162 
GLY   N   H    sing N N 163 
GLY   N   H2   sing N N 164 
GLY   CA  C    sing N N 165 
GLY   CA  HA2  sing N N 166 
GLY   CA  HA3  sing N N 167 
GLY   C   O    doub N N 168 
GLY   C   OXT  sing N N 169 
GLY   OXT HXT  sing N N 170 
HIS   N   CA   sing N N 171 
HIS   N   H    sing N N 172 
HIS   N   H2   sing N N 173 
HIS   CA  C    sing N N 174 
HIS   CA  CB   sing N N 175 
HIS   CA  HA   sing N N 176 
HIS   C   O    doub N N 177 
HIS   C   OXT  sing N N 178 
HIS   CB  CG   sing N N 179 
HIS   CB  HB2  sing N N 180 
HIS   CB  HB3  sing N N 181 
HIS   CG  ND1  sing Y N 182 
HIS   CG  CD2  doub Y N 183 
HIS   ND1 CE1  doub Y N 184 
HIS   ND1 HD1  sing N N 185 
HIS   CD2 NE2  sing Y N 186 
HIS   CD2 HD2  sing N N 187 
HIS   CE1 NE2  sing Y N 188 
HIS   CE1 HE1  sing N N 189 
HIS   NE2 HE2  sing N N 190 
HIS   OXT HXT  sing N N 191 
HOH   O   H1   sing N N 192 
HOH   O   H2   sing N N 193 
ILE   N   CA   sing N N 194 
ILE   N   H    sing N N 195 
ILE   N   H2   sing N N 196 
ILE   CA  C    sing N N 197 
ILE   CA  CB   sing N N 198 
ILE   CA  HA   sing N N 199 
ILE   C   O    doub N N 200 
ILE   C   OXT  sing N N 201 
ILE   CB  CG1  sing N N 202 
ILE   CB  CG2  sing N N 203 
ILE   CB  HB   sing N N 204 
ILE   CG1 CD1  sing N N 205 
ILE   CG1 HG12 sing N N 206 
ILE   CG1 HG13 sing N N 207 
ILE   CG2 HG21 sing N N 208 
ILE   CG2 HG22 sing N N 209 
ILE   CG2 HG23 sing N N 210 
ILE   CD1 HD11 sing N N 211 
ILE   CD1 HD12 sing N N 212 
ILE   CD1 HD13 sing N N 213 
ILE   OXT HXT  sing N N 214 
LEU   N   CA   sing N N 215 
LEU   N   H    sing N N 216 
LEU   N   H2   sing N N 217 
LEU   CA  C    sing N N 218 
LEU   CA  CB   sing N N 219 
LEU   CA  HA   sing N N 220 
LEU   C   O    doub N N 221 
LEU   C   OXT  sing N N 222 
LEU   CB  CG   sing N N 223 
LEU   CB  HB2  sing N N 224 
LEU   CB  HB3  sing N N 225 
LEU   CG  CD1  sing N N 226 
LEU   CG  CD2  sing N N 227 
LEU   CG  HG   sing N N 228 
LEU   CD1 HD11 sing N N 229 
LEU   CD1 HD12 sing N N 230 
LEU   CD1 HD13 sing N N 231 
LEU   CD2 HD21 sing N N 232 
LEU   CD2 HD22 sing N N 233 
LEU   CD2 HD23 sing N N 234 
LEU   OXT HXT  sing N N 235 
LYS   N   CA   sing N N 236 
LYS   N   H    sing N N 237 
LYS   N   H2   sing N N 238 
LYS   CA  C    sing N N 239 
LYS   CA  CB   sing N N 240 
LYS   CA  HA   sing N N 241 
LYS   C   O    doub N N 242 
LYS   C   OXT  sing N N 243 
LYS   CB  CG   sing N N 244 
LYS   CB  HB2  sing N N 245 
LYS   CB  HB3  sing N N 246 
LYS   CG  CD   sing N N 247 
LYS   CG  HG2  sing N N 248 
LYS   CG  HG3  sing N N 249 
LYS   CD  CE   sing N N 250 
LYS   CD  HD2  sing N N 251 
LYS   CD  HD3  sing N N 252 
LYS   CE  NZ   sing N N 253 
LYS   CE  HE2  sing N N 254 
LYS   CE  HE3  sing N N 255 
LYS   NZ  HZ1  sing N N 256 
LYS   NZ  HZ2  sing N N 257 
LYS   NZ  HZ3  sing N N 258 
LYS   OXT HXT  sing N N 259 
MET   N   CA   sing N N 260 
MET   N   H    sing N N 261 
MET   N   H2   sing N N 262 
MET   CA  C    sing N N 263 
MET   CA  CB   sing N N 264 
MET   CA  HA   sing N N 265 
MET   C   O    doub N N 266 
MET   C   OXT  sing N N 267 
MET   CB  CG   sing N N 268 
MET   CB  HB2  sing N N 269 
MET   CB  HB3  sing N N 270 
MET   CG  SD   sing N N 271 
MET   CG  HG2  sing N N 272 
MET   CG  HG3  sing N N 273 
MET   SD  CE   sing N N 274 
MET   CE  HE1  sing N N 275 
MET   CE  HE2  sing N N 276 
MET   CE  HE3  sing N N 277 
MET   OXT HXT  sing N N 278 
PHE   N   CA   sing N N 279 
PHE   N   H    sing N N 280 
PHE   N   H2   sing N N 281 
PHE   CA  C    sing N N 282 
PHE   CA  CB   sing N N 283 
PHE   CA  HA   sing N N 284 
PHE   C   O    doub N N 285 
PHE   C   OXT  sing N N 286 
PHE   CB  CG   sing N N 287 
PHE   CB  HB2  sing N N 288 
PHE   CB  HB3  sing N N 289 
PHE   CG  CD1  doub Y N 290 
PHE   CG  CD2  sing Y N 291 
PHE   CD1 CE1  sing Y N 292 
PHE   CD1 HD1  sing N N 293 
PHE   CD2 CE2  doub Y N 294 
PHE   CD2 HD2  sing N N 295 
PHE   CE1 CZ   doub Y N 296 
PHE   CE1 HE1  sing N N 297 
PHE   CE2 CZ   sing Y N 298 
PHE   CE2 HE2  sing N N 299 
PHE   CZ  HZ   sing N N 300 
PHE   OXT HXT  sing N N 301 
PRO   N   CA   sing N N 302 
PRO   N   CD   sing N N 303 
PRO   N   H    sing N N 304 
PRO   CA  C    sing N N 305 
PRO   CA  CB   sing N N 306 
PRO   CA  HA   sing N N 307 
PRO   C   O    doub N N 308 
PRO   C   OXT  sing N N 309 
PRO   CB  CG   sing N N 310 
PRO   CB  HB2  sing N N 311 
PRO   CB  HB3  sing N N 312 
PRO   CG  CD   sing N N 313 
PRO   CG  HG2  sing N N 314 
PRO   CG  HG3  sing N N 315 
PRO   CD  HD2  sing N N 316 
PRO   CD  HD3  sing N N 317 
PRO   OXT HXT  sing N N 318 
SER   N   CA   sing N N 319 
SER   N   H    sing N N 320 
SER   N   H2   sing N N 321 
SER   CA  C    sing N N 322 
SER   CA  CB   sing N N 323 
SER   CA  HA   sing N N 324 
SER   C   O    doub N N 325 
SER   C   OXT  sing N N 326 
SER   CB  OG   sing N N 327 
SER   CB  HB2  sing N N 328 
SER   CB  HB3  sing N N 329 
SER   OG  HG   sing N N 330 
SER   OXT HXT  sing N N 331 
SO4   S   O1   doub N N 332 
SO4   S   O2   doub N N 333 
SO4   S   O3   sing N N 334 
SO4   S   O4   sing N N 335 
THR   N   CA   sing N N 336 
THR   N   H    sing N N 337 
THR   N   H2   sing N N 338 
THR   CA  C    sing N N 339 
THR   CA  CB   sing N N 340 
THR   CA  HA   sing N N 341 
THR   C   O    doub N N 342 
THR   C   OXT  sing N N 343 
THR   CB  OG1  sing N N 344 
THR   CB  CG2  sing N N 345 
THR   CB  HB   sing N N 346 
THR   OG1 HG1  sing N N 347 
THR   CG2 HG21 sing N N 348 
THR   CG2 HG22 sing N N 349 
THR   CG2 HG23 sing N N 350 
THR   OXT HXT  sing N N 351 
TRP   N   CA   sing N N 352 
TRP   N   H    sing N N 353 
TRP   N   H2   sing N N 354 
TRP   CA  C    sing N N 355 
TRP   CA  CB   sing N N 356 
TRP   CA  HA   sing N N 357 
TRP   C   O    doub N N 358 
TRP   C   OXT  sing N N 359 
TRP   CB  CG   sing N N 360 
TRP   CB  HB2  sing N N 361 
TRP   CB  HB3  sing N N 362 
TRP   CG  CD1  doub Y N 363 
TRP   CG  CD2  sing Y N 364 
TRP   CD1 NE1  sing Y N 365 
TRP   CD1 HD1  sing N N 366 
TRP   CD2 CE2  doub Y N 367 
TRP   CD2 CE3  sing Y N 368 
TRP   NE1 CE2  sing Y N 369 
TRP   NE1 HE1  sing N N 370 
TRP   CE2 CZ2  sing Y N 371 
TRP   CE3 CZ3  doub Y N 372 
TRP   CE3 HE3  sing N N 373 
TRP   CZ2 CH2  doub Y N 374 
TRP   CZ2 HZ2  sing N N 375 
TRP   CZ3 CH2  sing Y N 376 
TRP   CZ3 HZ3  sing N N 377 
TRP   CH2 HH2  sing N N 378 
TRP   OXT HXT  sing N N 379 
TYR   N   CA   sing N N 380 
TYR   N   H    sing N N 381 
TYR   N   H2   sing N N 382 
TYR   CA  C    sing N N 383 
TYR   CA  CB   sing N N 384 
TYR   CA  HA   sing N N 385 
TYR   C   O    doub N N 386 
TYR   C   OXT  sing N N 387 
TYR   CB  CG   sing N N 388 
TYR   CB  HB2  sing N N 389 
TYR   CB  HB3  sing N N 390 
TYR   CG  CD1  doub Y N 391 
TYR   CG  CD2  sing Y N 392 
TYR   CD1 CE1  sing Y N 393 
TYR   CD1 HD1  sing N N 394 
TYR   CD2 CE2  doub Y N 395 
TYR   CD2 HD2  sing N N 396 
TYR   CE1 CZ   doub Y N 397 
TYR   CE1 HE1  sing N N 398 
TYR   CE2 CZ   sing Y N 399 
TYR   CE2 HE2  sing N N 400 
TYR   CZ  OH   sing N N 401 
TYR   OH  HH   sing N N 402 
TYR   OXT HXT  sing N N 403 
VAL   N   CA   sing N N 404 
VAL   N   H    sing N N 405 
VAL   N   H2   sing N N 406 
VAL   CA  C    sing N N 407 
VAL   CA  CB   sing N N 408 
VAL   CA  HA   sing N N 409 
VAL   C   O    doub N N 410 
VAL   C   OXT  sing N N 411 
VAL   CB  CG1  sing N N 412 
VAL   CB  CG2  sing N N 413 
VAL   CB  HB   sing N N 414 
VAL   CG1 HG11 sing N N 415 
VAL   CG1 HG12 sing N N 416 
VAL   CG1 HG13 sing N N 417 
VAL   CG2 HG21 sing N N 418 
VAL   CG2 HG22 sing N N 419 
VAL   CG2 HG23 sing N N 420 
VAL   OXT HXT  sing N N 421 
# 
_pdbx_audit_support.ordinal                1 
_pdbx_audit_support.funding_organization   'European Union (EU)' 
_pdbx_audit_support.grant_number           875510 
_pdbx_audit_support.country                'European Union' 
# 
_pdbx_deposit_group.group_id            G_1002320 
_pdbx_deposit_group.group_description   
;PRYSPRY domain of murine TRIM21 screened against the DSI-poised Fragment Library by X-ray Crystallography at the XChem facility of Diamon Light Source
;
_pdbx_deposit_group.group_title         'PanDDA analysis group deposition' 
_pdbx_deposit_group.group_type          'changed state' 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2VOK 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    7HO3 
_atom_sites.fract_transf_matrix[1][1]   0.010479 
_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]   0.010479 
_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]   0.021890 
_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   ? -13.254 -12.873 -9.855  1.00 66.58 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.787 -13.467 -11.163 1.00 59.67 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.678 -12.595 -11.770 1.00 59.72 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.626 -11.374 -11.463 1.00 65.73 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -13.969 -13.658 -12.140 1.00 52.39 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.507 -12.396 -12.739 1.00 45.07 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -13.908 -11.783 -13.821 1.00 43.61 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.594 -11.644 -12.440 1.00 43.68 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.579 -10.692 -14.142 1.00 44.91 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.626 -10.573 -13.311 1.00 35.62 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -10.857 -13.189 -12.636 1.00 52.70 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.764  -12.509 -13.382 1.00 55.10 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -9.986  -12.660 -14.896 1.00 46.95 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -8.992  -12.919 -15.598 1.00 50.34 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.406  -13.055 -12.897 1.00 65.02 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.181  -12.858 -11.429 1.00 75.99 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -7.980  -11.603 -10.866 1.00 79.69 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -8.133  -13.738 -10.403 1.00 81.42 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -7.817  -11.723 -9.564  1.00 79.23 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -7.903  -13.024 -9.255  1.00 83.27 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.236 -12.481 -15.376 1.00 38.42 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.672 -12.669 -16.796 1.00 32.00 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.645 -11.340 -17.567 1.00 29.37 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.790 -11.358 -18.814 1.00 27.78 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.091 -13.271 -16.873 1.00 30.71 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.207 -14.636 -16.282 1.00 30.63 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.296 -15.656 -16.564 1.00 28.92 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.139 -15.180 -15.470 1.00 28.36 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.662 -16.754 -15.929 1.00 34.52 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.786 -16.483 -15.252 1.00 33.71 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.487 -10.214 -16.858 1.00 31.41 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.602 -8.835  -17.414 1.00 33.85 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.704 -8.640  -18.646 1.00 32.52 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.153 -7.945  -19.589 1.00 33.81 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.300 -7.768  -16.337 1.00 41.20 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.092 -7.919  -15.081 1.00 49.82 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.593 -8.588  -13.965 1.00 57.15 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.337 -7.495  -14.751 1.00 56.10 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.505 -8.573  -13.003 1.00 59.29 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.591 -7.909  -13.462 1.00 54.78 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.514  -9.267  -18.696 1.00 29.77 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.544  -9.133  -19.818 1.00 30.16 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -9.054  -9.753  -21.125 1.00 28.01 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.444  -9.490  -22.177 1.00 29.05 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.158  -9.690  -19.457 1.00 35.65 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.132  -11.136 -19.104 1.00 36.37 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.486  -12.078 -19.894 1.00 42.19 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.636  -11.808 -18.045 1.00 38.12 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.606  -13.266 -19.348 1.00 37.55 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.304  -13.134 -18.211 1.00 44.83 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.120 -10.562 -21.120 1.00 23.53 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.741 -11.121 -22.359 1.00 20.97 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.866 -10.214 -22.828 1.00 19.15 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.688 -10.663 -23.612 1.00 16.74 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.285 -12.521 -22.100 1.00 19.70 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.218 -13.468 -21.649 1.00 19.87 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.199  -13.840 -22.515 1.00 20.74 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.057 -14.140 -20.488 1.00 21.27 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.418  -14.681 -21.867 1.00 19.59 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.891  -14.889 -20.629 1.00 23.04 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -11.870 -8.965  -22.367 1.00 18.94 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -12.936 -7.983  -22.680 1.00 20.94 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.027 -7.837  -24.197 1.00 19.94 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -11.985 -7.729  -24.917 1.00 23.03 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.626 -6.614  -22.058 1.00 27.18 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.676 -5.510  -22.299 1.00 32.55 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.307 -5.730  -21.443 1.00 43.63 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -14.944 -5.065  -19.822 1.00 37.74 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.250 -7.821  -24.718 1.00 17.09 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.563 -7.610  -26.148 1.00 18.44 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.563 -6.443  -26.233 1.00 18.78 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.396 -6.272  -25.322 1.00 19.22 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.080 -8.884  -26.843 1.00 19.70 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -13.972 -9.914  -26.973 1.00 22.45 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.256 -9.505  -26.126 1.00 20.99 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.475 -5.688  -27.304 1.00 18.84 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.347 -4.509  -27.543 1.00 18.14 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.585 -4.972  -28.318 1.00 18.25 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.476 -5.378  -29.454 1.00 21.67 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.598 -3.434  -28.318 1.00 19.30 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.373 -2.166  -28.512 1.00 24.28 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.516 -1.231  -27.497 1.00 28.60 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.047 -1.686  -29.584 1.00 26.69 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.234 -0.205  -27.958 1.00 24.86 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.585 -0.474  -29.231 1.00 30.59 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.707 -5.118  -27.626 1.00 14.75 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -19.944 -5.652  -28.242 1.00 15.73 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.775 -4.459  -28.781 1.00 15.13 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.797 -3.430  -28.139 1.00 14.72 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.742 -6.475  -27.211 1.00 15.47 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -19.959 -7.707  -26.726 1.00 16.79 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.081 -6.835  -27.826 1.00 14.88 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.418 -8.624  -27.800 1.00 16.04 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.358 -4.636  -29.937 1.00 14.34 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.335 -3.680  -30.509 1.00 15.37 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.593 -4.450  -30.881 1.00 15.20 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.566 -5.685  -31.184 1.00 17.41 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.745 -2.921  -31.706 1.00 17.46 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.406 -3.819  -32.739 1.00 19.43 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.561 -2.054  -31.331 1.00 19.84 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.733 -3.748  -30.820 1.00 14.45 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -26.013 -4.404  -31.142 1.00 15.07 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.307 -4.401  -32.639 1.00 13.36 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -26.031 -3.364  -33.315 1.00 16.14 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.098 -3.687  -30.360 1.00 14.76 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -26.894 -3.715  -28.845 1.00 15.18 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.916 -2.827  -28.125 1.00 17.10 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -26.973 -5.154  -28.306 1.00 16.47 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -26.919 -5.430  -33.137 1.00 13.56 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.294 -5.616  -34.549 1.00 13.82 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.786 -5.223  -34.733 1.00 15.11 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.658 -6.024  -34.427 1.00 14.49 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -26.977 -7.027  -35.056 1.00 14.56 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.311 -7.323  -36.507 1.00 20.56 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -27.937 -6.439  -37.139 1.00 17.92 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -26.985 -8.431  -36.990 1.00 19.05 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -29.011 -4.000  -35.239 0.25 15.67 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -29.026 -4.009  -35.239 0.25 16.23 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.351 -3.398  -35.507 0.25 16.67 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.390 -3.436  -35.418 0.25 17.51 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.242 -4.371  -36.271 0.25 15.74 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.254 -4.347  -36.291 0.25 16.30 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.456 -4.394  -36.008 0.25 15.32 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.475 -4.319  -36.109 0.25 15.85 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.237 -2.137  -36.378 0.25 17.29 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.320 -2.036  -36.048 0.25 19.23 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.172 -1.152  -35.925 0.25 19.53 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.773 -0.959  -35.123 0.25 21.85 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.243 0.200   -36.627 0.25 19.93 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.347 -0.535  -35.461 0.25 25.47 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.704 1.246   -35.777 0.25 19.17 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.234 0.396   -36.585 0.25 27.26 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.417 1.835   -34.837 0.25 18.22 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.708 0.120   -37.782 0.25 29.21 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.679 1.491   -34.692 0.25 20.01 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.210 -1.072  -38.059 0.25 31.44 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.887 2.762   -34.065 0.25 18.92 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.677 1.061   -38.707 0.25 30.90 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.667 -5.106  -37.223 1.00 15.83 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.451 -5.957  -38.137 1.00 17.43 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.138 -7.115  -37.403 1.00 15.44 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.138 -7.627  -37.892 1.00 16.58 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.592 -6.390  -39.334 