data_7HNO
# 
_entry.id   7HNO 
# 
_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   7HNO         pdb_00007hno 10.2210/pdb7hno/pdb 
WWPDB D_1001407702 ?            ?                   
# 
_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                        7HNO 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'            21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                                  62.068    3   ?        ? ? ? 
3 non-polymer syn 'N-{4-[(morpholin-4-yl)methyl]phenyl}acetamide' 234.294   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                   96.063    1   ?        ? ? ? 
5 water       nat water                                           18.015    140 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                                  EDO 
3 'N-{4-[(morpholin-4-yl)methyl]phenyl}acetamide' RV4 
4 'SULFATE ION'                                   SO4 
5 water                                           HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                         ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                                        ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                                      ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                 ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                                        ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                                  'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE                                       ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                 ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                                         ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                                       ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                                           ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                      ?                 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                                         ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                                          ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                                      ?                 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                                   ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                                         ?                 'C5 H9 N O2'     115.130 
RV4 non-polymer         . 'N-{4-[(morpholin-4-yl)methyl]phenyl}acetamide' ?                 'C13 H18 N2 O2'  234.294 
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        RV4 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   RV4 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 EDO 1   201 202 EDO EDO B . 
C 3 RV4 1   202 302 RV4 LIG B . 
D 2 EDO 1   203 303 EDO EDO B . 
E 2 EDO 1   204 305 EDO EDO B . 
F 4 SO4 1   205 1   SO4 SO4 B . 
G 5 HOH 1   301 4   HOH HOH B . 
G 5 HOH 2   302 12  HOH HOH B . 
G 5 HOH 3   303 11  HOH HOH B . 
G 5 HOH 4   304 2   HOH HOH B . 
G 5 HOH 5   305 80  HOH HOH B . 
G 5 HOH 6   306 1   HOH HOH B . 
G 5 HOH 7   307 40  HOH HOH B . 
G 5 HOH 8   308 9   HOH HOH B . 
G 5 HOH 9   309 63  HOH HOH B . 
G 5 HOH 10  310 27  HOH HOH B . 
G 5 HOH 11  311 16  HOH HOH B . 
G 5 HOH 12  312 33  HOH HOH B . 
G 5 HOH 13  313 5   HOH HOH B . 
G 5 HOH 14  314 99  HOH HOH B . 
G 5 HOH 15  315 102 HOH HOH B . 
G 5 HOH 16  316 129 HOH HOH B . 
G 5 HOH 17  317 90  HOH HOH B . 
G 5 HOH 18  318 26  HOH HOH B . 
G 5 HOH 19  319 70  HOH HOH B . 
G 5 HOH 20  320 85  HOH HOH B . 
G 5 HOH 21  321 11  HOH HOH B . 
G 5 HOH 22  322 89  HOH HOH B . 
G 5 HOH 23  323 31  HOH HOH B . 
G 5 HOH 24  324 66  HOH HOH B . 
G 5 HOH 25  325 51  HOH HOH B . 
G 5 HOH 26  326 95  HOH HOH B . 
G 5 HOH 27  327 81  HOH HOH B . 
G 5 HOH 28  328 21  HOH HOH B . 
G 5 HOH 29  329 267 HOH HOH B . 
G 5 HOH 30  330 36  HOH HOH B . 
G 5 HOH 31  331 10  HOH HOH B . 
G 5 HOH 32  332 62  HOH HOH B . 
G 5 HOH 33  333 39  HOH HOH B . 
G 5 HOH 34  334 86  HOH HOH B . 
G 5 HOH 35  335 100 HOH HOH B . 
G 5 HOH 36  336 25  HOH HOH B . 
G 5 HOH 37  337 211 HOH HOH B . 
G 5 HOH 38  338 29  HOH HOH B . 
G 5 HOH 39  339 68  HOH HOH B . 
G 5 HOH 40  340 16  HOH HOH B . 
G 5 HOH 41  341 126 HOH HOH B . 
G 5 HOH 42  342 58  HOH HOH B . 
G 5 HOH 43  343 15  HOH HOH B . 
G 5 HOH 44  344 10  HOH HOH B . 
G 5 HOH 45  345 72  HOH HOH B . 
G 5 HOH 46  346 22  HOH HOH B . 
G 5 HOH 47  347 20  HOH HOH B . 
G 5 HOH 48  348 18  HOH HOH B . 
G 5 HOH 49  349 2   HOH HOH B . 
G 5 HOH 50  350 34  HOH HOH B . 
G 5 HOH 51  351 19  HOH HOH B . 
G 5 HOH 52  352 214 HOH HOH B . 
G 5 HOH 53  353 71  HOH HOH B . 
G 5 HOH 54  354 93  HOH HOH B . 
G 5 HOH 55  355 7   HOH HOH B . 
G 5 HOH 56  356 73  HOH HOH B . 
G 5 HOH 57  357 60  HOH HOH B . 
G 5 HOH 58  358 76  HOH HOH B . 
G 5 HOH 59  359 47  HOH HOH B . 
G 5 HOH 60  360 4   HOH HOH B . 
G 5 HOH 61  361 26  HOH HOH B . 
G 5 HOH 62  362 157 HOH HOH B . 
G 5 HOH 63  363 61  HOH HOH B . 
G 5 HOH 64  364 50  HOH HOH B . 
G 5 HOH 65  365 27  HOH HOH B . 
G 5 HOH 66  366 1   HOH HOH B . 
G 5 HOH 67  367 43  HOH HOH B . 
G 5 HOH 68  368 6   HOH HOH B . 
G 5 HOH 69  369 304 HOH HOH B . 
G 5 HOH 70  370 3   HOH HOH B . 
G 5 HOH 71  371 13  HOH HOH B . 
G 5 HOH 72  372 264 HOH HOH B . 
G 5 HOH 73  373 64  HOH HOH B . 
G 5 HOH 74  374 8   HOH HOH B . 
G 5 HOH 75  375 24  HOH HOH B . 
G 5 HOH 76  376 59  HOH HOH B . 
G 5 HOH 77  377 259 HOH HOH B . 
G 5 HOH 78  378 82  HOH HOH B . 
G 5 HOH 79  379 14  HOH HOH B . 
G 5 HOH 80  380 55  HOH HOH B . 
G 5 HOH 81  381 3   HOH HOH B . 
G 5 HOH 82  382 32  HOH HOH B . 
G 5 HOH 83  383 42  HOH HOH B . 
G 5 HOH 84  384 303 HOH HOH B . 
G 5 HOH 85  385 30  HOH HOH B . 
G 5 HOH 86  386 22  HOH HOH B . 
G 5 HOH 87  387 48  HOH HOH B . 
G 5 HOH 88  388 97  HOH HOH B . 
G 5 HOH 89  389 32  HOH HOH B . 
G 5 HOH 90  390 46  HOH HOH B . 
G 5 HOH 91  391 23  HOH HOH B . 
G 5 HOH 92  392 125 HOH HOH B . 
G 5 HOH 93  393 33  HOH HOH B . 
G 5 HOH 94  394 45  HOH HOH B . 
G 5 HOH 95  395 116 HOH HOH B . 
G 5 HOH 96  396 18  HOH HOH B . 
G 5 HOH 97  397 140 HOH HOH B . 
G 5 HOH 98  398 12  HOH HOH B . 
G 5 HOH 99  399 137 HOH HOH B . 
G 5 HOH 100 400 56  HOH HOH B . 
G 5 HOH 101 401 8   HOH HOH B . 
G 5 HOH 102 402 25  HOH HOH B . 
G 5 HOH 103 403 49  HOH HOH B . 
G 5 HOH 104 404 7   HOH HOH B . 
G 5 HOH 105 405 17  HOH HOH B . 
G 5 HOH 106 406 263 HOH HOH B . 
G 5 HOH 107 407 38  HOH HOH B . 
G 5 HOH 108 408 281 HOH HOH B . 
G 5 HOH 109 409 57  HOH HOH B . 
G 5 HOH 110 410 15  HOH HOH B . 
G 5 HOH 111 411 20  HOH HOH B . 
G 5 HOH 112 412 54  HOH HOH B . 
G 5 HOH 113 413 112 HOH HOH B . 
G 5 HOH 114 414 5   HOH HOH B . 
G 5 HOH 115 415 197 HOH HOH B . 
G 5 HOH 116 416 41  HOH HOH B . 
G 5 HOH 117 417 53  HOH HOH B . 
G 5 HOH 118 418 19  HOH HOH B . 
G 5 HOH 119 419 120 HOH HOH B . 
G 5 HOH 120 420 257 HOH HOH B . 
G 5 HOH 121 421 44  HOH HOH B . 
G 5 HOH 122 422 69  HOH HOH B . 
G 5 HOH 123 423 154 HOH HOH B . 
G 5 HOH 124 424 266 HOH HOH B . 
G 5 HOH 125 425 114 HOH HOH B . 
G 5 HOH 126 426 115 HOH HOH B . 
G 5 HOH 127 427 30  HOH HOH B . 
G 5 HOH 128 428 133 HOH HOH B . 
G 5 HOH 129 429 13  HOH HOH B . 
G 5 HOH 130 430 107 HOH HOH B . 
G 5 HOH 131 431 21  HOH HOH B . 
G 5 HOH 132 432 98  HOH HOH B . 
G 5 HOH 133 433 23  HOH HOH B . 
G 5 HOH 134 434 104 HOH HOH B . 
G 5 HOH 135 435 166 HOH HOH B . 
G 5 HOH 136 436 205 HOH HOH B . 
G 5 HOH 137 437 127 HOH HOH B . 
G 5 HOH 138 438 131 HOH HOH B . 
G 5 HOH 139 439 14  HOH HOH B . 
G 5 HOH 140 440 270 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           7HNO 
_cell.length_a           95.310 
_cell.length_b           95.310 
_cell.length_c           45.663 
_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                         7HNO 
_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          7HNO 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.40 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.77 
_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                     7HNO 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.380 
_reflns.d_resolution_high            1.330 
_reflns.number_obs                   47087 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         99.900 
_reflns.pdbx_Rmerge_I_obs            0.096 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        13.900 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.600 
_reflns.pdbx_Rrim_I_all              0.100 
_reflns.pdbx_Rpim_I_all              0.028 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     547516 
_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 1.330 1.350  ? 11298 2312 ? 1.707 ? ? ? 4.900  ? 0.500  ? ? ? ? ? ? 98.000 1.913 0.838 0.313 
1 2 7.290 67.380 ? 3817  317  ? 0.066 ? ? ? 12.000 ? 73.700 ? ? ? ? ? ? 99.900 0.070 0.022 0.988 
# 
_refine.entry_id                                 7HNO 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3300 
_refine.ls_d_res_low                             67.3900 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.7100 
_refine.ls_number_reflns_obs                     44765 
_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                          0.1729 
_refine.ls_R_factor_R_work                       0.1721 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1887 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2266 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               18.2790 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1000 
_refine.aniso_B[2][2]                            0.1000 
_refine.aniso_B[3][3]                            -0.2000 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9700 
_refine.correlation_coeff_Fo_to_Fc_free          0.9670 
_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                       0.0530 
_refine.pdbx_overall_ESU_R_Free                  0.0530 
_refine.overall_SU_ML                            0.0470 
_refine.overall_SU_B                             1.2350 
_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                                102.300 
_refine.B_iso_min                                9.510 
_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                       1.3300 
_refine_hist.d_res_low                        67.3900 
_refine_hist.pdbx_number_atoms_ligand         34 
_refine_hist.number_atoms_solvent             140 
_refine_hist.number_atoms_total               1667 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           28.89 
_refine_hist.pdbx_B_iso_mean_solvent          29.92 
_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       2012 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1626 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2516 1.796  1.639  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3753 1.458  1.578  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.209  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 107  27.748 21.215 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  12.078 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   23.238 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         219  0.088  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2230 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     496  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            952  1.667  1.660  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.632  1.639  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.669  2.465  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3310 
_refine_ls_shell.d_res_low                        1.3650 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               96.3900 
_refine_ls_shell.number_reflns_R_work             3242 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3380 
_refine_ls_shell.R_factor_R_free                  0.3490 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             146 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3388 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNO 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z57450788' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNO 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 2 ? 
E N N 2 ? 
F N N 4 ? 
G 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              7HNO 
_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 7HNO MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNO HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNO HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNO HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNO HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNO HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNO HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNO MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G 
# 
_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       0.84 
# 
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                   7HNO 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            CD 
_pdbx_validate_rmsd_bond.auth_asym_id_1            B 
_pdbx_validate_rmsd_bond.auth_comp_id_1            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_1             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            OE1 
_pdbx_validate_rmsd_bond.auth_asym_id_2            B 
_pdbx_validate_rmsd_bond.auth_comp_id_2            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_2             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.181 
_pdbx_validate_rmsd_bond.bond_target_value         1.252 
_pdbx_validate_rmsd_bond.bond_deviation            -0.071 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.011 
_pdbx_validate_rmsd_bond.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  ? ? 72.23   36.99 
2 1 GLN B 78  ? ? 55.74   17.89 
3 1 ASP B 152 ? ? -100.92 46.69 
# 
_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     425 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   G 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
PHE N    N N N 260 
PHE CA   C N S 261 
PHE C    C N N 262 
PHE O    O N N 263 
PHE CB   C N N 264 
PHE CG   C Y N 265 
PHE CD1  C Y N 266 
PHE CD2  C Y N 267 
PHE CE1  C Y N 268 
PHE CE2  C Y N 269 
PHE CZ   C Y N 270 
PHE OXT  O N N 271 
PHE H    H N N 272 
PHE H2   H N N 273 
PHE HA   H N N 274 
PHE HB2  H N N 275 
PHE HB3  H N N 276 
PHE HD1  H N N 277 
PHE HD2  H N N 278 
PHE HE1  H N N 279 
PHE HE2  H N N 280 
PHE HZ   H N N 281 
PHE HXT  H N N 282 
PRO N    N N N 283 
PRO CA   C N S 284 
PRO C    C N N 285 
PRO O    O N N 286 
PRO CB   C N N 287 
PRO CG   C N N 288 
PRO CD   C N N 289 
PRO OXT  O N N 290 
PRO H    H N N 291 
PRO HA   H N N 292 
PRO HB2  H N N 293 
PRO HB3  H N N 294 
PRO HG2  H N N 295 
PRO HG3  H N N 296 
PRO HD2  H N N 297 
PRO HD3  H N N 298 
PRO HXT  H N N 299 
RV4 N1   N N N 300 
RV4 C4   C Y N 301 
RV4 C5   C Y N 302 
RV4 C6   C Y N 303 
RV4 C7   C Y N 304 
RV4 C8   C Y N 305 
RV4 C10  C N N 306 
RV4 C13  C N N 307 
RV4 C1   C N N 308 
RV4 C11  C N N 309 
RV4 C12  C N N 310 
RV4 C2   C N N 311 
RV4 C3   C Y N 312 
RV4 C9   C N N 313 
RV4 N2   N N N 314 
RV4 O1   O N N 315 
RV4 O2   O N N 316 
RV4 H1   H N N 317 
RV4 H2   H N N 318 
RV4 H3   H N N 319 
RV4 H4   H N N 320 
RV4 H5   H N N 321 
RV4 H6   H N N 322 
RV4 H7   H N N 323 
RV4 H8   H N N 324 
RV4 H9   H N N 325 
RV4 H10  H N N 326 
RV4 H11  H N N 327 
RV4 H12  H N N 328 
RV4 H13  H N N 329 
RV4 H14  H N N 330 
RV4 H15  H N N 331 
RV4 H16  H N N 332 
RV4 H17  H N N 333 
RV4 H18  H N N 334 
SER N    N N N 335 
SER CA   C N S 336 
SER C    C N N 337 
SER O    O N N 338 
SER CB   C N N 339 
SER OG   O N N 340 
SER OXT  O N N 341 
SER H    H N N 342 
SER H2   H N N 343 
SER HA   H N N 344 
SER HB2  H N N 345 
SER HB3  H N N 346 
SER HG   H N N 347 
SER HXT  H N N 348 
SO4 S    S N N 349 
SO4 O1   O N N 350 
SO4 O2   O N N 351 
SO4 O3   O N N 352 
SO4 O4   O N N 353 
THR N    N N N 354 
THR CA   C N S 355 
THR C    C N N 356 
THR O    O N N 357 
THR CB   C N R 358 
THR OG1  O N N 359 
THR CG2  C N N 360 
THR OXT  O N N 361 
THR H    H N N 362 
THR H2   H N N 363 
THR HA   H N N 364 
THR HB   H N N 365 
THR HG1  H N N 366 
THR HG21 H N N 367 
THR HG22 H N N 368 
THR HG23 H N N 369 
THR HXT  H N N 370 
TRP N    N N N 371 
TRP CA   C N S 372 
TRP C    C N N 373 
TRP O    O N N 374 
TRP CB   C N N 375 
TRP CG   C Y N 376 
TRP CD1  C Y N 377 
TRP CD2  C Y N 378 
TRP NE1  N Y N 379 
TRP CE2  C Y N 380 
TRP CE3  C Y N 381 
TRP CZ2  C Y N 382 
TRP CZ3  C Y N 383 
TRP CH2  C Y N 384 
TRP OXT  O N N 385 
TRP H    H N N 386 
TRP H2   H N N 387 
TRP HA   H N N 388 
TRP HB2  H N N 389 
TRP HB3  H N N 390 
TRP HD1  H N N 391 
TRP HE1  H N N 392 
TRP HE3  H N N 393 
TRP HZ2  H N N 394 
TRP HZ3  H N N 395 
TRP HH2  H N N 396 
TRP HXT  H N N 397 
TYR N    N N N 398 
TYR CA   C N S 399 
TYR C    C N N 400 
TYR O    O N N 401 
TYR CB   C N N 402 
TYR CG   C Y N 403 
TYR CD1  C Y N 404 
TYR CD2  C Y N 405 
TYR CE1  C Y N 406 
TYR CE2  C Y N 407 
TYR CZ   C Y N 408 
TYR OH   O N N 409 
TYR OXT  O N N 410 
TYR H    H N N 411 
TYR H2   H N N 412 
TYR HA   H N N 413 
TYR HB2  H N N 414 
TYR HB3  H N N 415 
TYR HD1  H N N 416 
TYR HD2  H N N 417 
TYR HE1  H N N 418 
TYR HE2  H N N 419 
TYR HH   H N N 420 
TYR HXT  H N N 421 
VAL N    N N N 422 
VAL CA   C N S 423 
VAL C    C N N 424 
VAL O    O N N 425 
VAL CB   C N N 426 
VAL CG1  C N N 427 
VAL CG2  C N N 428 
VAL OXT  O N N 429 
VAL H    H N N 430 
VAL H2   H N N 431 
VAL HA   H N N 432 
VAL HB   H N N 433 
VAL HG11 H N N 434 
VAL HG12 H N N 435 
VAL HG13 H N N 436 
VAL HG21 H N N 437 
VAL HG22 H N N 438 
VAL HG23 H N N 439 
VAL HXT  H N N 440 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
PHE N   CA   sing N N 246 
PHE N   H    sing N N 247 
PHE N   H2   sing N N 248 
PHE CA  C    sing N N 249 
PHE CA  CB   sing N N 250 
PHE CA  HA   sing N N 251 
PHE C   O    doub N N 252 
PHE C   OXT  sing N N 253 
PHE CB  CG   sing N N 254 
PHE CB  HB2  sing N N 255 
PHE CB  HB3  sing N N 256 
PHE CG  CD1  doub Y N 257 
PHE CG  CD2  sing Y N 258 
PHE CD1 CE1  sing Y N 259 
PHE CD1 HD1  sing N N 260 
PHE CD2 CE2  doub Y N 261 
PHE CD2 HD2  sing N N 262 
PHE CE1 CZ   doub Y N 263 
PHE CE1 HE1  sing N N 264 
PHE CE2 CZ   sing Y N 265 
PHE CE2 HE2  sing N N 266 
PHE CZ  HZ   sing N N 267 
PHE OXT HXT  sing N N 268 
PRO N   CA   sing N N 269 
PRO N   CD   sing N N 270 
PRO N   H    sing N N 271 
PRO CA  C    sing N N 272 
PRO CA  CB   sing N N 273 
PRO CA  HA   sing N N 274 
PRO C   O    doub N N 275 
PRO C   OXT  sing N N 276 
PRO CB  CG   sing N N 277 
PRO CB  HB2  sing N N 278 
PRO CB  HB3  sing N N 279 
PRO CG  CD   sing N N 280 
PRO CG  HG2  sing N N 281 
PRO CG  HG3  sing N N 282 
PRO CD  HD2  sing N N 283 
PRO CD  HD3  sing N N 284 
PRO OXT HXT  sing N N 285 
RV4 C12 O2   sing N N 286 
RV4 C12 C13  sing N N 287 
RV4 O2  C11  sing N N 288 
RV4 C13 N2   sing N N 289 
RV4 C11 C10  sing N N 290 
RV4 N2  C10  sing N N 291 
RV4 N2  C9   sing N N 292 
RV4 C9  C6   sing N N 293 
RV4 C5  C6   doub Y N 294 
RV4 C5  C4   sing Y N 295 
RV4 C6  C7   sing Y N 296 
RV4 C4  C3   doub Y N 297 
RV4 C7  C8   doub Y N 298 
RV4 C3  C8   sing Y N 299 
RV4 C3  N1   sing N N 300 
RV4 N1  C2   sing N N 301 
RV4 C2  O1   doub N N 302 
RV4 C2  C1   sing N N 303 
RV4 N1  H1   sing N N 304 
RV4 C4  H2   sing N N 305 
RV4 C5  H3   sing N N 306 
RV4 C7  H4   sing N N 307 
RV4 C8  H5   sing N N 308 
RV4 C10 H6   sing N N 309 
RV4 C10 H7   sing N N 310 
RV4 C13 H8   sing N N 311 
RV4 C13 H9   sing N N 312 
RV4 C1  H10  sing N N 313 
RV4 C1  H11  sing N N 314 
RV4 C1  H12  sing N N 315 
RV4 C11 H13  sing N N 316 
RV4 C11 H14  sing N N 317 
RV4 C12 H15  sing N N 318 
RV4 C12 H16  sing N N 319 
RV4 C9  H17  sing N N 320 
RV4 C9  H18  sing N N 321 
SER N   CA   sing N N 322 
SER N   H    sing N N 323 
SER N   H2   sing N N 324 
SER CA  C    sing N N 325 
SER CA  CB   sing N N 326 
SER CA  HA   sing N N 327 
SER C   O    doub N N 328 
SER C   OXT  sing N N 329 
SER CB  OG   sing N N 330 
SER CB  HB2  sing N N 331 
SER CB  HB3  sing N N 332 
SER OG  HG   sing N N 333 
SER OXT HXT  sing N N 334 
SO4 S   O1   doub N N 335 
SO4 S   O2   doub N N 336 
SO4 S   O3   sing N N 337 
SO4 S   O4   sing N N 338 
THR N   CA   sing N N 339 
THR N   H    sing N N 340 
THR N   H2   sing N N 341 
THR CA  C    sing N N 342 
THR CA  CB   sing N N 343 
THR CA  HA   sing N N 344 
THR C   O    doub N N 345 
THR C   OXT  sing N N 346 
THR CB  OG1  sing N N 347 
THR CB  CG2  sing N N 348 
THR CB  HB   sing N N 349 
THR OG1 HG1  sing N N 350 
THR CG2 HG21 sing N N 351 
THR CG2 HG22 sing N N 352 
THR CG2 HG23 sing N N 353 
THR OXT HXT  sing N N 354 
TRP N   CA   sing N N 355 
TRP N   H    sing N N 356 
TRP N   H2   sing N N 357 
TRP CA  C    sing N N 358 
TRP CA  CB   sing N N 359 
TRP CA  HA   sing N N 360 
TRP C   O    doub N N 361 
TRP C   OXT  sing N N 362 
TRP CB  CG   sing N N 363 
TRP CB  HB2  sing N N 364 
TRP CB  HB3  sing N N 365 
TRP CG  CD1  doub Y N 366 
TRP CG  CD2  sing Y N 367 
TRP CD1 NE1  sing Y N 368 
TRP CD1 HD1  sing N N 369 
TRP CD2 CE2  doub Y N 370 
TRP CD2 CE3  sing Y N 371 
TRP NE1 CE2  sing Y N 372 
TRP NE1 HE1  sing N N 373 
TRP CE2 CZ2  sing Y N 374 
TRP CE3 CZ3  doub Y N 375 
TRP CE3 HE3  sing N N 376 
TRP CZ2 CH2  doub Y N 377 
TRP CZ2 HZ2  sing N N 378 
TRP CZ3 CH2  sing Y N 379 
TRP CZ3 HZ3  sing N N 380 
TRP CH2 HH2  sing N N 381 
TRP OXT HXT  sing N N 382 
TYR N   CA   sing N N 383 
TYR N   H    sing N N 384 
TYR N   H2   sing N N 385 
TYR CA  C    sing N N 386 
TYR CA  CB   sing N N 387 
TYR CA  HA   sing N N 388 
TYR C   O    doub N N 389 
TYR C   OXT  sing N N 390 
TYR CB  CG   sing N N 391 
TYR CB  HB2  sing N N 392 
TYR CB  HB3  sing N N 393 
TYR CG  CD1  doub Y N 394 
TYR CG  CD2  sing Y N 395 
TYR CD1 CE1  sing Y N 396 
TYR CD1 HD1  sing N N 397 
TYR CD2 CE2  doub Y N 398 
TYR CD2 HD2  sing N N 399 
TYR CE1 CZ   doub Y N 400 
TYR CE1 HE1  sing N N 401 
TYR CE2 CZ   sing Y N 402 
TYR CE2 HE2  sing N N 403 
TYR CZ  OH   sing N N 404 
TYR OH  HH   sing N N 405 
TYR OXT HXT  sing N N 406 
VAL N   CA   sing N N 407 
VAL N   H    sing N N 408 
VAL N   H2   sing N N 409 
VAL CA  C    sing N N 410 
VAL CA  CB   sing N N 411 
VAL CA  HA   sing N N 412 
VAL C   O    doub N N 413 
VAL C   OXT  sing N N 414 
VAL CB  CG1  sing N N 415 
VAL CB  CG2  sing N N 416 
VAL CB  HB   sing N N 417 
VAL CG1 HG11 sing N N 418 
VAL CG1 HG12 sing N N 419 
VAL CG1 HG13 sing N N 420 
VAL CG2 HG21 sing N N 421 
VAL CG2 HG22 sing N N 422 
VAL CG2 HG23 sing N N 423 
VAL OXT HXT  sing N N 424 
# 
_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                    7HNO 
_atom_sites.fract_transf_matrix[1][1]   0.010492 
_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]   0.010492 
_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]   0.021900 
_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   ? -13.127 -13.357 -9.941  1.00 85.12  ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.801 -13.681 -11.364 1.00 80.44  ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.754 -12.690 -11.891 1.00 83.26  ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.783 -11.507 -11.475 1.00 91.04  ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -14.087 -13.719 -12.215 1.00 71.46  ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.551 -12.395 -12.736 1.00 61.79  ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -14.054 -11.847 -13.900 1.00 62.54  ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.476 -11.522 -12.282 1.00 57.97  ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.628 -10.682 -14.122 1.00 60.26  ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.511 -10.459 -13.150 1.00 51.28  ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.874 -13.160 -12.780 1.00 81.72  ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.802  -12.365 -13.439 1.00 82.33  ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -9.961  -12.480 -14.966 1.00 73.52  ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -8.940  -12.696 -15.652 1.00 70.75  ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.436  -12.811 -12.883 1.00 90.13  ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.362  -12.794 -11.386 1.00 98.60  ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.273  -11.617 -10.653 1.00 97.45  ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.375  -13.797 -10.477 1.00 102.30 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -8.230  -11.898 -9.365  1.00 96.45  ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.288  -13.230 -9.230  1.00 101.49 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.202 -12.317 -15.460 1.00 63.13  ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.655 -12.538 -16.869 1.00 51.15  ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.658 -11.229 -17.665 1.00 48.42  ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.744 -11.298 -18.917 1.00 39.34  ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.065 -13.142 -16.895 1.00 45.48  ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.154 -14.506 -16.303 1.00 44.12  ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.196 -15.486 -16.538 1.00 42.23  ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.102 -15.081 -15.534 1.00 39.38  ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.542 -16.596 -15.920 1.00 46.94  ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.716 -16.376 -15.308 1.00 46.55  ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.560 -10.090 -16.965 1.00 49.96  ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.567 -8.706  -17.514 1.00 54.93  ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.677 -8.595  -18.766 1.00 53.30  ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.112 -7.920  -19.731 1.00 56.95  ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.160 -7.697  -16.425 1.00 63.29  ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -11.909 -7.856  -15.143 1.00 74.98  ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.327 -8.408  -14.010 1.00 86.11  ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.188 -7.564  -14.811 1.00 79.11  ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.215 -8.437  -13.032 1.00 87.66  ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.367 -7.926  -13.499 1.00 83.41  ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.505  -9.250  -18.784 1.00 49.98  ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.499  -9.151  -19.881 1.00 49.51  ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -8.964  -9.836  -21.183 1.00 43.63  ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.298  -9.598  -22.205 1.00 44.11  ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.119  -9.658  -19.424 1.00 60.68  ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.068  -11.106 -19.071 1.00 65.55  ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.447  -12.044 -19.881 1.00 71.41  ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.539  -11.777 -17.999 1.00 68.04  ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.547  -13.235 -19.325 1.00 68.92  ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.216  -13.098 -18.169 1.00 75.74  ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.043 -10.639 -21.192 1.00 32.49  ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.664 -11.165 -22.450 1.00 26.63  ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.780 -10.242 -22.917 1.00 24.70  ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.641 -10.711 -23.671 1.00 19.71  ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.230 -12.561 -22.247 1.00 25.96  ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.170 -13.504 -21.806 1.00 27.67  ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.143  -13.846 -22.660 1.00 25.72  ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -9.958  -14.122 -20.626 1.00 27.06  ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.326  -14.670 -22.014 1.00 25.67  ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.789  -14.855 -20.761 1.00 28.70  ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.779 -8.999  -22.450 1.00 24.18  ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.850 -8.003  -22.732 1.00 26.27  ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -12.984 -7.820  -24.251 1.00 25.98  ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -11.964 -7.714  -24.993 1.00 28.89  ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.503 -6.675  -22.040 1.00 33.40  ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.508 -5.536  -22.243 1.00 44.25  ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.122 -5.731  -21.385 1.00 54.52  ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.767 -5.035  -19.772 1.00 46.71  ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.209 -7.811  -24.760 1.00 20.81  ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.484 -7.582  -26.200 1.00 20.93  ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.470 -6.405  -26.277 1.00 22.89  ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.303 -6.236  -25.373 1.00 21.26  ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.003 -8.839  -26.926 1.00 24.03  ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -13.932 -9.917  -27.012 1.00 26.50  ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.229 -9.425  -26.259 1.00 24.99  ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.409 -5.649  -27.376 1.00 22.77  ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.282 -4.472  -27.583 1.00 22.65  ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.531 -4.956  -28.341 1.00 21.43  ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.440 -5.387  -29.505 1.00 25.25  ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.513 -3.374  -28.316 1.00 23.47  ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.283 -2.101  -28.461 1.00 27.15  ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.401 -1.189  -27.441 1.00 31.71  ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.009 -1.617  -29.496 1.00 30.60  ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.144 -0.167  -27.850 1.00 29.32  ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.529 -0.404  -29.113 1.00 34.52  ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.639 -5.068  -27.630 1.00 17.33  ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.894 -5.575  -28.226 1.00 17.69  ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.711 -4.380  -28.747 1.00 17.74  ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.739 -3.370  -28.095 1.00 17.83  ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.695 -6.386  -27.188 1.00 17.43  ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.891 -7.593  -26.685 1.00 18.45  ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.040 -6.801  -27.774 1.00 17.52  ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.326 -8.529  -27.760 1.00 17.39  ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.289 -4.540  -29.919 1.00 16.20  ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.288 -3.566  -30.439 1.00 16.47  ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.541 -4.325  -30.803 1.00 17.21  ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.479 -5.563  -31.084 1.00 17.81  ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.723 -2.792  -31.623 1.00 18.71  ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.396 -3.708  -32.643 1.00 20.35  ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.536 -1.936  -31.240 1.00 22.40  ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.673 -3.622  -30.791 1.00 15.54  ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -25.958 -4.290  -31.110 1.00 16.24  ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.238 -4.288  -32.610 1.00 16.12  ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -25.911 -3.281  -33.302 1.00 17.40  ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.050 -3.569  -30.331 1.00 15.80  ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.874 -3.597  -28.825 1.00 16.75  ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.870 -2.687  -28.139 1.00 18.69  ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -26.984 -5.036  -28.285 1.00 17.87  ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.863 -5.327  -33.096 1.00 15.54  ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.208 -5.520  -34.521 1.00 15.76  ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.690 -5.118  -34.703 1.00 16.69  ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.591 -5.913  -34.404 1.00 14.59  ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -26.923 -6.945  -34.992 1.00 16.01  ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.184 -7.213  -36.461 1.00 21.06  ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.849 -6.367  -37.109 1.00 19.89  ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -26.821 -8.316  -36.934 1.00 21.24  ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -28.905 -3.896  -35.206 0.25 16.94  ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -28.917 -3.900  -35.205 0.25 18.16  ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.243 -3.297  -35.458 0.25 17.63  ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.272 -3.324  -35.422 0.25 19.69  ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.145 -4.249  -36.270 0.25 17.90  ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.161 -4.267  -36.261 0.25 19.15  ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.432 -4.199  -36.079 0.25 19.95  ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.452 -4.210  -36.097 0.25 21.10  ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.111 -1.989  -36.250 0.25 17.97  ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.188 -1.982  -36.155 0.25 21.95  ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.295 -0.902  -35.565 0.25 19.21  ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.853 -0.798  -35.263 0.25 25.11  ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.107 0.333   -36.448 0.25 18.94  ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.361 -0.504  -35.215 0.25 27.92  ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.644 1.423   -35.616 0.25 18.60  ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -27.790 0.323   -36.289 0.25 30.55  ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.411 1.972   -34.702 0.25 17.88  ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.721 -0.006  -37.579 0.25 31.27  ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.665 1.572   -34.603 0.25 18.95  ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -28.246 -1.132  -38.022 0.25 35.00  ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.950 2.926   -33.923 0.25 18.11  ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.153 0.819   -38.436 0.25 33.86  ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.542 -5.012  -37.209 1.00 16.77  ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.345 -5.857  -38.114 1.00 19.16  ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.038 -6.998  -37.368 1.00 16.20  ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.062 -7.499  -37.848 1.00 16.33  ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.509 -6.384  -39.268 1.00 21.48  ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.228 -5.291  -40.268 1.00 28.03  ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -30.974 -4.322  -40.363 1.00 32.33  ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.184 -5.487  -41.040 1.00 37.09  ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.494 -7.407  -36.196 1.00 14.55  ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.047 -8.506  -35.406 1.00 13.91  ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.082 -8.025  -34.386 1.00 13.26  ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.750 -8.867  -33.787 1.00 13.31  ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -30.962 -9.272  -34.640 1.00 13.64  ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.386 -8.435  -33.628 1.00 14.45  ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -29.943 -9.841  -35.615 1.00 16.22  ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.160 -6.731  -34.167 1.00 13.40  ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -33.964 -6.174  -33.063 1.00 13.62  ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.451 -6.344  -33.351 1.00 14.64  ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -35.943 -6.064  -34.479 1.00 15.00  ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.639 -4.725  -32.891 1.00 14.23  ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.218 -6.665  -32.345 1.00 13.38  ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.677 -6.461  -32.368 1.00 13.33  ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -37.973 -5.025  -32.774 1.00 11.90  ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.243 -4.084  -32.431 1.00 12.55  ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.221 -6.816  -30.993 1.00 13.43  ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.696 -6.570  -30.869 1.00 16.29  ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.128 -5.458  -30.619 1.00 15.72  ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.456 -7.601  -31.096 1.00 19.26  ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.038 -4.858  -33.540 1.00 13.03  ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.370 -3.586  -34.213 1.00 13.80  ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.778 -2.503  -33.212 1.00 13.36  ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -39.877 -1.341  -33.668 1.00 14.54  ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.452 -3.807  -35.234 1.00 16.23  ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.615 -4.257  -34.549 1.00 18.71  ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -39.994 -2.791  -31.934 1.00 12.56  ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.306 -1.778  -30.910 1.00 12.81  ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.054 -1.263  -30.199 1.00 12.91  ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.150 -0.369  -29.370 1.00 14.33  ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.292 -2.326  -29.910 1.00 13.69  ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.686 -2.431  -30.451 1.00 14.40  ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.074 -2.945  -31.658 1.00 15.22  ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.872 -1.976  -29.806 1.00 15.78  ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.448 -2.861  -31.790 1.00 17.82  ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -44.946 -2.308  -30.656 1.00 16.23  ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.110 -1.374  -28.571 1.00 17.29  ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.271 -2.009  -30.298 1.00 20.20  ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.422 -1.099  -28.219 1.00 19.97  ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.473 -1.455  -29.059 1.00 20.69  ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.882 -1.843  -30.499 1.00 12.63  ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.656 -1.440  -29.761 1.00 13.20  ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.044 -0.168  -30.361 1.00 13.46  ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.070 0.024   -31.608 1.00 14.03  ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.618 -2.568  -29.773 1.00 12.39  ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.049 -3.837  -29.058 1.00 13.28  ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -34.909 -4.850  -29.039 1.00 13.61  ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.479 -3.565  -27.646 1.00 14.34  ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.440 0.604   -29.482 1.00 13.22  ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.685 1.840   -29.843 1.00 13.70  ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.239 1.623   -29.400 1.00 14.42  ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -32.996 1.470   -28.190 1.00 14.42  ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.269 3.085   -29.216 1.00 15.16  ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.751 3.318   -29.583 1.00 14.95  ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.419 4.314   -29.590 1.00 16.40  ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.419 4.362   -28.772 1.00 18.11  ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.351 1.615   -30.381 1.00 16.52  ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.898 1.368   -30.206 1.00 16.95  ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.201 2.705   -30.394 1.00 18.23  ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.490 3.454   -31.356 1.00 18.87  ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.390 0.272   -31.134 1.00 16.38  ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -30.973 -1.080  -30.721 1.00 19.02  ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.853 0.216   -31.086 1.00 17.80  ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.839 -2.077  -31.713 1.00 20.50  ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.308 3.039   -29.494 1.00 16.56  ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.605 4.329   -29.502 1.00 16.92  ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.693 4.419   -30.732 1.00 16.74  ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.323 3.420   -31.335 1.00 16.44  ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.853 4.482   -28.216 1.00 18.26  ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.891 3.438   -28.117 1.00 18.37  ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.251 5.659   -31.050 1.00 19.32  ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.341 5.904   -32.195 1.00 19.64  ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.075 5.045   -32.095 1.00 18.61  ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.620 4.595   -33.142 1.00 20.48  ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.001 7.402   -32.196 1.00 22.55  ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -24.980 7.817   -33.220 1.00 26.94  ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.197 9.264   -33.592 1.00 27.65  ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -24.754 10.188  -32.478 1.00 34.73  ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.554 11.422  -32.465 1.00 41.23  ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.490 4.935   -30.897 1.00 19.76  ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.225 4.170   -30.718 1.00 18.89  ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.493 2.648   -30.711 1.00 18.86  ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.521 1.877   -30.620 1.00 18.14  ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.468 4.626   -29.472 1.00 20.03  ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.171 4.376   -28.157 1.00 20.93  ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.275 3.729   -28.163 1.00 20.13  ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.561 4.769   -27.118 1.00 23.97  ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.741 2.202   -30.817 1.00 16.58  ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.122 0.760   -30.856 1.00 16.45  ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.684 0.093   -29.532 1.00 14.97  ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.503 -1.145  -29.536 1.00 15.17  ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.602 0.070   -32.124 1.00 19.74  ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.204 0.675   -33.393 1.00 23.57  ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.886 0.000   -34.690 1.00 30.91  ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.476 -0.229  -34.905 1.00 40.79  ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.822 -1.410  -34.826 1.00 53.28  ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.437 -2.557  -34.527 1.00 46.71  ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.517 -1.431  -35.073 1.00 60.52  ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.626 0.833   -28.433 1.00 14.06  ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.276 0.251   -27.108 1.00 15.67  ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.423 0.251   -26.114 1.00 15.43  ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.231 -0.278  -24.994 1.00 16.12  ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.075 0.994   -26.521 1.00 16.86  ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.889 0.892   -27.462 1.00 21.06  ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -20.947 -0.236  -27.191 1.00 22.23  ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.203 0.002   -25.961 1.00 22.73  ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.476 -0.942  -25.366 1.00 22.09  ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.397 -2.128  -25.915 1.00 22.37  ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.852 -0.689  -24.236 1.00 23.57  ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.561 0.889   -26.417 1.00 13.81  ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.713 0.962   -25.498 1.00 14.49  ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -28.976 0.586   -26.267 1.00 13.95  ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.097 0.851   -27.484 1.00 15.29  ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.902 2.361   -24.909 1.00 16.44  ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.645 2.972   -24.317 1.00 20.83  ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.005 4.184   -23.490 1.00 25.45  ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.158 4.389   -23.089 1.00 30.44  ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.007 4.987   -23.207 1.00 31.38  ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.900 -0.062  -25.580 1.00 13.12  ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.199 -0.454  -26.178 1.00 12.65  ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.283 -0.314  -25.115 1.00 12.81  ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.085 -0.688  -23.952 1.00 12.54  ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.132 -1.856  -26.785 1.00 12.89  ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.715 -2.935  -25.757 1.00 12.96  ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.445 -2.230  -27.451 1.00 13.53  ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.439 0.193   -25.520 1.00 13.10  ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.628 0.260   -24.640 1.00 13.64  ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.893 -0.050  -25.458 1.00 13.32  ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.887 0.017   -26.716 1.00 12.60  ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.756 1.618   -23.950 1.00 14.74  ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.080 2.759   -24.901 1.00 17.29  ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.991 4.064   -24.109 1.00 19.39  ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.222 5.185   -25.007 1.00 23.67  ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.396 5.682   -25.332 1.00 22.66  ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.514 5.146   -24.883 1.00 25.10  ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.432 6.731   -26.165 1.00 27.19  ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.952 -0.372  -24.717 0.25 13.50  ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -36.971 -0.444  -24.780 0.25 14.11  ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.317 -0.610  -25.250 0.25 14.87  ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.243 -0.738  -25.496 0.25 15.55  ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.930 0.746   -25.631 0.25 14.81  ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.052 0.554   -25.622 0.25 15.20  ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.916 1.671   -24.818 0.25 15.63  ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.381 1.167   -24.566 0.25 14.25  ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.159 -1.333  -24.192 0.25 15.13  ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.101 -1.804  -24.812 0.25 16.75  ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.532 -1.780  -24.677 0.25 16.22  ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.415 -2.048  -25.576 0.25 19.23  ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.412 -2.832  -26.168 0.25 17.38  ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.236 -3.546  -25.011 0.25 21.86  ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -41.919 -3.793  -26.108 0.25 16.88  ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.482 -3.686  -26.292 0.25 21.53  ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.350 0.896   -26.878 1.00 14.59  ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.155 2.068   -27.263 1.00 16.55  ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.606 1.883   -26.899 1.00 16.58  ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.038 0.769   -26.514 1.00 17.66  ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.355 2.994   -26.963 1.00 20.27  ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.791 2.924   -26.548 1.00 24.28  ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.638 2.528   -27.776 1.00 24.74  ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.887 2.336   -27.620 1.00 24.68  ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.252 4.185   -25.785 1.00 31.09  ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.811 4.267   -24.305 1.00 39.44  ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.527 3.210   -23.679 1.00 42.49  ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.784 5.391   -23.741 1.00 41.69  ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.010 2.257   -28.914 1.00 19.56  ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.734 1.928   -30.188 1.00 18.94  ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.779 1.227   -31.169 1.00 16.97  ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.512 1.223   -30.960 1.00 14.63  ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.314 3.234   -30.744 1.00 20.54  ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.190 2.943   -31.806 1.00 22.49  ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.243 4.137   -31.310 1.00 22.99  ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.273 0.749   -32.301 1.00 16.83  ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.439 0.295   -33.446 1.00 16.38  ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.510 1.413   -33.892 1.00 16.99  ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -42.986 2.558   -34.075 1.00 17.27  ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.373 -0.194  -34.549 1.00 15.34  ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.760 -0.840  -35.739 1.00 15.06  ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -42.982 -0.164  -36.660 1.00 14.40  ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.868 -2.106  -36.183 1.00 14.70  ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.646 -1.004  -37.617 1.00 15.06  ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.170 -2.222  -37.337 1.00 15.09  ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.232 1.104   -34.124 1.00 14.91  ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.216 2.138   -34.399 1.00 15.81  ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.029 2.376   -35.905 1.00 16.46  ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.016 3.012   -36.303 1.00 17.40  ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.893 1.769   -33.706 1.00 14.82  ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.062 1.819   -32.221 1.00 14.88  ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.552 3.139   -31.714 1.00 15.10  ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.480 3.256   -30.922 1.00 19.40  ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.931 4.209   -32.180 1.00 14.83  ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -40.971 1.978   -36.738 1.00 15.59  ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.068 2.481   -38.143 1.00 15.12  ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -39.965 1.911   -39.021 1.00 16.74  ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.475 2.580   -39.959 1.00 19.24  ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.153 4.018   -38.260 1.00 15.80  ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.760 4.452   -39.583 1.00 15.76  ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.607 3.765   -40.152 1.00 15.10  ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.324 5.603   -40.092 1.00 14.72  ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.624 0.647   -38.780 1.00 17.34  ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.643 -0.118  -39.589 1.00 19.14  ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.374 -1.202  -40.376 1.00 17.39  ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.415 -1.688  -39.924 1.00 17.78  ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.553 -0.745  -38.702 1.00 20.53  ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.694 0.342   -38.081 1.00 24.43  ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.090 -1.639  -37.605 1.00 20.45  ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.793 -1.647  -41.488 1.00 19.72  ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.331 -2.788  -42.245 1.00 19.61  ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.125 -4.096  -41.484 1.00 19.09  ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.190 -4.206  -40.673 1.00 17.95  ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.691 -2.864  -43.627 1.00 22.43  ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.288 -2.989  -43.494 1.00 23.95  ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -39.968 -5.080  -41.727 1.00 19.67  ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.780 -6.423  -41.153 1.00 18.45  ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.715 -7.163  -41.956 1.00 20.30  ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.476 -6.827  -43.103 1.00 19.92  ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.082 -7.182  -41.131 1.00 20.94  ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.005 -8.430  -40.292 1.00 26.58  ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.272 -8.429  -39.221 1.00 18.57  ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -41.513 -9.447  -40.822 1.00 35.74  ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.094 -8.175  -41.360 1.00 18.01  ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.075 -9.029  -42.018 1.00 19.40  ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.035 -10.355 -41.253 1.00 18.61  ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.651 -10.456 -40.144 1.00 18.48  ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.730 -8.350  -42.159 1.00 19.12  ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.026 -8.192  -40.829 1.00 19.07  ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -34.884 -9.168  -40.094 1.00 20.62  ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.618 -7.012  -40.517 1.00 18.15  ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.399 -11.357 -41.826 1.00 19.23  ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.448 -12.721 -41.255 1.00 21.16  ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.555 -12.809 -39.989 1.00 17.92  ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.739 -13.792 -39.222 1.00 18.87  ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -35.962 -13.743 -42.296 1.00 25.30  ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.516 -13.550 -42.709 1.00 33.37  ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.069 -14.388 -43.910 1.00 42.82  ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.561 -14.446 -44.020 1.00 47.76  ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.141 -15.198 -45.229 1.00 54.75  ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.686 -11.839 -39.749 1.00 17.01  ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.777 -11.856 -38.557 1.00 18.68  ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.519 -11.368 -37.311 1.00 16.71  ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.093 -11.732 -36.183 1.00 18.04  ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.533 -11.016 -38.771 1.00 20.59  ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.662 -11.442 -39.965 1.00 25.65  ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.515 -10.455 -40.129 1.00 31.22  ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.571 -9.606  -41.074 1.00 34.36  ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.596 -10.456 -39.275 1.00 30.95  ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.547 -10.514 -37.419 1.00 15.64  ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.046 -9.803  -36.228 1.00 15.51  ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.744 -10.752 -35.281 1.00 14.07  ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.617 -11.561 -35.691 1.00 15.99  ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.058 -8.708  -36.640 1.00 13.71  ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.439 -7.554  -37.396 1.00 15.44  ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.425 -6.347  -37.388 1.00 15.01  ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -36.915 -5.313  -38.259 1.00 15.99  ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.835 -4.592  -38.031 1.00 14.80  ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.185 -4.638  -36.869 1.00 15.00  ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.363 -3.770  -38.962 1.00 18.38  ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.468 -10.673 -33.967 1.00 13.83  ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.294 -11.388 -32.991 1.00 12.70  ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.718 -10.771 -32.994 1.00 14.95  ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.852 -9.565  -32.741 1.00 15.39  ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.697 -11.304 -31.582 1.00 12.51  ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.450 -12.164 -31.443 1.00 11.24  ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.565 -13.508 -31.199 1.00 11.41  ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.190 -11.605 -31.534 1.00 12.90  ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.436 -14.310 -31.080 1.00 11.89  ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.063 -12.420 -31.397 1.00 13.94  ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.215 -13.775 -31.182 1.00 12.00  ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.742 -11.559 -33.267 1.00 14.98  ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.113 -11.012 -33.476 1.00 17.13  ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -41.895 -10.902 -32.181 1.00 16.42  ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.667 -9.907  -32.082 1.00 17.87  ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.838 -11.862 -34.497 1.00 17.30  ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.045 -13.193 -34.055 1.00 17.13  ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.760 -11.814 -31.239 1.00 15.63  ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.708 -11.986 -30.106 1.00 15.63  ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.218 -11.304 -28.833 1.00 15.31  ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.020 -11.109 -27.911 1.00 17.06  ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.041 -13.440 -29.821 1.00 17.27  ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -43.983 -14.047 -30.857 1.00 20.80  ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.802 -13.886 -32.067 1.00 21.24  ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.985 -14.757 -30.367 1.00 25.20  ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -40.917 -10.991 -28.745 1.00 13.17  ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.311 -10.525 -27.480 1.00 12.11  ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.335 -9.390  -27.799 1.00 12.53  ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.779 -9.304  -28.900 1.00 12.86  ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.505 -11.666 -26.850 1.00 12.24  ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.244 -12.987 -26.766 1.00 13.37  ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.277 -13.186 -25.866 1.00 14.64  ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.912 -14.069 -27.591 1.00 14.55  ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.968 -14.404 -25.798 1.00 15.76  ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.625 -15.265 -27.580 1.00 14.96  ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.623 -15.446 -26.641 1.00 16.46  ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.266 -16.659 -26.526 1.00 16.91  ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.022 -8.543  -26.806 1.00 11.72  ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.171 -7.366  -27.011 1.00 12.27  ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.659 -7.688  -26.989 1.00 11.93  ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.920 -7.172  -26.164 1.00 12.67  ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.542 -6.403  -25.840 1.00 14.03  ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.713 -7.050  -25.187 1.00 14.42  ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.671 -8.497  -25.501 1.00 12.81  ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.255 -8.553  -27.921 1.00 12.22  ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -34.904 -9.152  -27.982 1.00 10.93  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.084 -8.551  -29.114 1.00 11.94  ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.612 -8.077  -30.146 1.00 11.81  ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.043 -10.653 -28.209 1.00 11.86  ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.602 -11.367 -27.027 1.00 11.68  ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.085 -13.056 -27.461 1.00 12.67  ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.707 -13.713 -25.920 1.00 12.93  ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.760 -8.609  -28.943 1.00 11.69  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.818 -8.164  -29.984 1.00 10.93  ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.507 -8.929  -29.764 1.00 11.64  ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.227 -9.330  -28.608 1.00 12.03  ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.601 -6.634  -29.944 1.00 11.78  ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.068 -6.160  -28.618 1.00 12.21  ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.720 -6.100  -31.076 1.00 12.75  ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.742 -9.137  -30.827 1.00 12.18  ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.406 -9.797  -30.730 1.00 11.87  ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.288 -8.782  -30.844 1.00 12.66  ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.402 -7.725  -31.565 1.00 13.65  ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.249 -10.814 -31.869 1.00 12.53  ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.309 -11.897 -31.920 1.00 12.87  ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.014 -12.994 -32.923 1.00 15.95  ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.502 -12.529 -30.548 1.00 12.78  ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.121 -9.126  -30.297 1.00 12.75  ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.890 -8.408  -30.688 1.00 13.08  ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.499 -8.732  -32.134 1.00 12.75  ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.821 -9.814  -32.611 1.00 14.24  ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.744 -7.848  -32.737 1.00 14.83  ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.267 -8.012  -34.131 1.00 16.51  ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.132 -9.038  -34.175 1.00 17.87  ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -21.976 -9.712  -35.213 1.00 21.25  ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.826 -6.652  -34.590 1.00 18.08  ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.421 -9.193  -33.058 1.00 16.47  ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.210 -10.050 -33.053 1.00 16.82  ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.662 -11.514 -33.050 1.00 18.46  ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.690 -11.857 -32.426 1.00 18.14  ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.321 -9.685  -31.855 1.00 18.71  ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.648 -8.325  -31.954 1.00 20.36  ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.616 -7.174  -31.788 1.00 20.46  ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.545 -7.265  -31.003 1.00 19.07  ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.418 -6.086  -32.493 1.00 22.64  ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.903 -12.368 -33.736 1.00 18.88  ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.076 -13.832 -33.759 1.00 18.94  ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.802 -14.485 -33.225 1.00 17.78  ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.698 -14.024 -33.579 1.00 19.66  ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.246 -14.389 -35.184 1.00 24.42  ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.618 -14.262 -35.832 1.00 33.59  ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.184 -12.857 -35.917 1.00 38.18  ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.080 -12.483 -37.028 1.00 44.83  ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.661 -13.275 -37.941 1.00 41.91  ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.451 -12.732 -38.852 1.00 48.88  ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.501 -14.582 -37.957 1.00 48.86  ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.948 -15.426 -32.308 1.00 16.15  ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.774 -16.074 -31.657 1.00 16.19  ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.835 -17.580 -31.915 1.00 14.83  ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.849 -18.225 -31.646 1.00 14.04  ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.826 -15.773 -30.146 1.00 17.81  ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.801 -14.294 -29.811 1.00 18.86  ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.752 -13.500 -30.263 1.00 21.34  ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.781 -13.699 -29.057 1.00 26.31  ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.670 -12.144 -29.968 1.00 24.03  ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.702 -12.340 -28.754 1.00 21.04  ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.674 -11.571 -29.235 1.00 22.48  ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.734 -18.157 -32.422 0.25 14.69  ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.736 -18.173 -32.413 0.25 16.08  ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.649 -19.611 -32.717 0.25 14.61  ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.630 -19.639 -32.654 0.25 16.94  ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.433 -20.247 -32.024 0.25 14.69  ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.343 -20.199 -32.052 0.25 17.15  ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.296 -21.483 -32.107 0.25 14.50  ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.933 -21.300 -32.448 0.25 16.51  ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.689 -19.858 -34.210 0.25 14.69  ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.655 -19.946 -34.106 0.25 17.73  ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.025 -19.657 -34.711 0.25 14.09  ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.616 -19.239 -34.734 0.25 18.94  ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.641 -19.457 -31.287 0.25 14.58  ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.705 -19.460 -31.154 0.25 17.63  ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.458 -19.951 -30.542 0.25 15.23  ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.432 -19.900 -30.553 0.25 18.63  ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.077 -18.968 -29.433 0.25 16.58  ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.003 -18.918 -29.471 0.25 18.56  ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.601 -17.839 -29.453 0.25 16.49  ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.413 -17.738 -29.555 0.25 17.97  ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.309 -20.145 -31.498 0.25 15.31  ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.389 -20.020 -31.633 0.25 20.12  ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.776 -18.886 -31.873 0.25 14.32  ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.156 -20.420 -31.073 0.25 22.97  ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.188 -19.388 -28.527 1.00 17.72  ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.524 -18.488 -27.567 1.00 19.78  ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.393 -18.110 -26.376 1.00 16.40  ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.434 -18.757 -26.118 1.00 17.83  ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.893 -17.122 -25.654 1.00 16.04  ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.498 -16.630 -24.412 1.00 17.21  ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.919 -15.189 -24.682 1.00 16.45  ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.121 -14.368 -25.214 1.00 18.41  ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.493 -16.772 -23.271 1.00 19.08  ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.103 -18.202 -22.905 1.00 19.10  ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.949  -18.262 -21.865 1.00 23.74  ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.576  -19.669 -21.487 1.00 26.96  ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.550  -19.636 -20.420 1.00 30.08  ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.113 -14.815 -24.224 1.00 15.56  ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.739 -13.487 -24.454 1.00 15.91  ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.408 -13.028 -23.152 1.00 14.68  ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -15.974 -13.865 -22.455 1.00 15.68  ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.856 -13.595 -25.483 1.00 17.04  ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.440 -13.730 -26.912 1.00 17.64  ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.681 -15.328 -27.431 1.00 19.30  ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.862 -16.549 -26.934 1.00 19.11  ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.369 -11.746 -22.860 1.00 15.22  ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -15.953 -11.177 -21.635 1.00 15.30  ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.539 -9.821  -21.995 1.00 15.92  ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.903 -8.992  -22.704 1.00 16.59  ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.903 -11.033 -20.539 1.00 16.37  ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.416 -10.416 -19.261 1.00 15.74  ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.112 -11.187 -18.358 1.00 15.32  ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.239 -9.066  -18.979 1.00 16.79  ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.658 -10.650 -17.194 1.00 16.57  ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.759 -8.524  -17.806 1.00 14.97  ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.493 -9.292  -16.938 1.00 15.73  ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -16.938 -8.741  -15.775 1.00 18.40  ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.744 -9.555  -21.512 1.00 13.39  ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.345 -8.203  -21.612 1.00 13.63  ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.204 -7.917  -20.366 1.00 14.07  ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.594 -8.872  -19.643 1.00 14.33  ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.090 -7.995  -22.954 1.00 13.65  ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.265 -8.884  -23.196 1.00 12.72  ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.602 -8.600  -22.983 1.00 12.81  ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.265 -10.183 -23.786 1.00 13.77  ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.391 -9.653  -23.386 1.00 12.45  ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.590 -10.661 -23.829 1.00 13.97  ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.242 -11.047 -24.181 1.00 16.30  ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -21.925 -11.908 -24.339 1.00 14.90  ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.571 -12.264 -24.721 1.00 17.60  ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.887 -12.709 -24.768 1.00 15.87  ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.630 -6.657  -20.205 1.00 13.85  ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.449 -6.223  -19.039 1.00 12.69  ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.662 -5.435  -19.504 1.00 13.39  ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.570 -4.741  -20.514 1.00 13.40  ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.650 -5.394  -18.029 1.00 14.06  ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.617 -6.268  -17.317 1.00 16.86  ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.724 -5.519  -16.345 1.00 20.92  ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -17.894 -4.261  -16.237 1.00 23.99  ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.873 -6.197  -15.648 1.00 19.30  ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.765 -5.659  -18.818 1.00 13.01  ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.044 -5.006  -19.159 1.00 12.72  ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.618 -4.326  -17.913 1.00 13.15  ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.709 -4.970  -16.842 1.00 13.23  ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.063 -6.012  -19.718 1.00 12.46  ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.301 -5.265  -20.190 1.00 13.57  ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.443 -6.867  -20.810 1.00 13.95  ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.079 -3.075  -18.074 1.00 13.34  ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.753 -2.293  -16.996 1.00 14.42  ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.244 -2.572  -17.052 1.00 13.15  ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.862 -2.481  -18.193 1.00 13.57  ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.428 -0.796  -17.134 1.00 15.39  ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.839 0.006   -15.898 1.00 18.60  ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -26.984 0.029   -15.584 1.00 18.29  ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -24.937 0.479   -15.166 1.00 25.45  ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.797 -2.984  -15.916 1.00 13.59  ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.239 -3.319  -15.747 1.00 13.83  ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -29.923 -2.408  -14.697 1.00 14.38  ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -30.977 -2.742  -14.206 1.00 15.06  ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.401 -4.815  -15.388 1.00 13.09  ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.822 -5.728  -16.499 1.00 13.88  ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.749 -5.207  -14.052 1.00 14.54  ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.269 -1.309  -14.339 1.00 14.31  ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.769 -0.339  -13.332 1.00 16.09  ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.255 -0.040  -13.556 1.00 15.87  ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.676 0.283   -14.688 1.00 15.89  ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -28.954 0.949   -13.405 1.00 17.03  ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.590 0.668   -13.038 1.00 21.19  ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.546 1.964   -12.441 1.00 21.97  ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -31.989 -0.115  -12.459 1.00 18.72  ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.433 0.175   -12.245 1.00 22.84  ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.369 -0.611  -13.160 1.00 22.94  ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.566 -0.281  -13.219 1.00 25.46  ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.652 1.685   -12.199 1.00 29.45  ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.451 2.419   -13.496 1.00 32.41  ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.659 3.244   -13.867 1.00 34.81  ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.550 4.238   -14.589 1.00 36.26  ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.827 2.767   -13.441 1.00 40.00  ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -33.946 -1.693  -13.787 1.00 15.38  ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.889 -2.542  -14.516 1.00 14.60  ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.559 -3.565  -13.603 1.00 13.85  ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -34.904 -4.116  -12.668 1.00 15.54  ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.142 -3.236  -15.661 1.00 14.58  ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.688 -2.269  -16.770 1.00 15.51  ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.243 -2.911  -18.053 1.00 16.04  ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.324 -3.626  -18.845 1.00 14.20  ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.520 -2.775  -19.147 1.00 13.10  ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.799 -3.871  -13.891 1.00 12.56  ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.612 -4.893  -13.210 1.00 12.45  ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.512 -6.266  -13.884 1.00 12.24  ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -37.906 -7.280  -13.309 1.00 13.54  ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.091 -4.483  -13.218 1.00 14.56  ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.384 -3.232  -12.422 1.00 15.56  ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.873 -2.853  -12.541 1.00 15.93  ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.287 -2.013  -11.757 1.00 19.20  ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.590 -3.401  -13.432 1.00 17.88  ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.151 -6.283  -15.160 1.00 12.39  ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.179 -7.524  -15.940 1.00 11.78  ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.189 -7.426  -17.104 1.00 13.14  ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.132 -6.377  -17.776 1.00 12.05  ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.560 -7.782  -16.459 1.00 13.98  ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.434 -8.496  -17.360 1.00 11.42  ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.460 -8.599  -18.493 1.00 11.66  ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -33.978 -10.032 -18.600 1.00 11.58  ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.027 -10.751 -17.593 1.00 11.90  ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.291 -7.612  -18.300 1.00 11.80  ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.634 -7.646  -16.952 1.00 11.68  ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.874 -6.813  -15.909 1.00 13.17  ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.685 -8.599  -16.410 1.00 11.54  ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.140 -7.119  -14.797 1.00 12.83  ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.411 -8.240  -15.075 1.00 12.75  ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.029 -9.725  -16.951 1.00 12.27  ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.511 -8.918  -14.275 1.00 12.52  ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.158 -10.423 -16.147 1.00 12.35  ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -29.887 -9.998  -14.840 1.00 13.18  ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.520 -10.394 -19.782 1.00 10.80  ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.724 -11.627 -20.023 1.00 11.47  ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.359 -11.205 -20.551 1.00 11.37  ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.304 -10.314 -21.415 1.00 11.78  ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.370 -12.579 -21.032 1.00 12.26  ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.841 -12.887 -20.862 1.00 12.96  ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.236 -13.015 -19.707 1.00 14.44  ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.576 -13.018 -21.850 1.00 13.44  ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.281 -11.919 -20.190 1.00 10.92  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -28.928 -11.674 -20.712 1.00 10.88  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.212 -13.005 -20.898 1.00 10.88  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.374 -13.914 -20.078 1.00 11.22  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.104 -10.830 -19.751 1.00 11.49  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.455 -9.361  -19.654 1.00 12.80  ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.646 -8.723  -18.534 1.00 13.17  ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.239 -8.672  -20.988 1.00 13.43  ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.405 -13.080 -21.954 1.00 9.85   ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.424 -14.168 -22.068 1.00 11.15  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.928 -14.260 -23.492 1.00 9.94   ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.535 -13.250 -24.065 1.00 10.45  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.854 -15.494 -24.005 0.25 10.29  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.947 -15.459 -24.052 0.25 10.89  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.452 -15.803 -25.411 0.25 10.08  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.375 -15.727 -25.399 0.25 10.99  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.449 -16.777 -26.029 0.25 10.37  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.272 -16.808 -26.017 0.25 11.02  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.185 -17.500 -25.344 0.25 10.77  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.862 -17.568 -25.264 0.25 11.55  ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.039 -16.402 -25.545 0.25 9.99   ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.887 -16.114 -25.247 0.25 11.98  ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.004 -15.367 -25.151 0.25 9.51   ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.718 -17.447 -24.531 0.25 11.94  ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.862 -17.690 -24.748 0.25 10.16  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.125 -16.079 -26.561 0.25 12.23  ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.424 -16.829 -27.341 1.00 10.43  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.246 -17.805 -28.041 1.00 11.40  ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.569 -18.218 -29.341 1.00 11.60  ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.678 -17.502 -29.849 1.00 11.58  ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.639 -17.246 -28.300 1.00 12.81  ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.730 -15.863 -29.463 1.00 13.50  ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.033 -19.331 -29.882 0.25 11.56  ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.009 -19.348 -29.877 0.25 12.25  ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.628 -19.751 -31.243 0.25 12.38  ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.566 -19.836 -31.209 0.25 13.62  ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.035 -18.700 -32.267 0.25 12.15  ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.080 -18.872 -32.297 0.25 13.08  ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.074 -18.053 -32.140 0.25 11.98  ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.268 -18.440 -32.213 0.25 13.10  ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.281 -21.078 -31.603 0.25 12.87  ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.056 -21.281 -31.367 0.25 14.96  ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.821 -22.190 -30.689 0.25 12.68  ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.347 -22.063 -32.460 0.25 16.02  ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.390 -23.514 -31.122 0.25 13.56  ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.920 -23.440 -32.675 0.25 16.38  ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.027 -24.567 -30.182 0.25 12.94  ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.804 -24.244 -31.483 0.25 17.02  ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.842 -25.553 -29.860 0.25 12.78  ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.824 -24.820 -30.841 0.25 16.27  ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.067 -25.582 -30.357 0.25 12.85  ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.052 -24.704 -31.296 0.25 17.92  ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.434 -26.493 -29.028 0.25 13.59  ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.600 -25.519 -29.747 0.25 15.71  ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.256 -18.590 -33.324 1.00 13.17  ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.650 -17.705 -34.440 1.00 15.45  ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.927 -18.259 -35.067 1.00 16.42  ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.663 -17.439 -35.672 1.00 19.69  ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.507 -17.622 -35.461 1.00 17.61  ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.073 -18.898 -36.125 1.00 23.39  ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.580 -20.005 -35.752 1.00 30.15  ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.243 -18.773 -37.091 1.00 31.34  ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.224 -19.552 -34.979 1.00 14.74  ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.341 -20.239 -35.672 1.00 17.11  ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.642 -20.266 -34.853 1.00 15.29  ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.552 -20.988 -35.216 1.00 16.18  ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -28.872 -21.657 -36.086 1.00 17.88  ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.423 -22.366 -34.997 1.00 20.05  ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.677 -19.611 -33.674 1.00 14.23  ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.925 -19.644 -32.880 1.00 14.86  ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.129 -19.151 -33.699 1.00 13.97  ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.003 -18.239 -34.508 1.00 14.94  ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.850 -18.931 -31.500 1.00 13.93  ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.828 -19.564 -30.569 1.00 14.21  ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.624 -17.445 -31.640 1.00 13.94  ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.249 -19.749 -33.362 1.00 15.42  ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.609 -19.325 -33.821 1.00 16.65  ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.804 -17.830 -33.532 1.00 16.29  ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.520 -17.390 -32.418 1.00 15.59  ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.646 -20.181 -33.098 1.00 19.02  ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.112 -19.836 -33.346 1.00 21.98  ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.029 -20.702 -32.491 1.00 24.04  ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.632 -21.729 -31.894 1.00 25.22  ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.295 -20.298 -32.377 1.00 24.83  ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.348 -17.098 -34.494 1.00 15.32  ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.642 -15.640 -34.373 1.00 13.15  ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.154 -15.417 -34.252 1.00 14.64  ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.524 -14.419 -33.657 1.00 14.53  ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.105 -14.850 -35.562 1.00 14.54  ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.629 -15.079 -35.862 1.00 14.15  ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.738 -14.868 -34.630 1.00 14.71  ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.353 -15.326 -34.924 1.00 15.55  ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.429 -14.624 -35.556 1.00 15.59  ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.684 -13.412 -35.968 1.00 16.98  ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.262 -15.160 -35.828 1.00 17.64  ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -38.988 -16.259 -34.856 1.00 15.07  ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.441 -15.952 -35.023 1.00 15.81  ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.278 -16.833 -34.131 1.00 17.84  ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.939 -18.041 -33.990 1.00 19.52  ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.836 -16.144 -36.492 1.00 16.18  ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -39.994 -15.390 -37.487 1.00 16.38  ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -39.909 -13.884 -37.261 1.00 18.44  ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.139 -13.216 -38.365 1.00 17.67  ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.049 -11.757 -38.120 1.00 18.67  ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.324 -16.290 -33.549 1.00 17.24  ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.213 -17.099 -32.719 1.00 16.84  ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.730 -17.280 -31.297 1.00 19.54  ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.760 -16.556 -30.872 1.00 18.00  ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.395 -18.168 -30.575 1.00 20.01  ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.145 -18.447 -29.152 1.00 20.28  ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.070 -19.515 -29.005 1.00 20.49  ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -41.983 -20.438 -29.824 1.00 20.23  ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.457 -18.858 -28.467 1.00 25.07  ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.470 -17.726 -28.492 1.00 28.58  ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.819 -18.175 -28.018 1.00 37.69  ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.140 -18.050 -26.841 1.00 49.04  ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.593 -18.735 -28.940 1.00 39.72  ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.218 -19.346 -28.003 1.00 16.67  ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.185 -20.328 -27.624 1.00 17.05  ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.734 -20.080 -26.195 1.00 17.33  ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.895 -18.990 -25.656 1.00 18.58  ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -38.974 -20.258 -28.555 1.00 17.54  ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.349 -18.899 -28.667 1.00 16.15  ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.376 -18.522 -27.754 1.00 15.89  ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.693 -18.008 -29.662 1.00 16.75  ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.753 -17.298 -27.858 1.00 14.99  ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.035 -16.798 -29.782 1.00 15.36  ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.070 -16.437 -28.877 1.00 15.23  ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.188 -21.100 -25.538 0.36 17.99  ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.141 -21.121 -25.610 0.34 16.58  ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.584 -20.904 -24.196 0.36 18.89  ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.512 -21.104 -24.266 0.34 16.51  ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.062 -20.772 -24.315 0.36 16.68  ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.019 -20.764 -24.366 0.34 15.34  ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.445 -21.339 -25.243 0.36 16.62  ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.354 -21.218 -25.342 0.34 15.19  ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.970 -21.979 -23.227 0.36 22.49  ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.708 -22.427 -23.588 0.34 17.45  ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.470 -23.231 -23.653 0.36 25.46  ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.084 -22.626 -23.276 0.34 17.32  ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.487 -20.025 -23.377 1.00 15.49  ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -35.040 -19.853 -23.279 1.00 16.54  ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.472 -21.082 -22.600 1.00 17.29  ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.639 -21.241 -21.403 1.00 19.60  ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.695 -18.611 -22.465 1.00 16.73  ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.101 -17.295 -23.104 1.00 16.16  ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.797 -16.138 -22.159 1.00 17.59  ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.460 -17.083 -24.476 1.00 17.42  ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.752 -21.946 -23.323 1.00 15.23  ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.147 -23.167 -22.775 1.00 15.57  ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.929 -23.505 -23.610 1.00 13.80  ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.889 -23.170 -24.797 1.00 13.63  ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.090 -24.344 -22.798 1.00 16.42  ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.436 -24.678 -24.138 1.00 19.84  ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.987 -24.258 -23.064 1.00 12.95  ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.865 -24.726 -23.869 1.00 13.90  ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.330 -25.612 -25.031 1.00 14.06  ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.723 -25.495 -26.135 1.00 15.07  ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.969 -25.482 -22.883 1.00 15.23  ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.305 -24.778 -21.544 1.00 14.97  ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.785 -24.514 -21.630 1.00 14.10  ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.405 -26.386 -24.840 1.00 15.70  ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -31.938 -27.230 -25.949 1.00 19.30  ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.360 -26.360 -27.136 1.00 18.61  ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.213 -26.781 -28.320 1.00 20.42  ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.085 -28.092 -25.441 1.00 23.69  ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.718 -28.881 -24.208 1.00 34.19  ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.243 -28.255 -22.925 1.00 42.14  ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.475 -27.472 -22.271 1.00 26.81  ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.432 -28.558 -22.580 1.00 51.37  ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.846 -25.135 -26.889 1.00 15.96  ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.241 -24.205 -27.967 1.00 15.27  ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.094 -23.266 -28.349 1.00 14.68  ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.288 -22.436 -29.253 1.00 15.73  ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.471 -23.390 -27.543 1.00 16.57  ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.766 -24.174 -27.555 1.00 19.35  ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.855 -25.245 -28.182 1.00 21.90  ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.748 -23.703 -26.800 1.00 20.87  ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.884 -23.451 -27.817 1.00 12.98  ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.731 -22.650 -28.225 1.00 12.43  ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.467 -21.375 -27.442 1.00 10.93  ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.818 -20.479 -27.959 1.00 12.00  ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.960 -21.303 -26.185 1.00 12.00  ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.757 -20.106 -25.327 1.00 11.82  ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.056 -20.475 -24.023 1.00 10.93  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.515 -21.481 -23.393 1.00 12.40  ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.122 -19.454 -24.992 1.00 12.06  ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.915 -18.965 -26.177 1.00 11.52  ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.795 -19.812 -26.821 1.00 12.21  ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.773 -17.669 -26.641 1.00 12.02  ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.518 -19.356 -27.920 1.00 13.22  ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.497 -17.225 -27.732 1.00 12.85  ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.355 -18.073 -28.364 1.00 12.20  ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.114 -19.635 -23.595 1.00 10.40  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.430 -19.773 -22.281 1.00 11.06  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.580 -18.422 -21.583 1.00 10.51  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.862 -17.465 -21.915 1.00 10.53  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.965 -20.221 -22.421 1.00 11.15  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.887 -21.586 -23.049 1.00 11.79  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.824 -22.803 -22.407 1.00 12.97  ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.880 -21.883 -24.475 1.00 12.22  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.831 -23.828 -23.348 1.00 12.56  ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.865 -23.290 -24.598 1.00 13.18  ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.946 -21.100 -25.620 1.00 12.02  ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.928 -23.916 -25.849 1.00 12.81  ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -25.983 -21.735 -26.854 1.00 13.67  ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -25.981 -23.098 -26.953 1.00 13.41  ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.585 -18.304 -20.703 1.00 11.40  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.092 -16.987 -20.231 1.00 11.14  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.385 -17.057 -18.720 1.00 10.56  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.673 -18.133 -18.169 1.00 10.88  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.350 -16.541 -20.971 1.00 11.33  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.397 -17.477 -20.748 1.00 11.91  ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.056 -16.378 -22.451 1.00 12.35  ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.444 -15.861 -18.132 1.00 11.02  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.061 -15.628 -16.790 1.00 10.96  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.059 -14.482 -16.956 1.00 11.74  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -30.988 -13.718 -17.955 1.00 10.98  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.035 -15.347 -15.679 1.00 11.51  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.323 -13.998 -15.829 1.00 12.13  ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.052 -16.496 -15.587 1.00 12.32  ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.489 -13.559 -14.668 1.00 12.85  ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -31.906 -14.342 -15.961 1.00 10.79  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -32.909 -13.251 -15.982 1.00 11.12  ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.283 -12.818 -14.589 1.00 12.16  ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.123 -13.524 -13.574 1.00 12.49  ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.138 -13.630 -16.754 1.00 12.84  ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.909 -14.802 -16.232 1.00 13.23  ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.689 -14.882 -15.104 1.00 13.09  ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.035 -16.033 -16.913 1.00 14.34  ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.337 -16.079 -15.090 1.00 14.84  ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -35.927 -16.819 -16.170 1.00 14.19  ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.443 -16.549 -18.067 1.00 15.05  ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.272 -18.109 -16.578 1.00 16.45  ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.816 -17.792 -18.472 1.00 16.23  ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.706 -18.554 -17.742 1.00 15.06  ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -33.841 -11.600 -14.563 1.00 12.46  ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.634 -11.059 -13.441 1.00 13.05  ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.105 -11.050 -13.862 1.00 12.59  ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.398 -10.544 -14.947 1.00 12.36  ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.208 -9.635  -13.112 1.00 13.00  ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.068 -8.892  -12.083 1.00 13.38  ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.102 -9.594  -10.724 1.00 13.42  ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.628 -7.459  -11.958 1.00 15.12  ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.000 -11.558 -13.016 1.00 13.46  ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.442 -11.548 -13.299 1.00 14.00  ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.189 -11.621 -11.966 1.00 14.89  ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -38.871 -12.510 -11.143 1.00 14.91  ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.742 -12.775 -14.145 1.00 17.78  ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.177 -13.045 -14.326 1.00 21.92  ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -40.931 -14.072 -13.813 1.00 22.75  ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.042 -12.221 -15.094 1.00 23.11  ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.212 -13.947 -14.251 1.00 24.16  ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.310 -12.829 -15.042 1.00 20.25  ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -40.880 -11.062 -15.841 1.00 24.81  ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.425 -12.290 -15.668 1.00 27.28  ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -41.992 -10.510 -16.443 1.00 29.61  ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.249 -11.106 -16.349 1.00 27.56  ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.091 -10.645 -11.720 1.00 14.28  ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -40.933 -10.671 -10.485 1.00 14.67  ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.070 -10.865 -9.259  1.00 16.61  ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.424 -11.729 -8.382  1.00 17.02  ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.002 -11.739 -10.646 1.00 16.82  ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -42.929 -11.405 -11.790 1.00 17.59  ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.211 -12.194 -11.854 1.00 22.13  ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.109 -11.824 -12.633 1.00 24.86  ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.294 -13.274 -11.088 1.00 19.19  ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.039 -10.070 -9.132  1.00 17.06  ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.230 -9.955  -7.907  1.00 21.55  ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.435 -11.242 -7.640  1.00 22.62  ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.861 -11.329 -6.540  1.00 28.79  ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.177 -9.671  -6.734  1.00 25.19  ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.596 -8.963  -5.548  1.00 34.05  ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.684 -8.113  -5.722  1.00 40.10  ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.133 -9.220  -4.439  1.00 41.89  ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.315 -12.152 -8.606  1.00 18.06  ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.383 -13.298 -8.456  1.00 19.69  ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.424 -13.370 -9.647  1.00 16.28  ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.795 -13.026 -10.815 1.00 17.05  ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.151 -14.535 -8.150  1.00 25.08  ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.764 -15.066 -9.284  1.00 33.03  ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.216 -13.843 -9.383  1.00 14.81  ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.214 -14.133 -10.438 1.00 13.69  ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.181 -15.632 -10.708 1.00 13.47  ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.190 -16.432 -9.760  1.00 14.09  ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.862 -13.626 -9.990  1.00 13.86  ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.792 -12.126 -9.745  1.00 14.42  ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.021 -11.585 -8.490  1.00 15.44  ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.445 -11.256 -10.773 1.00 12.96  ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -31.918 -10.218 -8.261  1.00 15.62  ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.359 -9.889  -10.558 1.00 13.45  ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.608 -9.374  -9.303  1.00 15.17  ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.538 -8.023  -9.094  1.00 16.08  ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.177 -16.045 -11.984 0.36 12.17  ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.121 -16.012 -11.984 0.34 13.34  ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.168 -17.481 -12.375 0.36 12.49  ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.145 -17.433 -12.401 0.34 14.31  ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.273 -17.699 -13.602 0.36 11.28  ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.125 -17.634 -13.530 0.34 12.20  ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.181 -16.819 -14.469 0.36 11.54  ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.727 -16.642 -14.196 0.34 11.37  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.560 -18.000 -12.705 0.36 12.42  ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.553 -17.844 -12.822 0.34 15.88  ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.557 -17.876 -11.556 0.36 13.03  ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.648 -17.427 -11.829 0.34 18.48  ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -36.985 -18.254 -11.959 0.36 13.71  ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -36.161 -18.518 -10.906 0.34 21.74  ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.447 -17.803 -13.003 0.36 14.19  ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.398 -19.451 -10.632 0.34 25.51  ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.645 -19.043 -11.247 0.36 15.10  ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -37.339 -18.439 -10.487 0.34 22.56  ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.639 -18.871 -13.663 1.00 11.95  ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.907 -19.289 -14.860 1.00 11.73  ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.864 -20.023 -15.783 1.00 12.38  ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.698 -20.840 -15.350 1.00 13.17  ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.711 -20.148 -14.523 1.00 12.73  ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.710 -19.774 -17.084 1.00 12.62  ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.510 -20.338 -18.179 1.00 13.95  ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.169 -21.790 -18.489 1.00 14.60  ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.958 -22.140 -19.630 1.00 15.72  ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.153 -22.666 -17.507 1.00 15.73  ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.200 -24.118 -17.723 1.00 17.04  ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.655 -24.532 -17.972 1.00 17.22  ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.537 -23.707 -17.802 1.00 21.51  ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.581 -24.784 -16.506 1.00 14.97  ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.244 -24.312 -15.316 1.00 15.26  ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.116 -24.535 -16.334 1.00 16.88  ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.884 -25.789 -18.338 1.00 21.42  ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.238 -26.342 -18.529 1.00 24.95  ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.388 -27.551 -17.603 1.00 26.32  ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.729 -28.562 -17.780 1.00 29.34  ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.460 -26.710 -19.992 1.00 29.59  ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.770 -27.230 -20.132 1.00 34.59  ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.099 -27.432 -16.479 1.00 24.57  ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.772 -26.197 -16.078 1.00 23.46  ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.797 -25.191 -15.439 1.00 20.06  ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.650 -25.533 -15.117 1.00 18.73  ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.762 -26.707 -15.037 1.00 27.88  ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.013 -27.847 -14.364 1.00 27.36  ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.225 -28.513 -15.472 1.00 27.32  ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.240 -23.962 -15.240 1.00 19.74  ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.359 -22.855 -14.786 1.00 17.55  ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.852 -23.122 -13.362 1.00 15.72  ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.516 -23.822 -12.574 1.00 17.23  ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.036 -21.477 -14.906 1.00 23.09  ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.084 -21.134 -13.853 1.00 28.42  ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.485 -21.440 -14.304 1.00 38.71  ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.718 -22.264 -15.187 1.00 44.42  ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.443 -20.774 -13.675 1.00 46.08  ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.698 -22.548 -13.046 1.00 14.12  ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.973 -22.738 -11.785 1.00 13.63  ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -33.003 -21.455 -10.967 1.00 13.43  ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.517 -20.405 -11.459 1.00 13.90  ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.545 -23.228 -12.042 1.00 13.77  ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.626 -24.448 -12.763 1.00 14.76  ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.757 -23.402 -10.770 1.00 14.29  ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.337 -21.544 -9.683  1.00 14.17  ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.252 -20.424 -8.731  1.00 13.98  ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.822 -19.963 -8.516  1.00 13.73  ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -30.916 -20.831 -8.259  1.00 15.53  ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.918 -20.846 -7.407  1.00 16.32  ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.281 -21.134 -7.674  1.00 18.64  ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.730 -19.795 -6.345  1.00 20.53  ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.542 -18.674 -8.604  1.00 12.96  ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.230 -18.083 -8.305  1.00 13.01  ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.296 -17.515 -6.890  1.00 16.74  ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.401 -17.205 -6.410  1.00 20.55  ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.807 -17.008 -9.320  1.00 13.13  ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.743 -17.523 -10.756 1.00 12.85  ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.508 -16.397 -11.726 1.00 14.07  ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.658 -18.583 -10.909 1.00 14.22  ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.158 -17.425 -6.232  1.00 15.55  ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.037 -16.953 -4.837  1.00 15.58  ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.155 -15.719 -4.882  1.00 17.70  ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -26.902 -15.832 -4.858  1.00 23.51  ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.416 -18.065 -3.988  1.00 17.09  ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.220 -19.329 -3.941  1.00 18.86  ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.981 -20.409 -4.789  1.00 23.38  ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.328 -19.635 -3.252  1.00 21.82  ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.906 -21.327 -4.556  1.00 23.92  ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.708 -20.896 -3.624  1.00 21.14  ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.738 -14.553 -4.954  1.00 19.69  ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -27.959 -13.287 -5.055  1.00 21.33  ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.306 -12.439 -3.804  1.00 23.80  ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.463 -12.186 -3.588  1.00 27.38  ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.295 -12.572 -6.377  1.00 25.01  ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.003 -13.458 -7.598  1.00 22.65  ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -27.539 -11.247 -6.421  1.00 28.58  ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.196 -12.770 -8.945  1.00 22.00  ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.321 -12.084 -3.006  1.00 28.25  ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.565 -11.273 -1.779  1.00 31.03  ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.552 -9.777  -2.130  1.00 27.38  ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.317 -9.015  -1.492  1.00 28.27  ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.524 -11.658 -0.732  1.00 36.50  ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.587 -10.816 0.545   1.00 46.94  ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -27.874 -10.917 1.341   1.00 54.42  ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.722 -11.786 1.124   1.00 58.48  ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.028 -10.011 2.296   1.00 60.26  ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -26.786 -9.371  -3.139  1.00 23.70  ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.660 -7.928  -3.539  1.00 20.86  ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.241 -7.736  -4.937  1.00 20.22  ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.634 -8.211  -5.895  1.00 19.39  ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.195 -7.492  -3.480  1.00 23.09  ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.004 -6.070  -3.998  1.00 24.27  ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.628 -7.622  -2.067  1.00 26.76  ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.457 -7.188  -5.105  1.00 19.98  ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.053 -7.078  -6.438  1.00 