1.00 21.38 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.331 -5.238  -40.282 1.00 27.95 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.029 -4.223  -40.265 1.00 35.14 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.318 -5.394  -41.116 1.00 39.25 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.581 -7.527  -36.245 1.00 13.90 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.116 -8.633  -35.450 1.00 13.27 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.170 -8.147  -34.449 1.00 12.25 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.812 -8.972  -33.824 1.00 12.76 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.009 -9.397  -34.691 1.00 12.56 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.445 -8.577  -33.660 1.00 13.12 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -29.983 -9.952  -35.676 1.00 14.10 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.260 -6.844  -34.232 1.00 12.26 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.096 -6.304  -33.123 1.00 12.16 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.581 -6.497  -33.388 1.00 12.79 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -36.053 -6.223  -34.506 1.00 13.02 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.780 -4.845  -32.964 1.00 12.36 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.339 -6.828  -32.371 1.00 11.68 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.796 -6.607  -32.376 1.00 11.83 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -38.030 -5.175  -32.863 1.00 11.22 ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.344 -4.208  -32.489 1.00 11.24 ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.334 -6.929  -30.980 1.00 12.22 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.812 -6.670  -30.881 1.00 14.98 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.218 -5.530  -30.740 1.00 15.06 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.567 -7.719  -30.944 1.00 17.94 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.116 -5.013  -33.602 1.00 11.69 ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.466 -3.745  -34.292 1.00 12.36 ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -39.862 -2.641  -33.311 1.00 12.26 ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -39.919 -1.521  -33.770 1.00 12.79 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.579 -3.956  -35.292 1.00 14.37 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.721 -4.421  -34.581 1.00 18.47 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.071 -2.906  -32.023 1.00 11.35 ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.360 -1.868  -31.008 1.00 12.20 ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.102 -1.372  -30.328 1.00 12.53 ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.220 -0.416  -29.546 1.00 12.59 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.343 -2.379  -30.001 1.00 12.21 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.738 -2.504  -30.538 1.00 12.79 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.127 -3.120  -31.693 1.00 14.67 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -43.921 -2.049  -29.876 1.00 13.46 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.507 -3.029  -31.811 1.00 17.94 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -45.002 -2.441  -30.684 1.00 13.97 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.158 -1.351  -28.707 1.00 13.92 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.326 -2.114  -30.344 1.00 16.80 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.477 -1.052  -28.365 1.00 14.82 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.524 -1.475  -29.157 1.00 16.64 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -37.918 -1.961  -30.631 1.00 12.69 ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.709 -1.566  -29.884 1.00 12.70 ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.087 -0.320  -30.512 1.00 12.12 ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.100 -0.133  -31.719 1.00 13.07 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.679 -2.704  -29.840 1.00 11.35 ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.138 -3.946  -29.121 1.00 12.89 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.035 -5.008  -29.056 1.00 13.11 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.617 -3.662  -27.717 1.00 13.99 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.500 0.484   -29.634 1.00 11.74 ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.699 1.675   -30.006 1.00 12.73 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.268 1.423   -29.565 1.00 12.62 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -33.004 1.359   -28.361 1.00 13.20 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.263 2.929   -29.388 1.00 13.50 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.728 3.196   -29.786 1.00 13.34 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.411 4.151   -29.769 1.00 14.78 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.395 4.292   -29.027 1.00 14.35 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.398 1.327   -30.571 1.00 14.83 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -30.937 1.112   -30.359 1.00 15.23 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.253 2.455   -30.526 1.00 16.43 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.512 3.170   -31.579 1.00 17.55 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.405 0.040   -31.307 1.00 16.32 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -30.920 -1.332  -30.907 1.00 18.37 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -28.878 0.034   -31.299 1.00 16.43 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.709 -2.307  -31.880 1.00 22.90 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.370 2.825   -29.615 1.00 15.44 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.684 4.130   -29.648 1.00 16.04 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.745 4.195   -30.879 1.00 15.69 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.379 3.180   -31.483 1.00 15.69 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -27.970 4.333   -28.373 1.00 16.84 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -26.992 3.306   -28.216 1.00 16.43 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.395 5.420   -31.267 1.00 19.49 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.499 5.680   -32.422 1.00 18.71 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.185 4.889   -32.310 1.00 17.13 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.744 4.378   -33.345 1.00 20.37 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.273 7.197   -32.476 1.00 23.10 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.254 7.675   -33.475 1.00 27.77 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.390 9.173   -33.631 1.00 26.48 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.344 9.920   -32.320 1.00 33.35 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.332 11.370  -32.599 1.00 37.01 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.630 4.799   -31.094 1.00 18.26 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.341 4.089   -30.842 1.00 17.82 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.560 2.566   -30.831 1.00 18.01 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.558 1.811   -30.729 1.00 17.35 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.624 4.594   -29.593 1.00 19.05 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.300 4.349   -28.263 1.00 18.84 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.394 3.691   -28.256 1.00 19.52 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.697 4.759   -27.246 1.00 20.68 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.786 2.094   -30.933 1.00 15.31 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.133 0.654   -30.950 1.00 15.28 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.715 0.002   -29.608 1.00 12.94 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.573 -1.247  -29.564 1.00 13.98 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.584 -0.054  -32.206 1.00 18.55 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.175 0.511   -33.496 1.00 21.92 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.762 -0.140  -34.788 1.00 31.11 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.355 -0.484  -34.849 1.00 40.21 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.820 -1.726  -34.731 1.00 55.00 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.562 -2.819  -34.528 1.00 44.33 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.501 -1.867  -34.833 1.00 58.81 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.672 0.747   -28.520 1.00 11.95 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.298 0.224   -27.185 1.00 13.88 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.465 0.200   -26.209 1.00 14.05 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.288 -0.362  -25.115 1.00 13.99 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.120 1.005   -26.592 1.00 14.74 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -21.901 0.892   -27.501 1.00 17.93 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -21.040 -0.307  -27.245 1.00 18.28 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.282 -0.090  -26.010 1.00 19.85 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.545 -1.032  -25.400 1.00 18.94 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.456 -2.223  -25.947 1.00 19.39 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.895 -0.752  -24.288 1.00 20.23 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.627 0.790   -26.509 1.00 12.80 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.799 0.840   -25.613 1.00 12.98 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -29.052 0.453   -26.381 1.00 13.17 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.154 0.672   -27.608 1.00 13.14 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -28.010 2.248   -25.042 1.00 15.32 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.763 2.817   -24.431 1.00 18.56 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -27.119 4.065   -23.663 1.00 22.91 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.278 4.314   -23.309 1.00 25.74 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -26.109 4.852   -23.380 1.00 27.69 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -29.971 -0.191  -25.653 1.00 11.96 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.261 -0.589  -26.254 1.00 11.75 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.360 -0.417  -25.221 1.00 12.36 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.182 -0.805  -24.069 1.00 11.86 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.199 -1.994  -26.840 1.00 11.05 ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.774 -3.088  -25.861 1.00 11.68 ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.535 -2.368  -27.478 1.00 13.02 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.508 0.076   -25.652 1.00 12.98 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.694 0.162   -24.781 1.00 12.38 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -35.935 -0.122  -25.625 1.00 12.30 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -35.904 -0.022  -26.850 1.00 11.67 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.795 1.533   -24.115 1.00 13.74 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -35.101 2.655   -25.086 1.00 15.92 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -34.955 3.983   -24.333 1.00 19.06 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.149 5.089   -25.264 1.00 22.98 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.302 5.644   -25.528 1.00 20.22 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.413 5.209   -24.986 1.00 23.88 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.343 6.658   -26.407 1.00 25.24 ? 38  ARG   B NH2 1 
ATOM   283  N N   . MET   A 1 33  ? -37.025 -0.486  -24.952 0.56 13.85 ? 39  MET   B N   1 
ATOM   284  C CA  . MET   A 1 33  ? -38.302 -0.669  -25.681 0.56 16.14 ? 39  MET   B CA  1 
ATOM   285  C C   . MET   A 1 33  ? -38.943 0.701   -25.889 0.56 15.52 ? 39  MET   B C   1 
ATOM   286  O O   . MET   A 1 33  ? -39.045 1.492   -24.932 0.56 16.34 ? 39  MET   B O   1 
ATOM   287  C CB  . MET   A 1 33  ? -39.324 -1.565  -24.988 0.56 20.33 ? 39  MET   B CB  1 
ATOM   288  C CG  . MET   A 1 33  ? -40.494 -1.818  -25.951 0.56 22.00 ? 39  MET   B CG  1 
ATOM   289  S SD  . MET   A 1 33  ? -41.975 -2.505  -25.236 0.56 27.94 ? 39  MET   B SD  1 
ATOM   290  C CE  . MET   A 1 33  ? -41.753 -2.171  -23.490 0.56 30.63 ? 39  MET   B CE  1 
ATOM   291  N N   . GLY   A 1 34  ? -39.351 0.943   -27.123 1.00 14.03 ? 40  GLY   B N   1 
ATOM   292  C CA  . GLY   A 1 34  ? -40.115 2.140   -27.511 1.00 14.84 ? 40  GLY   B CA  1 
ATOM   293  C C   . GLY   A 1 34  ? -41.566 1.989   -27.120 1.00 14.79 ? 40  GLY   B C   1 
ATOM   294  O O   . GLY   A 1 34  ? -41.998 0.897   -26.750 1.00 14.31 ? 40  GLY   B O   1 
ATOM   295  N N   . ASP   A 1 35  ? -42.293 3.100   -27.260 1.00 16.59 ? 41  ASP   B N   1 
ATOM   296  C CA  . ASP   A 1 35  ? -43.732 3.114   -26.890 1.00 18.73 ? 41  ASP   B CA  1 
ATOM   297  C C   . ASP   A 1 35  ? -44.599 2.524   -28.006 1.00 18.00 ? 41  ASP   B C   1 
ATOM   298  O O   . ASP   A 1 35  ? -45.839 2.341   -27.785 1.00 17.39 ? 41  ASP   B O   1 
ATOM   299  C CB  . ASP   A 1 35  ? -44.209 4.540   -26.611 1.00 24.25 ? 41  ASP   B CB  1 
ATOM   300  C CG  . ASP   A 1 35  ? -43.555 5.201   -25.409 1.00 35.65 ? 41  ASP   B CG  1 
ATOM   301  O OD1 . ASP   A 1 35  ? -43.578 4.611   -24.272 1.00 44.39 ? 41  ASP   B OD1 1 
ATOM   302  O OD2 . ASP   A 1 35  ? -43.104 6.342   -25.609 1.00 48.71 ? 41  ASP   B OD2 1 
ATOM   303  N N   . THR   A 1 36  ? -44.032 2.325   -29.164 1.00 13.84 ? 42  THR   B N   1 
ATOM   304  C CA  . THR   A 1 36  ? -44.781 1.875   -30.377 1.00 14.50 ? 42  THR   B CA  1 
ATOM   305  C C   . THR   A 1 36  ? -43.803 1.185   -31.297 1.00 12.71 ? 42  THR   B C   1 
ATOM   306  O O   . THR   A 1 36  ? -42.530 1.165   -31.056 1.00 12.03 ? 42  THR   B O   1 
ATOM   307  C CB  . THR   A 1 36  ? -45.430 3.071   -31.101 1.00 16.11 ? 42  THR   B CB  1 
ATOM   308  O OG1 . THR   A 1 36  ? -46.283 2.620   -32.140 1.00 22.37 ? 42  THR   B OG1 1 
ATOM   309  C CG2 . THR   A 1 36  ? -44.390 3.877   -31.851 1.00 16.12 ? 42  THR   B CG2 1 
ATOM   310  N N   . HIS   A 1 37  ? -44.291 0.622   -32.379 1.00 14.52 ? 43  HIS   B N   1 
ATOM   311  C CA  . HIS   A 1 37  ? -43.458 0.168   -33.519 1.00 14.12 ? 43  HIS   B CA  1 
ATOM   312  C C   . HIS   A 1 37  ? -42.520 1.265   -33.970 1.00 15.93 ? 43  HIS   B C   1 
ATOM   313  O O   . HIS   A 1 37  ? -42.994 2.425   -34.171 1.00 17.19 ? 43  HIS   B O   1 
ATOM   314  C CB  . HIS   A 1 37  ? -44.406 -0.284  -34.637 1.00 13.32 ? 43  HIS   B CB  1 
ATOM   315  C CG  . HIS   A 1 37  ? -43.777 -0.928  -35.804 1.00 13.89 ? 43  HIS   B CG  1 
ATOM   316  N ND1 . HIS   A 1 37  ? -42.994 -0.269  -36.731 1.00 13.02 ? 43  HIS   B ND1 1 
ATOM   317  C CD2 . HIS   A 1 37  ? -43.931 -2.179  -36.252 1.00 13.50 ? 43  HIS   B CD2 1 
ATOM   318  C CE1 . HIS   A 1 37  ? -42.662 -1.125  -37.679 1.00 13.85 ? 43  HIS   B CE1 1 
ATOM   319  N NE2 . HIS   A 1 37  ? -43.224 -2.327  -37.389 1.00 13.74 ? 43  HIS   B NE2 1 
ATOM   320  N N   . GLN   A 1 38  ? -41.230 0.956   -34.198 1.00 14.04 ? 44  GLN   B N   1 
ATOM   321  C CA  . GLN   A 1 38  ? -40.215 1.983   -34.482 1.00 13.63 ? 44  GLN   B CA  1 
ATOM   322  C C   . GLN   A 1 38  ? -39.985 2.202   -35.983 1.00 16.62 ? 44  GLN   B C   1 
ATOM   323  O O   . GLN   A 1 38  ? -38.943 2.778   -36.380 1.00 16.13 ? 44  GLN   B O   1 
ATOM   324  C CB  . GLN   A 1 38  ? -38.937 1.606   -33.716 1.00 13.99 ? 44  GLN   B CB  1 
ATOM   325  C CG  . GLN   A 1 38  ? -39.087 1.747   -32.237 1.00 14.41 ? 44  GLN   B CG  1 
ATOM   326  C CD  . GLN   A 1 38  ? -39.559 3.094   -31.789 1.00 14.58 ? 44  GLN   B CD  1 
ATOM   327  O OE1 . GLN   A 1 38  ? -40.573 3.246   -31.092 1.00 17.33 ? 44  GLN   B OE1 1 
ATOM   328  N NE2 . GLN   A 1 38  ? -38.935 4.137   -32.290 1.00 13.38 ? 44  GLN   B NE2 1 
ATOM   329  N N   . ASN   A 1 39  ? -40.965 1.860   -36.819 1.00 14.07 ? 45  ASN   B N   1 
ATOM   330  C CA  . ASN   A 1 39  ? -41.006 2.368   -38.227 1.00 12.95 ? 45  ASN   B CA  1 
ATOM   331  C C   . ASN   A 1 39  ? -39.929 1.752   -39.111 1.00 14.01 ? 45  ASN   B C   1 
ATOM   332  O O   . ASN   A 1 39  ? -39.461 2.380   -40.058 1.00 16.51 ? 45  ASN   B O   1 
ATOM   333  C CB  . ASN   A 1 39  ? -41.004 3.907   -38.305 1.00 14.38 ? 45  ASN   B CB  1 
ATOM   334  C CG  . ASN   A 1 39  ? -41.652 4.410   -39.589 1.00 14.71 ? 45  ASN   B CG  1 
ATOM   335  O OD1 . ASN   A 1 39  ? -42.561 3.770   -40.129 1.00 13.29 ? 45  ASN   B OD1 1 
ATOM   336  N ND2 . ASN   A 1 39  ? -41.220 5.576   -40.112 1.00 13.36 ? 45  ASN   B ND2 1 
ATOM   337  N N   . VAL   A 1 40  ? -39.619 0.493   -38.837 1.00 17.32 ? 46  VAL   B N   1 
ATOM   338  C CA  . VAL   A 1 40  ? -38.646 -0.303  -39.625 1.00 17.22 ? 46  VAL   B CA  1 
ATOM   339  C C   . VAL   A 1 40  ? -39.400 -1.370  -40.438 1.00 15.29 ? 46  VAL   B C   1 
ATOM   340  O O   . VAL   A 1 40  ? -40.459 -1.829  -39.985 1.00 15.68 ? 46  VAL   B O   1 
ATOM   341  C CB  . VAL   A 1 40  ? -37.582 -0.938  -38.711 1.00 17.77 ? 46  VAL   B CB  1 
ATOM   342  C CG1 . VAL   A 1 40  ? -36.710 0.123   -38.063 1.00 21.82 ? 46  VAL   B CG1 1 
ATOM   343  C CG2 . VAL   A 1 40  ? -38.171 -1.828  -37.648 1.00 20.34 ? 46  VAL   B CG2 1 
ATOM   344  N N   . SER   A 1 41  ? -38.859 -1.846  -41.570 1.00 17.03 ? 47  SER   B N   1 
ATOM   345  C CA  . SER   A 1 41  ? -39.448 -3.013  -42.245 1.00 17.41 ? 47  SER   B CA  1 
ATOM   346  C C   . SER   A 1 41  ? -39.239 -4.307  -41.470 1.00 17.98 ? 47  SER   B C   1 
ATOM   347  O O   . SER   A 1 41  ? -38.296 -4.427  -40.689 1.00 16.74 ? 47  SER   B O   1 
ATOM   348  C CB  . SER   A 1 41  ? -38.896 -3.154  -43.641 1.00 21.23 ? 47  SER   B CB  1 
ATOM   349  O OG  . SER   A 1 41  ? -37.499 -3.385  -43.572 1.00 21.69 ? 47  SER   B OG  1 
ATOM   350  N N   . ASP   A 1 42  ? -40.087 -5.286  -41.718 1.00 16.90 ? 48  ASP   B N   1 
ATOM   351  C CA  . ASP   A 1 42  ? -39.951 -6.637  -41.161 1.00 17.02 ? 48  ASP   B CA  1 
ATOM   352  C C   . ASP   A 1 42  ? -38.908 -7.415  -41.959 1.00 17.80 ? 48  ASP   B C   1 
ATOM   353  O O   . ASP   A 1 42  ? -38.603 -7.088  -43.114 1.00 18.03 ? 48  ASP   B O   1 
ATOM   354  C CB  . ASP   A 1 42  ? -41.287 -7.335  -41.140 1.00 18.88 ? 48  ASP   B CB  1 
ATOM   355  C CG  . ASP   A 1 42  ? -41.221 -8.597  -40.327 1.00 23.83 ? 48  ASP   B CG  1 
ATOM   356  O OD1 . ASP   A 1 42  ? -40.496 -8.596  -39.227 1.00 18.24 ? 48  ASP   B OD1 1 
ATOM   357  O OD2 . ASP   A 1 42  ? -41.678 -9.603  -40.920 1.00 29.47 ? 48  ASP   B OD2 1 
ATOM   358  N N   . ASN   A 1 43  ? -38.261 -8.377  -41.295 1.00 16.23 ? 49  ASN   B N   1 
ATOM   359  C CA  . ASN   A 1 43  ? -37.258 -9.251  -41.959 1.00 17.65 ? 49  ASN   B CA  1 
ATOM   360  C C   . ASN   A 1 43  ? -37.202 -10.557 -41.167 1.00 18.20 ? 49  ASN   B C   1 
ATOM   361  O O   . ASN   A 1 43  ? -37.811 -10.653 -40.069 1.00 18.54 ? 49  ASN   B O   1 
ATOM   362  C CB  . ASN   A 1 43  ? -35.921 -8.568  -42.156 1.00 16.54 ? 49  ASN   B CB  1 
ATOM   363  C CG  . ASN   A 1 43  ? -35.168 -8.383  -40.858 1.00 17.77 ? 49  ASN   B CG  1 
ATOM   364  O OD1 . ASN   A 1 43  ? -35.004 -9.329  -40.100 1.00 18.96 ? 49  ASN   B OD1 1 
ATOM   365  N ND2 . ASN   A 1 43  ? -34.723 -7.214  -40.568 1.00 17.04 ? 49  ASN   B ND2 1 
ATOM   366  N N   . LYS   A 1 44  ? -36.591 -11.600 -41.723 1.00 19.65 ? 50  LYS   B N   1 
ATOM   367  C CA  . LYS   A 1 44  ? -36.648 -12.933 -41.095 1.00 21.15 ? 50  LYS   B CA  1 
ATOM   368  C C   . LYS   A 1 44  ? -35.700 -13.007 -39.877 1.00 17.92 ? 50  LYS   B C   1 
ATOM   369  O O   . LYS   A 1 44  ? -35.880 -13.967 -39.101 1.00 18.78 ? 50  LYS   B O   1 
ATOM   370  C CB  . LYS   A 1 44  ? -36.239 -13.968 -42.150 1.00 24.92 ? 50  LYS   B CB  1 
ATOM   371  C CG  . LYS   A 1 44  ? -34.800 -13.825 -42.603 1.00 30.58 ? 50  LYS   B CG  1 
ATOM   372  C CD  . LYS   A 1 44  ? -34.417 -14.884 -43.630 1.00 41.79 ? 50  LYS   B CD  1 
ATOM   373  C CE  . LYS   A 1 44  ? -32.981 -15.328 -43.491 1.00 47.99 ? 50  LYS   B CE  1 
ATOM   374  N NZ  . LYS   A 1 44  ? -32.511 -15.897 -44.776 1.00 55.33 ? 50  LYS   B NZ  1 
ATOM   375  N N   . GLU   A 1 45  ? -34.814 -12.040 -39.689 1.00 16.54 ? 51  GLU   B N   1 
ATOM   376  C CA  . GLU   A 1 45  ? -33.887 -12.008 -38.507 1.00 16.42 ? 51  GLU   B CA  1 
ATOM   377  C C   . GLU   A 1 45  ? -34.614 -11.490 -37.252 1.00 16.51 ? 51  GLU   B C   1 
ATOM   378  O O   . GLU   A 1 45  ? -34.191 -11.848 -36.122 1.00 16.71 ? 51  GLU   B O   1 
ATOM   379  C CB  . GLU   A 1 45  ? -32.670 -11.140 -38.772 1.00 19.13 ? 51  GLU   B CB  1 
ATOM   380  C CG  . GLU   A 1 45  ? -31.775 -11.599 -39.937 1.00 22.73 ? 51  GLU   B CG  1 
ATOM   381  C CD  . GLU   A 1 45  ? -30.578 -10.685 -40.119 1.00 29.25 ? 51  GLU   B CD  1 
ATOM   382  O OE1 . GLU   A 1 45  ? -30.538 -9.954  -41.152 1.00 40.82 ? 51  GLU   B OE1 1 
ATOM   383  O OE2 . GLU   A 1 45  ? -29.710 -10.627 -39.241 1.00 33.00 ? 51  GLU   B OE2 1 
ATOM   384  N N   . ARG   A 1 46  ? -35.634 -10.657 -37.387 1.00 14.78 ? 52  ARG   B N   1 
ATOM   385  C CA  . ARG   A 1 46  ? -36.173 -9.945  -36.199 1.00 14.54 ? 52  ARG   B CA  1 
ATOM   386  C C   . ARG   A 1 46  ? -36.885 -10.888 -35.233 1.00 13.71 ? 52  ARG   B C   1 
ATOM   387  O O   . ARG   A 1 46  ? -37.743 -11.704 -35.641 1.00 14.68 ? 52  ARG   B O   1 
ATOM   388  C CB  . ARG   A 1 46  ? -37.167 -8.857  -36.632 1.00 14.11 ? 52  ARG   B CB  1 
ATOM   389  C CG  . ARG   A 1 46  ? -36.578 -7.736  -37.453 1.00 14.61 ? 52  ARG   B CG  1 
ATOM   390  C CD  . ARG   A 1 46  ? -37.496 -6.493  -37.395 1.00 13.76 ? 52  ARG   B CD  1 
ATOM   391  N NE  . ARG   A 1 46  ? -36.988 -5.478  -38.278 1.00 15.47 ? 52  ARG   B NE  1 
ATOM   392  C CZ  . ARG   A 1 46  ? -35.891 -4.767  -38.067 1.00 15.16 ? 52  ARG   B CZ  1 
ATOM   393  N NH1 . ARG   A 1 46  ? -35.252 -4.792  -36.891 1.00 14.44 ? 52  ARG   B NH1 1 
ATOM   394  N NH2 . ARG   A 1 46  ? -35.425 -3.942  -39.003 1.00 18.48 ? 52  ARG   B NH2 1 
ATOM   395  N N   . PHE   A 1 47  ? -36.593 -10.801 -33.929 1.00 12.28 ? 53  PHE   B N   1 
ATOM   396  C CA  . PHE   A 1 47  ? -37.431 -11.502 -32.953 1.00 11.91 ? 53  PHE   B CA  1 
ATOM   397  C C   . PHE   A 1 47  ? -38.853 -10.900 -32.975 1.00 14.36 ? 53  PHE   B C   1 
ATOM   398  O O   . PHE   A 1 47  ? -38.989 -9.690  -32.738 1.00 14.83 ? 53  PHE   B O   1 
ATOM   399  C CB  . PHE   A 1 47  ? -36.810 -11.418 -31.566 1.00 12.12 ? 53  PHE   B CB  1 
ATOM   400  C CG  . PHE   A 1 47  ? -35.568 -12.262 -31.445 1.00 12.24 ? 53  PHE   B CG  1 
ATOM   401  C CD1 . PHE   A 1 47  ? -35.668 -13.624 -31.178 1.00 12.12 ? 53  PHE   B CD1 1 
ATOM   402  C CD2 . PHE   A 1 47  ? -34.307 -11.693 -31.497 1.00 13.39 ? 53  PHE   B CD2 1 
ATOM   403  C CE1 . PHE   A 1 47  ? -34.513 -14.399 -31.025 1.00 12.90 ? 53  PHE   B CE1 1 
ATOM   404  C CE2 . PHE   A 1 47  ? -33.167 -12.494 -31.351 1.00 13.13 ? 53  PHE   B CE2 1 
ATOM   405  C CZ  . PHE   A 1 47  ? -33.283 -13.850 -31.140 1.00 11.58 ? 53  PHE   B CZ  1 
ATOM   406  N N   . SER   A 1 48  ? -39.867 -11.707 -33.193 1.00 15.00 ? 54  SER   B N   1 
ATOM   407  C CA  . SER   A 1 48  ? -41.245 -11.185 -33.385 1.00 16.27 ? 54  SER   B CA  1 
ATOM   408  C C   . SER   A 1 48  ? -42.007 -11.083 -32.083 1.00 16.35 ? 54  SER   B C   1 
ATOM   409  O O   . SER   A 1 48  ? -42.813 -10.142 -31.971 1.00 18.95 ? 54  SER   B O   1 
ATOM   410  C CB  . SER   A 1 48  ? -41.955 -12.073 -34.401 1.00 15.12 ? 54  SER   B CB  1 
ATOM   411  O OG  . SER   A 1 48  ? -42.130 -13.386 -33.979 1.00 16.72 ? 54  SER   B OG  1 
ATOM   412  N N   . ASN   A 1 49  ? -41.847 -11.991 -31.143 1.00 14.16 ? 55  ASN   B N   1 
ATOM   413  C CA  . ASN   A 1 49  ? -42.789 -12.154 -30.010 1.00 15.86 ? 55  ASN   B CA  1 
ATOM   414  C C   . ASN   A 1 49  ? -42.287 -11.426 -28.770 1.00 14.46 ? 55  ASN   B C   1 
ATOM   415  O O   . ASN   A 1 49  ? -43.025 -11.306 -27.785 1.00 16.52 ? 55  ASN   B O   1 
ATOM   416  C CB  . ASN   A 1 49  ? -43.149 -13.599 -29.714 1.00 16.46 ? 55  ASN   B CB  1 
ATOM   417  C CG  . ASN   A 1 49  ? -44.074 -14.214 -30.754 1.00 20.05 ? 55  ASN   B CG  1 
ATOM   418  O OD1 . ASN   A 1 49  ? -43.868 -14.064 -31.951 1.00 21.22 ? 55  ASN   B OD1 1 
ATOM   419  N ND2 . ASN   A 1 49  ? -44.999 -15.012 -30.246 1.00 25.28 ? 55  ASN   B ND2 1 
ATOM   420  N N   . TYR   A 1 50  ? -40.969 -11.125 -28.717 1.00 12.51 ? 56  TYR   B N   1 
ATOM   421  C CA  . TYR   A 1 50  ? -40.353 -10.656 -27.474 1.00 11.80 ? 56  TYR   B CA  1 
ATOM   422  C C   . TYR   A 1 50  ? -39.392 -9.509  -27.787 1.00 11.73 ? 56  TYR   B C   1 
ATOM   423  O O   . TYR   A 1 50  ? -38.846 -9.434  -28.887 1.00 12.85 ? 56  TYR   B O   1 
ATOM   424  C CB  . TYR   A 1 50  ? -39.532 -11.778 -26.806 1.00 12.02 ? 56  TYR   B CB  1 
ATOM   425  C CG  . TYR   A 1 50  ? -40.240 -13.112 -26.685 1.00 13.24 ? 56  TYR   B CG  1 
ATOM   426  C CD1 . TYR   A 1 50  ? -41.212 -13.303 -25.711 1.00 15.43 ? 56  TYR   B CD1 1 
ATOM   427  C CD2 . TYR   A 1 50  ? -39.981 -14.174 -27.531 1.00 13.77 ? 56  TYR   B CD2 1 
ATOM   428  C CE1 . TYR   A 1 50  ? -41.883 -14.518 -25.569 1.00 16.95 ? 56  TYR   B CE1 1 
ATOM   429  C CE2 . TYR   A 1 50  ? -40.681 -15.369 -27.449 1.00 15.44 ? 56  TYR   B CE2 1 
ATOM   430  C CZ  . TYR   A 1 50  ? -41.611 -15.554 -26.434 1.00 15.54 ? 56  TYR   B CZ  1 
ATOM   431  O OH  . TYR   A 1 50  ? -42.235 -16.787 -26.386 1.00 16.63 ? 56  TYR   B OH  1 
ATOM   432  N N   . PRO   A 1 51  ? -39.090 -8.638  -26.794 1.00 11.45 ? 57  PRO   B N   1 
ATOM   433  C CA  . PRO   A 1 51  ? -38.234 -7.476  -27.032 1.00 11.75 ? 57  PRO   B CA  1 
ATOM   434  C C   . PRO   A 1 51  ? -36.710 -7.771  -26.995 1.00 11.31 ? 57  PRO   B C   1 
ATOM   435  O O   . PRO   A 1 51  ? -35.961 -7.240  -26.193 1.00 11.92 ? 57  PRO   B O   1 
ATOM   436  C CB  . PRO   A 1 51  ? -38.602 -6.466  -25.900 1.00 15.07 ? 57  PRO   B CB  1 
ATOM   437  C CG  . PRO   A 1 51  ? -39.667 -7.150  -25.077 1.00 14.20 ? 57  PRO   B CG  1 
ATOM   438  C CD  . PRO   A 1 51  ? -39.741 -8.579  -25.489 1.00 12.66 ? 57  PRO   B CD  1 
ATOM   439  N N   . MET   A 1 52  ? -36.332 -8.667  -27.921 1.00 11.23 ? 58  MET   B N   1 
ATOM   440  C CA  . MET   A 1 52  ? -34.965 -9.248  -27.995 1.00 10.11 ? 58  MET   B CA  1 
ATOM   441  C C   . MET   A 1 52  ? -34.170 -8.664  -29.147 1.00 10.37 ? 58  MET   B C   1 
ATOM   442  O O   . MET   A 1 52  ? -34.684 -8.186  -30.176 1.00 10.57 ? 58  MET   B O   1 
ATOM   443  C CB  . MET   A 1 52  ? -35.092 -10.761 -28.147 1.00 10.21 ? 58  MET   B CB  1 
ATOM   444  C CG  . MET   A 1 52  ? -35.678 -11.473 -26.983 1.00 10.41 ? 58  MET   B CG  1 
ATOM   445  S SD  . MET   A 1 52  ? -36.141 -13.160 -27.374 1.00 12.15 ? 58  MET   B SD  1 
ATOM   446  C CE  . MET   A 1 52  ? -36.768 -13.763 -25.821 1.00 12.73 ? 58  MET   B CE  1 
ATOM   447  N N   . VAL   A 1 53  ? -32.855 -8.722  -28.987 1.00 10.34 ? 59  VAL   B N   1 
ATOM   448  C CA  . VAL   A 1 53  ? -31.866 -8.269  -30.011 1.00 10.66 ? 59  VAL   B CA  1 
ATOM   449  C C   . VAL   A 1 53  ? -30.565 -9.041  -29.791 1.00 11.65 ? 59  VAL   B C   1 
ATOM   450  O O   . VAL   A 1 53  ? -30.268 -9.453  -28.636 1.00 10.93 ? 59  VAL   B O   1 
ATOM   451  C CB  . VAL   A 1 53  ? -31.676 -6.737  -29.980 1.00 10.97 ? 59  VAL   B CB  1 
ATOM   452  C CG1 . VAL   A 1 53  ? -31.143 -6.235  -28.648 1.00 11.03 ? 59  VAL   B CG1 1 
ATOM   453  C CG2 . VAL   A 1 53  ? -30.793 -6.226  -31.115 1.00 10.75 ? 59  VAL   B CG2 1 
ATOM   454  N N   . LEU   A 1 54  ? -29.811 -9.228  -30.872 1.00 11.06 ? 60  LEU   B N   1 
ATOM   455  C CA  . LEU   A 1 54  ? -28.469 -9.858  -30.794 1.00 11.42 ? 60  LEU   B CA  1 
ATOM   456  C C   . LEU   A 1 54  ? -27.369 -8.839  -30.909 1.00 11.87 ? 60  LEU   B C   1 
ATOM   457  O O   . LEU   A 1 54  ? -27.487 -7.786  -31.630 1.00 12.51 ? 60  LEU   B O   1 
ATOM   458  C CB  . LEU   A 1 54  ? -28.277 -10.920 -31.874 1.00 11.54 ? 60  LEU   B CB  1 
ATOM   459  C CG  . LEU   A 1 54  ? -29.358 -11.984 -31.926 1.00 12.27 ? 60  LEU   B CG  1 
ATOM   460  C CD1 . LEU   A 1 54  ? -29.079 -13.098 -32.932 1.00 14.00 ? 60  LEU   B CD1 1 
ATOM   461  C CD2 . LEU   A 1 54  ? -29.585 -12.637 -30.560 1.00 13.21 ? 60  LEU   B CD2 1 
ATOM   462  N N   . GLY   A 1 55  ? -26.201 -9.188  -30.373 1.00 11.82 ? 61  GLY   B N   1 
ATOM   463  C CA  . GLY   A 1 55  ? -24.945 -8.493  -30.716 1.00 12.36 ? 61  GLY   B CA  1 
ATOM   464  C C   . GLY   A 1 55  ? -24.534 -8.822  -32.145 1.00 12.45 ? 61  GLY   B C   1 
ATOM   465  O O   . GLY   A 1 55  ? -24.855 -9.913  -32.638 1.00 12.40 ? 61  GLY   B O   1 
ATOM   466  N N   . ALA   A 1 56  ? -23.801 -7.930  -32.782 1.00 13.50 ? 62  ALA   B N   1 
ATOM   467  C CA  . ALA   A 1 56  ? -23.296 -8.145  -34.155 1.00 15.21 ? 62  ALA   B CA  1 
ATOM   468  C C   . ALA   A 1 56  ? -22.181 -9.197  -34.181 1.00 14.98 ? 62  ALA   B C   1 
ATOM   469  O O   . ALA   A 1 56  ? -22.022 -9.896  -35.209 1.00 18.71 ? 62  ALA   B O   1 
ATOM   470  C CB  . ALA   A 1 56  ? -22.827 -6.818  -34.647 1.00 15.99 ? 62  ALA   B CB  1 
ATOM   471  N N   . GLN   A 1 57  ? -21.445 -9.304  -33.087 1.00 14.74 ? 63  GLN   B N   1 
ATOM   472  C CA  . GLN   A 1 57  ? -20.227 -10.170 -33.070 1.00 14.26 ? 63  GLN   B CA  1 
ATOM   473  C C   . GLN   A 1 57  ? -20.658 -11.637 -33.057 1.00 15.81 ? 63  GLN   B C   1 
ATOM   474  O O   . GLN   A 1 57  ? -21.672 -11.993 -32.410 1.00 15.79 ? 63  GLN   B O   1 
ATOM   475  C CB  . GLN   A 1 57  ? -19.378 -9.829  -31.840 1.00 15.82 ? 63  GLN   B CB  1 
ATOM   476  C CG  . GLN   A 1 57  ? -18.692 -8.467  -31.894 1.00 17.34 ? 63  GLN   B CG  1 
ATOM   477  C CD  . GLN   A 1 57  ? -19.652 -7.293  -31.776 1.00 18.04 ? 63  GLN   B CD  1 
ATOM   478  O OE1 . GLN   A 1 57  ? -20.606 -7.321  -30.997 1.00 16.40 ? 63  GLN   B OE1 1 
ATOM   479  N NE2 . GLN   A 1 57  ? -19.384 -6.212  -32.475 1.00 20.64 ? 63  GLN   B NE2 1 
ATOM   480  N N   . ARG   A 1 58  ? -19.921 -12.509 -33.768 1.00 16.00 ? 64  ARG   B N   1 
ATOM   481  C CA  . ARG   A 1 58  ? -20.079 -13.964 -33.741 1.00 16.08 ? 64  ARG   B CA  1 
ATOM   482  C C   . ARG   A 1 58  ? -18.801 -14.573 -33.186 1.00 14.77 ? 64  ARG   B C   1 
ATOM   483  O O   . ARG   A 1 58  ? -17.706 -14.131 -33.555 1.00 17.98 ? 64  ARG   B O   1 
ATOM   484  C CB  . ARG   A 1 58  ? -20.233 -14.554 -35.157 1.00 20.72 ? 64  ARG   B CB  1 
ATOM   485  C CG  . ARG   A 1 58  ? -21.591 -14.372 -35.829 1.00 30.24 ? 64  ARG   B CG  1 
ATOM   486  C CD  . ARG   A 1 58  ? -22.143 -12.972 -35.649 1.00 31.49 ? 64  ARG   B CD  1 
ATOM   487  N NE  . ARG   A 1 58  ? -22.969 -12.252 -36.625 1.00 36.00 ? 64  ARG   B NE  1 
ATOM   488  C CZ  . ARG   A 1 58  ? -23.643 -12.749 -37.658 1.00 33.64 ? 64  ARG   B CZ  1 
ATOM   489  N NH1 . ARG   A 1 58  ? -24.343 -11.922 -38.419 1.00 39.35 ? 64  ARG   B NH1 1 
ATOM   490  N NH2 . ARG   A 1 58  ? -23.639 -14.038 -37.930 1.00 34.05 ? 64  ARG   B NH2 1 
ATOM   491  N N   . PHE   A 1 59  ? -18.935 -15.505 -32.267 1.00 13.67 ? 65  PHE   B N   1 
ATOM   492  C CA  . PHE   A 1 59  ? -17.772 -16.148 -31.606 1.00 14.13 ? 65  PHE   B CA  1 
ATOM   493  C C   . PHE   A 1 59  ? -17.827 -17.633 -31.864 1.00 13.13 ? 65  PHE   B C   1 
ATOM   494  O O   . PHE   A 1 59  ? -18.840 -18.279 -31.619 1.00 12.54 ? 65  PHE   B O   1 
ATOM   495  C CB  . PHE   A 1 59  ? -17.828 -15.852 -30.088 1.00 15.75 ? 65  PHE   B CB  1 
ATOM   496  C CG  . PHE   A 1 59  ? -17.816 -14.377 -29.751 1.00 16.99 ? 65  PHE   B CG  1 
ATOM   497  C CD1 . PHE   A 1 59  ? -16.805 -13.562 -30.230 1.00 19.82 ? 65  PHE   B CD1 1 
ATOM   498  C CD2 . PHE   A 1 59  ? -18.809 -13.812 -28.988 1.00 24.29 ? 65  PHE   B CD2 1 
ATOM   499  C CE1 . PHE   A 1 59  ? -16.754 -12.205 -29.945 1.00 22.19 ? 65  PHE   B CE1 1 
ATOM   500  C CE2 . PHE   A 1 59  ? -18.745 -12.453 -28.690 1.00 19.74 ? 65  PHE   B CE2 1 
ATOM   501  C CZ  . PHE   A 1 59  ? -17.764 -11.669 -29.208 1.00 20.60 ? 65  PHE   B CZ  1 
ATOM   502  N N   A SER   A 1 60  ? -16.713 -18.216 -32.334 0.25 13.63 ? 66  SER   B N   1 
ATOM   503  N N   B SER   A 1 60  ? -16.716 -18.206 -32.356 0.25 13.96 ? 66  SER   B N   1 
ATOM   504  C CA  A SER   A 1 60  ? -16.627 -19.671 -32.636 0.25 14.06 ? 66  SER   B CA  1 
ATOM   505  C CA  B SER   A 1 60  ? -16.589 -19.660 -32.653 0.25 14.70 ? 66  SER   B CA  1 
ATOM   506  C C   A SER   A 1 60  ? -15.407 -20.309 -31.950 0.25 13.52 ? 66  SER   B C   1 
ATOM   507  C C   B SER   A 1 60  ? -15.321 -20.240 -32.031 0.25 14.48 ? 66  SER   B C   1 
ATOM   508  O O   A SER   A 1 60  ? -15.272 -21.554 -32.002 0.25 13.27 ? 66  SER   B O   1 
ATOM   509  O O   B SER   A 1 60  ? -14.923 -21.349 -32.423 0.25 14.24 ? 66  SER   B O   1 
ATOM   510  C CB  A SER   A 1 60  ? -16.669 -19.906 -34.138 0.25 14.21 ? 66  SER   B CB  1 
ATOM   511  C CB  B SER   A 1 60  ? -16.568 -19.908 -34.125 0.25 14.57 ? 66  SER   B CB  1 
ATOM   512  O OG  A SER   A 1 60  ? -18.022 -19.789 -34.626 0.25 14.51 ? 66  SER   B OG  1 
ATOM   513  O OG  B SER   A 1 60  ? -15.505 -19.199 -34.701 0.25 15.15 ? 66  SER   B OG  1 
ATOM   514  N N   A SER   A 1 61  ? -14.610 -19.511 -31.238 0.25 13.50 ? 67  SER   B N   1 
ATOM   515  N N   B SER   A 1 61  ? -14.704 -19.520 -31.104 0.25 15.50 ? 67  SER   B N   1 
ATOM   516  C CA  A SER   A 1 61  ? -13.427 -19.976 -30.473 0.25 14.25 ? 67  SER   B CA  1 
ATOM   517  C CA  B SER   A 1 61  ? -13.444 -19.945 -30.463 0.25 16.82 ? 67  SER   B CA  1 
ATOM   518  C C   A SER   A 1 61  ? -13.101 -18.983 -29.358 0.25 14.89 ? 67  SER   B C   1 
ATOM   519  C C   B SER   A 1 61  ? -13.023 -18.930 -29.408 0.25 16.45 ? 67  SER   B C   1 
ATOM   520  O O   A SER   A 1 61  ? -13.670 -17.882 -29.381 0.25 14.66 ? 67  SER   B O   1 
ATOM   521  O O   B SER   A 1 61  ? -13.412 -17.752 -29.547 0.25 15.81 ? 67  SER   B O   1 
ATOM   522  C CB  A SER   A 1 61  ? -12.242 -20.141 -31.404 0.25 14.30 ? 67  SER   B CB  1 
ATOM   523  C CB  B SER   A 1 61  ? -12.370 -20.105 -31.511 0.25 18.51 ? 67  SER   B CB  1 
ATOM   524  O OG  A SER   A 1 61  ? -11.748 -18.872 -31.779 0.25 14.09 ? 67  SER   B OG  1 
ATOM   525  O OG  B SER   A 1 61  ? -11.149 -20.439 -30.887 0.25 22.09 ? 67  SER   B OG  1 
ATOM   526  N N   . GLY   A 1 62  ? -12.197 -19.364 -28.448 1.00 16.23 ? 68  GLY   B N   1 
ATOM   527  C CA  . GLY   A 1 62  ? -11.575 -18.425 -27.495 1.00 17.00 ? 68  GLY   B CA  1 
ATOM   528  C C   . GLY   A 1 62  ? -12.438 -18.067 -26.315 1.00 13.85 ? 68  GLY   B C   1 
ATOM   529  O O   . GLY   A 1 62  ? -13.431 -18.746 -26.032 1.00 15.40 ? 68  GLY   B O   1 
ATOM   530  N N   . LYS   A 1 63  ? -11.921 -17.088 -25.595 1.00 13.06 ? 69  LYS   B N   1 
ATOM   531  C CA  . LYS   A 1 63  ? -12.476 -16.582 -24.349 1.00 14.49 ? 69  LYS   B CA  1 
ATOM   532  C C   . LYS   A 1 63  ? -12.896 -15.149 -24.633 1.00 13.93 ? 69  LYS   B C   1 
ATOM   533  O O   . LYS   A 1 63  ? -12.107 -14.343 -25.131 1.00 16.25 ? 69  LYS   B O   1 
ATOM   534  C CB  . LYS   A 1 63  ? -11.445 -16.710 -23.240 1.00 15.89 ? 69  LYS   B CB  1 
ATOM   535  C CG  . LYS   A 1 63  ? -11.100 -18.149 -22.839 1.00 16.72 ? 69  LYS   B CG  1 
ATOM   536  C CD  . LYS   A 1 63  ? -9.928  -18.227 -21.811 1.00 20.32 ? 69  LYS   B CD  1 
ATOM   537  C CE  . LYS   A 1 63  ? -9.618  -19.628 -21.325 1.00 22.58 ? 69  LYS   B CE  1 
ATOM   538  N NZ  . LYS   A 1 63  ? -8.518  -19.581 -20.328 1.00 25.84 ? 69  LYS   B NZ  1 
ATOM   539  N N   . MET   A 1 64  ? -14.103 -14.807 -24.177 1.00 13.28 ? 70  MET   B N   1 
ATOM   540  C CA  . MET   A 1 64  ? -14.732 -13.480 -24.378 1.00 13.49 ? 70  MET   B CA  1 
ATOM   541  C C   . MET   A 1 64  ? -15.404 -13.030 -23.085 1.00 12.68 ? 70  MET   B C   1 
ATOM   542  O O   . MET   A 1 64  ? -15.988 -13.862 -22.382 1.00 13.44 ? 70  MET   B O   1 
ATOM   543  C CB  . MET   A 1 64  ? -15.853 -13.593 -25.393 1.00 13.08 ? 70  MET   B CB  1 
ATOM   544  C CG  . MET   A 1 64  ? -15.404 -13.749 -26.810 1.00 13.53 ? 70  MET   B CG  1 
ATOM   545  S SD  . MET   A 1 64  ? -14.677 -15.328 -27.360 1.00 16.96 ? 70  MET   B SD  1 
ATOM   546  C CE  . MET   A 1 64  ? -15.886 -16.554 -26.921 1.00 16.07 ? 70  MET   B CE  1 
ATOM   547  N N   . TYR   A 1 65  ? -15.386 -11.744 -22.798 1.00 12.72 ? 71  TYR   B N   1 
ATOM   548  C CA  . TYR   A 1 65  ? -15.995 -11.154 -21.579 1.00 13.20 ? 71  TYR   B CA  1 
ATOM   549  C C   . TYR   A 1 65  ? -16.603 -9.817  -21.945 1.00 13.54 ? 71  TYR   B C   1 
ATOM   550  O O   . TYR   A 1 65  ? -15.966 -9.011  -22.677 1.00 14.65 ? 71  TYR   B O   1 
ATOM   551  C CB  . TYR   A 1 65  ? -14.941 -10.984 -20.481 1.00 13.84 ? 71  TYR   B CB  1 
ATOM   552  C CG  . TYR   A 1 65  ? -15.455 -10.380 -19.197 1.00 13.08 ? 71  TYR   B CG  1 
ATOM   553  C CD1 . TYR   A 1 65  ? -16.218 -11.136 -18.325 1.00 13.90 ? 71  TYR   B CD1 1 
ATOM   554  C CD2 . TYR   A 1 65  ? -15.273 -9.023  -18.925 1.00 13.38 ? 71  TYR   B CD2 1 
ATOM   555  C CE1 . TYR   A 1 65  ? -16.718 -10.593 -17.138 1.00 15.13 ? 71  TYR   B CE1 1 
ATOM   556  C CE2 . TYR   A 1 65  ? -15.809 -8.470  -17.771 1.00 13.10 ? 71  TYR   B CE2 1 
ATOM   557  C CZ  . TYR   A 1 65  ? -16.525 -9.237  -16.885 1.00 13.70 ? 71  TYR   B CZ  1 
ATOM   558  O OH  . TYR   A 1 65  ? -17.022 -8.648  -15.756 1.00 15.32 ? 71  TYR   B OH  1 
ATOM   559  N N   . TRP   A 1 66  ? -17.806 -9.567  -21.460 1.00 12.05 ? 72  TRP   B N   1 
ATOM   560  C CA  . TRP   A 1 66  ? -18.393 -8.214  -21.555 1.00 12.75 ? 72  TRP   B CA  1 
ATOM   561  C C   . TRP   A 1 66  ? -19.296 -7.938  -20.337 1.00 12.44 ? 72  TRP   B C   1 
ATOM   562  O O   . TRP   A 1 66  ? -19.644 -8.873  -19.571 1.00 13.15 ? 72  TRP   B O   1 
ATOM   563  C CB  . TRP   A 1 66  ? -19.137 -8.005  -22.890 1.00 12.09 ? 72  TRP   B CB  1 
ATOM   564  C CG  . TRP   A 1 66  ? -20.313 -8.887  -23.161 1.00 11.72 ? 72  TRP   B CG  1 
ATOM   565  C CD1 . TRP   A 1 66  ? -21.654 -8.622  -22.930 1.00 11.15 ? 72  TRP   B CD1 1 
ATOM   566  C CD2 . TRP   A 1 66  ? -20.300 -10.217 -23.698 1.00 12.91 ? 72  TRP   B CD2 1 
ATOM   567  N NE1 . TRP   A 1 66  ? -22.426 -9.674  -23.365 1.00 11.79 ? 72  TRP   B NE1 1 
ATOM   568  C CE2 . TRP   A 1 66  ? -21.624 -10.678 -23.802 1.00 13.00 ? 72  TRP   B CE2 1 
ATOM   569  C CE3 . TRP   A 1 66  ? -19.268 -11.048 -24.145 1.00 14.41 ? 72  TRP   B CE3 1 
ATOM   570  C CZ2 . TRP   A 1 66  ? -21.946 -11.913 -24.335 1.00 13.50 ? 72  TRP   B CZ2 1 
ATOM   571  C CZ3 . TRP   A 1 66  ? -19.585 -12.268 -24.673 1.00 16.63 ? 72  TRP   B CZ3 1 
ATOM   572  C CH2 . TRP   A 1 66  ? -20.896 -12.716 -24.723 1.00 14.57 ? 72  TRP   B CH2 1 
ATOM   573  N N   . GLU   A 1 67  ? -19.733 -6.678  -20.198 1.00 12.47 ? 73  GLU   B N   1 
ATOM   574  C CA  . GLU   A 1 67  ? -20.555 -6.251  -19.048 1.00 11.50 ? 73  GLU   B CA  1 
ATOM   575  C C   . GLU   A 1 67  ? -21.763 -5.473  -19.537 1.00 11.41 ? 73  GLU   B C   1 
ATOM   576  O O   . GLU   A 1 67  ? -21.671 -4.774  -20.523 1.00 12.36 ? 73  GLU   B O   1 
ATOM   577  C CB  . GLU   A 1 67  ? -19.747 -5.386  -18.079 1.00 13.15 ? 73  GLU   B CB  1 
ATOM   578  C CG  . GLU   A 1 67  ? -18.665 -6.219  -17.379 1.00 15.85 ? 73  GLU   B CG  1 
ATOM   579  C CD  . GLU   A 1 67  ? -17.817 -5.467  -16.373 1.00 19.89 ? 73  GLU   B CD  1 
ATOM   580  O OE1 . GLU   A 1 67  ? -17.988 -4.186  -16.281 1.00 22.89 ? 73  GLU   B OE1 1 
ATOM   581  O OE2 . GLU   A 1 67  ? -16.969 -6.136  -15.668 1.00 17.46 ? 73  GLU   B OE2 1 
ATOM   582  N N   . VAL   A 1 68  ? -22.872 -5.663  -18.840 1.00 11.44 ? 74  VAL   B N   1 
ATOM   583  C CA  . VAL   A 1 68  ? -24.160 -5.026  -19.164 1.00 11.46 ? 74  VAL   B CA  1 
ATOM   584  C C   . VAL   A 1 68  ? -24.738 -4.343  -17.930 1.00 11.64 ? 74  VAL   B C   1 
ATOM   585  O O   . VAL   A 1 68  ? -24.813 -4.985  -16.864 1.00 12.32 ? 74  VAL   B O   1 
ATOM   586  C CB  . VAL   A 1 68  ? -25.151 -6.052  -19.745 1.00 11.28 ? 74  VAL   B CB  1 
ATOM   587  C CG1 . VAL   A 1 68  ? -26.405 -5.363  -20.233 1.00 12.62 ? 74  VAL   B CG1 1 
ATOM   588  C CG2 . VAL   A 1 68  ? -24.540 -6.931  -20.822 1.00 12.51 ? 74  VAL   B CG2 1 
ATOM   589  N N   . ASP   A 1 69  ? -25.184 -3.098  -18.104 1.00 11.86 ? 75  ASP   B N   1 
ATOM   590  C CA  . ASP   A 1 69  ? -25.846 -2.310  -17.035 1.00 12.82 ? 75  ASP   B CA  1 
ATOM   591  C C   . ASP   A 1 69  ? -27.338 -2.598  -17.084 1.00 11.73 ? 75  ASP   B C   1 
ATOM   592  O O   . ASP   A 1 69  ? -27.964 -2.505  -18.215 1.00 12.18 ? 75  ASP   B O   1 
ATOM   593  C CB  . ASP   A 1 69  ? -25.541 -0.817  -17.217 1.00 14.82 ? 75  ASP   B CB  1 
ATOM   594  C CG  . ASP   A 1 69  ? -25.930 0.002   -15.988 1.00 17.48 ? 75  ASP   B CG  1 
ATOM   595  O OD1 . ASP   A 1 69  ? -27.087 0.003   -15.637 1.00 16.55 ? 75  ASP   B OD1 1 
ATOM   596  O OD2 . ASP   A 1 69  ? -25.015 0.478   -15.254 1.00 22.87 ? 75  ASP   B OD2 1 
ATOM   597  N N   . VAL   A 1 70  ? -27.908 -3.022  -15.968 1.00 11.73 ? 76  VAL   B N   1 
ATOM   598  C CA  . VAL   A 1 70  ? -29.357 -3.350  -15.794 1.00 12.39 ? 76  VAL   B CA  1 
ATOM   599  C C   . VAL   A 1 70  ? -30.046 -2.440  -14.756 1.00 14.06 ? 76  VAL   B C   1 
ATOM   600  O O   . VAL   A 1 70  ? -31.121 -2.750  -14.270 1.00 13.28 ? 76  VAL   B O   1 
ATOM   601  C CB  . VAL   A 1 70  ? -29.505 -4.847  -15.432 1.00 11.71 ? 76  VAL   B CB  1 
ATOM   602  C CG1 . VAL   A 1 70  ? -28.921 -5.759  -16.552 1.00 11.35 ? 76  VAL   B CG1 1 
ATOM   603  C CG2 . VAL   A 1 70  ? -28.875 -5.225  -14.093 1.00 12.33 ? 76  VAL   B CG2 1 
ATOM   604  N N   . THR   A 1 71  ? -29.425 -1.312  -14.420 1.00 13.81 ? 77  THR   B N   1 
ATOM   605  C CA  . THR   A 1 71  ? -29.932 -0.384  -13.388 1.00 15.03 ? 77  THR   B CA  1 
ATOM   606  C C   . THR   A 1 71  ? -31.407 -0.066  -13.638 1.00 15.24 ? 77  THR   B C   1 
ATOM   607  O O   . THR   A 1 71  ? -31.815 0.261   -14.747 1.00 14.47 ? 77  THR   B O   1 
ATOM   608  C CB  . THR   A 1 71  ? -29.103 0.897   -13.393 1.00 16.13 ? 77  THR   B CB  1 
ATOM   609  O OG1 . THR   A 1 71  ? -27.728 0.633   -13.121 1.00 17.41 ? 77  THR   B OG1 1 
ATOM   610  C CG2 . THR   A 1 71  ? -29.676 1.864   -12.383 1.00 18.79 ? 77  THR   B CG2 1 
ATOM   611  N N   . GLN   A 1 72  ? -32.160 -0.166  -12.556 1.00 18.23 ? 78  GLN   B N   1 
ATOM   612  C CA  . GLN   A 1 72  ? -33.589 0.177   -12.366 1.00 22.20 ? 78  GLN   B CA  1 
ATOM   613  C C   . GLN   A 1 72  ? -34.508 -0.706  -13.209 1.00 20.68 ? 78  GLN   B C   1 
ATOM   614  O O   . GLN   A 1 72  ? -35.730 -0.470  -13.186 1.00 26.21 ? 78  GLN   B O   1 
ATOM   615  C CB  . GLN   A 1 72  ? -33.851 1.678   -12.530 1.00 30.33 ? 78  GLN   B CB  1 
ATOM   616  C CG  . GLN   A 1 72  ? -33.520 2.304   -13.884 1.00 35.83 ? 78  GLN   B CG  1 
ATOM   617  C CD  . GLN   A 1 72  ? -34.306 3.550   -14.270 1.00 40.67 ? 78  GLN   B CD  1 
ATOM   618  O OE1 . GLN   A 1 72  ? -33.775 4.485   -14.887 1.00 42.13 ? 78  GLN   B OE1 1 
ATOM   619  N NE2 . GLN   A 1 72  ? -35.613 3.510   -14.067 1.00 47.86 ? 78  GLN   B NE2 1 
ATOM   620  N N   . LYS   A 1 73  ? -34.045 -1.746  -13.881 1.00 15.09 ? 79  LYS   B N   1 
ATOM   621  C CA  . LYS   A 1 73  ? -35.010 -2.617  -14.589 1.00 13.04 ? 79  LYS   B CA  1 
ATOM   622  C C   . LYS   A 1 73  ? -35.676 -3.662  -13.681 1.00 12.36 ? 79  LYS   B C   1 
ATOM   623  O O   . LYS   A 1 73  ? -35.031 -4.185  -12.733 1.00 13.19 ? 79  LYS   B O   1 
ATOM   624  C CB  . LYS   A 1 73  ? -34.269 -3.305  -15.741 1.00 13.42 ? 79  LYS   B CB  1 
ATOM   625  C CG  . LYS   A 1 73  ? -33.857 -2.299  -16.820 1.00 13.74 ? 79  LYS   B CG  1 
ATOM   626  C CD  . LYS   A 1 73  ? -33.336 -2.934  -18.083 1.00 14.63 ? 79  LYS   B CD  1 
ATOM   627  C CE  . LYS   A 1 73  ? -34.358 -3.696  -18.900 1.00 13.45 ? 79  LYS   B CE  1 
ATOM   628  N NZ  . LYS   A 1 73  ? -35.598 -2.914  -19.196 1.00 12.35 ? 79  LYS   B NZ  1 
ATOM   629  N N   . GLU   A 1 74  ? -36.919 -3.979  -13.971 1.00 10.97 ? 80  GLU   B N   1 
ATOM   630  C CA  . GLU   A 1 74  ? -37.698 -5.005  -13.249 1.00 10.96 ? 80  GLU   B CA  1 
ATOM   631  C C   . GLU   A 1 74  ? -37.649 -6.365  -13.947 1.00 11.98 ? 80  GLU   B C   1 
ATOM   632  O O   . GLU   A 1 74  ? -38.034 -7.385  -13.381 1.00 12.05 ? 80  GLU   B O   1 
ATOM   633  C CB  . GLU   A 1 74  ? -39.178 -4.572  -13.190 1.00 11.74 ? 80  GLU   B CB  1 
ATOM   634  C CG  . GLU   A 1 74  ? -39.435 -3.297  -12.400 1.00 12.81 ? 80  GLU   B CG  1 
ATOM   635  C CD  . GLU   A 1 74  ? -40.901 -2.856  -12.503 1.00 13.40 ? 80  GLU   B CD  1 
ATOM   636  O OE1 . GLU   A 1 74  ? -41.284 -1.993  -11.706 1.00 17.41 ? 80  GLU   B OE1 1 
ATOM   637  O OE2 . GLU   A 1 74  ? -41.649 -3.433  -13.339 1.00 16.11 ? 80  GLU   B OE2 1 
ATOM   638  N N   . ALA   A 1 75  ? -37.277 -6.401  -15.228 1.00 11.19 ? 81  ALA   B N   1 
ATOM   639  C CA  . ALA   A 1 75  ? -37.287 -7.647  -16.011 1.00 10.34 ? 81  ALA   B CA  1 
ATOM   640  C C   . ALA   A 1 75  ? -36.305 -7.525  -17.169 1.00 11.41 ? 81  ALA   B C   1 
ATOM   641  O O   . ALA   A 1 75  ? -36.234 -6.463  -17.820 1.00 10.97 ? 81  ALA   B O   1 
ATOM   642  C CB  . ALA   A 1 75  ? -38.654 -7.970  -16.568 1.00 11.46 ? 81  ALA   B CB  1 
ATOM   643  N N   . TRP   A 1 76  ? -35.591 -8.607  -17.477 1.00 10.52 ? 82  TRP   B N   1 
ATOM   644  C CA  . TRP   A 1 76  ? -34.579 -8.678  -18.570 1.00 10.76 ? 82  TRP   B CA  1 
ATOM   645  C C   . TRP   A 1 76  ? -34.066 -10.104 -18.654 1.00 10.67 ? 82  TRP   B C   1 
ATOM   646  O O   . TRP   A 1 76  ? -34.202 -10.867 -17.673 1.00 10.71 ? 82  TRP   B O   1 
ATOM   647  C CB  . TRP   A 1 76  ? -33.415 -7.708  -18.357 1.00 11.06 ? 82  TRP   B CB  1 
ATOM   648  C CG  . TRP   A 1 76  ? -32.748 -7.733  -17.020 1.00 10.75 ? 82  TRP   B CG  1 
ATOM   649  C CD1 . TRP   A 1 76  ? -32.977 -6.880  -15.983 1.00 12.41 ? 82  TRP   B CD1 1 
ATOM   650  C CD2 . TRP   A 1 76  ? -31.790 -8.679  -16.477 1.00 11.07 ? 82  TRP   B CD2 1 
ATOM   651  N NE1 . TRP   A 1 76  ? -32.214 -7.164  -14.900 1.00 12.04 ? 82  TRP   B NE1 1 
ATOM   652  C CE2 . TRP   A 1 76  ? -31.505 -8.325  -15.153 1.00 12.25 ? 82  TRP   B CE2 1 
ATOM   653  C CE3 . TRP   A 1 76  ? -31.172 -9.828  -17.015 1.00 11.57 ? 82  TRP   B CE3 1 
ATOM   654  C CZ2 . TRP   A 1 76  ? -30.577 -8.968  -14.346 1.00 12.35 ? 82  TRP   B CZ2 1 
ATOM   655  C CZ3 . TRP   A 1 76  ? -30.294 -10.525 -16.195 1.00 11.54 ? 82  TRP   B CZ3 1 
ATOM   656  C CH2 . TRP   A 1 76  ? -29.992 -10.083 -14.894 1.00 12.70 ? 82  TRP   B CH2 1 
ATOM   657  N N   . ASP   A 1 77  ? -33.552 -10.470 -19.815 1.00 10.38 ? 83  ASP   B N   1 
ATOM   658  C CA  . ASP   A 1 77  ? -32.798 -11.742 -20.018 1.00 10.39 ? 83  ASP   B CA  1 
ATOM   659  C C   . ASP   A 1 77  ? -31.438 -11.343 -20.597 1.00 10.36 ? 83  ASP   B C   1 
ATOM   660  O O   . ASP   A 1 77  ? -31.396 -10.450 -21.490 1.00 10.33 ? 83  ASP   B O   1 
ATOM   661  C CB  . ASP   A 1 77  ? -33.448 -12.725 -20.977 1.00 12.05 ? 83  ASP   B CB  1 
ATOM   662  C CG  . ASP   A 1 77  ? -34.940 -12.939 -20.832 1.00 14.89 ? 83  ASP   B CG  1 
ATOM   663  O OD1 . ASP   A 1 77  ? -35.381 -12.970 -19.722 1.00 19.01 ? 83  ASP   B OD1 1 
ATOM   664  O OD2 . ASP   A 1 77  ? -35.620 -13.122 -21.876 1.00 17.48 ? 83  ASP   B OD2 1 
ATOM   665  N N   . LEU   A 1 78  ? -30.360 -12.014 -20.233 1.00 9.50  ? 84  LEU   B N   1 
ATOM   666  C CA  . LEU   A 1 78  ? -29.010 -11.767 -20.770 1.00 9.74  ? 84  LEU   B CA  1 
ATOM   667  C C   . LEU   A 1 78  ? -28.280 -13.091 -20.936 1.00 10.02 ? 84  LEU   B C   1 
ATOM   668  O O   . LEU   A 1 78  ? -28.413 -14.003 -20.093 1.00 9.74  ? 84  LEU   B O   1 
ATOM   669  C CB  . LEU   A 1 78  ? -28.198 -10.908 -19.810 1.00 10.26 ? 84  LEU   B CB  1 
ATOM   670  C CG  . LEU   A 1 78  ? -28.565 -9.446  -19.676 1.00 11.72 ? 84  LEU   B CG  1 
ATOM   671  C CD1 . LEU   A 1 78  ? -27.742 -8.824  -18.570 1.00 12.18 ? 84  LEU   B CD1 1 
ATOM   672  C CD2 . LEU   A 1 78  ? -28.373 -8.734  -20.989 1.00 12.32 ? 84  LEU   B CD2 1 
ATOM   673  N N   . GLY   A 1 79  ? -27.430 -13.147 -21.958 1.00 9.16  ? 85  GLY   B N   1 
ATOM   674  C CA  . GLY   A 1 79  ? -26.449 -14.252 -22.063 1.00 10.47 ? 85  GLY   B CA  1 
ATOM   675  C C   . GLY   A 1 79  ? -25.922 -14.337 -23.477 1.00 9.40  ? 85  GLY   B C   1 
ATOM   676  O O   . GLY   A 1 79  ? -25.567 -13.314 -24.065 1.00 9.36  ? 85  GLY   B O   1 
ATOM   677  N N   A VAL   A 1 80  ? -25.823 -15.562 -24.008 0.25 9.30  ? 86  VAL   B N   1 
ATOM   678  N N   B VAL   A 1 80  ? -25.969 -15.530 -24.042 0.25 10.13 ? 86  VAL   B N   1 
ATOM   679  C CA  A VAL   A 1 80  ? -25.440 -15.858 -25.419 0.25 9.50  ? 86  VAL   B CA  1 
ATOM   680  C CA  B VAL   A 1 80  ? -25.405 -15.806 -25.380 0.25 10.90 ? 86  VAL   B CA  1 
ATOM   681  C C   A VAL   A 1 80  ? -26.450 -16.827 -26.025 0.25 9.71  ? 86  VAL   B C   1 
ATOM   682  C C   B VAL   A 1 80  ? -26.294 -16.885 -26.016 0.25 10.59 ? 86  VAL   B C   1 
ATOM   683  O O   A VAL   A 1 80  ? -27.162 -17.574 -25.301 0.25 10.29 ? 86  VAL   B O   1 
ATOM   684  O O   B VAL   A 1 80  ? -26.874 -17.692 -25.262 0.25 11.27 ? 86  VAL   B O   1 
ATOM   685  C CB  A VAL   A 1 80  ? -24.034 -16.471 -25.575 0.25 9.31  ? 86  VAL   B CB  1 
ATOM   686  C CB  B VAL   A 1 80  ? -23.924 -16.194 -25.213 0.25 12.09 ? 86  VAL   B CB  1 
ATOM   687  C CG1 A VAL   A 1 80  ? -22.979 -15.446 -25.227 0.25 8.77  ? 86  VAL   B CG1 1 
ATOM   688  C CG1 B VAL   A 1 80  ? -23.756 -17.537 -24.516 0.25 11.98 ? 86  VAL   B CG1 1 
ATOM   689  C CG2 A VAL   A 1 80  ? -23.856 -17.733 -24.735 0.25 9.32  ? 86  VAL   B CG2 1 
ATOM   690  C CG2 B VAL   A 1 80  ? -23.201 -16.162 -26.536 0.25 13.01 ? 86  VAL   B CG2 1 
ATOM   691  N N   . CYS   A 1 81  ? -26.446 -16.888 -27.342 1.00 9.89  ? 87  CYS   B N   1 
ATOM   692  C CA  . CYS   A 1 81  ? -27.262 -17.877 -28.045 1.00 10.82 ? 87  CYS   B CA  1 
ATOM   693  C C   . CYS   A 1 81  ? -26.590 -18.304 -29.343 1.00 11.15 ? 87  CYS   B C   1 
ATOM   694  O O   . CYS   A 1 81  ? -25.700 -17.583 -29.883 1.00 10.74 ? 87  CYS   B O   1 
ATOM   695  C CB  . CYS   A 1 81  ? -28.670 -17.348 -28.313 1.00 12.18 ? 87  CYS   B CB  1 
ATOM   696  S SG  . CYS   A 1 81  ? -28.754 -15.953 -29.460 1.00 12.34 ? 87  CYS   B SG  1 
ATOM   697  N N   A ARG   A 1 82  ? -27.030 -19.431 -29.873 0.25 11.50 ? 88  ARG   B N   1 
ATOM   698  N N   B ARG   A 1 82  ? -27.015 -19.442 -29.866 0.25 11.02 ? 88  ARG   B N   1 
ATOM   699  C CA  A ARG   A 1 82  ? -26.594 -19.843 -31.224 0.25 12.29 ? 88  ARG   B CA  1 
ATOM   700  C CA  B ARG   A 1 82  ? -26.553 -19.919 -31.194 0.25 11.43 ? 88  ARG   B CA  1 
ATOM   701  C C   A ARG   A 1 82  ? -27.020 -18.799 -32.255 0.25 11.71 ? 88  ARG   B C   1 
ATOM   702  C C   B ARG   A 1 82  ? -27.062 -18.948 -32.286 0.25 11.42 ? 88  ARG   B C   1 
ATOM   703  O O   A ARG   A 1 82  ? -28.083 -18.192 -32.122 0.25 11.49 ? 88  ARG   B O   1 
ATOM   704  O O   B ARG   A 1 82  ? -28.240 -18.502 -32.193 0.25 11.23 ? 88  ARG   B O   1 
ATOM   705  C CB  A ARG   A 1 82  ? -27.225 -21.171 -31.628 0.25 13.40 ? 88  ARG   B CB  1 
ATOM   706  C CB  B ARG   A 1 82  ? -27.044 -21.360 -31.391 0.25 11.78 ? 88  ARG   B CB  1 
ATOM   707  C CG  A ARG   A 1 82  ? -26.822 -22.282 -30.685 0.25 14.04 ? 88  ARG   B CG  1 
ATOM   708  C CG  B ARG   A 1 82  ? -26.400 -22.089 -32.560 0.25 11.73 ? 88  ARG   B CG  1 
ATOM   709  C CD  A ARG   A 1 82  ? -27.293 -23.628 -31.174 0.25 15.42 ? 88  ARG   B CD  1 
ATOM   710  C CD  B ARG   A 1 82  ? -26.990 -23.456 -32.794 0.25 11.38 ? 88  ARG   B CD  1 
ATOM   711  N NE  A ARG   A 1 82  ? -26.969 -24.661 -30.202 0.25 15.09 ? 88  ARG   B NE  1 
ATOM   712  N NE  B ARG   A 1 82  ? -26.840 -24.262 -31.615 0.25 11.32 ? 88  ARG   B NE  1 
ATOM   713  C CZ  A ARG   A 1 82  ? -27.808 -25.614 -29.853 0.25 15.20 ? 88  ARG   B CZ  1 
ATOM   714  C CZ  B ARG   A 1 82  ? -27.842 -24.859 -30.969 0.25 11.50 ? 88  ARG   B CZ  1 
ATOM   715  N NH1 A ARG   A 1 82  ? -29.016 -25.650 -30.386 0.25 14.58 ? 88  ARG   B NH1 1 
ATOM   716  N NH1 B ARG   A 1 82  ? -29.065 -24.811 -31.440 0.25 12.91 ? 88  ARG   B NH1 1 
ATOM   717  N NH2 A ARG   A 1 82  ? -27.433 -26.523 -28.971 0.25 17.36 ? 88  ARG   B NH2 1 
ATOM   718  N NH2 B ARG   A 1 82  ? -27.597 -25.517 -29.854 0.25 10.85 ? 88  ARG   B NH2 1 
ATOM   719  N N   . ASP   A 1 83  ? -26.241 -18.661 -33.310 1.00 12.04 ? 89  ASP   B N   1 
ATOM   720  C CA  . ASP   A 1 83  ? -26.665 -17.766 -34.413 1.00 13.65 ? 89  ASP   B CA  1 
ATOM   721  C C   . ASP   A 1 83  ? -27.946 -18.316 -35.018 1.00 14.40 ? 89  ASP   B C   1 
ATOM   722  O O   . ASP   A 1 83  ? -28.676 -17.465 -35.586 1.00 17.74 ? 89  ASP   B O   1 
ATOM   723  C CB  . ASP   A 1 83  ? -25.520 -17.671 -35.426 1.00 15.33 ? 89  ASP   B CB  1 
ATOM   724  C CG  . ASP   A 1 83  ? -25.134 -18.920 -36.176 1.00 18.83 ? 89  ASP   B CG  1 
ATOM   725  O OD1 . ASP   A 1 83  ? -25.631 -20.041 -35.864 1.00 23.67 ? 89  ASP   B OD1 1 
ATOM   726  O OD2 . ASP   A 1 83  ? -24.324 -18.741 -37.115 1.00 21.57 ? 89  ASP   B OD2 1 
ATOM   727  N N   . SER   A 1 84  ? -28.240 -19.624 -34.971 1.00 13.12 ? 90  SER   B N   1 
ATOM   728  C CA  . SER   A 1 84  ? -29.392 -20.238 -35.662 1.00 15.54 ? 90  SER   B CA  1 
ATOM   729  C C   . SER   A 1 84  ? -30.670 -20.315 -34.804 1.00 14.36 ? 90  SER   B C   1 
ATOM   730  O O   . SER   A 1 84  ? -31.588 -21.040 -35.145 1.00 15.27 ? 90  SER   B O   1 
ATOM   731  C CB  . SER   A 1 84  ? -28.963 -21.596 -36.165 1.00 17.43 ? 90  SER   B CB  1 
ATOM   732  O OG  . SER   A 1 84  ? -28.509 -22.373 -35.142 1.00 19.60 ? 90  SER   B OG  1 
ATOM   733  N N   . VAL   A 1 85  ? -30.740 -19.665 -33.636 1.00 13.01 ? 91  VAL   B N   1 
ATOM   734  C CA  . VAL   A 1 85  ? -31.972 -19.747 -32.820 1.00 13.96 ? 91  VAL   B CA  1 
ATOM   735  C C   . VAL   A 1 85  ? -33.192 -19.280 -33.612 1.00 13.68 ? 91  VAL   B C   1 
ATOM   736  O O   . VAL   A 1 85  ? -33.092 -18.332 -34.431 1.00 13.78 ? 91  VAL   B O   1 
ATOM   737  C CB  . VAL   A 1 85  ? -31.860 -19.001 -31.469 1.00 12.30 ? 91  VAL   B CB  1 
ATOM   738  C CG1 . VAL   A 1 85  ? -30.848 -19.642 -30.554 1.00 12.16 ? 91  VAL   B CG1 1 
ATOM   739  C CG2 . VAL   A 1 85  ? -31.632 -17.521 -31.591 1.00 11.75 ? 91  VAL   B CG2 1 
ATOM   740  N N   . GLN   A 1 86  ? -34.305 -19.884 -33.278 1.00 14.01 ? 92  GLN   B N   1 
ATOM   741  C CA  . GLN   A 1 86  ? -35.664 -19.456 -33.754 1.00 15.61 ? 92  GLN   B CA  1 
ATOM   742  C C   . GLN   A 1 86  ? -35.860 -17.955 -33.470 1.00 15.46 ? 92  GLN   B C   1 
ATOM   743  O O   . GLN   A 1 86  ? -35.579 -17.494 -32.351 1.00 16.23 ? 92  GLN   B O   1 
ATOM   744  C CB  . GLN   A 1 86  ? -36.684 -20.328 -33.022 1.00 18.30 ? 92  GLN   B CB  1 
ATOM   745  C CG  . GLN   A 1 86  ? -38.158 -20.008 -33.273 1.00 22.22 ? 92  GLN   B CG  1 
ATOM   746  C CD  . GLN   A 1 86  ? -39.048 -20.872 -32.388 1.00 22.58 ? 92  GLN   B CD  1 
ATOM   747  O OE1 . GLN   A 1 86  ? -38.625 -21.858 -31.755 1.00 27.16 ? 92  GLN   B OE1 1 
ATOM   748  N NE2 . GLN   A 1 86  ? -40.324 -20.496 -32.244 1.00 26.11 ? 92  GLN   B NE2 1 
ATOM   749  N N   . ARG   A 1 87  ? -36.443 -17.235 -34.422 1.00 13.75 ? 93  ARG   B N   1 
ATOM   750  C CA  . ARG   A 1 87  ? -36.740 -15.777 -34.293 1.00 13.29 ? 93  ARG   B CA  1 
ATOM   751  C C   . ARG   A 1 87  ? -38.251 -15.555 -34.162 1.00 15.63 ? 93  ARG   B C   1 
ATOM   752  O O   . ARG   A 1 87  ? -38.595 -14.569 -33.542 1.00 14.96 ? 93  ARG   B O   1 
ATOM   753  C CB  . ARG   A 1 87  ? -36.200 -14.954 -35.458 1.00 14.59 ? 93  ARG   B CB  1 
ATOM   754  C CG  . ARG   A 1 87  ? -34.736 -15.178 -35.815 1.00 13.60 ? 93  ARG   B CG  1 
ATOM   755  C CD  . ARG   A 1 87  ? -33.816 -14.975 -34.600 1.00 14.65 ? 93  ARG   B CD  1 
ATOM   756  N NE  . ARG   A 1 87  ? -32.431 -15.406 -34.899 1.00 15.49 ? 93  ARG   B NE  1 
ATOM   757  C CZ  . ARG   A 1 87  ? -31.514 -14.690 -35.513 1.00 16.25 ? 93  ARG   B CZ  1 
ATOM   758  N NH1 . ARG   A 1 87  ? -31.751 -13.470 -35.925 1.00 17.08 ? 93  ARG   B NH1 1 
ATOM   759  N NH2 . ARG   A 1 87  ? -30.358 -15.230 -35.809 1.00 17.11 ? 93  ARG   B NH2 1 
ATOM   760  N N   . LYS   A 1 88  ? -39.095 -16.401 -34.766 1.00 15.46 ? 94  LYS   B N   1 
ATOM   761  C CA  . LYS   A 1 88  ? -40.553 -16.137 -34.863 1.00 15.35 ? 94  LYS   B CA  1 
ATOM   762  C C   . LYS   A 1 88  ? -41.360 -17.035 -33.954 1.00 18.02 ? 94  LYS   B C   1 
ATOM   763  O O   . LYS   A 1 88  ? -40.976 -18.230 -33.771 1.00 20.50 ? 94  LYS   B O   1 
ATOM   764  C CB  . LYS   A 1 88  ? -41.006 -16.316 -36.308 1.00 16.68 ? 94  LYS   B CB  1 
ATOM   765  C CG  . LYS   A 1 88  ? -40.186 -15.587 -37.333 1.00 17.42 ? 94  LYS   B CG  1 
ATOM   766  C CD  . LYS   A 1 88  ? -40.076 -14.095 -37.075 1.00 18.88 ? 94  LYS   B CD  1 
ATOM   767  C CE  . LYS   A 1 88  ? -39.344 -13.436 -38.207 1.00 18.13 ? 94  LYS   B CE  1 
ATOM   768  N NZ  . LYS   A 1 88  ? -39.155 -11.982 -38.000 1.00 19.73 ? 94  LYS   B NZ  1 
ATOM   769  N N   . GLY   A 1 89  ? -42.427 -16.516 -33.389 1.00 17.42 ? 95  GLY   B N   1 
ATOM   770  C CA  . GLY   A 1 89  ? -43.301 -17.307 -32.530 1.00 18.54 ? 95  GLY   B CA  1 
ATOM   771  C C   . GLY   A 1 89  ? -42.816 -17.437 -31.112 1.00 19.34 ? 95  GLY   B C   1 
ATOM   772  O O   . GLY   A 1 89  ? -41.854 -16.683 -30.711 1.00 18.27 ? 95  GLY   B O   1 
ATOM   773  N N   . GLN   A 1 90  ? -43.440 -18.340 -30.359 1.00 19.34 ? 96  GLN   B N   1 
ATOM   774  C CA  . GLN   A 1 90  ? -43.167 -18.536 -28.929 1.00 22.39 ? 96  GLN   B CA  1 
ATOM   775  C C   . GLN   A 1 90  ? -42.122 -19.626 -28.755 1.00 19.80 ? 96  GLN   B C   1 
ATOM   776  O O   . GLN   A 1 90  ? -42.059 -20.556 -29.573 1.00 21.16 ? 96  GLN   B O   1 
ATOM   777  C CB  . GLN   A 1 90  ? -44.453 -18.934 -28.202 1.00 26.71 ? 96  GLN   B CB  1 
ATOM   778  C CG  . GLN   A 1 90  ? -45.530 -17.889 -28.334 1.00 35.24 ? 96  GLN   B CG  1 
ATOM   779  C CD  . GLN   A 1 90  ? -46.798 -18.468 -27.788 1.00 45.06 ? 96  GLN   B CD  1 
ATOM   780  O OE1 . GLN   A 1 90  ? -47.157 -18.198 -26.644 1.00 58.20 ? 96  GLN   B OE1 1 
ATOM   781  N NE2 . GLN   A 1 90  ? -47.412 -19.340 -28.578 1.00 50.36 ? 96  GLN   B NE2 1 
ATOM   782  N N   . PHE   A 1 91  ? -41.225 -19.419 -27.807 1.00 18.00 ? 97  PHE   B N   1 
ATOM   783  C CA  . PHE   A 1 91  ? -40.205 -20.424 -27.444 1.00 17.88 ? 97  PHE   B CA  1 
ATOM   784  C C   . PHE   A 1 91  ? -39.706 -20.140 -26.040 1.00 17.11 ? 97  PHE   B C   1 
ATOM   785  O O   . PHE   A 1 91  ? -39.830 -19.016 -25.510 1.00 18.72 ? 97  PHE   B O   1 
ATOM   786  C CB  . PHE   A 1 91  ? -39.048 -20.394 -28.452 1.00 17.10 ? 97  PHE   B CB  1 
ATOM   787  C CG  . PHE   A 1 91  ? -38.422 -19.025 -28.594 1.00 16.76 ? 97  PHE   B CG  1 
ATOM   788  C CD1 . PHE   A 1 91  ? -37.409 -18.619 -27.730 1.00 16.97 ? 97  PHE   B CD1 1 
ATOM   789  C CD2 . PHE   A 1 91  ? -38.764 -18.185 -29.630 1.00 16.12 ? 97  PHE   B CD2 1 
ATOM   790  C CE1 . PHE   A 1 91  ? -36.803 -17.373 -27.884 1.00 14.69 ? 97  PHE   B CE1 1 
ATOM   791  C CE2 . PHE   A 1 91  ? -38.151 -16.956 -29.792 1.00 15.35 ? 97  PHE   B CE2 1 
ATOM   792  C CZ  . PHE   A 1 91  ? -37.174 -16.552 -28.907 1.00 15.41 ? 97  PHE   B CZ  1 
ATOM   793  N N   A SER   A 1 92  ? -39.152 -21.161 -25.389 0.25 17.45 ? 98  SER   B N   1 
ATOM   794  N N   B SER   A 1 92  ? -39.139 -21.176 -25.424 0.25 16.63 ? 98  SER   B N   1 
ATOM   795  C CA  A SER   A 1 92  ? -38.515 -21.020 -24.059 0.25 17.85 ? 98  SER   B CA  1 
ATOM   796  C CA  B SER   A 1 92  ? -38.481 -21.109 -24.101 0.25 16.52 ? 98  SER   B CA  1 
ATOM   797  C C   A SER   A 1 92  ? -37.007 -20.839 -24.237 0.25 15.91 ? 98  SER   B C   1 
ATOM   798  C C   B SER   A 1 92  ? -36.994 -20.793 -24.292 0.25 15.17 ? 98  SER   B C   1 
ATOM   799  O O   A SER   A 1 92  ? -36.426 -21.428 -25.170 0.25 15.45 ? 98  SER   B O   1 
ATOM   800  O O   B SER   A 1 92  ? -36.410 -21.215 -25.329 0.25 14.88 ? 98  SER   B O   1 
ATOM   801  C CB  A SER   A 1 92  ? -38.791 -22.194 -23.175 0.25 19.98 ? 98  SER   B CB  1 
ATOM   802  C CB  B SER   A 1 92  ? -38.658 -22.395 -23.341 0.25 17.15 ? 98  SER   B CB  1 
ATOM   803  O OG  A SER   A 1 92  ? -38.619 -23.396 -23.900 0.25 23.10 ? 98  SER   B OG  1 
ATOM   804  O OG  B SER   A 1 92  ? -40.034 -22.603 -23.028 0.25 18.38 ? 98  SER   B OG  1 
ATOM   805  N N   . LEU   A 1 93  ? -36.409 -20.072 -23.333 1.00 14.88 ? 99  LEU   B N   1 
ATOM   806  C CA  . LEU   A 1 93  ? -34.959 -19.913 -23.243 1.00 15.30 ? 99  LEU   B CA  1 
ATOM   807  C C   . LEU   A 1 93  ? -34.380 -21.112 -22.530 1.00 15.65 ? 99  LEU   B C   1 
ATOM   808  O O   . LEU   A 1 93  ? -34.459 -21.230 -21.322 1.00 18.34 ? 99  LEU   B O   1 
ATOM   809  C CB  . LEU   A 1 93  ? -34.623 -18.622 -22.491 1.00 14.56 ? 99  LEU   B CB  1 
ATOM   810  C CG  . LEU   A 1 93  ? -35.084 -17.330 -23.161 1.00 17.07 ? 99  LEU   B CG  1 
ATOM   811  C CD1 . LEU   A 1 93  ? -34.699 -16.127 -22.294 1.00 18.90 ? 99  LEU   B CD1 1 
ATOM   812  C CD2 . LEU   A 1 93  ? -34.518 -17.132 -24.561 1.00 17.59 ? 99  LEU   B CD2 1 
ATOM   813  N N   . SER   A 1 94  ? -33.692 -21.982 -23.270 1.00 14.11 ? 100 SER   B N   1 
ATOM   814  C CA  . SER   A 1 94  ? -33.084 -23.213 -22.740 1.00 13.92 ? 100 SER   B CA  1 
ATOM   815  C C   . SER   A 1 94  ? -31.896 -23.574 -23.609 1.00 12.13 ? 100 SER   B C   1 
ATOM   816  O O   . SER   A 1 94  ? -31.883 -23.247 -24.793 1.00 12.38 ? 100 SER   B O   1 
ATOM   817  C CB  . SER   A 1 94  ? -34.046 -24.394 -22.728 1.00 15.84 ? 100 SER   B CB  1 
ATOM   818  O OG  . SER   A 1 94  ? -34.395 -24.743 -24.063 1.00 19.38 ? 100 SER   B OG  1 
ATOM   819  N N   . PRO   A 1 95  ? -30.942 -24.314 -23.061 1.00 11.73 ? 101 PRO   B N   1 
ATOM   820  C CA  . PRO   A 1 95  ? -29.842 -24.834 -23.880 1.00 12.16 ? 101 PRO   B CA  1 
ATOM   821  C C   . PRO   A 1 95  ? -30.347 -25.712 -25.037 1.00 12.99 ? 101 PRO   B C   1 
ATOM   822  O O   . PRO   A 1 95  ? -29.756 -25.647 -26.147 1.00 13.68 ? 101 PRO   B O   1 
ATOM   823  C CB  . PRO   A 1 95  ? -28.956 -25.595 -22.884 1.00 13.59 ? 101 PRO   B CB  1 
ATOM   824  C CG  . PRO   A 1 95  ? -29.228 -24.871 -21.549 1.00 14.10 ? 101 PRO   B CG  1 
ATOM   825  C CD  . PRO   A 1 95  ? -30.717 -24.604 -21.637 1.00 13.85 ? 101 PRO   B CD  1 
ATOM   826  N N   . GLU   A 1 96  ? -31.407 -26.482 -24.823 1.00 14.04 ? 102 GLU   B N   1 
ATOM   827  C CA  . GLU   A 1 96  ? -31.948 -27.343 -25.921 1.00 17.39 ? 102 GLU   B CA  1 
ATOM   828  C C   . GLU   A 1 96  ? -32.395 -26.474 -27.102 1.00 16.92 ? 102 GLU   B C   1 
ATOM   829  O O   . GLU   A 1 96  ? -32.307 -26.889 -28.278 1.00 18.21 ? 102 GLU   B O   1 
ATOM   830  C CB  . GLU   A 1 96  ? -33.121 -28.170 -25.399 1.00 23.64 ? 102 GLU   B CB  1 
ATOM   831  C CG  . GLU   A 1 96  ? -32.795 -28.967 -24.165 1.00 32.61 ? 102 GLU   B CG  1 
ATOM   832  C CD  . GLU   A 1 96  ? -33.219 -28.334 -22.840 1.00 39.95 ? 102 GLU   B CD  1 
ATOM   833  O OE1 . GLU   A 1 96  ? -32.365 -27.602 -22.192 1.00 24.26 ? 102 GLU   B OE1 1 
ATOM   834  O OE2 . GLU   A 1 96  ? -34.404 -28.620 -22.430 1.00 46.73 ? 102 GLU   B OE2 1 
ATOM   835  N N   . ASN   A 1 97  ? -32.840 -25.239 -26.863 1.00 14.45 ? 103 ASN   B N   1 
ATOM   836  C CA  . ASN   A 1 97  ? -33.244 -24.281 -27.926 1.00 14.01 ? 103 ASN   B CA  1 
ATOM   837  C C   . ASN   A 1 97  ? -32.097 -23.357 -28.341 1.00 13.69 ? 103 ASN   B C   1 
ATOM   838  O O   . ASN   A 1 97  ? -32.323 -22.505 -29.193 1.00 14.49 ? 103 ASN   B O   1 
ATOM   839  C CB  . ASN   A 1 97  ? -34.464 -23.451 -27.509 1.00 16.17 ? 103 ASN   B CB  1 
ATOM   840  C CG  . ASN   A 1 97  ? -35.744 -24.235 -27.483 1.00 19.19 ? 103 ASN   B CG  1 
ATOM   841  O OD1 . ASN   A 1 97  ? -35.850 -25.322 -28.089 1.00 20.15 ? 103 ASN   B OD1 1 
ATOM   842  N ND2 . ASN   A 1 97  ? -36.707 -23.738 -26.720 1.00 18.99 ? 103 ASN   B ND2 1 
ATOM   843  N N   . GLY   A 1 98  ? -30.890 -23.549 -27.809 1.00 12.70 ? 104 GLY   B N   1 
ATOM   844  C CA  . GLY   A 1 98  ? -29.735 -22.741 -28.231 1.00 10.77 ? 104 GLY   B CA  1 
ATOM   845  C C   . GLY   A 1 98  ? -29.460 -21.477 -27.427 1.00 10.47 ? 104 GLY   B C   1 
ATOM   846  O O   . GLY   A 1 98  ? -28.813 -20.582 -27.969 1.00 11.36 ? 104 GLY   B O   1 
ATOM   847  N N   . PHE   A 1 99  ? -29.938 -21.402 -26.165 1.00 11.05 ? 105 PHE   B N   1 
ATOM   848  C CA  . PHE   A 1 99  ? -29.729 -20.206 -25.328 1.00 10.69 ? 105 PHE   B CA  1 
ATOM   849  C C   . PHE   A 1 99  ? -29.030 -20.558 -24.014 1.00 10.03 ? 105 PHE   B C   1 
ATOM   850  O O   . PHE   A 1 99  ? -29.492 -21.561 -23.382 1.00 10.97 ? 105 PHE   B O   1 
ATOM   851  C CB  . PHE   A 1 99  ? -31.076 -19.545 -24.978 1.00 10.85 ? 105 PHE   B CB  1 
ATOM   852  C CG  . PHE   A 1 99  ? -31.872 -19.050 -26.163 1.00 10.60 ? 105 PHE   B CG  1 
ATOM   853  C CD1 . PHE   A 1 99  ? -32.753 -19.910 -26.801 1.00 11.15 ? 105 PHE   B CD1 1 
ATOM   854  C CD2 . PHE   A 1 99  ? -31.730 -17.754 -26.628 1.00 10.56 ? 105 PHE   B CD2 1 
ATOM   855  C CE1 . PHE   A 1 99  ? -33.499 -19.452 -27.872 1.00 12.19 ? 105 PHE   B CE1 1 
ATOM   856  C CE2 . PHE   A 1 99  ? -32.506 -17.306 -27.675 1.00 11.89 ? 105 PHE   B CE2 1 
ATOM   857  C CZ  . PHE   A 1 99  ? -33.372 -18.170 -28.305 1.00 11.34 ? 105 PHE   B CZ  1 
ATOM   858  N N   . TRP   A 1 100 ? -28.110 -19.706 -23.566 1.00 9.63  ? 106 TRP   B N   1 
ATOM   859  C CA  . TRP   A 1 100 ? -27.409 -19.816 -22.261 1.00 9.67  ? 106 TRP   B CA  1 
ATOM   860  C C   . TRP   A 1 100 ? -27.566 -18.475 -21.577 1.00 9.00  ? 106 TRP   B C   1 
ATOM   861  O O   . TRP   A 1 100 ? -26.836 -17.535 -21.937 1.00 9.20  ? 106 TRP   B O   1 
ATOM   862  C CB  . TRP   A 1 100 ? -25.947 -20.281 -22.439 1.00 9.97  ? 106 TRP   B CB  1 
ATOM   863  C CG  . TRP   A 1 100 ? -25.882 -21.657 -23.057 1.00 9.89  ? 106 TRP   B CG  1 
ATOM   864  C CD1 . TRP   A 1 100 ? -25.780 -22.850 -22.400 1.00 10.97 ? 106 TRP   B CD1 1 
ATOM   865  C CD2 . TRP   A 1 100 ? -25.871 -21.978 -24.463 1.00 10.25 ? 106 TRP   B CD2 1 
ATOM   866  N NE1 . TRP   A 1 100 ? -25.817 -23.900 -23.310 1.00 11.61 ? 106 TRP   B NE1 1 
ATOM   867  C CE2 . TRP   A 1 100 ? -25.892 -23.383 -24.567 1.00 11.33 ? 106 TRP   B CE2 1 
ATOM   868  C CE3 . TRP   A 1 100 ? -25.927 -21.210 -25.627 1.00 10.63 ? 106 TRP   B CE3 1 
ATOM   869  C CZ2 . TRP   A 1 100 ? -25.924 -24.032 -25.817 1.00 12.27 ? 106 TRP   B CZ2 1 
ATOM   870  C CZ3 . TRP   A 1 100 ? -25.964 -21.862 -26.851 1.00 12.01 ? 106 TRP   B CZ3 1 
ATOM   871  C CH2 . TRP   A 1 100 ? -26.008 -23.236 -26.940 1.00 12.23 ? 106 TRP   B CH2 1 
ATOM   872  N N   . THR   A 1 101 ? -28.598 -18.388 -20.721 1.00 9.86  ? 107 THR   B N   1 
ATOM   873  C CA  . THR   A 1 101 ? -29.078 -17.086 -20.237 1.00 9.57  ? 107 THR   B CA  1 
ATOM   874  C C   . THR   A 1 101 ? -29.441 -17.151 -18.759 1.00 9.45  ? 107 THR   B C   1 
ATOM   875  O O   . THR   A 1 101 ? -29.700 -18.211 -18.215 1.00 9.88  ? 107 THR   B O   1 
ATOM   876  C CB  . THR   A 1 101 ? -30.324 -16.646 -21.015 1.00 10.34 ? 107 THR   B CB  1 
ATOM   877  O OG1 . THR   A 1 101 ? -31.401 -17.550 -20.821 1.00 10.59 ? 107 THR   B OG1 1 
ATOM   878  C CG2 . THR   A 1 101 ? -30.022 -16.472 -22.489 1.00 9.93  ? 107 THR   B CG2 1 
ATOM   879  N N   . ILE   A 1 102 ? -29.472 -15.963 -18.153 1.00 9.42  ? 108 ILE   B N   1 
ATOM   880  C CA  . ILE   A 1 102 ? -30.115 -15.717 -16.823 1.00 10.29 ? 108 ILE   B CA  1 
ATOM   881  C C   . ILE   A 1 102 ? -31.141 -14.611 -17.021 1.00 9.96  ? 108 ILE   B C   1 
ATOM   882  O O   . ILE   A 1 102 ? -31.039 -13.844 -18.001 1.00 10.06 ? 108 ILE   B O   1 
ATOM   883  C CB  . ILE   A 1 102 ? -29.112 -15.416 -15.703 1.00 10.76 ? 108 ILE   B CB  1 
ATOM   884  C CG1 . ILE   A 1 102 ? -28.415 -14.073 -15.878 1.00 10.91 ? 108 ILE   B CG1 1 
ATOM   885  C CG2 . ILE   A 1 102 ? -28.105 -16.554 -15.597 1.00 11.60 ? 108 ILE   B CG2 1 
ATOM   886  C CD1 . ILE   A 1 102 ? -27.597 -13.587 -14.701 1.00 12.15 ? 108 ILE   B CD1 1 
ATOM   887  N N   . TRP   A 1 103 ? -31.984 -14.464 -16.018 1.00 9.97  ? 109 TRP   B N   1 
ATOM   888  C CA  . TRP   A 1 103 ? -33.010 -13.414 -16.082 1.00 10.29 ? 109 TRP   B CA  1 
ATOM   889  C C   . TRP   A 1 103 ? -33.437 -12.943 -14.708 1.00 10.54 ? 109 TRP   B C   1 
ATOM   890  O O   . TRP   A 1 103 ? -33.228 -13.608 -13.682 1.00 11.37 ? 109 TRP   B O   1 
ATOM   891  C CB  . TRP   A 1 103 ? -34.189 -13.827 -16.922 1.00 14.41 ? 109 TRP   B CB  1 
ATOM   892  C CG  . TRP   A 1 103 ? -34.976 -14.949 -16.382 1.00 15.67 ? 109 TRP   B CG  1 
ATOM   893  C CD1 . TRP   A 1 103 ? -35.846 -14.906 -15.332 1.00 16.06 ? 109 TRP   B CD1 1 
ATOM   894  C CD2 . TRP   A 1 103 ? -35.119 -16.211 -17.018 1.00 16.76 ? 109 TRP   B CD2 1 
ATOM   895  N NE1 . TRP   A 1 103 ? -36.517 -16.088 -15.246 1.00 19.82 ? 109 TRP   B NE1 1 
ATOM   896  C CE2 . TRP   A 1 103 ? -36.091 -16.906 -16.254 1.00 16.48 ? 109 TRP   B CE2 1 
ATOM   897  C CE3 . TRP   A 1 103 ? -34.534 -16.808 -18.142 1.00 18.58 ? 109 TRP   B CE3 1 
ATOM   898  C CZ2 . TRP   A 1 103 ? -36.491 -18.199 -16.584 1.00 19.63 ? 109 TRP   B CZ2 1 
ATOM   899  C CZ3 . TRP   A 1 103 ? -34.960 -18.073 -18.460 1.00 18.77 ? 109 TRP   B CZ3 1 
ATOM   900  C CH2 . TRP   A 1 103 ? -35.917 -18.743 -17.709 1.00 19.10 ? 109 TRP   B CH2 1 
ATOM   901  N N   . LEU   A 1 104 ? -34.038 -11.728 -14.744 1.00 10.62 ? 110 LEU   B N   1 
ATOM   902  C CA  . LEU   A 1 104 ? -34.805 -11.188 -13.615 1.00 10.62 ? 110 LEU   B CA  1 
ATOM   903  C C   . LEU   A 1 104 ? -36.263 -11.178 -14.032 1.00 10.66 ? 110 LEU   B C   1 
ATOM   904  O O   . LEU   A 1 104 ? -36.577 -10.683 -15.117 1.00 10.64 ? 110 LEU   B O   1 
ATOM   905  C CB  . LEU   A 1 104 ? -34.372 -9.770  -13.285 1.00 11.30 ? 110 LEU   B CB  1 
ATOM   906  C CG  . LEU   A 1 104 ? -35.219 -9.003  -12.273 1.00 11.66 ? 110 LEU   B CG  1 
ATOM   907  C CD1 . LEU   A 1 104 ? -35.204 -9.683  -10.911 1.00 13.25 ? 110 LEU   B CD1 1 
ATOM   908  C CD2 . LEU   A 1 104 ? -34.750 -7.570  -12.189 1.00 12.86 ? 110 LEU   B CD2 1 
ATOM   909  N N   . TRP   A 1 105 ? -37.155 -11.629 -13.135 1.00 11.96 ? 111 TRP   B N   1 
ATOM   910  C CA  . TRP   A 1 105 ? -38.600 -11.597 -13.401 1.00 12.66 ? 111 TRP   B CA  1 
ATOM   911  C C   . TRP   A 1 105 ? -39.339 -11.648 -12.076 1.00 13.77 ? 111 TRP   B C   1 
ATOM   912  O O   . TRP   A 1 105 ? -39.029 -12.545 -11.271 1.00 12.98 ? 111 TRP   B O   1 
ATOM   913  C CB  . TRP   A 1 105 ? -38.934 -12.829 -14.237 1.00 16.15 ? 111 TRP   B CB  1 
ATOM   914  C CG  . TRP   A 1 105 ? -40.366 -13.118 -14.341 1.00 20.38 ? 111 TRP   B CG  1 
ATOM   915  C CD1 . TRP   A 1 105 ? -41.111 -14.126 -13.786 1.00 21.09 ? 111 TRP   B CD1 1 
ATOM   916  C CD2 . TRP   A 1 105 ? -41.224 -12.328 -15.126 1.00 20.41 ? 111 TRP   B CD2 1 
ATOM   917  N NE1 . TRP   A 1 105 ? -42.392 -14.001 -14.195 1.00 22.72 ? 111 TRP   B NE1 1 
ATOM   918  C CE2 . TRP   A 1 105 ? -42.496 -12.914 -15.012 1.00 19.00 ? 111 TRP   B CE2 1 
ATOM   919  C CE3 . TRP   A 1 105 ? -41.041 -11.195 -15.903 1.00 19.15 ? 111 TRP   B CE3 1 
ATOM   920  C CZ2 . TRP   A 1 105 ? -43.601 -12.416 -15.675 1.00 26.65 ? 111 TRP   B CZ2 1 
ATOM   921  C CZ3 . TRP   A 1 105 ? -42.135 -10.700 -16.566 1.00 26.39 ? 111 TRP   B CZ3 1 
ATOM   922  C CH2 . TRP   A 1 105 ? -43.402 -11.262 -16.406 1.00 25.14 ? 111 TRP   B CH2 1 
ATOM   923  N N   . GLN   A 1 106 ? -40.227 -10.681 -11.811 1.00 12.53 ? 112 GLN   B N   1 
ATOM   924  C CA  . GLN   A 1 106 ? -41.072 -10.721 -10.582 1.00 13.37 ? 112 GLN   B CA  1 
ATOM   925  C C   . GLN   A 1 106 ? -40.192 -10.915 -9.365  1.00 13.79 ? 112 GLN   B C   1 
ATOM   926  O O   . GLN   A 1 106 ? -40.540 -11.767 -8.470  1.00 15.47 ? 112 GLN   B O   1 
ATOM   927  C CB  . GLN   A 1 106 ? -42.163 -11.778 -10.751 1.00 14.54 ? 112 GLN   B CB  1 
ATOM   928  C CG  . GLN   A 1 106 ? -43.105 -11.445 -11.895 1.00 16.16 ? 112 GLN   B CG  1 
ATOM   929  C CD  . GLN   A 1 106 ? -44.392 -12.229 -11.957 1.00 18.24 ? 112 GLN   B CD  1 
ATOM   930  O OE1 . GLN   A 1 106 ? -45.341 -11.859 -12.692 1.00 20.03 ? 112 GLN   B OE1 1 
ATOM   931  N NE2 . GLN   A 1 106 ? -44.437 -13.318 -11.219 1.00 16.12 ? 112 GLN   B NE2 1 
ATOM   932  N N   . ASP   A 1 107 ? -39.174 -10.100 -9.229  1.00 14.81 ? 113 ASP   B N   1 
ATOM   933  C CA  . ASP   A 1 107 ? -38.349 -10.001 -8.016  1.00 17.60 ? 113 ASP   B CA  1 
ATOM   934  C C   . ASP   A 1 107 ? -37.543 -11.284 -7.739  1.00 19.10 ? 113 ASP   B C   1 
ATOM   935  O O   . ASP   A 1 107 ? -36.939 -11.361 -6.616  1.00 25.76 ? 113 ASP   B O   1 
ATOM   936  C CB  . ASP   A 1 107 ? -39.295 -9.793  -6.825  1.00 21.58 ? 113 ASP   B CB  1 
ATOM   937  C CG  . ASP   A 1 107 ? -38.659 -9.170  -5.629  1.00 28.53 ? 113 ASP   B CG  1 
ATOM   938  O OD1 . ASP   A 1 107 ? -37.754 -8.303  -5.798  1.00 32.86 ? 113 ASP   B OD1 1 
ATOM   939  O OD2 . ASP   A 1 107 ? -39.162 -9.497  -4.507  1.00 38.12 ? 113 ASP   B OD2 1 
ATOM   940  N N   . SER   A 1 108 ? -37.426 -12.198 -8.694  1.00 15.21 ? 114 SER   B N   1 
ATOM   941  C CA  . SER   A 1 108 ? -36.482 -13.350 -8.556  1.00 16.60 ? 114 SER   B CA  1 
ATOM   942  C C   . SER   A 1 108 ? -35.557 -13.458 -9.774  1.00 14.14 ? 114 SER   B C   1 
ATOM   943  O O   . SER   A 1 108 ? -35.931 -13.118 -10.951 1.00 14.40 ? 114 SER   B O   1 
ATOM   944  C CB  . SER   A 1 108 ? -37.224 -14.590 -8.210  1.00 22.20 ? 114 SER   B CB  1 
ATOM   945  O OG  . SER   A 1 108 ? -37.968 -15.088 -9.266  1.00 31.48 ? 114 SER   B OG  1 
ATOM   946  N N   . TYR   A 1 109 ? -34.362 -13.933 -9.518  1.00 12.85 ? 115 TYR   B N   1 
ATOM   947  C CA  . TYR   A 1 109 ? -33.341 -14.196 -10.559 1.00 11.95 ? 115 TYR   B CA  1 
ATOM   948  C C   . TYR   A 1 109 ? -33.297 -15.691 -10.798 1.00 11.47 ? 115 TYR   B C   1 
ATOM   949  O O   . TYR   A 1 109 ? -33.301 -16.505 -9.825  1.00 12.39 ? 115 TYR   B O   1 
ATOM   950  C CB  . TYR   A 1 109 ? -31.985 -13.681 -10.111 1.00 12.31 ? 115 TYR   B CB  1 
ATOM   951  C CG  . TYR   A 1 109 ? -31.919 -12.169 -9.866  1.00 12.47 ? 115 TYR   B CG  1 
ATOM   952  C CD1 . TYR   A 1 109 ? -32.176 -11.637 -8.609  1.00 13.05 ? 115 TYR   B CD1 1 
ATOM   953  C CD2 . TYR   A 1 109 ? -31.564 -11.299 -10.881 1.00 11.69 ? 115 TYR   B CD2 1 
ATOM   954  C CE1 . TYR   A 1 109 ? -32.067 -10.269 -8.378  1.00 13.46 ? 115 TYR   B CE1 1 
ATOM   955  C CE2 . TYR   A 1 109 ? -31.511 -9.935  -10.662 1.00 11.99 ? 115 TYR   B CE2 1 
ATOM   956  C CZ  . TYR   A 1 109 ? -31.768 -9.427  -9.407  1.00 12.62 ? 115 TYR   B CZ  1 
ATOM   957  O OH  . TYR   A 1 109 ? -31.736 -8.074  -9.175  1.00 14.15 ? 115 TYR   B OH  1 
ATOM   958  N N   A GLU   A 1 110 ? -33.243 -16.099 -12.067 0.25 11.58 ? 116 GLU   B N   1 
ATOM   959  N N   B GLU   A 1 110 ? -33.272 -16.089 -12.071 0.25 11.48 ? 116 GLU   B N   1 
ATOM   960  C CA  A GLU   A 1 110 ? -33.252 -17.536 -12.458 0.25 12.05 ? 116 GLU   B CA  1 
ATOM   961  C CA  B GLU   A 1 110 ? -33.288 -17.513 -12.508 0.25 11.82 ? 116 GLU   B CA  1 
ATOM   962  C C   A GLU   A 1 110 ? -32.332 -17.774 -13.659 0.25 10.98 ? 116 GLU   B C   1 
ATOM   963  C C   B GLU   A 1 110 ? -32.213 -17.718 -13.584 0.25 10.69 ? 116 GLU   B C   1 
ATOM   964  O O   A GLU   A 1 110 ? -32.283 -16.925 -14.549 0.25 11.19 ? 116 GLU   B O   1 
ATOM   965  O O   B GLU   A 1 110 ? -31.865 -16.749 -14.264 0.25 10.77 ? 116 GLU   B O   1 
ATOM   966  C CB  A GLU   A 1 110 ? -34.665 -18.025 -12.763 0.25 13.86 ? 116 GLU   B CB  1 
ATOM   967  C CB  B GLU   A 1 110 ? -34.666 -17.921 -13.026 0.25 13.50 ? 116 GLU   B CB  1 
ATOM   968  C CG  A GLU   A 1 110 ? -35.586 -17.976 -11.545 0.25 15.40 ? 116 GLU   B CG  1 
ATOM   969  C CG  B GLU   A 1 110 ? -35.779 -17.777 -11.983 0.25 15.59 ? 116 GLU   B CG  1 
ATOM   970  C CD  A GLU   A 1 110 ? -37.041 -18.262 -11.868 0.25 17.34 ? 116 GLU   B CD  1 
ATOM   971  C CD  B GLU   A 1 110 ? -35.954 -18.964 -11.040 0.25 16.64 ? 116 GLU   B CD  1 
ATOM   972  O OE1 A GLU   A 1 110 ? -37.479 -17.877 -12.961 0.25 19.44 ? 116 GLU   B OE1 1 
ATOM   973  O OE1 B GLU   A 1 110 ? -35.574 -20.086 -11.417 0.25 20.79 ? 116 GLU   B OE1 1 
ATOM   974  O OE2 A GLU   A 1 110 ? -37.735 -18.857 -11.022 0.25 17.60 ? 116 GLU   B OE2 1 
ATOM   975  O OE2 B GLU   A 1 110 ? -36.497 -18.766 -9.943  0.25 22.75 ? 116 GLU   B OE2 1 
ATOM   976  N N   . ALA   A 1 111 ? -31.695 -18.945 -13.705 1.00 11.22 ? 117 ALA   B N   1 
ATOM   977  C CA  . ALA   A 1 111 ? -30.935 -19.382 -14.878 1.00 10.90 ? 117 ALA   B CA  1 
ATOM   978  C C   . ALA   A 1 111 ? -31.879 -20.122 -15.819 1.00 11.20 ? 117 ALA   B C   1 
ATOM   979  O O   . ALA   A 1 111 ? -32.764 -20.917 -15.402 1.00 11.57 ? 117 ALA   B O   1 
ATOM   980  C CB  . ALA   A 1 111 ? -29.774 -20.292 -14.484 1.00 11.12 ? 117 ALA   B CB  1 
ATOM   981  N N   . GLY   A 1 112 ? -31.712 -19.855 -17.115 1.00 11.20 ? 118 GLY   B N   1 
ATOM   982  C CA  . GLY   A 1 112 ? -32.511 -20.415 -18.206 1.00 12.20 ? 118 GLY   B CA  1 
ATOM   983  C C   . GLY   A 1 112 ? -32.169 -21.860 -18.506 1.00 13.17 ? 118 GLY   B C   1 
ATOM   984  O O   . GLY   A 1 112 ? -31.857 -22.204 -19.612 1.00 14.84 ? 118 GLY   B O   1 
ATOM   985  N N   . THR   A 1 113 ? -32.189 -22.734 -17.522 1.00 14.50 ? 119 THR   B N   1 
ATOM   986  C CA  . THR   A 1 113 ? -32.185 -24.200 -17.726 1.00 16.36 ? 119 THR   B CA  1 
ATOM   987  C C   . THR   A 1 113 ? -33.617 -24.663 -17.981 1.00 17.14 ? 119 THR   B C   1 
ATOM   988  O O   . THR   A 1 113 ? -34.542 -23.887 -17.792 1.00 18.85 ? 119 THR   B O   1 
ATOM   989  C CB  . THR   A 1 113 ? -31.564 -24.832 -16.495 1.00 13.99 ? 119 THR   B CB  1 
ATOM   990  O OG1 . THR   A 1 113 ? -32.251 -24.363 -15.324 1.00 13.85 ? 119 THR   B OG1 1 
ATOM   991  C CG2 . THR   A 1 113 ? -30.116 -24.560 -16.281 1.00 15.58 ? 119 THR   B CG2 1 
ATOM   992  N N   . SER   A 1 114 ? -33.803 -25.950 -18.296 1.00 20.51 ? 120 SER   B N   1 
ATOM   993  C CA  . SER   A 1 114 ? -35.154 -26.520 -18.475 1.00 24.78 ? 120 SER   B CA  1 
ATOM   994  C C   . SER   A 1 114 ? -35.335 -27.707 -17.520 1.00 23.62 ? 120 SER   B C   1 
ATOM   995  O O   . SER   A 1 114 ? -34.689 -28.742 -17.690 1.00 25.85 ? 120 SER   B O   1 
ATOM   996  C CB  . SER   A 1 114 ? -35.356 -26.926 -19.930 1.00 30.24 ? 120 SER   B CB  1 
ATOM   997  O OG  . SER   A 1 114 ? -36.699 -27.369 -20.125 1.00 32.86 ? 120 SER   B OG  1 
ATOM   998  N N   . PRO   A 1 115 ? -36.108 -27.578 -16.429 1.00 22.50 ? 121 PRO   B N   1 
ATOM   999  C CA  . PRO   A 1 115 ? -36.744 -26.336 -16.016 1.00 21.10 ? 121 PRO   B CA  1 
ATOM   1000 C C   . PRO   A 1 115 ? -35.759 -25.336 -15.379 1.00 17.43 ? 121 PRO   B C   1 
ATOM   1001 O O   . PRO   A 1 115 ? -34.604 -25.653 -15.111 1.00 16.68 ? 121 PRO   B O   1 
ATOM   1002 C CB  . PRO   A 1 115 ? -37.763 -26.789 -14.970 1.00 25.39 ? 121 PRO   B CB  1 
ATOM   1003 C CG  . PRO   A 1 115 ? -37.078 -27.971 -14.319 1.00 23.93 ? 121 PRO   B CG  1 
ATOM   1004 C CD  . PRO   A 1 115 ? -36.313 -28.658 -15.440 1.00 24.13 ? 121 PRO   B CD  1 
ATOM   1005 N N   . GLN   A 1 116 ? -36.216 -24.111 -15.217 1.00 18.27 ? 122 GLN   B N   1 
ATOM   1006 C CA  . GLN   A 1 116 ? -35.370 -22.992 -14.724 1.00 17.69 ? 122 GLN   B CA  1 
ATOM   1007 C C   . GLN   A 1 116 ? -34.816 -23.272 -13.313 1.00 15.18 ? 122 GLN   B C   1 
ATOM   1008 O O   . GLN   A 1 116 ? -35.453 -24.000 -12.522 1.00 16.68 ? 122 GLN   B O   1 
ATOM   1009 C CB  . GLN   A 1 116 ? -36.066 -21.631 -14.817 1.00 22.15 ? 122 GLN   B CB  1 
ATOM   1010 C CG  . GLN   A 1 116 ? -37.154 -21.355 -13.802 1.00 27.36 ? 122 GLN   B CG  1 
ATOM   1011 C CD  . GLN   A 1 116 ? -38.537 -21.662 -14.317 1.00 40.16 ? 122 GLN   B CD  1 
ATOM   1012 O OE1 . GLN   A 1 116 ? -38.756 -22.588 -15.114 1.00 44.10 ? 122 GLN   B OE1 1 
ATOM   1013 N NE2 . GLN   A 1 116 ? -39.493 -20.893 -13.821 1.00 47.07 ? 122 GLN   B NE2 1 
ATOM   1014 N N   . THR   A 1 117 ? -33.680 -22.663 -13.009 1.00 13.53 ? 123 THR   B N   1 
ATOM   1015 C CA  . THR   A 1 117 ? -32.953 -22.835 -11.750 1.00 11.69 ? 123 THR   B CA  1 
ATOM   1016 C C   . THR   A 1 117 ? -32.987 -21.533 -10.974 1.00 12.05 ? 123 THR   B C   1 
ATOM   1017 O O   . THR   A 1 117 ? -32.526 -20.495 -11.471 1.00 13.65 ? 123 THR   B O   1 
ATOM   1018 C CB  . THR   A 1 117 ? -31.524 -23.305 -12.025 1.00 11.72 ? 123 THR   B CB  1 
ATOM   1019 O OG1 . THR   A 1 117 ? -31.584 -24.539 -12.751 1.00 13.40 ? 123 THR   B OG1 1 
ATOM   1020 C CG2 . THR   A 1 117 ? -30.758 -23.458 -10.733 1.00 12.86 ? 123 THR   B CG2 1 
ATOM   1021 N N   . THR   A 1 118 ? -33.411 -21.577 -9.720  1.00 12.85 ? 124 THR   B N   1 
ATOM   1022 C CA  . THR   A 1 118 ? -33.344 -20.428 -8.795  1.00 13.47 ? 124 THR   B CA  1 
ATOM   1023 C C   . THR   A 1 118 ? -31.916 -19.979 -8.537  1.00 13.33 ? 124 THR   B C   1 
ATOM   1024 O O   . THR   A 1 118 ? -31.015 -20.837 -8.281  1.00 15.33 ? 124 THR   B O   1 
ATOM   1025 C CB  . THR   A 1 118 ? -33.963 -20.879 -7.458  1.00 16.46 ? 124 THR   B CB  1 
ATOM   1026 O OG1 . THR   A 1 118 ? -35.337 -21.148 -7.683  1.00 19.78 ? 124 THR   B OG1 1 
ATOM   1027 C CG2 . THR   A 1 118 ? -33.697 -19.866 -6.366  1.00 19.79 ? 124 THR   B CG2 1 
ATOM   1028 N N   . LEU   A 1 119 ? -31.633 -18.673 -8.622  1.00 11.78 ? 125 LEU   B N   1 
ATOM   1029 C CA  . LEU   A 1 119 ? -30.324 -18.080 -8.331  1.00 11.34 ? 125 LEU   B CA  1 
ATOM   1030 C C   . LEU   A 1 119 ? -30.395 -17.491 -6.913  1.00 13.94 ? 125 LEU   B C   1 
ATOM   1031 O O   . LEU   A 1 119 ? -31.524 -17.162 -6.437  1.00 18.82 ? 125 LEU   B O   1 
ATOM   1032 C CB  . LEU   A 1 119 ? -29.912 -17.010 -9.344  1.00 11.86 ? 125 LEU   B CB  1 
ATOM   1033 C CG  . LEU   A 1 119 ? -29.850 -17.536 -10.784 1.00 11.30 ? 125 LEU   B CG  1 
ATOM   1034 C CD1 . LEU   A 1 119 ? -29.606 -16.423 -11.773 1.00 12.01 ? 125 LEU   B CD1 1 
ATOM   1035 C CD2 . LEU   A 1 119 ? -28.736 -18.596 -10.917 1.00 12.34 ? 125 LEU   B CD2 1 
ATOM   1036 N N   . HIS   A 1 120 ? -29.270 -17.397 -6.234  1.00 14.26 ? 126 HIS   B N   1 
ATOM   1037 C CA  . HIS   A 1 120 ? -29.154 -16.923 -4.834  1.00 13.83 ? 126 HIS   B CA  1 
ATOM   1038 C C   . HIS   A 1 120 ? -28.316 -15.658 -4.898  1.00 15.81 ? 126 HIS   B C   1 
ATOM   1039 O O   . HIS   A 1 120 ? -27.073 -15.736 -4.879  1.00 20.88 ? 126 HIS   B O   1 
ATOM   1040 C CB  . HIS   A 1 120 ? -28.513 -18.034 -3.988  1.00 14.86 ? 126 HIS   B CB  1 
ATOM   1041 C CG  . HIS   A 1 120 ? -29.295 -19.310 -3.957  1.00 14.63 ? 126 HIS   B CG  1 
ATOM   1042 N ND1 . HIS   A 1 120 ? -29.003 -20.390 -4.776  1.00 17.79 ? 126 HIS   B ND1 1 
ATOM   1043 C CD2 . HIS   A 1 120 ? -30.359 -19.676 -3.233  1.00 17.40 ? 126 HIS   B CD2 1 
ATOM   1044 C CE1 . HIS   A 1 120 ? -29.880 -21.344 -4.546  1.00 18.55 ? 126 HIS   B CE1 1 
ATOM   1045 N NE2 . HIS   A 1 120 ? -30.681 -20.972 -3.572  1.00 17.30 ? 126 HIS   B NE2 1 
ATOM   1046 N N   . ILE   A 1 121 ? -28.943 -14.514 -5.014  1.00 18.10 ? 127 ILE   B N   1 
ATOM   1047 C CA  . ILE   A 1 121 ? -28.243 -13.207 -5.131  1.00 19.84 ? 127 ILE   B CA  1 
ATOM   1048 C C   . ILE   A 1 121 ? -28.604 -12.374 -3.877  1.00 19.88 ? 127 ILE   B C   1 
ATOM   1049 O O   . ILE   A 1 121 ? -29.778 -12.154 -3.647  1.00 26.16 ? 127 ILE   B O   1 
ATOM   1050 C CB  . ILE   A 1 121 ? -28.664 -12.556 -6.465  1.00 20.95 ? 127 ILE   B CB  1 
ATOM   1051 C CG1 . ILE   A 1 121 ? -28.202 -13.408 -7.668  1.00 20.07 ? 127 ILE   B CG1 1 
ATOM   1052 C CG2 . ILE   A 1 121 ? -28.132 -11.134 -6.486  1.00 26.88 ? 127 ILE   B CG2 1 
ATOM   1053 C CD1 . ILE   A 1 121 ? -28.373 -12.758 -9.012  1.00 20.43 ? 127 ILE   B CD1 1 
ATOM   1054 N N   . GLN   A 1 122 ? -27.622 -12.050 -3.054  1.00 23.71 ? 128 GLN   B N   1 
ATOM   1055 C CA  . GLN   A 1 122 ? -27.861 -11.226 -1.825  1.00 24.55 ? 128 GLN   B CA  1 
ATOM   1056 C C   . GLN   A 1 122 ? -27.873 -9.726  -2.192  1.00 22.96 ? 128 GLN   B C   1 
ATOM   1057 O O   . GLN   A 1 122 ? -28.662 -8.961  -1.583  1.00 23.61 ? 128 GLN   B O   1 
ATOM   1058 C CB  . GLN   A 1 122 ? -26.772 -11.579 -0.797  1.00 28.67 ? 128 GLN   B CB  1 
ATOM   1059 C CG  . GLN   A 1 122 ? -26.778 -10.737 0.483   1.00 37.50 ? 128 GLN   B CG  1 
ATOM   1060 C CD  . GLN   A 1 122 ? -28.037 -10.854 1.321   1.00 43.41 ? 128 GLN   B CD  1 
ATOM   1061 O OE1 . GLN   A 1 122 ? -28.807 -11.811 1.225   1.00 46.06 ? 128 GLN   B OE1 1 
ATOM   1062 N NE2 . GLN   A 1 122 ? -28.270 -9.856  2.161   1.00 47.07 ? 128 GLN   B NE2 1 
ATOM   1063 N N   . VAL   A 1 123 ? -27.082 -9.325  -3.173  1.00 19.95 ? 129 VAL   B N   1 
ATOM   1064 C CA  . VAL   A 1 123 ? -26.947 -7.888  -3.584  1.00 18.51 ? 129 VAL   B CA  1 
ATOM   1065 C C   . VAL   A 1 123 ? -27.506 -7.716  -4.999  1.00 17.92 ? 129 VAL   B C   1 
ATOM   1066 O O   . VAL   A 1 123 ? -26.882 -8.200  -5.942  1.00 16.14 ? 129 VAL   B O   1 
ATOM   1067 C CB  . VAL   A 1 123 ? -25.477 -7.463  -3.552  1.00 20.50 ? 129 VAL   B CB  1 
ATOM   1068 C CG1 . VAL   A 1 123 ? -25.257 -6.027  -4.047  1.00 20.60 ? 129 VAL   B CG1 1 
ATOM   1069 C CG2 . VAL   A 1 123 ? -24.877 -7.605  -2.151  1.00 22.26 ? 129 VAL   B CG2 1 
ATOM   1070 N N   . PRO   A 1 124 ? -28.725 -7.175  -5.210  1.00 16.47 ? 130 PRO   B N   1 
ATOM   1071 C CA  . PRO   A 1 124 ? -29.298 -7.061  -6.553  1.00 17.20 ? 130 PRO   B CA  1 
ATOM   1072 C C   . PRO   A 1 124 ? -28.309 -6.370  -7.465  1.00 16.18 ? 130 PRO   B C   1 
ATOM   1073 O O   . PRO   A 1 124 ? -27.800 -5.318  -7.157  1.00 16.10 ? 130 PRO   B O   1 
ATOM   1074 C CB  . PRO   A 1 124 ? -30.567 -6.228  -6.302  1.00 20.04 ? 130 PRO   B CB  1 
ATOM   1075 C CG  . PRO   A 1 124 ? -30.956 -6.688  -4.882  1.00 19.09 ? 130 PRO   B CG  1 
ATOM   1076 C CD  . PRO   A 1 124 ? -29.667 -6.733  -4.159  1.00 19.90 ? 130 PRO   B CD  1 
ATOM   1077 N N   . PRO   A 1 125 ? -27.900 -6.991  -8.580  1.00 13.77 ? 131 PRO   B N   1 
ATOM   1078 C CA  . PRO   A 1 125 ? -26.903 -6.395  -9.438  1.00 14.00 ? 131 PRO   B CA  1 
ATOM   1079 C C   . PRO   A 1 125 ? -27.394 -5.180  -10.224 1.00 13.65 ? 131 PRO   B C   1 
ATOM   1080 O O   . PRO   A 1 125 ? -28.491 -5.245  -10.755 1.00 14.40 ? 131 PRO   B O   1 
ATOM   1081 C CB  . PRO   A 1 125 ? -26.487 -7.553  -10.368 1.00 15.74 ? 131 PRO   B CB  1 
ATOM   1082 C CG  . PRO   A 1 125 ? -27.550 -8.557  -10.256 1.00 17.17 ? 131 PRO   B CG  1 
ATOM   1083 C CD  . PRO   A 1 125 ? -28.275 -8.361  -8.961  1.00 14.49 ? 131 PRO   B CD  1 
ATOM   1084 N N   . CYS   A 1 126 ? -26.520 -4.205  -10.375 1.00 14.20 ? 132 CYS   B N   1 
ATOM   1085 C CA  . CYS   A 1 126 ? -26.728 -3.090  -11.336 1.00 15.23 ? 132 CYS   B CA  1 
ATOM   1086 C C   . CYS   A 1 126 ? -25.938 -3.334  -12.620 1.00 14.14 ? 132 CYS   B C   1 
ATOM   1087 O O   . CYS   A 1 126 ? -26.260 -2.753  -13.658 1.00 12.51 ? 132 CYS   B O   1 
ATOM   1088 C CB  . CYS   A 1 126 ? -26.310 -1.756  -10.742 1.00 18.26 ? 132 CYS   B CB  1 
ATOM   1089 S SG  . CYS   A 1 126 ? -27.343 -1.304  -9.321  1.00 26.10 ? 132 CYS   B SG  1 
ATOM   1090 N N   A GLN   A 1 127 ? -24.861 -4.135  -12.572 0.25 13.72 ? 133 GLN   B N   1 
ATOM   1091 N N   B GLN   A 1 127 ? -24.969 -4.248  -12.541 0.25 13.82 ? 133 GLN   B N   1 
ATOM   1092 C CA  A GLN   A 1 127 ? -24.106 -4.543  -13.791 0.25 14.73 ? 133 GLN   B CA  1 
ATOM   1093 C CA  B GLN   A 1 127 ? -24.067 -4.580  -13.663 0.25 15.21 ? 133 GLN   B CA  1 
ATOM   1094 C C   A GLN   A 1 127 ? -23.726 -6.021  -13.658 0.25 13.79 ? 133 GLN   B C   1 
ATOM   1095 C C   B GLN   A 1 127 ? -23.830 -6.091  -13.611 0.25 13.89 ? 133 GLN   B C   1 
ATOM   1096 O O   A GLN   A 1 127 ? -23.288 -6.459  -12.561 0.25 12.59 ? 133 GLN   B O   1 
ATOM   1097 O O   B GLN   A 1 127 ? -23.702 -6.659  -12.497 0.25 12.44 ? 133 GLN   B O   1 
ATOM   1098 C CB  A GLN   A 1 127 ? -22.834 -3.730  -14.067 0.25 16.19 ? 133 GLN   B CB  1 
ATOM   1099 C CB  B GLN   A 1 127 ? -22.801 -3.731  -13.569 0.25 17.10 ? 133 GLN   B CB  1 
ATOM   1100 C CG  A GLN   A 1 127 ? -23.047 -2.242  -14.312 0.25 17.76 ? 133 GLN   B CG  1 
ATOM   1101 C CG  B GLN   A 1 127 ? -23.055 -2.255  -13.831 0.25 19.24 ? 133 GLN   B CG  1 
ATOM   1102 C CD  A GLN   A 1 127 ? -22.912 -1.471  -13.021 0.25 19.70 ? 133 GLN   B CD  1 
ATOM   1103 C CD  B GLN   A 1 127 ? -21.813 -1.489  -14.206 0.25 19.86 ? 133 GLN   B CD  1 
ATOM   1104 O OE1 A GLN   A 1 127 ? -22.146 -1.854  -12.137 0.25 20.18 ? 133 GLN   B OE1 1 
ATOM   1105 O OE1 B GLN   A 1 127 ? -20.702 -2.005  -14.160 0.25 23.71 ? 133 GLN   B OE1 1 
ATOM   1106 N NE2 A GLN   A 1 127 ? -23.688 -0.401  -12.891 0.25 20.18 ? 133 GLN   B NE2 1 
ATOM   1107 N NE2 B GLN   A 1 127 ? -21.998 -0.241  -14.576 0.25 22.82 ? 133 GLN   B NE2 1 
ATOM   1108 N N   . ILE   A 1 128 ? -23.860 -6.718  -14.790 1.00 12.48 ? 134 ILE   B N   1 
ATOM   1109 C CA  . ILE   A 1 128 ? -23.679 -8.190  -14.954 1.00 12.17 ? 134 ILE   B CA  1 
ATOM   1110 C C   . ILE   A 1 128 ? -22.473 -8.368  -15.872 1.00 12.70 ? 134 ILE   B C   1 
ATOM   1111 O O   . ILE   A 1 128 ? -22.387 -7.759  -16.960 1.00 11.88 ? 134 ILE   B O   1 
ATOM   1112 C CB  . ILE   A 1 128 ? -24.926 -8.849  -15.537 1.00 13.13 ? 134 ILE   B CB  1 
ATOM   1113 C CG1 . ILE   A 1 128 ? -26.200 -8.642  -14.693 1.00 15.84 ? 134 ILE   B CG1 1 
ATOM   1114 C CG2 . ILE   A 1 128 ? -24.650 -10.327 -15.800 1.00 14.14 ? 134 ILE   B CG2 1 
ATOM   1115 C CD1 . ILE   A 1 128 ? -26.216 -9.385  -13.475 1.00 14.59 ? 134 ILE   B CD1 1 
ATOM   1116 N N   . GLY   A 1 129 ? -21.517 -9.216  -15.479 1.00 12.59 ? 135 GLY   B N   1 
ATOM   1117 C CA  . GLY   A 1 129 ? -20.425 -9.665  -16.356 1.00 11.95 ? 135 GLY   B CA  1 
ATOM   1118 C C   . GLY   A 1 129 ? -20.735 -11.033 -16.918 1.00 11.35 ? 135 GLY   B C   1 
ATOM   1119 O O   . GLY   A 1 129 ? -21.280 -11.890 -16.221 1.00 11.74 ? 135 GLY   B O   1 
ATOM   1120 N N   . ILE   A 1 130 ? -20.475 -11.209 -18.213 1.00 12.37 ? 136 ILE   B N   1 
ATOM   1121 C CA  . ILE   A 1 130 ? -20.728 -12.473 -18.942 1.00 10.74 ? 136 ILE   B CA  1 
ATOM   1122 C C   . ILE   A 1 130 ? -19.404 -12.951 -19.529 1.00 12.29 ? 136 ILE   B C   1 
ATOM   1123 O O   . ILE   A 1 130 ? -18.748 -12.204 -20.244 1.00 12.11 ? 136 ILE   B O   1 
ATOM   1124 C CB  . ILE   A 1 130 ? -21.772 -12.259 -20.051 1.00 12.74 ? 136 ILE   B CB  1 
ATOM   1125 C CG1 . ILE   A 1 130 ? -23.068 -11.753 -19.440 1.00 13.75 ? 136 ILE   B CG1 1 
ATOM   1126 C CG2 . ILE   A 1 130 ? -22.012 -13.522 -20.868 1.00 13.16 ? 136 ILE   B CG2 1 
ATOM   1127 C CD1 . ILE   A 1 130 ? -24.071 -11.312 -20.423 1.00 16.80 ? 136 ILE   B CD1 1 
ATOM   1128 N N   . PHE   A 1 131 ? -19.055 -14.166 -19.197 1.00 11.34 ? 137 PHE   B N   1 
ATOM   1129 C CA  . PHE   A 1 131 ? -17.790 -14.800 -19.662 1.00 11.09 ? 137 PHE   B CA  1 
ATOM   1130 C C   . PHE   A 1 131 ? -18.156 -16.036 -20.460 1.00 11.47 ? 137 PHE   B C   1 
ATOM   1131 O O   . PHE   A 1 131 ? -18.906 -16.906 -19.975 1.00 11.91 ? 137 PHE   B O   1 
ATOM   1132 C CB  . PHE   A 1 131 ? -16.925 -15.231 -18.483 1.00 12.41 ? 137 PHE   B CB  1 
ATOM   1133 C CG  . PHE   A 1 131 ? -15.675 -15.996 -18.842 1.00 13.09 ? 137 PHE   B CG  1 
ATOM   1134 C CD1 . PHE   A 1 131 ? -14.643 -15.361 -19.489 1.00 15.55 ? 137 PHE   B CD1 1 
ATOM   1135 C CD2 . PHE   A 1 131 ? -15.524 -17.316 -18.465 1.00 15.53 ? 137 PHE   B CD2 1 
ATOM   1136 C CE1 . PHE   A 1 131 ? -13.482 -16.061 -19.794 1.00 17.93 ? 137 PHE   B CE1 1 
ATOM   1137 C CE2 . PHE   A 1 131 ? -14.393 -18.030 -18.832 1.00 16.29 ? 137 PHE   B CE2 1 
ATOM   1138 C CZ  . PHE   A 1 131 ? -13.366 -17.381 -19.456 1.00 15.74 ? 137 PHE   B CZ  1 
ATOM   1139 N N   . VAL   A 1 132 ? -17.562 -16.184 -21.647 1.00 11.27 ? 138 VAL   B N   1 
ATOM   1140 C CA  . VAL   A 1 132 ? -17.722 -17.384 -22.491 1.00 11.84 ? 138 VAL   B CA  1 
ATOM   1141 C C   . VAL   A 1 132 ? -16.338 -17.982 -22.784 1.00 10.38 ? 138 VAL   B C   1 
ATOM   1142 O O   . VAL   A 1 132 ? -15.453 -17.280 -23.256 1.00 12.64 ? 138 VAL   B O   1 
ATOM   1143 C CB  . VAL   A 1 132 ? -18.467 -17.051 -23.793 1.00 11.49 ? 138 VAL   B CB  1 
ATOM   1144 C CG1 . VAL   A 1 132 ? -18.611 -18.282 -24.684 1.00 13.92 ? 138 VAL   B CG1 1 
ATOM   1145 C CG2 . VAL   A 1 132 ? -19.837 -16.425 -23.486 1.00 13.54 ? 138 VAL   B CG2 1 
ATOM   1146 N N   . ASP   A 1 133 ? -16.201 -19.258 -22.468 1.00 11.62 ? 139 ASP   B N   1 
ATOM   1147 C CA  . ASP   A 1 133 ? -15.019 -20.042 -22.934 1.00 13.22 ? 139 ASP   B CA  1 
ATOM   1148 C C   . ASP   A 1 133 ? -15.545 -21.062 -23.943 1.00 11.93 ? 139 ASP   B C   1 
ATOM   1149 O O   . ASP   A 1 133 ? -16.163 -22.063 -23.562 1.00 12.39 ? 139 ASP   B O   1 
ATOM   1150 C CB  . ASP   A 1 133 ? -14.282 -20.653 -21.770 1.00 13.01 ? 139 ASP   B CB  1 
ATOM   1151 C CG  . ASP   A 1 133 ? -13.015 -21.411 -22.159 1.00 15.27 ? 139 ASP   B CG  1 
ATOM   1152 O OD1 . ASP   A 1 133 ? -12.908 -21.852 -23.323 1.00 16.52 ? 139 ASP   B OD1 1 
ATOM   1153 O OD2 . ASP   A 1 133 ? -12.219 -21.594 -21.213 1.00 19.17 ? 139 ASP   B OD2 1 
ATOM   1154 N N   . TYR   A 1 134 ? -15.312 -20.803 -25.233 1.00 12.12 ? 140 TYR   B N   1 
ATOM   1155 C CA  . TYR   A 1 134 ? -15.901 -21.643 -26.297 1.00 12.11 ? 140 TYR   B CA  1 
ATOM   1156 C C   . TYR   A 1 134 ? -15.381 -23.089 -26.221 1.00 13.44 ? 140 TYR   B C   1 
ATOM   1157 O O   . TYR   A 1 134 ? -16.141 -24.022 -26.128 1.00 14.27 ? 140 TYR   B O   1 
ATOM   1158 C CB  . TYR   A 1 134 ? -15.641 -21.010 -27.667 1.00 12.85 ? 140 TYR   B CB  1 
ATOM   1159 C CG  . TYR   A 1 134 ? -16.572 -21.591 -28.700 1.00 13.92 ? 140 TYR   B CG  1 
ATOM   1160 C CD1 . TYR   A 1 134 ? -16.429 -22.894 -29.181 1.00 13.49 ? 140 TYR   B CD1 1 
ATOM   1161 C CD2 . TYR   A 1 134 ? -17.712 -20.910 -29.103 1.00 13.84 ? 140 TYR   B CD2 1 
ATOM   1162 C CE1 . TYR   A 1 134 ? -17.309 -23.469 -30.068 1.00 13.71 ? 140 TYR   B CE1 1 
ATOM   1163 C CE2 . TYR   A 1 134 ? -18.612 -21.486 -29.988 1.00 12.58 ? 140 TYR   B CE2 1 
ATOM   1164 C CZ  . TYR   A 1 134 ? -18.414 -22.759 -30.503 1.00 13.25 ? 140 TYR   B CZ  1 
ATOM   1165 O OH  . TYR   A 1 134 ? -19.304 -23.379 -31.322 1.00 13.36 ? 140 TYR   B OH  1 
ATOM   1166 N N   . GLU   A 1 135 ? -14.070 -23.215 -26.123 1.00 14.94 ? 141 GLU   B N   1 
ATOM   1167 C CA  . GLU   A 1 135 ? -13.448 -24.561 -26.149 1.00 16.36 ? 141 GLU   B CA  1 
ATOM   1168 C C   . GLU   A 1 135 ? -13.874 -25.329 -24.923 1.00 14.80 ? 141 GLU   B C   1 
ATOM   1169 O O   . GLU   A 1 135 ? -14.209 -26.539 -25.074 1.00 17.36 ? 141 GLU   B O   1 
ATOM   1170 C CB  . GLU   A 1 135 ? -11.936 -24.469 -26.301 1.00 18.06 ? 141 GLU   B CB  1 
ATOM   1171 C CG  . GLU   A 1 135 ? -11.521 -24.282 -27.783 1.00 22.86 ? 141 GLU   B CG  1 
ATOM   1172 C CD  . GLU   A 1 135 ? -11.844 -22.932 -28.333 1.00 25.41 ? 141 GLU   B CD  1 
ATOM   1173 O OE1 . GLU   A 1 135 ? -11.997 -22.825 -29.516 1.00 25.02 ? 141 GLU   B OE1 1 
ATOM   1174 O OE2 . GLU   A 1 135 ? -11.911 -21.957 -27.527 1.00 26.53 ? 141 GLU   B OE2 1 
ATOM   1175 N N   . ALA   A 1 136 ? -13.890 -24.735 -23.733 1.00 13.93 ? 142 ALA   B N   1 
ATOM   1176 C CA  . ALA   A 1 136 ? -14.274 -25.430 -22.501 1.00 14.33 ? 142 ALA   B CA  1 
ATOM   1177 C C   . ALA   A 1 136 ? -15.786 -25.704 -22.428 1.00 14.78 ? 142 ALA   B C   1 
ATOM   1178 O O   . ALA   A 1 136 ? -16.206 -26.569 -21.608 1.00 17.40 ? 142 ALA   B O   1 
ATOM   1179 C CB  . ALA   A 1 136 ? -13.828 -24.639 -21.301 1.00 16.05 ? 142 ALA   B CB  1 
ATOM   1180 N N   . GLY   A 1 137 ? -16.626 -25.061 -23.230 1.00 12.44 ? 143 GLY   B N   1 
ATOM   1181 C CA  . GLY   A 1 137 ? -18.075 -25.212 -23.122 1.00 12.40 ? 143 GLY   B CA  1 
ATOM   1182 C C   . GLY   A 1 137 ? -18.630 -24.577 -21.846 1.00 11.98 ? 143 GLY   B C   1 
ATOM   1183 O O   . GLY   A 1 137 ? -19.420 -25.273 -21.156 1.00 12.28 ? 143 GLY   B O   1 
ATOM   1184 N N   . VAL   A 1 138 ? -18.221 -23.342 -21.547 1.00 11.48 ? 144 VAL   B N   1 
ATOM   1185 C CA  . VAL   A 1 138 ? -18.611 -22.640 -20.295 1.00 11.61 ? 144 VAL   B CA  1 
ATOM   1186 C C   . VAL   A 1 138 ? -19.203 -21.278 -20.629 1.00 10.92 ? 144 VAL   B C   1 
ATOM   1187 O O   . VAL   A 1 138 ? -18.615 -20.499 -21.407 1.00 12.17 ? 144 VAL   B O   1 
ATOM   1188 C CB  . VAL   A 1 138 ? -17.382 -22.490 -19.387 1.00 13.07 ? 144 VAL   B CB  1 
ATOM   1189 C CG1 . VAL   A 1 138 ? -17.624 -21.546 -18.203 1.00 13.38 ? 144 VAL   B CG1 1 
ATOM   1190 C CG2 . VAL   A 1 138 ? -16.949 -23.872 -18.932 1.00 14.40 ? 144 VAL   B CG2 1 
ATOM   1191 N N   . VAL   A 1 139 ? -20.309 -20.968 -19.946 1.00 11.22 ? 145 VAL   B N   1 
ATOM   1192 C CA  . VAL   A 1 139 ? -20.856 -19.587 -19.865 1.00 10.58 ? 145 VAL   B CA  1 
ATOM   1193 C C   . VAL   A 1 139 ? -21.065 -19.221 -18.385 1.00 10.37 ? 145 VAL   B C   1 
ATOM   1194 O O   . VAL   A 1 139 ? -21.829 -19.950 -17.707 1.00 10.91 ? 145 VAL   B O   1 
ATOM   1195 C CB  . VAL   A 1 139 ? -22.193 -19.466 -20.629 1.00 11.08 ? 145 VAL   B CB  1 
ATOM   1196 C CG1 . VAL   A 1 139 ? -22.675 -18.005 -20.616 1.00 11.42 ? 145 VAL   B CG1 1 
ATOM   1197 C CG2 . VAL   A 1 139 ? -22.062 -20.003 -22.040 1.00 11.26 ? 145 VAL   B CG2 1 
ATOM   1198 N N   . SER   A 1 140 ? -20.418 -18.174 -17.907 1.00 10.16 ? 146 SER   B N   1 
ATOM   1199 C CA  . SER   A 1 140 ? -20.516 -17.759 -16.499 1.00 11.54 ? 146 SER   B CA  1 
ATOM   1200 C C   . SER   A 1 140 ? -20.957 -16.311 -16.401 1.00 10.25 ? 146 SER   B C   1 
ATOM   1201 O O   . SER   A 1 140 ? -20.674 -15.483 -17.260 1.00 11.26 ? 146 SER   B O   1 
ATOM   1202 C CB  . SER   A 1 140 ? -19.177 -17.944 -15.829 1.00 11.62 ? 146 SER   B CB  1 
ATOM   1203 O OG  . SER   A 1 140 ? -18.839 -19.323 -15.708 1.00 12.31 ? 146 SER   B OG  1 
ATOM   1204 N N   . PHE   A 1 141 ? -21.689 -16.056 -15.338 1.00 10.33 ? 147 PHE   B N   1 
ATOM   1205 C CA  . PHE   A 1 141 ? -22.295 -14.761 -15.012 1.00 10.65 ? 147 PHE   B CA  1 
ATOM   1206 C C   . PHE   A 1 141 ? -21.773 -14.282 -13.670 1.00 10.62 ? 147 PHE   B C   1 
ATOM   1207 O O   . PHE   A 1 141 ? -21.792 -15.080 -12.689 1.00 10.44 ? 147 PHE   B O   1 
ATOM   1208 C CB  . PHE   A 1 141 ? -23.834 -14.847 -15.025 1.00 10.38 ? 147 PHE   B CB  1 
ATOM   1209 C CG  . PHE   A 1 141 ? -24.413 -15.265 -16.347 1.00 10.23 ? 147 PHE   B CG  1 
ATOM   1210 C CD1 . PHE   A 1 141 ? -24.481 -16.618 -16.721 1.00 9.72  ? 147 PHE   B CD1 1 
ATOM   1211 C CD2 . PHE   A 1 141 ? -24.915 -14.297 -17.214 1.00 10.71 ? 147 PHE   B CD2 1 
ATOM   1212 C CE1 . PHE   A 1 141 ? -24.957 -16.971 -17.981 1.00 9.84  ? 147 PHE   B CE1 1 
ATOM   1213 C CE2 . PHE   A 1 141 ? -25.424 -14.674 -18.456 1.00 9.48  ? 147 PHE   B CE2 1 
ATOM   1214 C CZ  . PHE   A 1 141 ? -25.475 -16.016 -18.819 1.00 9.62  ? 147 PHE   B CZ  1 
ATOM   1215 N N   . TYR   A 1 142 ? -21.452 -12.997 -13.622 1.00 11.42 ? 148 TYR   B N   1 
ATOM   1216 C CA  . TYR   A 1 142 ? -20.799 -12.360 -12.458 1.00 12.41 ? 148 TYR   B CA  1 
ATOM   1217 C C   . TYR   A 1 142 ? -21.584 -11.125 -12.007 1.00 13.34 ? 148 TYR   B C   1 
ATOM   1218 O O   . TYR   A 1 142 ? -22.028 -10.330 -12.843 1.00 12.83 ? 148 TYR   B O   1 
ATOM   1219 C CB  . TYR   A 1 142 ? -19.319 -12.075 -12.711 1.00 12.23 ? 148 TYR   B CB  1 
ATOM   1220 C CG  . TYR   A 1 142 ? -18.517 -13.326 -12.988 1.00 12.93 ? 148 TYR   B CG  1 
ATOM   1221 C CD1 . TYR   A 1 142 ? -18.038 -14.090 -11.950 1.00 13.81 ? 148 TYR   B CD1 1 
ATOM   1222 C CD2 . TYR   A 1 142 ? -18.319 -13.791 -14.272 1.00 13.57 ? 148 TYR   B CD2 1 
ATOM   1223 C CE1 . TYR   A 1 142 ? -17.382 -15.285 -12.190 1.00 14.11 ? 148 TYR   B CE1 1 
ATOM   1224 C CE2 . TYR   A 1 142 ? -17.627 -14.960 -14.541 1.00 13.82 ? 148 TYR   B CE2 1 
ATOM   1225 C CZ  . TYR   A 1 142 ? -17.111 -15.698 -13.487 1.00 14.45 ? 148 TYR   B CZ  1 
ATOM   1226 O OH  . TYR   A 1 142 ? -16.471 -16.901 -13.746 1.00 16.84 ? 148 TYR   B OH  1 
ATOM   1227 N N   . ASN   A 1 143 ? -21.607 -10.877 -10.703 1.00 14.48 ? 149 ASN   B N   1 
ATOM   1228 C CA  . ASN   A 1 143 ? -22.320 -9.716  -10.098 1.00 13.45 ? 149 ASN   B CA  1 
ATOM   1229 C C   . ASN   A 1 143 ? -21.290 -8.599  -9.901  1.00 13.75 ? 149 ASN   B C   1 
ATOM   1230 O O   . ASN   A 1 143 ? -20.551 -8.650  -8.879  1.00 14.64 ? 149 ASN   B O   1 
ATOM   1231 C CB  . ASN   A 1 143 ? -22.953 -10.164 -8.788  1.00 13.45 ? 149 ASN   B CB  1 
ATOM   1232 C CG  . ASN   A 1 143 ? -23.784 -9.067  -8.128  1.00 13.01 ? 149 ASN   B CG  1 
ATOM   1233 O OD1 . ASN   A 1 143 ? -23.600 -7.902  -8.466  1.00 14.66 ? 149 ASN   B OD1 1 
ATOM   1234 N ND2 . ASN   A 1 143 ? -24.676 -9.459  -7.273  1.00 14.06 ? 149 ASN   B ND2 1 
ATOM   1235 N N   . ILE   A 1 144 ? -21.225 -7.617  -10.785 1.00 14.27 ? 150 ILE   B N   1 
ATOM   1236 C CA  . ILE   A 1 144 ? -20.148 -6.603  -10.748 1.00 15.98 ? 150 ILE   B CA  1 
ATOM   1237 C C   . ILE   A 1 144 ? -20.410 -5.706  -9.528  1.00 16.65 ? 150 ILE   B C   1 
ATOM   1238 O O   . ILE   A 1 144 ? -19.421 -5.218  -8.938  1.00 18.35 ? 150 ILE   B O   1 
ATOM   1239 C CB  . ILE   A 1 144 ? -20.138 -5.825  -12.064 1.00 16.30 ? 150 ILE   B CB  1 
ATOM   1240 C CG1 . ILE   A 1 144 ? -19.961 -6.747  -13.279 1.00 16.69 ? 150 ILE   B CG1 1 
ATOM   1241 C CG2 . ILE   A 1 144 ? -19.098 -4.705  -12.036 1.00 18.71 ? 150 ILE   B CG2 1 
ATOM   1242 C CD1 . ILE   A 1 144 ? -18.840 -7.737  -13.152 1.00 20.82 ? 150 ILE   B CD1 1 
ATOM   1243 N N   . THR   A 1 145 ? -21.659 -5.503  -9.163  1.00 15.87 ? 151 THR   B N   1 
ATOM   1244 C CA  . THR   A 1 145 ? -22.053 -4.669  -7.975  1.00 16.27 ? 151 THR   B CA  1 
ATOM   1245 C C   . THR   A 1 145 ? -21.494 -5.298  -6.697  1.00 19.35 ? 151 THR   B C   1 
ATOM   1246 O O   . THR   A 1 145 ? -21.105 -4.536  -5.763  1.00 23.26 ? 151 THR   B O   1 
ATOM   1247 C CB  . THR   A 1 145 ? -23.585 -4.548  -7.920  1.00 15.77 ? 151 THR   B CB  1 
ATOM   1248 O OG1 . THR   A 1 145 ? -23.989 -4.074  -9.197  1.00 16.27 ? 151 THR   B OG1 1 
ATOM   1249 C CG2 . THR   A 1 145 ? -23.997 -3.560  -6.851  1.00 17.77 ? 151 THR   B CG2 1 
ATOM   1250 N N   . ASP   A 1 146 ? -21.468 -6.620  -6.606  1.00 17.38 ? 152 ASP   B N   1 
ATOM   1251 C CA  . ASP   A 1 146 ? -20.935 -7.385  -5.434  1.00 18.53 ? 152 ASP   B CA  1 
ATOM   1252 C C   . ASP   A 1 146 ? -19.511 -7.922  -5.685  1.00 19.54 ? 152 ASP   B C   1 
ATOM   1253 O O   . ASP   A 1 146 ? -19.298 -9.117  -5.501  1.00 20.50 ? 152 ASP   B O   1 
ATOM   1254 C CB  . ASP   A 1 146 ? -21.967 -8.400  -5.041  1.00 19.32 ? 152 ASP   B CB  1 
ATOM   1255 C CG  . ASP   A 1 146 ? -21.597 -9.176  -3.801  1.00 23.19 ? 152 ASP   B CG  1 
ATOM   1256 O OD1 . ASP   A 1 146 ? -21.133 -8.535  -2.845  1.00 23.44 ? 152 ASP   B OD1 1 
ATOM   1257 O OD2 . ASP   A 1 146 ? -21.727 -10.396 -3.847  1.00 23.14 ? 152 ASP   B OD2 1 
ATOM   1258 N N   . HIS   A 1 147 ? -18.576 -7.075  -6.094  1.00 20.55 ? 153 HIS   B N   1 
ATOM   1259 C CA  . HIS   A 1 147 ? -17.125 -7.407  -6.163  1.00 23.28 ? 153 HIS   B CA  1 
ATOM   1260 C C   . HIS   A 1 147 ? -16.935 -8.600  -7.113  1.00 22.35 ? 153 HIS   B C   1 
ATOM   1261 O O   . HIS   A 1 147 ? -16.023 -9.395  -6.927  1.00 26.53 ? 153 HIS   B O   1 
ATOM   1262 C CB  . HIS   A 1 147 ? -16.540 -7.800  -4.793  1.00 29.56 ? 153 HIS   B CB  1 
ATOM   1263 C CG  . HIS   A 1 147 ? -16.781 -6.845  -3.671  1.00 36.24 ? 153 HIS   B CG  1 
ATOM   1264 N ND1 . HIS   A 1 147 ? -16.176 -5.601  -3.616  1.00 44.14 ? 153 HIS   B ND1 1 
ATOM   1265 C CD2 . HIS   A 1 147 ? -17.520 -6.970  -2.547  1.00 42.06 ? 153 HIS   B CD2 1 
ATOM   1266 C CE1 . HIS   A 1 147 ? -16.558 -4.979  -2.515  1.00 46.89 ? 153 HIS   B CE1 1 
ATOM   1267 N NE2 . HIS   A 1 147 ? -17.382 -5.805  -1.836  1.00 46.33 ? 153 HIS   B NE2 1 
ATOM   1268 N N   . GLY   A 1 148 ? -17.796 -8.739  -8.113  1.00 18.44 ? 154 GLY   B N   1 
ATOM   1269 C CA  . GLY   A 1 148 ? -17.576 -9.773  -9.148  1.00 17.33 ? 154 GLY   B CA  1 
ATOM   1270 C C   . GLY   A 1 148 ? -17.981 -11.161 -8.713  1.00 16.42 ? 154 GLY   B C   1 
ATOM   1271 O O   . GLY   A 1 148 ? -17.445 -12.117 -9.281  1.00 16.83 ? 154 GLY   B O   1 
ATOM   1272 N N   . SER   A 1 149 ? -18.830 -11.307 -7.727  1.00 15.21 ? 155 SER   B N   1 
ATOM   1273 C CA  . SER   A 1 149 ? -19.160 -12.646 -7.189  1.00 13.80 ? 155 SER   B CA  1 
ATOM   1274 C C   . SER   A 1 149 ? -19.846 -13.489 -8.253  1.00 14.31 ? 155 SER   B C   1 
ATOM   1275 O O   . SER   A 1 149 ? -20.668 -12.967 -9.067  1.00 13.26 ? 155 SER   B O   1 
ATOM   1276 C CB  . SER   A 1 149 ? -19.982 -12.540 -5.942  1.00 14.36 ? 155 SER   B CB  1 
ATOM   1277 O OG  . SER   A 1 149 ? -21.199 -11.802 -6.109  1.00 15.81 ? 155 SER   B OG  1 
ATOM   1278 N N   . LEU   A 1 150 ? -19.685 -14.787 -8.218  1.00 13.14 ? 156 LEU   B N   1 
ATOM   1279 C CA  . LEU   A 1 150 ? -20.332 -15.682 -9.227  1.00 12.34 ? 156 LEU   B CA  1 
ATOM   1280 C C   . LEU   A 1 150 ? -21.826 -15.727 -8.988  1.00 12.55 ? 156 LEU   B C   1 
ATOM   1281 O O   . LEU   A 1 150 ? -22.305 -15.965 -7.850  1.00 12.91 ? 156 LEU   B O   1 
ATOM   1282 C CB  . LEU   A 1 150 ? -19.737 -17.097 -9.087  1.00 12.56 ? 156 LEU   B CB  1 
ATOM   1283 C CG  . LEU   A 1 150 ? -20.281 -18.158 -10.055 1.00 13.30 ? 156 LEU   B CG  1 
ATOM   1284 C CD1 . LEU   A 1 150 ? -19.891 -17.881 -11.495 1.00 12.63 ? 156 LEU   B CD1 1 
ATOM   1285 C CD2 . LEU   A 1 150 ? -19.727 -19.555 -9.624  1.00 14.39 ? 156 LEU   B CD2 1 
ATOM   1286 N N   . ILE   A 1 151 ? -22.580 -15.606 -10.088 1.00 10.73 ? 157 ILE   B N   1 
ATOM   1287 C CA  . ILE   A 1 151 ? -24.025 -15.822 -10.115 1.00 11.50 ? 157 ILE   B CA  1 
ATOM   1288 C C   . ILE   A 1 151 ? -24.366 -17.233 -10.592 1.00 10.62 ? 157 ILE   B C   1 
ATOM   1289 O O   . ILE   A 1 151 ? -25.176 -17.920 -9.979  1.00 11.30 ? 157 ILE   B O   1 
ATOM   1290 C CB  . ILE   A 1 151 ? -24.697 -14.744 -10.997 1.00 11.35 ? 157 ILE   B CB  1 
ATOM   1291 C CG1 . ILE   A 1 151 ? -24.521 -13.359 -10.405 1.00 12.52 ? 157 ILE   B CG1 1 
ATOM   1292 C CG2 . ILE   A 1 151 ? -26.177 -15.069 -11.222 1.00 10.99 ? 157 ILE   B CG2 1 
ATOM   1293 C CD1 . ILE   A 1 151 ? -25.007 -12.242 -11.303 1.00 13.91 ? 157 ILE   B CD1 1 
ATOM   1294 N N   . TYR   A 1 152 ? -23.782 -17.674 -11.708 1.00 10.53 ? 158 TYR   B N   1 
ATOM   1295 C CA  . TYR   A 1 152 ? -24.195 -18.969 -12.303 1.00 9.66  ? 158 TYR   B CA  1 
ATOM   1296 C C   . TYR   A 1 152 ? -23.150 -19.360 -13.340 1.00 10.46 ? 158 TYR   B C   1 
ATOM   1297 O O   . TYR   A 1 152 ? -22.655 -18.484 -14.088 1.00 10.23 ? 158 TYR   B O   1 
ATOM   1298 C CB  . TYR   A 1 152 ? -25.581 -18.899 -13.013 1.00 10.42 ? 158 TYR   B CB  1 
ATOM   1299 C CG  . TYR   A 1 152 ? -26.118 -20.248 -13.382 1.00 10.27 ? 158 TYR   B CG  1 
ATOM   1300 C CD1 . TYR   A 1 152 ? -26.754 -21.049 -12.444 1.00 10.95 ? 158 TYR   B CD1 1 
ATOM   1301 C CD2 . TYR   A 1 152 ? -25.945 -20.767 -14.662 1.00 10.12 ? 158 TYR   B CD2 1 
ATOM   1302 C CE1 . TYR   A 1 152 ? -27.189 -22.324 -12.765 1.00 11.70 ? 158 TYR   B CE1 1 
ATOM   1303 C CE2 . TYR   A 1 152 ? -26.397 -22.025 -14.967 1.00 10.62 ? 158 TYR   B CE2 1 
ATOM   1304 C CZ  . TYR   A 1 152 ? -26.998 -22.818 -14.029 1.00 11.88 ? 158 TYR   B CZ  1 
ATOM   1305 O OH  . TYR   A 1 152 ? -27.401 -24.095 -14.269 1.00 13.93 ? 158 TYR   B OH  1 
ATOM   1306 N N   . THR   A 1 153 ? -22.864 -20.656 -13.466 1.00 10.82 ? 159 THR   B N   1 
ATOM   1307 C CA  . THR   A 1 153 ? -22.012 -21.254 -14.519 1.00 10.74 ? 159 THR   B CA  1 
ATOM   1308 C C   . THR   A 1 153 ? -22.797 -22.361 -15.204 1.00 11.11 ? 159 THR   B C   1 
ATOM   1309 O O   . THR   A 1 153 ? -23.182 -23.351 -14.569 1.00 11.41 ? 159 THR   B O   1 
ATOM   1310 C CB  . THR   A 1 153 ? -20.681 -21.802 -13.974 1.00 11.53 ? 159 THR   B CB  1 
ATOM   1311 O OG1 . THR   A 1 153 ? -19.919 -20.679 -13.542 1.00 10.99 ? 159 THR   B OG1 1 
ATOM   1312 C CG2 . THR   A 1 153 ? -19.914 -22.626 -14.995 1.00 12.44 ? 159 THR   B CG2 1 
ATOM   1313 N N   . PHE   A 1 154 ? -23.021 -22.202 -16.512 1.00 11.17 ? 160 PHE   B N   1 
ATOM   1314 C CA  . PHE   A 1 154 ? -23.400 -23.318 -17.425 1.00 10.80 ? 160 PHE   B CA  1 
ATOM   1315 C C   . PHE   A 1 154 ? -22.097 -24.007 -17.842 1.00 11.60 ? 160 PHE   B C   1 
ATOM   1316 O O   . PHE   A 1 154 ? -21.239 -23.380 -18.410 1.00 11.71 ? 160 PHE   B O   1 
ATOM   1317 C CB  . PHE   A 1 154 ? -24.077 -22.822 -18.701 1.00 11.28 ? 160 PHE   B CB  1 
ATOM   1318 C CG  . PHE   A 1 154 ? -25.454 -22.219 -18.539 1.00 10.14 ? 160 PHE   B CG  1 
ATOM   1319 C CD1 . PHE   A 1 154 ? -25.593 -20.854 -18.293 1.00 9.64  ? 160 PHE   B CD1 1 
ATOM   1320 C CD2 . PHE   A 1 154 ? -26.592 -22.983 -18.734 1.00 9.89  ? 160 PHE   B CD2 1 
ATOM   1321 C CE1 . PHE   A 1 154 ? -26.863 -20.316 -18.169 1.00 10.63 ? 160 PHE   B CE1 1 
ATOM   1322 C CE2 . PHE   A 1 154 ? -27.872 -22.414 -18.631 1.00 10.40 ? 160 PHE   B CE2 1 
ATOM   1323 C CZ  . PHE   A 1 154 ? -27.974 -21.065 -18.393 1.00 10.11 ? 160 PHE   B CZ  1 
ATOM   1324 N N   . SER   A 1 155 ? -21.996 -25.286 -17.527 1.00 12.48 ? 161 SER   B N   1 
ATOM   1325 C CA  . SER   A 1 155 ? -20.863 -26.064 -18.038 1.00 13.30 ? 161 SER   B CA  1 
ATOM   1326 C C   . SER   A 1 155 ? -21.362 -27.222 -18.890 1.00 13.77 ? 161 SER   B C   1 
ATOM   1327 O O   . SER   A 1 155 ? -22.555 -27.508 -18.957 1.00 15.17 ? 161 SER   B O   1 
ATOM   1328 C CB  . SER   A 1 155 ? -20.011 -26.483 -16.865 1.00 15.49 ? 161 SER   B CB  1 
ATOM   1329 O OG  . SER   A 1 155 ? -20.610 -27.509 -16.107 1.00 18.32 ? 161 SER   B OG  1 
ATOM   1330 N N   . GLU   A 1 156 ? -20.427 -27.897 -19.565 1.00 16.10 ? 162 GLU   B N   1 
ATOM   1331 C CA  . GLU   A 1 156 ? -20.810 -28.992 -20.498 1.00 17.28 ? 162 GLU   B CA  1 
ATOM   1332 C C   . GLU   A 1 156 ? -21.743 -28.428 -21.572 1.00 16.07 ? 162 GLU   B C   1 
ATOM   1333 O O   . GLU   A 1 156 ? -22.658 -29.145 -22.060 1.00 17.76 ? 162 GLU   B O   1 
ATOM   1334 C CB  . GLU   A 1 156 ? -21.478 -30.172 -19.787 1.00 21.47 ? 162 GLU   B CB  1 
ATOM   1335 C CG  . GLU   A 1 156 ? -20.710 -30.689 -18.588 1.00 26.01 ? 162 GLU   B CG  1 
ATOM   1336 C CD  . GLU   A 1 156 ? -21.340 -31.977 -18.116 1.00 36.73 ? 162 GLU   B CD  1 
ATOM   1337 O OE1 . GLU   A 1 156 ? -22.408 -31.911 -17.474 1.00 42.76 ? 162 GLU   B OE1 1 
ATOM   1338 O OE2 . GLU   A 1 156 ? -20.836 -33.047 -18.514 1.00 44.46 ? 162 GLU   B OE2 1 
ATOM   1339 N N   . CYS   A 1 157 ? -21.505 -27.175 -21.972 1.00 14.10 ? 163 CYS   B N   1 
ATOM   1340 C CA  . CYS   A 1 157 ? -22.382 -26.539 -22.980 1.00 13.34 ? 163 CYS   B CA  1 
ATOM   1341 C C   . CYS   A 1 157 ? -22.146 -27.202 -24.348 1.00 14.24 ? 163 CYS   B C   1 
ATOM   1342 O O   . CYS   A 1 157 ? -20.950 -27.442 -24.690 1.00 16.50 ? 163 CYS   B O   1 
ATOM   1343 C CB  . CYS   A 1 157 ? -22.182 -25.030 -23.134 1.00 13.10 ? 163 CYS   B CB  1 
ATOM   1344 S SG  . CYS   A 1 157 ? -22.577 -24.092 -21.630 1.00 13.20 ? 163 CYS   B SG  1 
ATOM   1345 N N   . VAL   A 1 158 ? -23.198 -27.409 -25.107 1.00 14.02 ? 164 VAL   B N   1 
ATOM   1346 C CA  . VAL   A 1 158 ? -23.064 -27.946 -26.476 1.00 15.55 ? 164 VAL   B CA  1 
ATOM   1347 C C   . VAL   A 1 158 ? -23.484 -26.798 -27.398 1.00 13.92 ? 164 VAL   B C   1 
ATOM   1348 O O   . VAL   A 1 158 ? -24.668 -26.657 -27.784 1.00 16.08 ? 164 VAL   B O   1 
ATOM   1349 C CB  . VAL   A 1 158 ? -23.840 -29.270 -26.603 1.00 18.08 ? 164 VAL   B CB  1 
ATOM   1350 C CG1 . VAL   A 1 158 ? -23.694 -29.745 -28.041 1.00 18.87 ? 164 VAL   B CG1 1 
ATOM   1351 C CG2 . VAL   A 1 158 ? -23.292 -30.314 -25.648 1.00 19.23 ? 164 VAL   B CG2 1 
ATOM   1352 N N   . PHE   A 1 159 ? -22.566 -25.893 -27.740 1.00 12.72 ? 165 PHE   B N   1 
ATOM   1353 C CA  . PHE   A 1 159 ? -22.907 -24.665 -28.481 1.00 13.31 ? 165 PHE   B CA  1 
ATOM   1354 C C   . PHE   A 1 159 ? -23.469 -25.028 -29.845 1.00 15.20 ? 165 PHE   B C   1 
ATOM   1355 O O   . PHE   A 1 159 ? -24.455 -24.424 -30.302 1.00 15.07 ? 165 PHE   B O   1 
ATOM   1356 C CB  . PHE   A 1 159 ? -21.740 -23.704 -28.478 1.00 12.90 ? 165 PHE   B CB  1 
ATOM   1357 C CG  . PHE   A 1 159 ? -21.305 -23.200 -27.118 1.00 11.21 ? 165 PHE   B CG  1 
ATOM   1358 C CD1 . PHE   A 1 159 ? -22.250 -22.709 -26.220 1.00 12.43 ? 165 PHE   B CD1 1 
ATOM   1359 C CD2 . PHE   A 1 159 ? -19.967 -23.223 -26.734 1.00 12.92 ? 165 PHE   B CD2 1 
ATOM   1360 C CE1 . PHE   A 1 159 ? -21.840 -22.222 -24.971 1.00 12.83 ? 165 PHE   B CE1 1 
ATOM   1361 C CE2 . PHE   A 1 159 ? -19.559 -22.714 -25.518 1.00 12.92 ? 165 PHE   B CE2 1 
ATOM   1362 C CZ  . PHE   A 1 159 ? -20.505 -22.216 -24.625 1.00 12.03 ? 165 PHE   B CZ  1 
ATOM   1363 N N   . ALA   A 1 160 ? -22.770 -25.904 -30.557 1.00 13.75 ? 166 ALA   B N   1 
ATOM   1364 C CA  . ALA   A 1 160 ? -23.265 -26.488 -31.828 1.00 14.65 ? 166 ALA   B CA  1 
ATOM   1365 C C   . ALA   A 1 160 ? -23.364 -25.420 -32.933 1.00 13.87 ? 166 ALA   B C   1 
ATOM   1366 O O   . ALA   A 1 160 ? -24.191 -25.608 -33.873 1.00 15.14 ? 166 ALA   B O   1 
ATOM   1367 C CB  . ALA   A 1 160 ? -24.533 -27.259 -31.648 1.00 15.19 ? 166 ALA   B CB  1 
ATOM   1368 N N   . GLY   A 1 161 ? -22.609 -24.352 -32.851 1.00 14.63 ? 167 GLY   B N   1 
ATOM   1369 C CA  . GLY   A 1 161 ? -22.595 -23.276 -33.839 1.00 15.60 ? 167 GLY   B CA  1 
ATOM   1370 C C   . GLY   A 1 161 ? -21.927 -22.030 -33.318 1.00 14.22 ? 167 GLY   B C   1 
ATOM   1371 O O   . GLY   A 1 161 ? -21.492 -21.981 -32.148 1.00 14.00 ? 167 GLY   B O   1 
ATOM   1372 N N   . PRO   A 1 162 ? -21.817 -21.013 -34.152 1.00 12.88 ? 168 PRO   B N   1 
ATOM   1373 C CA  . PRO   A 1 162 ? -21.333 -19.720 -33.713 1.00 12.14 ? 168 PRO   B CA  1 
ATOM   1374 C C   . PRO   A 1 162 ? -22.279 -19.160 -32.649 1.00 12.33 ? 168 PRO   B C   1 
ATOM   1375 O O   . PRO   A 1 162 ? -23.497 -19.392 -32.714 1.00 13.02 ? 168 PRO   B O   1 
ATOM   1376 C CB  . PRO   A 1 162 ? -21.291 -18.824 -34.942 1.00 12.69 ? 168 PRO   B CB  1 
ATOM   1377 C CG  . PRO   A 1 162 ? -21.526 -19.797 -36.134 1.00 13.24 ? 168 PRO   B CG  1 
ATOM   1378 C CD  . PRO   A 1 162 ? -22.212 -20.989 -35.571 1.00 13.64 ? 168 PRO   B CD  1 
ATOM   1379 N N   . LEU   A 1 163 ? -21.703 -18.396 -31.750 1.00 11.96 ? 169 LEU   B N   1 
ATOM   1380 C CA  . LEU   A 1 163 ? -22.482 -17.747 -30.641 1.00 11.50 ? 169 LEU   B CA  1 
ATOM   1381 C C   . LEU   A 1 163 ? -22.607 -16.256 -30.919 1.00 12.96 ? 169 LEU   B C   1 
ATOM   1382 O O   . LEU   A 1 163 ? -21.655 -15.631 -31.335 1.00 13.12 ? 169 LEU   B O   1 
ATOM   1383 C CB  . LEU   A 1 163 ? -21.789 -17.978 -29.291 1.00 12.27 ? 169 LEU   B CB  1 
ATOM   1384 C CG  . LEU   A 1 163 ? -21.821 -19.399 -28.729 1.00 13.06 ? 169 LEU   B CG  1 
ATOM   1385 C CD1 . LEU   A 1 163 ? -20.959 -19.487 -27.493 1.00 13.83 ? 169 LEU   B CD1 1 
ATOM   1386 C CD2 . LEU   A 1 163 ? -23.253 -19.879 -28.460 1.00 14.07 ? 169 LEU   B CD2 1 
ATOM   1387 N N   . ARG   A 1 164 ? -23.745 -15.704 -30.508 1.00 11.92 ? 170 ARG   B N   1 
ATOM   1388 C CA  . ARG   A 1 164 ? -23.982 -14.249 -30.491 1.00 11.50 ? 170 ARG   B CA  1 
ATOM   1389 C C   . ARG   A 1 164 ? -24.384 -13.766 -29.100 1.00 10.04 ? 170 ARG   B C   1 
ATOM   1390 O O   . ARG   A 1 164 ? -25.135 -14.450 -28.401 1.00 10.71 ? 170 ARG   B O   1 
ATOM   1391 C CB  . ARG   A 1 164 ? -25.066 -13.920 -31.516 1.00 13.09 ? 170 ARG   B CB  1 
ATOM   1392 C CG  . ARG   A 1 164 ? -24.534 -14.301 -32.911 1.00 15.17 ? 170 ARG   B CG  1 
ATOM   1393 C CD  . ARG   A 1 164 ? -25.401 -13.892 -34.054 1.00 17.36 ? 170 ARG   B CD  1 
ATOM   1394 N NE  . ARG   A 1 164 ? -25.444 -12.455 -34.152 1.00 16.96 ? 170 ARG   B NE  1 
ATOM   1395 C CZ  . ARG   A 1 164 ? -26.171 -11.837 -35.063 1.00 16.95 ? 170 ARG   B CZ  1 
ATOM   1396 N NH1 . ARG   A 1 164 ? -26.786 -12.554 -35.967 1.00 17.08 ? 170 ARG   B NH1 1 
ATOM   1397 N NH2 . ARG   A 1 164 ? -26.224 -10.517 -35.082 1.00 14.93 ? 170 ARG   B NH2 1 
ATOM   1398 N N   . PRO   A 1 165 ? -23.916 -12.584 -28.662 1.00 10.28 ? 171 PRO   B N   1 
ATOM   1399 C CA  . PRO   A 1 165 ? -24.439 -11.969 -27.433 1.00 9.84  ? 171 PRO   B CA  1 
ATOM   1400 C C   . PRO   A 1 165 ? -25.952 -11.801 -27.587 1.00 9.70  ? 171 PRO   B C   1 
ATOM   1401 O O   . PRO   A 1 165 ? -26.461 -11.500 -28.656 1.00 10.96 ? 171 PRO   B O   1 
ATOM   1402 C CB  . PRO   A 1 165 ? -23.749 -10.613 -27.355 1.00 10.11 ? 171 PRO   B CB  1 
ATOM   1403 C CG  . PRO   A 1 165 ? -22.476 -10.801 -28.167 1.00 11.59 ? 171 PRO   B CG  1 
ATOM   1404 C CD  . PRO   A 1 165 ? -22.921 -11.698 -29.303 1.00 11.61 ? 171 PRO   B CD  1 
ATOM   1405 N N   . PHE   A 1 166 ? -26.685 -12.080 -26.497 1.00 9.32  ? 172 PHE   B N   1 
ATOM   1406 C CA  . PHE   A 1 166 ? -28.169 -12.100 -26.508 1.00 9.76  ? 172 PHE   B CA  1 
ATOM   1407 C C   . PHE   A 1 166 ? -28.701 -11.161 -25.418 1.00 9.48  ? 172 PHE   B C   1 
ATOM   1408 O O   . PHE   A 1 166 ? -28.205 -11.162 -24.266 1.00 9.31  ? 172 PHE   B O   1 
ATOM   1409 C CB  . PHE   A 1 166 ? -28.639 -13.529 -26.235 1.00 10.03 ? 172 PHE   B CB  1 
ATOM   1410 C CG  . PHE   A 1 166 ? -30.139 -13.610 -26.043 1.00 10.42 ? 172 PHE   B CG  1 
ATOM   1411 C CD1 . PHE   A 1 166 ? -30.981 -13.640 -27.133 1.00 11.10 ? 172 PHE   B CD1 1 
ATOM   1412 C CD2 . PHE   A 1 166 ? -30.730 -13.629 -24.780 1.00 11.14 ? 172 PHE   B CD2 1 
ATOM   1413 C CE1 . PHE   A 1 166 ? -32.361 -13.691 -26.980 1.00 11.35 ? 172 PHE   B CE1 1 
ATOM   1414 C CE2 . PHE   A 1 166 ? -32.110 -13.665 -24.626 1.00 10.24 ? 172 PHE   B CE2 1 
ATOM   1415 C CZ  . PHE   A 1 166 ? -32.929 -13.733 -25.731 1.00 11.59 ? 172 PHE   B CZ  1 
ATOM   1416 N N   . PHE   A 1 167 ? -29.777 -10.432 -25.765 1.00 9.37  ? 173 PHE   B N   1 
ATOM   1417 C CA  . PHE   A 1 167 ? -30.371 -9.412  -24.869 1.00 9.34  ? 173 PHE   B CA  1 
ATOM   1418 C C   . PHE   A 1 167 ? -31.882 -9.482  -24.996 1.00 9.65  ? 173 PHE   B C   1 
ATOM   1419 O O   . PHE   A 1 167 ? -32.411 -9.528  -26.110 1.00 10.19 ? 173 PHE   B O   1 
ATOM   1420 C CB  . PHE   A 1 167 ? -29.901 -7.987  -25.239 1.00 10.68 ? 173 PHE   B CB  1 
ATOM   1421 C CG  . PHE   A 1 167 ? -28.407 -7.820  -25.337 1.00 9.77  ? 173 PHE   B CG  1 
ATOM   1422 C CD1 . PHE   A 1 167 ? -27.773 -8.149  -26.527 1.00 10.20 ? 173 PHE   B CD1 1 
ATOM   1423 C CD2 . PHE   A 1 167 ? -27.641 -7.354  -24.279 1.00 11.95 ? 173 PHE   B CD2 1 
ATOM   1424 C CE1 . PHE   A 1 167 ? -26.386 -8.098  -26.638 1.00 9.84  ? 173 PHE   B CE1 1 
ATOM   1425 C CE2 . PHE   A 1 167 ? -26.271 -7.243  -24.421 1.00 11.74 ? 173 PHE   B CE2 1 
ATOM   1426 C CZ  . PHE   A 1 167 ? -25.646 -7.601  -25.598 1.00 11.77 ? 173 PHE   B CZ  1 
ATOM   1427 N N   . ASN   A 1 168 ? -32.566 -9.267  -23.875 1.00 9.95  ? 174 ASN   B N   1 
ATOM   1428 C CA  . ASN   A 1 168 ? -34.034 -9.043  -23.829 1.00 9.05  ? 174 ASN   B CA  1 
ATOM   1429 C C   . ASN   A 1 168 ? -34.255 -7.909  -22.838 1.00 9.58  ? 174 ASN   B C   1 
ATOM   1430 O O   . ASN   A 1 168 ? -33.925 -8.054  -21.652 1.00 10.66 ? 174 ASN   B O   1 
ATOM   1431 C CB  . ASN   A 1 168 ? -34.812 -10.298 -23.415 1.00 10.13 ? 174 ASN   B CB  1 
ATOM   1432 C CG  . ASN   A 1 168 ? -36.312 -10.137 -23.483 1.00 12.58 ? 174 ASN   B CG  1 
ATOM   1433 O OD1 . ASN   A 1 168 ? -36.810 -9.081  -23.814 1.00 12.88 ? 174 ASN   B OD1 1 
ATOM   1434 N ND2 . ASN   A 1 168 ? -37.030 -11.219 -23.237 1.00 14.39 ? 174 ASN   B ND2 1 
ATOM   1435 N N   . VAL   A 1 169 ? -34.812 -6.779  -23.325 1.00 10.11 ? 175 VAL   B N   1 
ATOM   1436 C CA  . VAL   A 1 169 ? -35.081 -5.617  -22.428 1.00 10.05 ? 175 VAL   B CA  1 
ATOM   1437 C C   . VAL   A 1 169 ? -36.313 -5.875  -21.532 1.00 10.56 ? 175 VAL   B C   1 
ATOM   1438 O O   . VAL   A 1 169 ? -36.566 -5.055  -20.640 1.00 10.53 ? 175 VAL   B O   1 
ATOM   1439 C CB  . VAL   A 1 169 ? -35.197 -4.276  -23.188 1.00 11.21 ? 175 VAL   B CB  1 
ATOM   1440 C CG1 . VAL   A 1 169 ? -33.900 -3.953  -23.920 1.00 11.87 ? 175 VAL   B CG1 1 
ATOM   1441 C CG2 . VAL   A 1 169 ? -36.387 -4.262  -24.142 1.00 11.00 ? 175 VAL   B CG2 1 
ATOM   1442 N N   . GLY   A 1 170 ? -37.099 -6.895  -21.857 1.00 10.97 ? 176 GLY   B N   1 
ATOM   1443 C CA  . GLY   A 1 170 ? -38.373 -7.179  -21.159 1.00 11.89 ? 176 GLY   B CA  1 
ATOM   1444 C C   . GLY   A 1 170 ? -39.521 -6.288  -21.565 1.00 12.43 ? 176 GLY   B C   1 
ATOM   1445 O O   . GLY   A 1 170 ? -39.326 -5.225  -22.161 1.00 11.40 ? 176 GLY   B O   1 
ATOM   1446 N N   . PHE   A 1 171 ? -40.715 -6.779  -21.270 1.00 12.64 ? 177 PHE   B N   1 
ATOM   1447 C CA  . PHE   A 1 171 ? -41.931 -5.962  -21.488 1.00 13.07 ? 177 PHE   B CA  1 
ATOM   1448 C C   . PHE   A 1 171 ? -41.997 -4.845  -20.467 1.00 12.54 ? 177 PHE   B C   1 
ATOM   1449 O O   . PHE   A 1 171 ? -41.255 -4.818  -19.481 1.00 11.71 ? 177 PHE   B O   1 
ATOM   1450 C CB  . PHE   A 1 171 ? -43.204 -6.810  -21.536 1.00 14.15 ? 177 PHE   B CB  1 
ATOM   1451 C CG  . PHE   A 1 171 ? -43.288 -7.725  -22.734 1.00 16.00 ? 177 PHE   B CG  1 
ATOM   1452 C CD1 . PHE   A 1 171 ? -43.751 -7.270  -23.949 1.00 18.21 ? 177 PHE   B CD1 1 
ATOM   1453 C CD2 . PHE   A 1 171 ? -42.952 -9.037  -22.611 1.00 17.09 ? 177 PHE   B CD2 1 
ATOM   1454 C CE1 . PHE   A 1 171 ? -43.835 -8.116  -25.049 1.00 18.86 ? 177 PHE   B CE1 1 
ATOM   1455 C CE2 . PHE   A 1 171 ? -43.065 -9.896  -23.697 1.00 17.25 ? 177 PHE   B CE2 1 
ATOM   1456 C CZ  . PHE   A 1 171 ? -43.489 -9.427  -24.895 1.00 16.66 ? 177 PHE   B CZ  1 
ATOM   1457 N N   . ASN   A 1 172 ? -42.885 -3.921  -20.712 1.00 12.67 ? 178 ASN   B N   1 
ATOM   1458 C CA  . ASN   A 1 172 ? -43.088 -2.772  -19.786 1.00 11.44 ? 178 ASN   B CA  1 
ATOM   1459 C C   . ASN   A 1 172 ? -44.610 -2.581  -19.565 1.00 11.64 ? 178 ASN   B C   1 
ATOM   1460 O O   . ASN   A 1 172 ? -45.101 -1.448  -19.621 1.00 13.83 ? 178 ASN   B O   1 
ATOM   1461 C CB  . ASN   A 1 172 ? -42.436 -1.510  -20.305 1.00 12.08 ? 178 ASN   B CB  1 
ATOM   1462 C CG  . ASN   A 1 172 ? -42.444 -0.393  -19.298 1.00 12.25 ? 178 ASN   B CG  1 
ATOM   1463 O OD1 . ASN   A 1 172 ? -42.424 -0.588  -18.092 1.00 12.08 ? 178 ASN   B OD1 1 
ATOM   1464 N ND2 . ASN   A 1 172 ? -42.472 0.833   -19.796 1.00 14.19 ? 178 ASN   B ND2 1 
ATOM   1465 N N   . TYR   A 1 173 ? -45.288 -3.631  -19.173 1.00 12.18 ? 179 TYR   B N   1 
ATOM   1466 C CA  . TYR   A 1 173 ? -46.724 -3.524  -18.789 1.00 11.45 ? 179 TYR   B CA  1 
ATOM   1467 C C   . TYR   A 1 173 ? -46.855 -2.718  -17.499 1.00 13.14 ? 179 TYR   B C   1 
ATOM   1468 O O   . TYR   A 1 173 ? -47.922 -2.102  -17.293 1.00 14.18 ? 179 TYR   B O   1 
ATOM   1469 C CB  . TYR   A 1 173 ? -47.303 -4.933  -18.620 1.00 12.37 ? 179 TYR   B CB  1 
ATOM   1470 C CG  . TYR   A 1 173 ? -47.449 -5.756  -19.862 1.00 13.48 ? 179 TYR   B CG  1 
ATOM   1471 C CD1 . TYR   A 1 173 ? -48.456 -5.478  -20.782 1.00 15.45 ? 179 TYR   B CD1 1 
ATOM   1472 C CD2 . TYR   A 1 173 ? -46.584 -6.799  -20.120 1.00 15.24 ? 179 TYR   B CD2 1 
ATOM   1473 C CE1 . TYR   A 1 173 ? -48.575 -6.195  -21.965 1.00 15.53 ? 179 TYR   B CE1 1 
ATOM   1474 C CE2 . TYR   A 1 173 ? -46.682 -7.502  -21.334 1.00 14.72 ? 179 TYR   B CE2 1 
ATOM   1475 C CZ  . TYR   A 1 173 ? -47.681 -7.206  -22.226 1.00 15.33 ? 179 TYR   B CZ  1 
ATOM   1476 O OH  . TYR   A 1 173 ? -47.839 -7.942  -23.395 1.00 19.93 ? 179 TYR   B OH  1 
ATOM   1477 N N   . SER   A 1 174 ? -45.881 -2.737  -16.606 1.00 12.14 ? 180 SER   B N   1 
ATOM   1478 C CA  . SER   A 1 174 ? -45.943 -2.128  -15.254 1.00 12.20 ? 180 SER   B CA  1 
ATOM   1479 C C   . SER   A 1 174 ? -45.668 -0.627  -15.309 1.00 12.28 ? 180 SER   B C   1 
ATOM   1480 O O   . SER   A 1 174 ? -45.916 0.047   -14.288 1.00 14.04 ? 180 SER   B O   1 
ATOM   1481 C CB  . SER   A 1 174 ? -44.957 -2.765  -14.329 1.00 13.23 ? 180 SER   B CB  1 
ATOM   1482 O OG  . SER   A 1 174 ? -43.622 -2.448  -14.778 1.00 13.21 ? 180 SER   B OG  1 
ATOM   1483 N N   . GLY   A 1 175 ? -45.047 -0.096  -16.378 1.00 10.90 ? 181 GLY   B N   1 
ATOM   1484 C CA  . GLY   A 1 175 ? -44.537 1.281   -16.354 1.00 11.46 ? 181 GLY   B CA  1 
ATOM   1485 C C   . GLY   A 1 175 ? -43.250 1.416   -15.586 1.00 12.75 ? 181 GLY   B C   1 
ATOM   1486 O O   . GLY   A 1 175 ? -42.761 2.556   -15.441 1.00 15.16 ? 181 GLY   B O   1 
ATOM   1487 N N   . GLY   A 1 176 ? -42.721 0.334   -14.997 1.00 12.06 ? 182 GLY   B N   1 
ATOM   1488 C CA  . GLY   A 1 176 ? -41.517 0.362   -14.149 1.00 11.39 ? 182 GLY   B CA  1 
ATOM   1489 C C   . GLY   A 1 176 ? -40.297 -0.240  -14.849 1.00 12.60 ? 182 GLY   B C   1 
ATOM   1490 O O   . GLY   A 1 176 ? -39.232 -0.305  -14.183 1.00 14.44 ? 182 GLY   B O   1 
ATOM   1491 N N   . ASN   A 1 177 ? -40.432 -0.659  -16.094 1.00 10.52 ? 183 ASN   B N   1 
ATOM   1492 C CA  . ASN   A 1 177 ? -39.343 -1.354  -16.815 1.00 10.79 ? 183 ASN   B CA  1 
ATOM   1493 C C   . ASN   A 1 177 ? -38.926 -0.664  -18.115 1.00 11.58 ? 183 ASN   B C   1 
ATOM   1494 O O   . ASN   A 1 177 ? -38.347 -1.327  -18.983 1.00 12.21 ? 183 ASN   B O   1 
ATOM   1495 C CB  . ASN   A 1 177 ? -39.691 -2.808  -17.083 1.00 10.58 ? 183 ASN   B CB  1 
ATOM   1496 C CG  . ASN   A 1 177 ? -38.473 -3.647  -17.405 1.00 10.61 ? 183 ASN   B CG  1 
ATOM   1497 O OD1 . ASN   A 1 177 ? -37.421 -3.436  -16.810 1.00 11.46 ? 183 ASN   B OD1 1 
ATOM   1498 N ND2 . ASN   A 1 177 ? -38.628 -4.581  -18.311 1.00 10.52 ? 183 ASN   B ND2 1 
ATOM   1499 N N   . ALA   A 1 178 ? -39.031 0.647   -18.213 1.00 12.66 ? 184 ALA   B N   1 
ATOM   1500 C CA  . ALA   A 1 178 ? -38.647 1.372   -19.449 1.00 13.69 ? 184 ALA   B CA  1 
ATOM   1501 C C   . ALA   A 1 178 ? -37.132 1.527   -19.617 1.00 13.39 ? 184 ALA   B C   1 
ATOM   1502 O O   . ALA   A 1 178 ? -36.715 1.795   -20.751 1.00 14.65 ? 184 ALA   B O   1 
ATOM   1503 C CB  . ALA   A 1 178 ? -39.291 2.767   -19.422 1.00 14.34 ? 184 ALA   B CB  1 
ATOM   1504 N N   . ALA   A 1 179 ? -36.354 1.391   -18.557 1.00 13.12 ? 185 ALA   B N   1 
ATOM   1505 C CA  . ALA   A 1 179 ? -34.906 1.711   -18.612 1.00 12.89 ? 185 ALA   B CA  1 
ATOM   1506 C C   . ALA   A 1 179 ? -34.199 0.814   -19.621 1.00 12.85 ? 185 ALA   B C   1 
ATOM   1507 O O   . ALA   A 1 179 ? -34.568 -0.342  -19.853 1.00 12.26 ? 185 ALA   B O   1 
ATOM   1508 C CB  . ALA   A 1 179 ? -34.265 1.619   -17.252 1.00 12.63 ? 185 ALA   B CB  1 
ATOM   1509 N N   . PRO   A 1 180 ? -33.104 1.324   -20.212 1.00 11.59 ? 186 PRO   B N   1 
ATOM   1510 C CA  . PRO   A 1 180 ? -32.349 0.546   -21.197 1.00 11.38 ? 186 PRO   B CA  1 
ATOM   1511 C C   . PRO   A 1 180 ? -31.423 -0.523  -20.579 1.00 10.89 ? 186 PRO   B C   1 
ATOM   1512 O O   . PRO   A 1 180 ? -31.082 -0.456  -19.413 1.00 12.05 ? 186 PRO   B O   1 
ATOM   1513 C CB  . PRO   A 1 180 ? -31.471 1.615   -21.860 1.00 12.54 ? 186 PRO   B CB  1 
ATOM   1514 C CG  . PRO   A 1 180 ? -31.242 2.637   -20.798 1.00 14.69 ? 186 PRO   B CG  1 
ATOM   1515 C CD  . PRO   A 1 180 ? -32.594 2.714   -20.070 1.00 14.29 ? 186 PRO   B CD  1 
ATOM   1516 N N   . LEU   A 1 181 ? -31.064 -1.496  -21.422 1.00 10.84 ? 187 LEU   B N   1 
ATOM   1517 C CA  . LEU   A 1 181 ? -29.807 -2.238  -21.234 1.00 11.00 ? 187 LEU   B CA  1 
ATOM   1518 C C   . LEU   A 1 181 ? -28.672 -1.425  -21.868 1.00 10.97 ? 187 LEU   B C   1 
ATOM   1519 O O   . LEU   A 1 181 ? -28.845 -0.934  -23.016 1.00 13.57 ? 187 LEU   B O   1 
ATOM   1520 C CB  . LEU   A 1 181 ? -29.971 -3.608  -21.871 1.00 11.37 ? 187 LEU   B CB  1 
ATOM   1521 C CG  . LEU   A 1 181 ? -30.986 -4.564  -21.217 1.00 12.19 ? 187 LEU   B CG  1 
ATOM   1522 C CD1 . LEU   A 1 181 ? -31.106 -5.838  -22.043 1.00 13.36 ? 187 LEU   B CD1 1 
ATOM   1523 C CD2 . LEU   A 1 181 ? -30.628 -4.902  -19.766 1.00 13.83 ? 187 LEU   B CD2 1 
ATOM   1524 N N   . LYS   A 1 182 ? -27.526 -1.368  -21.185 1.00 11.64 ? 188 LYS   B N   1 
ATOM   1525 C CA  . LYS   A 1 182 ? -26.347 -0.621  -21.733 1.00 12.48 ? 188 LYS   B CA  1 
ATOM   1526 C C   . LYS   A 1 182 ? -25.110 -1.492  -21.672 1.00 12.55 ? 188 LYS   B C   1 
ATOM   1527 O O   . LYS   A 1 182 ? -24.767 -1.977  -20.563 1.00 13.30 ? 188 LYS   B O   1 
ATOM   1528 C CB  . LYS   A 1 182 ? -26.106 0.701   -20.988 1.00 14.32 ? 188 LYS   B CB  1 
ATOM   1529 C CG  . LYS   A 1 182 ? -27.291 1.624   -20.806 1.00 17.58 ? 188 LYS   B CG  1 
ATOM   1530 C CD  . LYS   A 1 182 ? -26.856 2.924   -20.121 1.00 22.36 ? 188 LYS   B CD  1 
ATOM   1531 C CE  . LYS   A 1 182 ? -27.987 3.839   -19.724 1.00 27.18 ? 188 LYS   B CE  1 
ATOM   1532 N NZ  . LYS   A 1 182 ? -27.450 4.936   -18.877 1.00 33.74 ? 188 LYS   B NZ  1 
ATOM   1533 N N   . LEU   A 1 183 ? -24.378 -1.561  -22.760 1.00 13.28 ? 189 LEU   B N   1 
ATOM   1534 C CA  . LEU   A 1 183 ? -23.039 -2.201  -22.762 1.00 13.28 ? 189 LEU   B CA  1 
ATOM   1535 C C   . LEU   A 1 183 ? -22.056 -1.243  -22.117 1.00 15.02 ? 189 LEU   B C   1 
ATOM   1536 O O   . LEU   A 1 183 ? -21.934 -0.107  -22.634 1.00 18.39 ? 189 LEU   B O   1 
ATOM   1537 C CB  . LEU   A 1 183 ? -22.656 -2.613  -24.187 1.00 13.98 ? 189 LEU   B CB  1 
ATOM   1538 C CG  . LEU   A 1 183 ? -23.393 -3.870  -24.652 1.00 14.97 ? 189 LEU   B CG  1 
ATOM   1539 C CD1 . LEU   A 1 183 ? -23.572 -3.981  -26.157 1.00 19.67 ? 189 LEU   B CD1 1 
ATOM   1540 C CD2 . LEU   A 1 183 ? -22.754 -5.146  -24.074 1.00 13.22 ? 189 LEU   B CD2 1 
ATOM   1541 N N   . CYS   A 1 184 ? -21.413 -1.695  -21.039 1.00 16.30 ? 190 CYS   B N   1 
ATOM   1542 C CA  . CYS   A 1 184 ? -20.522 -0.835  -20.195 1.00 18.41 ? 190 CYS   B CA  1 
ATOM   1543 C C   . CYS   A 1 184 ? -19.156 -0.754  -20.840 1.00 20.81 ? 190 CYS   B C   1 
ATOM   1544 O O   . CYS   A 1 184 ? -18.673 -1.725  -21.379 1.00 20.75 ? 190 CYS   B O   1 
ATOM   1545 C CB  . CYS   A 1 184 ? -20.212 -1.439  -18.842 1.00 20.98 ? 190 CYS   B CB  1 
ATOM   1546 S SG  . CYS   A 1 184 ? -21.643 -2.012  -17.952 1.00 21.83 ? 190 CYS   B SG  1 
ATOM   1547 N N   . PRO   A 1 185 ? -18.458 0.392   -20.710 1.00 25.43 ? 191 PRO   B N   1 
ATOM   1548 C CA  . PRO   A 1 185 ? -17.111 0.528   -21.230 1.00 30.27 ? 191 PRO   B CA  1 
ATOM   1549 C C   . PRO   A 1 185 ? -16.132 -0.420  -20.528 1.00 28.99 ? 191 PRO   B C   1 
ATOM   1550 O O   . PRO   A 1 185 ? -16.314 -0.725  -19.327 1.00 31.24 ? 191 PRO   B O   1 
ATOM   1551 C CB  . PRO   A 1 185 ? -16.804 2.028   -20.996 1.00 28.94 ? 191 PRO   B CB  1 
ATOM   1552 C CG  . PRO   A 1 185 ? -17.755 2.489   -19.933 1.00 30.02 ? 191 PRO   B CG  1 
ATOM   1553 C CD  . PRO   A 1 185 ? -18.977 1.616   -20.080 1.00 26.74 ? 191 PRO   B CD  1 
ATOM   1554 N N   . LEU   A 1 186 ? -15.181 -0.885  -21.343 1.00 36.51 ? 192 LEU   B N   1 
ATOM   1555 C CA  . LEU   A 1 186 ? -13.874 -1.525  -21.024 1.00 39.14 ? 192 LEU   B CA  1 
ATOM   1556 C C   . LEU   A 1 186 ? -13.060 -0.629  -20.085 1.00 43.08 ? 192 LEU   B C   1 
ATOM   1557 O O   . LEU   A 1 186 ? -12.254 -1.214  -19.346 1.00 46.94 ? 192 LEU   B O   1 
ATOM   1558 C CB  . LEU   A 1 186 ? -13.118 -1.721  -22.343 1.00 37.02 ? 192 LEU   B CB  1 
HETATM 1559 N N1  . A1BF0 B 2 .   ? -45.654 -5.402  -27.808 0.56 20.52 ? 201 A1BF0 B N1  1 
HETATM 1560 C C4  . A1BF0 B 2 .   ? -47.089 -5.682  -27.844 0.56 19.76 ? 201 A1BF0 B C4  1 
HETATM 1561 C C5  . A1BF0 B 2 .   ? -47.605 -6.013  -26.455 0.56 19.81 ? 201 A1BF0 B C5  1 
HETATM 1562 C C6  . A1BF0 B 2 .   ? -47.402 -4.842  -25.492 0.56 19.63 ? 201 A1BF0 B C6  1 
HETATM 1563 C C7  . A1BF0 B 2 .   ? -46.452 -3.798  -26.072 0.56 21.44 ? 201 A1BF0 B C7  1 
HETATM 1564 C C8  . A1BF0 B 2 .   ? -45.261 -4.399  -26.821 0.56 21.60 ? 201 A1BF0 B C8  1 
HETATM 1565 C C1  . A1BF0 B 2 .   ? -42.498 -6.593  -27.610 0.56 18.03 ? 201 A1BF0 B C1  1 
HETATM 1566 C C2  . A1BF0 B 2 .   ? -43.297 -5.671  -28.488 0.56 20.42 ? 201 A1BF0 B C2  1 
HETATM 1567 C C3  . A1BF0 B 2 .   ? -44.744 -6.098  -28.514 0.56 19.32 ? 201 A1BF0 B C3  1 
HETATM 1568 C C9  . A1BF0 B 2 .   ? -46.810 -3.174  -22.530 0.56 19.68 ? 201 A1BF0 B C9  1 
HETATM 1569 N N2  . A1BF0 B 2 .   ? -45.895 -2.860  -25.083 0.56 19.54 ? 201 A1BF0 B N2  1 
HETATM 1570 O O1  . A1BF0 B 2 .   ? -45.062 -7.130  -29.094 0.56 22.19 ? 201 A1BF0 B O1  1 
HETATM 1571 O O2  . A1BF0 B 2 .   ? -44.472 -3.950  -23.228 0.56 20.37 ? 201 A1BF0 B O2  1 
HETATM 1572 O O3  . A1BF0 B 2 .   ? -45.012 -1.523  -23.198 0.56 21.42 ? 201 A1BF0 B O3  1 
HETATM 1573 S S1  . A1BF0 B 2 .   ? -45.388 -2.868  -23.498 0.56 19.70 ? 201 A1BF0 B S1  1 
HETATM 1574 C C1  . EDO   C 3 .   ? -50.380 -16.973 -33.108 1.00 40.72 ? 202 EDO   B C1  1 
HETATM 1575 O O1  . EDO   C 3 .   ? -49.156 -16.279 -33.108 1.00 34.15 ? 202 EDO   B O1  1 
HETATM 1576 C C2  . EDO   C 3 .   ? -51.018 -16.964 -31.787 1.00 40.60 ? 202 EDO   B C2  1 
HETATM 1577 O O2  . EDO   C 3 .   ? -51.387 -15.644 -31.483 1.00 48.98 ? 202 EDO   B O2  1 
HETATM 1578 S S   . SO4   D 4 .   ? -40.414 -24.661 -26.226 1.00 38.45 ? 203 SO4   B S   1 
HETATM 1579 O O1  . SO4   D 4 .   ? -39.700 -23.666 -26.947 1.00 23.78 ? 203 SO4   B O1  1 
HETATM 1580 O O2  . SO4   D 4 .   ? -41.342 -25.316 -27.103 1.00 43.98 ? 203 SO4   B O2  1 
HETATM 1581 O O3  . SO4   D 4 .   ? -39.464 -25.632 -25.713 1.00 44.95 ? 203 SO4   B O3  1 
HETATM 1582 O O4  . SO4   D 4 .   ? -41.101 -24.087 -25.097 1.00 40.77 ? 203 SO4   B O4  1 
HETATM 1583 O O   . HOH   E 5 .   ? -26.874 -28.520 -27.776 1.00 26.10 ? 301 HOH   B O   1 
HETATM 1584 O O   . HOH   E 5 .   ? -44.976 7.472   -24.631 1.00 33.41 ? 302 HOH   B O   1 
HETATM 1585 O O   . HOH   E 5 .   ? -43.821 -0.181  -24.870 1.00 50.59 ? 303 HOH   B O   1 
HETATM 1586 O O   . HOH   E 5 .   ? -22.751 -1.718  -9.754  1.00 26.65 ? 304 HOH   B O   1 
HETATM 1587 O O   . HOH   E 5 .   ? -38.383 0.533   -12.026 1.00 30.64 ? 305 HOH   B O   1 
HETATM 1588 O O   . HOH   E 5 .   ? -40.050 -1.109  -9.739  1.00 29.15 ? 306 HOH   B O   1 
HETATM 1589 O O   . HOH   E 5 .   ? -18.671 -21.987 -35.676 1.00 16.98 ? 307 HOH   B O   1 
HETATM 1590 O O   . HOH   E 5 .   ? -45.402 0.145   -11.818 1.00 30.20 ? 308 HOH   B O   1 
HETATM 1591 O O   . HOH   E 5 .   ? -13.469 -23.559 -31.445 1.00 15.85 ? 309 HOH   B O   1 
HETATM 1592 O O   . HOH   E 5 .   ? -29.560 -12.615 -37.674 1.00 23.92 ? 310 HOH   B O   1 
HETATM 1593 O O   . HOH   E 5 .   ? -38.774 -15.395 -11.683 1.00 30.64 ? 311 HOH   B O   1 
HETATM 1594 O O   . HOH   E 5 .   ? -26.220 3.473   -35.241 1.00 32.33 ? 312 HOH   B O   1 
HETATM 1595 O O   . HOH   E 5 .   ? -36.615 -23.111 -30.755 1.00 31.00 ? 313 HOH   B O   1 
HETATM 1596 O O   . HOH   E 5 .   ? -32.932 1.054   -33.526 1.00 19.22 ? 314 HOH   B O   1 
HETATM 1597 O O   . HOH   E 5 .   ? -46.576 3.949   -34.341 1.00 28.79 ? 315 HOH   B O   1 
HETATM 1598 O O   . HOH   E 5 .   ? -15.566 -5.336  -13.633 1.00 30.47 ? 316 HOH   B O   1 
HETATM 1599 O O   . HOH   E 5 .   ? -38.268 3.769   -41.910 1.00 29.53 ? 317 HOH   B O   1 
HETATM 1600 O O   . HOH   E 5 .   ? -9.521  -18.483 -30.282 1.00 48.85 ? 318 HOH   B O   1 
HETATM 1601 O O   . HOH   E 5 .   ? -47.093 -16.970 -31.637 1.00 24.51 ? 319 HOH   B O   1 
HETATM 1602 O O   . HOH   E 5 .   ? -19.248 -29.692 -15.576 1.00 29.86 ? 320 HOH   B O   1 
HETATM 1603 O O   . HOH   E 5 .   ? -24.521 -30.996 -21.932 1.00 32.02 ? 321 HOH   B O   1 
HETATM 1604 O O   . HOH   E 5 .   ? -35.953 -22.467 -19.541 1.00 25.33 ? 322 HOH   B O   1 
HETATM 1605 O O   . HOH   E 5 .   ? -37.981 2.805   -22.843 1.00 20.66 ? 323 HOH   B O   1 
HETATM 1606 O O   . HOH   E 5 .   ? -9.034  -13.439 -25.125 1.00 31.70 ? 324 HOH   B O   1 
HETATM 1607 O O   . HOH   E 5 .   ? -36.824 -16.440 -39.279 1.00 27.99 ? 325 HOH   B O   1 
HETATM 1608 O O   . HOH   E 5 .   ? -36.232 5.437   -15.783 1.00 28.02 ? 326 HOH   B O   1 
HETATM 1609 O O   . HOH   E 5 .   ? -36.653 -26.132 -23.696 1.00 34.34 ? 327 HOH   B O   1 
HETATM 1610 O O   . HOH   E 5 .   ? -17.602 -21.250 -12.327 1.00 17.69 ? 328 HOH   B O   1 
HETATM 1611 O O   . HOH   E 5 .   ? -23.893 1.231   -10.777 1.00 34.23 ? 329 HOH   B O   1 
HETATM 1612 O O   . HOH   E 5 .   ? -25.867 -22.698 -35.605 1.00 26.61 ? 330 HOH   B O   1 
HETATM 1613 O O   . HOH   E 5 .   ? -12.590 -21.260 -18.579 1.00 25.76 ? 331 HOH   B O   1 
HETATM 1614 O O   . HOH   E 5 .   ? -30.202 -24.035 -33.741 1.00 25.72 ? 332 HOH   B O   1 
HETATM 1615 O O   . HOH   E 5 .   ? -35.690 -19.289 -30.358 1.00 35.12 ? 333 HOH   B O   1 
HETATM 1616 O O   . HOH   E 5 .   ? -47.051 1.244   -25.655 1.00 21.79 ? 334 HOH   B O   1 
HETATM 1617 O O   . HOH   E 5 .   ? -17.546 -27.614 -19.513 1.00 18.35 ? 335 HOH   B O   1 
HETATM 1618 O O   . HOH   E 5 .   ? -25.576 -14.247 -3.200  1.00 31.47 ? 336 HOH   B O   1 
HETATM 1619 O O   . HOH   E 5 .   ? -30.806 -6.650  -11.269 1.00 13.68 ? 337 HOH   B O   1 
HETATM 1620 O O   . HOH   E 5 .   ? -30.844 -20.314 -21.254 1.00 12.71 ? 338 HOH   B O   1 
HETATM 1621 O O   . HOH   E 5 .   ? -49.813 -2.489  -19.183 1.00 22.72 ? 339 HOH   B O   1 
HETATM 1622 O O   . HOH   E 5 .   ? -26.539 -25.668 -16.289 1.00 17.73 ? 340 HOH   B O   1 
HETATM 1623 O O   . HOH   E 5 .   ? -16.158 -19.638 -15.588 1.00 23.70 ? 341 HOH   B O   1 
HETATM 1624 O O   . HOH   E 5 .   ? -13.563 -21.038 -35.100 1.00 31.29 ? 342 HOH   B O   1 
HETATM 1625 O O   . HOH   E 5 .   ? -42.673 -5.728  -12.335 1.00 20.94 ? 343 HOH   B O   1 
HETATM 1626 O O   . HOH   E 5 .   ? -37.942 -14.438 -21.393 1.00 32.47 ? 344 HOH   B O   1 
HETATM 1627 O O   . HOH   E 5 .   ? -38.590 -7.663  -10.738 1.00 14.95 ? 345 HOH   B O   1 
HETATM 1628 O O   . HOH   E 5 .   ? -30.795 1.193   -17.090 1.00 26.43 ? 346 HOH   B O   1 
HETATM 1629 O O   . HOH   E 5 .   ? -37.333 -25.411 -11.152 1.00 35.96 ? 347 HOH   B O   1 
HETATM 1630 O O   . HOH   E 5 .   ? -23.324 4.301   -24.636 1.00 22.73 ? 348 HOH   B O   1 
HETATM 1631 O O   . HOH   E 5 .   ? -32.307 4.677   -32.980 1.00 22.19 ? 349 HOH   B O   1 
HETATM 1632 O O   . HOH   E 5 .   ? -26.546 2.010   -11.078 1.00 27.44 ? 350 HOH   B O   1 
HETATM 1633 O O   . HOH   E 5 .   ? -27.777 -27.492 -25.760 1.00 28.63 ? 351 HOH   B O   1 
HETATM 1634 O O   . HOH   E 5 .   ? -34.087 -22.061 -31.235 1.00 17.91 ? 352 HOH   B O   1 
HETATM 1635 O O   . HOH   E 5 .   ? -35.381 -17.118 -8.063  1.00 44.23 ? 353 HOH   B O   1 
HETATM 1636 O O   . HOH   E 5 .   ? -18.494 -4.626  -24.678 1.00 16.76 ? 354 HOH   B O   1 
HETATM 1637 O O   . HOH   E 5 .   ? -38.784 -2.581  -21.387 1.00 12.90 ? 355 HOH   B O   1 
HETATM 1638 O O   . HOH   E 5 .   ? -40.996 -9.451  -36.665 1.00 28.90 ? 356 HOH   B O   1 
HETATM 1639 O O   . HOH   E 5 .   ? -32.710 -18.374 -37.151 1.00 35.29 ? 357 HOH   B O   1 
HETATM 1640 O O   . HOH   E 5 .   ? -19.352 -4.310  -22.021 1.00 15.36 ? 358 HOH   B O   1 
HETATM 1641 O O   . HOH   E 5 .   ? -10.215 -23.428 -21.678 1.00 27.84 ? 359 HOH   B O   1 
HETATM 1642 O O   . HOH   E 5 .   ? -24.295 -4.259  -36.763 1.00 33.49 ? 360 HOH   B O   1 
HETATM 1643 O O   . HOH   E 5 .   ? -10.816 -21.220 -25.010 1.00 26.03 ? 361 HOH   B O   1 
HETATM 1644 O O   . HOH   E 5 .   ? -36.217 -1.863  -33.881 1.00 22.98 ? 362 HOH   B O   1 
HETATM 1645 O O   . HOH   E 5 .   ? -45.651 -14.947 -27.552 1.00 35.93 ? 363 HOH   B O   1 
HETATM 1646 O O   . HOH   E 5 .   ? -19.320 -26.130 -31.725 1.00 18.47 ? 364 HOH   B O   1 
HETATM 1647 O O   . HOH   E 5 .   ? -26.719 -17.581 -7.690  1.00 16.17 ? 365 HOH   B O   1 
HETATM 1648 O O   . HOH   E 5 .   ? -21.151 -5.873  -2.032  1.00 39.47 ? 366 HOH   B O   1 
HETATM 1649 O O   . HOH   E 5 .   ? -20.966 -16.317 -5.435  1.00 17.57 ? 367 HOH   B O   1 
HETATM 1650 O O   . HOH   E 5 .   ? -16.686 -5.587  -9.306  1.00 29.02 ? 368 HOH   B O   1 
HETATM 1651 O O   . HOH   E 5 .   ? -23.326 2.283   -22.977 1.00 26.45 ? 369 HOH   B O   1 
HETATM 1652 O O   . HOH   E 5 .   ? -19.782 1.810   -30.479 1.00 29.50 ? 370 HOH   B O   1 
HETATM 1653 O O   . HOH   E 5 .   ? -36.580 -0.437  -42.370 1.00 30.78 ? 371 HOH   B O   1 
HETATM 1654 O O   . HOH   E 5 .   ? -45.018 -12.662 -26.355 1.00 33.94 ? 372 HOH   B O   1 
HETATM 1655 O O   . HOH   E 5 .   ? -40.778 -14.563 -8.480  1.00 26.76 ? 373 HOH   B O   1 
HETATM 1656 O O   . HOH   E 5 .   ? -17.803 -19.916 -37.425 1.00 28.37 ? 374 HOH   B O   1 
HETATM 1657 O O   . HOH   E 5 .   ? -19.166 -29.151 -23.341 1.00 25.85 ? 375 HOH   B O   1 
HETATM 1658 O O   . HOH   E 5 .   ? -42.303 -4.103  -39.372 1.00 21.69 ? 376 HOH   B O   1 
HETATM 1659 O O   . HOH   E 5 .   ? -40.269 -14.401 -31.277 1.00 14.00 ? 377 HOH   B O   1 
HETATM 1660 O O   . HOH   E 5 .   ? -20.548 -27.461 -29.765 1.00 17.28 ? 378 HOH   B O   1 
HETATM 1661 O O   . HOH   E 5 .   ? -35.506 -4.798  -42.140 1.00 21.52 ? 379 HOH   B O   1 
HETATM 1662 O O   . HOH   E 5 .   ? -14.986 -19.751 -37.432 1.00 26.14 ? 380 HOH   B O   1 
HETATM 1663 O O   . HOH   E 5 .   ? -41.090 -6.114  -37.990 1.00 29.34 ? 381 HOH   B O   1 
HETATM 1664 O O   . HOH   E 5 .   ? -32.309 -4.975  -12.929 1.00 12.69 ? 382 HOH   B O   1 
HETATM 1665 O O   . HOH   E 5 .   ? -37.048 0.854   -15.598 1.00 17.05 ? 383 HOH   B O   1 
HETATM 1666 O O   . HOH   E 5 .   ? -45.680 -19.677 -31.507 1.00 26.39 ? 384 HOH   B O   1 
HETATM 1667 O O   . HOH   E 5 .   ? -41.667 -9.854  -43.762 1.00 31.58 ? 385 HOH   B O   1 
HETATM 1668 O O   . HOH   E 5 .   ? -12.741 -18.462 -34.688 1.00 35.98 ? 386 HOH   B O   1 
HETATM 1669 O O   . HOH   E 5 .   ? -36.580 -1.036  -22.173 1.00 13.48 ? 387 HOH   B O   1 
HETATM 1670 O O   . HOH   E 5 .   ? -41.165 5.439   -28.480 1.00 29.83 ? 388 HOH   B O   1 
HETATM 1671 O O   . HOH   E 5 .   ? -41.255 -8.514  -13.391 1.00 22.33 ? 389 HOH   B O   1 
HETATM 1672 O O   . HOH   E 5 .   ? -14.453 -16.575 -33.044 1.00 28.24 ? 390 HOH   B O   1 
HETATM 1673 O O   . HOH   E 5 .   ? -17.949 -4.279  -5.825  1.00 34.74 ? 391 HOH   B O   1 
HETATM 1674 O O   . HOH   E 5 .   ? -9.246  -20.736 -28.727 1.00 40.45 ? 392 HOH   B O   1 
HETATM 1675 O O   . HOH   E 5 .   ? -33.488 -1.897  -38.335 1.00 24.94 ? 393 HOH   B O   1 
HETATM 1676 O O   . HOH   E 5 .   ? -23.994 -26.663 -15.940 1.00 21.65 ? 394 HOH   B O   1 
HETATM 1677 O O   . HOH   E 5 .   ? -25.285 -10.479 -23.513 1.00 12.29 ? 395 HOH   B O   1 
HETATM 1678 O O   . HOH   E 5 .   ? -33.420 -14.834 -6.922  1.00 22.17 ? 396 HOH   B O   1 
HETATM 1679 O O   . HOH   E 5 .   ? -45.907 -4.497  -33.893 1.00 23.59 ? 397 HOH   B O   1 
HETATM 1680 O O   . HOH   E 5 .   ? -39.931 2.646   -16.156 1.00 16.86 ? 398 HOH   B O   1 
HETATM 1681 O O   . HOH   E 5 .   ? -41.303 -7.899  -3.327  1.00 37.87 ? 399 HOH   B O   1 
HETATM 1682 O O   . HOH   E 5 .   ? -24.038 -12.329 -6.548  1.00 16.99 ? 400 HOH   B O   1 
HETATM 1683 O O   . HOH   E 5 .   ? -31.002 4.021   -24.344 1.00 23.05 ? 401 HOH   B O   1 
HETATM 1684 O O   . HOH   E 5 .   ? -25.739 -26.997 -23.708 1.00 17.10 ? 402 HOH   B O   1 
HETATM 1685 O O   . HOH   E 5 .   ? -16.090 -14.621 -8.564  1.00 32.09 ? 403 HOH   B O   1 
HETATM 1686 O O   . HOH   E 5 .   ? -18.244 -17.364 -36.273 1.00 26.99 ? 404 HOH   B O   1 
HETATM 1687 O O   . HOH   E 5 .   ? -24.857 -14.984 -6.755  1.00 15.60 ? 405 HOH   B O   1 
HETATM 1688 O O   . HOH   E 5 .   ? -9.278  -16.078 -26.414 1.00 26.27 ? 406 HOH   B O   1 
HETATM 1689 O O   . HOH   E 5 .   ? -40.800 6.278   -33.084 1.00 27.85 ? 407 HOH   B O   1 
HETATM 1690 O O   . HOH   E 5 .   ? -31.488 3.399   -26.865 1.00 23.14 ? 408 HOH   B O   1 
HETATM 1691 O O   . HOH   E 5 .   ? -18.011 -15.976 -6.087  1.00 23.96 ? 409 HOH   B O   1 
HETATM 1692 O O   . HOH   E 5 .   ? -35.812 -3.437  -9.975  1.00 49.31 ? 410 HOH   B O   1 
HETATM 1693 O O   . HOH   E 5 .   ? -13.224 -6.234  -29.155 1.00 32.20 ? 411 HOH   B O   1 
HETATM 1694 O O   . HOH   E 5 .   ? -39.907 -11.703 -22.691 1.00 28.66 ? 412 HOH   B O   1 
HETATM 1695 O O   . HOH   E 5 .   ? -24.838 -11.026 -4.125  1.00 21.75 ? 413 HOH   B O   1 
HETATM 1696 O O   . HOH   E 5 .   ? -28.870 7.709   -30.067 1.00 27.59 ? 414 HOH   B O   1 
HETATM 1697 O O   . HOH   E 5 .   ? -16.168 -11.754 -5.102  1.00 43.84 ? 415 HOH   B O   1 
HETATM 1698 O O   . HOH   E 5 .   ? -34.198 -22.091 -36.190 1.00 42.36 ? 416 HOH   B O   1 
HETATM 1699 O O   . HOH   E 5 .   ? -38.572 3.935   -13.762 1.00 37.38 ? 417 HOH   B O   1 
HETATM 1700 O O   . HOH   E 5 .   ? -34.301 -7.169  -7.886  1.00 30.08 ? 418 HOH   B O   1 
HETATM 1701 O O   . HOH   E 5 .   ? -17.850 -11.181 -35.514 1.00 24.73 ? 419 HOH   B O   1 
HETATM 1702 O O   . HOH   E 5 .   ? -42.508 1.148   -22.801 1.00 31.52 ? 420 HOH   B O   1 
HETATM 1703 O O   . HOH   E 5 .   ? -47.714 0.000   -32.640 0.50 20.99 ? 421 HOH   B O   1 
HETATM 1704 O O   . HOH   E 5 .   ? -42.454 -5.197  -43.611 1.00 19.95 ? 422 HOH   B O   1 
HETATM 1705 O O   . HOH   E 5 .   ? -40.332 -7.576  -34.694 1.00 20.91 ? 423 HOH   B O   1 
HETATM 1706 O O   . HOH   E 5 .   ? -34.803 -9.032  -6.016  1.00 42.76 ? 424 HOH   B O   1 
HETATM 1707 O O   . HOH   E 5 .   ? -41.022 -8.982  -19.179 1.00 15.92 ? 425 HOH   B O   1 
HETATM 1708 O O   . HOH   E 5 .   ? -43.211 3.636   -18.769 1.00 18.93 ? 426 HOH   B O   1 
HETATM 1709 O O   . HOH   E 5 .   ? -30.818 -17.392 -42.679 1.00 33.65 ? 427 HOH   B O   1 
HETATM 1710 O O   . HOH   E 5 .   ? -19.821 2.305   -23.958 1.00 36.54 ? 428 HOH   B O   1 
HETATM 1711 O O   . HOH   E 5 .   ? -25.223 6.988   -28.827 1.00 28.64 ? 429 HOH   B O   1 
HETATM 1712 O O   . HOH   E 5 .   ? -32.786 -23.613 -33.363 1.00 34.70 ? 430 HOH   B O   1 
HETATM 1713 O O   . HOH   E 5 .   ? -16.058 -7.351  -11.249 1.00 29.74 ? 431 HOH   B O   1 
HETATM 1714 O O   . HOH   E 5 .   ? -36.720 -6.639  -8.901  1.00 31.52 ? 432 HOH   B O   1 
HETATM 1715 O O   . HOH   E 5 .   ? -8.366  -23.122 -30.149 1.00 31.15 ? 433 HOH   B O   1 
HETATM 1716 O O   . HOH   E 5 .   ? -36.656 1.832   -42.433 1.00 50.80 ? 434 HOH   B O   1 
HETATM 1717 O O   . HOH   E 5 .   ? -26.208 -28.203 -21.383 1.00 34.83 ? 435 HOH   B O   1 
HETATM 1718 O O   . HOH   E 5 .   ? -21.741 6.932   -32.202 1.00 30.66 ? 436 HOH   B O   1 
HETATM 1719 O O   . HOH   E 5 .   ? -39.966 5.160   -22.076 1.00 28.61 ? 437 HOH   B O   1 
HETATM 1720 O O   . HOH   E 5 .   ? -22.896 3.355   -20.624 1.00 36.93 ? 438 HOH   B O   1 
HETATM 1721 O O   . HOH   E 5 .   ? -38.708 -16.522 -40.804 1.00 39.59 ? 439 HOH   B O   1 
HETATM 1722 O O   . HOH   E 5 .   ? -15.900 -22.219 -14.462 1.00 27.93 ? 440 HOH   B O   1 
HETATM 1723 O O   . HOH   E 5 .   ? -28.390 -27.677 -16.808 1.00 24.80 ? 441 HOH   B O   1 
HETATM 1724 O O   . HOH   E 5 .   ? -16.050 -26.997 -17.077 1.00 39.39 ? 442 HOH   B O   1 
HETATM 1725 O O   . HOH   E 5 .   ? -26.369 -31.232 -23.896 1.00 29.68 ? 443 HOH   B O   1 
HETATM 1726 O O   . HOH   E 5 .   ? -42.097 -13.082 -22.255 1.00 31.91 ? 444 HOH   B O   1 
# 