19.47  ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.074 -6.392  -7.372  1.00 19.52  ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.586 -5.322  -7.095  1.00 20.07  ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.317 -6.242  -6.181  1.00 22.69  ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.692 -6.656  -4.766  1.00 22.03  ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.386 -6.749  -4.037  1.00 23.35  ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.709 -6.996  -8.517  1.00 17.03  ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.726 -6.405  -9.410  1.00 17.19  ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.229 -5.185  -10.185 1.00 15.84  ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.346 -5.224  -10.672 1.00 16.90  ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.345 -7.571  -10.343 1.00 17.24  ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.476 -8.523  -10.234 1.00 17.83  ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.108 -8.358  -8.887  1.00 16.61  ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.379 -4.181  -10.307 1.00 15.70  ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.574 -3.065  -11.271 1.00 17.41  ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.807 -3.326  -12.559 1.00 15.30  ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.135 -2.750  -13.584 1.00 14.76  ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.154 -1.728  -10.697 1.00 21.11  ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.168 -1.307  -9.258  1.00 28.80  ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.733 -4.134  -12.526 0.25 15.30  ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.833 -4.238  -12.494 0.25 15.54  ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -23.968 -4.532  -13.750 0.25 15.77  ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -23.948 -4.584  -13.631 0.25 16.51  ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.572 -6.010  -13.647 0.25 15.03  ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.711 -6.095  -13.592 0.25 15.41  ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.112 -6.447  -12.565 0.25 13.56  ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.598 -6.674  -12.478 0.25 13.61  ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.693 -3.719  -14.014 0.25 17.50  ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.651 -3.777  -13.570 0.25 19.02  ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -22.909 -2.241  -14.289 0.25 19.18  ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -22.865 -2.279  -13.642 0.25 21.29  ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.856 -1.485  -12.987 0.25 21.25  ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.659 -1.521  -14.139 0.25 22.38  ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.159 -1.888  -12.057 0.25 22.98  ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.591 -2.079  -14.386 0.25 27.23  ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.637 -0.418  -12.900 0.25 20.54  ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.834 -0.227  -14.296 0.25 24.83  ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.742 -6.710  -14.775 1.00 14.17  ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.571 -8.179  -14.934 1.00 14.03  ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.362 -8.350  -15.860 1.00 13.97  ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.298 -7.759  -16.961 1.00 13.45  ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.829 -8.821  -15.522 1.00 15.32  ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.107 -8.615  -14.698 1.00 18.58  ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.562 -10.298 -15.829 1.00 15.69  ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.140 -9.393  -13.499 1.00 18.33  ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.434 -9.233  -15.490 1.00 13.75  ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.351 -9.692  -16.369 1.00 14.23  ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.668 -11.055 -16.957 1.00 13.10  ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.202 -11.934 -16.270 1.00 13.59  ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.439 -11.196 -18.271 1.00 12.86  ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.701 -12.466 -19.007 1.00 12.72  ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.395 -12.962 -19.614 1.00 13.65  ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.694 -12.188 -20.284 1.00 13.52  ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.748 -12.235 -20.102 1.00 14.01  ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.031 -11.698 -19.470 1.00 16.23  ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.024 -13.500 -20.893 1.00 14.50  ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.031 -11.280 -20.458 1.00 20.62  ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.031 -14.176 -19.274 1.00 13.46  ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.772 -14.804 -19.723 1.00 13.09  ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.121 -16.058 -20.498 1.00 11.95  ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.884 -16.916 -20.019 1.00 12.89  ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.923 -15.213 -18.531 1.00 13.92  ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.668 -15.988 -18.878 1.00 16.31  ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.648 -15.355 -19.560 1.00 17.62  ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.529 -17.317 -18.547 1.00 16.05  ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.477 -16.043 -19.870 1.00 20.10  ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.365 -18.013 -18.880 1.00 18.66  ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.336 -17.362 -19.512 1.00 18.08  ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.546 -16.186 -21.698 1.00 12.65  ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.715 -17.381 -22.566 1.00 12.64  ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.333 -17.985 -22.832 1.00 12.94  ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.451 -17.285 -23.306 1.00 14.56  ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.422 -17.061 -23.888 1.00 13.34  ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.563 -18.339 -24.723 1.00 14.77  ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.790 -16.424 -23.614 1.00 14.17  ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.176 -19.264 -22.525 1.00 13.56  ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -14.985 -20.051 -22.963 1.00 14.66  ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.497 -21.077 -23.962 1.00 12.28  ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.132 -22.062 -23.606 1.00 13.78  ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.242 -20.639 -21.786 1.00 14.33  ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -12.971 -21.387 -22.202 1.00 17.42  ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.879 -21.852 -23.386 1.00 18.19  ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.125 -21.523 -21.274 1.00 22.41  ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.278 -20.780 -25.242 1.00 14.76  ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.853 -21.606 -26.328 1.00 13.77  ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.315 -23.056 -26.257 1.00 15.00  ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.066 -24.013 -26.250 1.00 16.46  ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.596 -20.984 -27.713 1.00 14.88  ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.530 -21.545 -28.756 1.00 14.77  ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.365 -22.828 -29.252 1.00 14.30  ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.698 -20.890 -29.135 1.00 14.94  ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.259 -23.413 -30.117 1.00 14.15  ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.583 -21.451 -30.043 1.00 13.77  ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.388 -22.722 -30.544 1.00 13.69  ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.299 -23.320 -31.369 1.00 14.72  ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.001 -23.180 -26.171 1.00 17.65  ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.367 -24.520 -26.203 1.00 18.29  ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.785 -25.318 -24.970 1.00 17.44  ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.087 -26.507 -25.137 1.00 20.74  ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.858 -24.410 -26.365 1.00 21.05  ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.463 -24.250 -27.852 1.00 25.75  ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.846 -22.905 -28.360 1.00 28.87  ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.132 -22.815 -29.502 1.00 24.65  ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.881 -21.934 -27.540 1.00 31.01  ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.887 -24.702 -23.779 1.00 16.13  ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.265 -25.405 -22.543 1.00 17.13  ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.766 -25.698 -22.466 1.00 16.97  ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.164 -26.541 -21.646 1.00 18.38  ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.867 -24.599 -21.336 1.00 19.17  ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.608 -25.046 -23.283 1.00 13.79  ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.048 -25.193 -23.193 1.00 13.66  ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.624 -24.559 -21.916 1.00 12.94  ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.414 -25.249 -21.260 1.00 14.74  ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.198 -23.346 -21.618 1.00 13.12  ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.585 -22.644 -20.356 1.00 12.50  ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.206 -21.301 -20.670 1.00 12.10  ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.611 -20.513 -21.464 1.00 13.60  ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.342 -22.472 -19.470 1.00 14.47  ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.617 -21.516 -18.298 1.00 15.73  ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.903 -23.847 -18.982 1.00 15.05  ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.297 -20.976 -19.983 1.00 12.65  ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.843 -19.585 -19.920 1.00 12.33  ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.018 -19.231 -18.432 1.00 11.56  ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.785 -19.954 -17.773 1.00 12.27  ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.167 -19.473 -20.683 1.00 12.89  ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.655 -18.023 -20.650 1.00 12.98  ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.041 -19.981 -22.099 1.00 12.65  ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.378 -18.170 -17.981 1.00 11.56  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.464 -17.770 -16.565 1.00 12.57  ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -20.948 -16.326 -16.466 1.00 11.82  ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.614 -15.493 -17.279 1.00 13.10  ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.131 -17.973 -15.867 1.00 12.91  ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.788 -19.350 -15.744 1.00 13.74  ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.617 -16.054 -15.362 1.00 11.46  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.246 -14.763 -15.045 1.00 11.70  ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.697 -14.296 -13.703 1.00 11.31  ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.697 -15.079 -12.716 1.00 12.76  ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.776 -14.866 -15.024 1.00 12.16  ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.351 -15.246 -16.354 1.00 11.87  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.441 -16.592 -16.729 1.00 10.92  ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.861 -14.289 -17.212 1.00 11.25  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -24.932 -16.930 -17.980 1.00 11.70  ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.363 -14.643 -18.465 1.00 11.31  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.429 -15.963 -18.827 1.00 10.83  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.343 -13.020 -13.648 1.00 12.91  ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.662 -12.398 -12.480 1.00 13.57  ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.422 -11.139 -12.048 1.00 15.22  ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -21.900 -10.344 -12.864 1.00 14.08  ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.203 -12.102 -12.781 1.00 14.12  ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.412 -13.351 -13.047 1.00 14.38  ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -17.915 -14.121 -12.020 1.00 15.65  ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.225 -13.806 -14.332 1.00 15.67  ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.220 -15.294 -12.272 1.00 15.81  ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.552 -14.988 -14.613 1.00 16.44  ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.037 -15.743 -13.569 1.00 16.32  ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.387 -16.943 -13.801 1.00 18.33  ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.460 -10.909 -10.741 1.00 14.92  ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.166 -9.752  -10.122 1.00 14.35  ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.135 -8.631  -9.927  1.00 15.47  ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.354 -8.662  -8.936  1.00 16.61  ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.797 -10.191 -8.800  1.00 14.70  ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.602 -9.098  -8.112  1.00 15.69  ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.425 -7.929  -8.460  1.00 16.30  ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.496 -9.508  -7.253  1.00 17.15  ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.056 -7.652  -10.809 1.00 15.86  ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -19.979 -6.627  -10.788 1.00 17.08  ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.217 -5.745  -9.546  1.00 18.42  ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.216 -5.273  -8.964  1.00 21.19  ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -19.961 -5.834  -12.097 1.00 18.49  ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.807 -6.748  -13.329 1.00 19.77  ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -18.908 -4.732  -12.111 1.00 20.79  ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.717 -7.770  -13.188 1.00 22.25  ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.463 -5.521  -9.140  1.00 18.09  ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -21.846 -4.666  -7.975  1.00 19.00  ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.245 -5.288  -6.713  1.00 22.33  ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -20.783 -4.520  -5.838  1.00 25.44  ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.381 -4.511  -7.920  1.00 18.32  ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -23.820 -4.085  -9.214  1.00 19.67  ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -23.809 -3.528  -6.845  1.00 20.05  ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.197 -6.615  -6.626  1.00 20.70  ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.695 -7.394  -5.473  1.00 20.62  ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.268 -7.900  -5.743  1.00 21.78  ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.038 -9.089  -5.540  1.00 22.80  ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.698 -8.463  -5.119  1.00 20.32  ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.339 -9.226  -3.865  1.00 25.72  ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -20.878 -8.562  -2.902  1.00 24.85  ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.492 -10.461 -3.881  1.00 25.23  ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.385 -7.046  -6.229  1.00 23.34  ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -16.930 -7.345  -6.345  1.00 28.32  ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.694 -8.523  -7.297  1.00 26.62  ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -15.684 -9.238  -7.145  1.00 27.87  ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.296 -7.726  -4.993  1.00 34.34  ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.616 -6.875  -3.798  1.00 45.71  ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -15.995 -5.655  -3.558  1.00 53.88  ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.400 -7.115  -2.720  1.00 49.50  ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.435 -5.152  -2.417  1.00 57.65  ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.298 -6.033  -1.880  1.00 55.21  ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.579 -8.763  -8.265  1.00 21.98  ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.366 -9.849  -9.243  1.00 19.00  ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.800 -11.224 -8.781  1.00 18.27  ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.242 -12.181 -9.357  1.00 18.26  ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.616 -11.359 -7.741  1.00 17.49  ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.019 -12.676 -7.191  1.00 15.87  ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.733 -13.521 -8.260  1.00 16.34  ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.480 -12.991 -9.126  1.00 16.06  ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -19.851 -12.562 -5.944  1.00 17.61  ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.033 -11.813 -6.143  1.00 18.97  ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.474 -14.809 -8.291  1.00 14.83  ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.171 -15.710 -9.253  1.00 13.76  ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.671 -15.743 -9.005  1.00 13.86  ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.144 -15.956 -7.866  1.00 14.69  ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.617 -17.133 -9.102  1.00 14.21  ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.153 -18.167 -10.095 1.00 13.79  ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.778 -17.878 -11.553 1.00 14.30  ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.611 -19.570 -9.694  1.00 14.79  ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.437 -15.640 -10.096 1.00 12.59  ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -23.883 -15.840 -10.141 1.00 12.71  ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.232 -17.258 -10.573 1.00 11.78  ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.064 -17.939 -9.967  1.00 12.58  ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.568 -14.764 -11.011 1.00 12.75  ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.346 -13.372 -10.426 1.00 14.21  ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.060 -15.085 -11.149 1.00 13.23  ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.845 -12.248 -11.330 1.00 14.73  ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.693 -17.685 -11.732 1.00 11.41  ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.112 -18.973 -12.307 1.00 10.38  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.095 -19.379 -13.378 1.00 11.47  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.573 -18.511 -14.104 1.00 11.67  ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.491 -18.875 -13.018 1.00 12.09  ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.071 -20.212 -13.370 1.00 11.25  ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.707 -21.024 -12.436 1.00 11.89  ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.940 -20.729 -14.668 1.00 10.97  ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.214 -22.267 -12.777 1.00 13.20  ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.402 -21.986 -15.000 1.00 11.48  ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -27.011 -22.772 -14.054 1.00 13.03  ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.437 -24.032 -14.350 1.00 15.27  ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.839 -20.676 -13.482 1.00 11.89  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -21.994 -21.258 -14.559 1.00 12.08  ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.749 -22.375 -15.246 1.00 11.93  ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.157 -23.360 -14.616 1.00 12.25  ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.675 -21.822 -13.985 1.00 12.21  ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.865 -20.734 -13.590 1.00 12.68  ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.929 -22.624 -15.036 1.00 14.36  ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -22.956 -22.219 -16.564 1.00 12.09  ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.359 -23.324 -17.468 1.00 12.31  ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.071 -24.005 -17.918 1.00 12.94  ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.196 -23.365 -18.449 1.00 13.17  ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.057 -22.832 -18.728 1.00 12.07  ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.412 -22.194 -18.575 1.00 10.51  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.550 -20.837 -18.316 1.00 10.57  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.541 -22.955 -18.746 1.00 10.72  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.809 -20.277 -18.198 1.00 11.35  ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.813 -22.391 -18.596 1.00 11.66  ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.923 -21.037 -18.362 1.00 10.16  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -21.996 -25.304 -17.637 1.00 14.83  ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.848 -26.091 -18.113 1.00 16.20  ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.342 -27.235 -18.995 1.00 16.99  ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.549 -27.539 -19.085 1.00 18.27  ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.013 -26.514 -16.939 1.00 19.11  ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.665 -27.510 -16.214 1.00 23.27  ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.383 -27.885 -19.679 1.00 18.78  ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.742 -28.943 -20.665 1.00 20.57  ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.701 -28.390 -21.724 1.00 20.32  ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.621 -29.146 -22.167 1.00 21.74  ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.413 -30.142 -19.999 1.00 24.88  ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.759 -30.628 -18.734 1.00 30.49  ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.452 -31.914 -18.327 1.00 41.30  ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.378 -31.854 -17.497 1.00 47.72  ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -21.118 -32.967 -18.902 1.00 46.77  ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.515 -27.125 -22.128 1.00 17.00  ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.418 -26.479 -23.104 1.00 15.58  ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.185 -27.117 -24.474 1.00 17.77  ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.980 -27.374 -24.820 1.00 18.72  ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.225 -24.972 -23.247 1.00 14.86  ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.598 -24.081 -21.698 1.00 14.99  ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.258 -27.328 -25.221 1.00 16.32  ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.172 -27.817 -26.627 1.00 18.22  ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.560 -26.655 -27.529 1.00 16.14  ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.737 -26.469 -27.927 1.00 19.68  ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -24.001 -29.107 -26.805 1.00 21.35  ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.925 -29.578 -28.260 1.00 22.06  ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.525 -30.188 -25.864 1.00 24.42  ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.604 -25.780 -27.806 1.00 14.29  ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.877 -24.529 -28.544 1.00 14.93  ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.414 -24.869 -29.937 1.00 18.63  ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.396 -24.267 -30.384 1.00 18.56  ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.656 -23.638 -28.524 1.00 14.77  ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.224 -23.141 -27.165 1.00 13.09  ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.178 -22.641 -26.287 1.00 14.34  ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.889 -23.166 -26.765 1.00 14.76  ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.798 -22.169 -25.036 1.00 14.30  ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.513 -22.683 -25.519 1.00 15.16  ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.468 -22.158 -24.672 1.00 13.98  ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.767 -25.798 -30.639 1.00 15.61  ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.250 -26.349 -31.922 1.00 16.76  ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.315 -25.276 -32.999 1.00 15.87  ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.113 -25.459 -33.961 1.00 17.80  ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.541 -27.072 -31.749 1.00 16.68  ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.461 -24.263 -32.935 1.00 17.54  ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.410 -23.195 -33.945 1.00 18.76  ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.827 -21.923 -33.394 1.00 15.27  ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.426 -21.869 -32.211 1.00 16.09  ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.760 -20.889 -34.208 1.00 14.87  ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.287 -19.610 -33.755 1.00 14.51  ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.248 -19.063 -32.691 1.00 14.02  ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.469 -19.314 -32.778 1.00 14.29  ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.279 -18.714 -34.988 1.00 15.37  ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.440 -19.673 -36.160 1.00 15.91  ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.152 -20.867 -35.634 1.00 14.92  ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.679 -18.306 -31.768 1.00 14.53  ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.472 -17.686 -30.669 1.00 13.63  ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.591 -16.190 -30.912 1.00 14.90  ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.647 -15.518 -31.392 1.00 15.47  ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.780 -17.919 -29.324 1.00 14.49  ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.788 -19.353 -28.798 1.00 15.25  ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -20.946 -19.406 -27.540 1.00 15.45  ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.219 -19.856 -28.563 1.00 16.08  ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.740 -15.631 -30.499 1.00 13.54  ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.954 -14.167 -30.469 1.00 13.14  ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.341 -13.711 -29.070 1.00 10.99  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.114 -14.380 -28.421 1.00 11.60  ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.051 -13.824 -31.477 1.00 15.00  ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.525 -14.226 -32.858 1.00 19.19  ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.325 -13.846 -34.031 1.00 22.45  ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.312 -12.411 -34.157 1.00 20.81  ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -25.995 -11.788 -35.093 1.00 22.19  ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.656 -12.512 -35.980 1.00 21.63  ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.058 -10.469 -35.093 1.00 18.69  ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.883 -12.522 -28.644 1.00 11.62  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.404 -11.905 -27.410 1.00 10.89  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -25.920 -11.750 -27.566 1.00 11.40  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.428 -11.408 -28.649 1.00 11.37  ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.714 -10.538 -27.336 1.00 11.17  ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.436 -10.777 -28.147 1.00 12.48  ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.910 -11.638 -29.297 1.00 12.99  ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.648 -12.017 -26.485 1.00 10.74  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.121 -12.042 -26.480 1.00 11.12  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.645 -11.087 -25.391 1.00 10.28  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.174 -11.105 -24.237 1.00 10.19  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.617 -13.468 -26.195 1.00 11.57  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.122 -13.572 -26.059 1.00 12.08  ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -30.951 -13.527 -27.177 1.00 11.89  ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.716 -13.600 -24.812 1.00 12.73  ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.330 -13.615 -27.012 1.00 12.10  ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.090 -13.646 -24.668 1.00 11.79  ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.901 -13.668 -25.771 1.00 12.29  ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.715 -10.336 -25.718 1.00 10.67  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.345 -9.322  -24.851 1.00 10.45  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.859 -9.387  -24.962 1.00 11.25  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.371 -9.446  -26.095 1.00 11.24  ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.870 -7.905  -25.234 1.00 11.11  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.368 -7.758  -25.321 1.00 10.94  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.713 -8.063  -26.513 1.00 11.43  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.606 -7.317  -24.241 1.00 12.92  ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.327 -8.000  -26.607 1.00 11.91  ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.227 -7.174  -24.362 1.00 12.83  ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.591 -7.545  -25.524 1.00 12.30  ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.530 -9.219  -23.829 1.00 10.56  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -33.994 -8.960  -23.789 1.00 10.29  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.187 -7.827  -22.795 1.00 10.53  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.900 -8.022  -21.614 1.00 11.22  ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.777 -10.210 -23.385 1.00 10.39  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.282 -10.037 -23.474 1.00 12.44  ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.797 -8.948  -23.747 1.00 12.85  ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.011 -11.128 -23.328 1.00 12.18  ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.722 -6.684  -23.262 1.00 11.12  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.008 -5.521  -22.367 1.00 11.34  ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.262 -5.766  -21.529 1.00 11.78  ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.500 -4.978  -20.606 1.00 12.29  ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.091 -4.178  -23.126 1.00 12.25  ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.778 -3.852  -23.808 1.00 12.54  ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.241 -4.138  -24.120 1.00 11.68  ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.035 -6.787  -21.881 1.00 11.74  ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.326 -7.102  -21.231 1.00 13.13  ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.438 -6.154  -21.615 1.00 12.75  ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.206 -5.082  -22.190 1.00 11.88  ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.655 -6.622  -21.373 1.00 12.51  ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.848 -5.778  -21.572 1.00 12.61  ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -41.885 -4.693  -20.520 1.00 12.28  ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.157 -4.731  -19.530 1.00 12.18  ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.131 -6.628  -21.618 1.00 13.49  ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.246 -7.489  -22.842 1.00 15.01  ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.628 -6.939  -24.053 1.00 17.56  ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.025 -8.851  -22.765 1.00 16.22  ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.697 -7.733  -25.206 1.00 18.14  ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.165 -9.631  -23.910 1.00 17.85  ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.501 -9.071  -25.104 1.00 17.07  ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.771 -3.723  -20.772 1.00 12.92  ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -42.976 -2.608  -19.805 1.00 12.16  ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.486 -2.428  -19.596 1.00 12.33  ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.010 -1.297  -19.668 1.00 14.79  ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.316 -1.328  -20.287 1.00 12.41  ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.353 -0.221  -19.272 1.00 13.26  ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.397 -0.447  -18.054 1.00 12.80  ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.303 1.013   -19.767 1.00 14.84  ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.165 -3.491  -19.227 1.00 13.56  ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.592 -3.425  -18.849 1.00 12.89  ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.755 -2.610  -17.582 1.00 13.46  ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.861 -1.982  -17.381 1.00 14.98  ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.162 -4.843  -18.662 1.00 13.58  ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.245 -5.704  -19.893 1.00 16.08  ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.177 -5.430  -20.872 1.00 20.68  ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.418 -6.797  -20.048 1.00 18.25  ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.238 -6.174  -22.046 1.00 21.10  ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.468 -7.546  -21.222 1.00 18.51  ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.378 -7.235  -22.201 1.00 19.76  ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.442 -8.050  -23.330 1.00 26.83  ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.813 -2.641  -16.655 1.00 13.40  ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -45.911 -2.022  -15.318 1.00 13.99  ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.634 -0.513  -15.349 1.00 13.18  ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -45.959 0.166   -14.322 1.00 15.79  ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -44.937 -2.655  -14.370 1.00 13.94  ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.589 -2.377  -14.796 1.00 14.51  ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -44.990 -0.004  -16.384 1.00 12.41  ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.445 1.364   -16.385 1.00 13.51  ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.213 1.514   -15.532 1.00 14.94  ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.713 2.638   -15.453 1.00 15.78  ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.691 0.435   -14.916 1.00 13.74  ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.467 0.466   -14.116 1.00 13.24  ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.237 -0.151  -14.794 1.00 14.00  ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.170 -0.184  -14.119 1.00 15.69  ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.356 -0.557  -16.054 1.00 11.53  ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.257 -1.267  -16.744 1.00 12.09  ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.814 -0.547  -18.027 1.00 12.55  ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.277 -1.214  -18.927 1.00 12.69  ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.641 -2.707  -17.056 1.00 11.73  ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.413 -3.565  -17.323 1.00 11.83  ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.370 -3.350  -16.720 1.00 12.36  ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.582 -4.459  -18.284 1.00 11.56  ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.910 0.779   -18.106 1.00 12.78  ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.539 1.486   -19.361 1.00 12.91  ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.027 1.633   -19.532 1.00 12.31  ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.593 1.916   -20.660 1.00 14.45  ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.181 2.874   -19.370 1.00 14.33  ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.268 1.506   -18.457 1.00 13.07  ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.821 1.818   -18.489 1.00 13.69  ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.110 0.925   -19.516 1.00 13.23  ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.498 -0.212  -19.794 1.00 12.60  ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.223 1.653   -17.118 1.00 13.72  ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.015 1.422   -20.108 1.00 12.75  ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.268 0.644   -21.101 1.00 12.55  ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.346 -0.442  -20.502 1.00 11.79  ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.002 -0.392  -19.324 1.00 13.42  ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.382 1.725   -21.757 1.00 13.55  ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.150 2.720   -20.669 1.00 15.63  ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.481 2.787   -19.937 1.00 15.05  ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -30.959 -1.382  -21.335 1.00 12.18  ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.712 -2.155  -21.136 1.00 12.07  ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.570 -1.356  -21.768 1.00 13.12  ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.756 -0.870  -22.912 1.00 14.84  ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.865 -3.528  -21.767 1.00 12.53  ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.879 -4.500  -21.144 1.00 13.54  ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.034 -5.795  -21.945 1.00 14.43  ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.511 -4.839  -19.708 1.00 14.34  ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.409 -1.311  -21.105 1.00 13.15  ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.259 -0.543  -21.632 1.00 13.68  ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.025 -1.424  -21.617 1.00 13.27  ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.699 -1.956  -20.536 1.00 14.47  ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.018 0.737   -20.825 1.00 15.83  ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.213 1.654   -20.679 1.00 18.86  ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.778 2.970   -20.027 1.00 23.39  ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.917 3.895   -19.690 1.00 28.43  ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.413 5.089   -18.971 1.00 34.14  ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.322 -1.514  -22.724 1.00 14.14  ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -22.981 -2.184  -22.705 1.00 14.03  ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -21.997 -1.251  -22.029 1.00 17.05  ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.852 -0.088  -22.479 1.00 19.79  ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.602 -2.542  -24.144 1.00 14.62  ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.342 -3.782  -24.629 1.00 16.25  ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.479 -3.871  -26.133 1.00 20.25  ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.691 -5.041  -24.041 1.00 15.21  ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.304 -1.729  -21.005 1.00 17.18  ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.395 -0.892  -20.177 1.00 19.00  ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.033 -0.782  -20.821 1.00 20.90  ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.555 -1.714  -21.427 1.00 20.75  ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.097 -1.552  -18.849 1.00 20.89  ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.569 -1.990  -17.930 1.00 22.77  ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.360 0.372   -20.647 1.00 25.75  ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.050 0.580   -21.221 1.00 32.03  ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.063 -0.389  -20.575 1.00 31.24  ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.193 -0.650  -19.393 1.00 30.85  ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.768 2.062   -20.920 1.00 31.61  ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.660 2.418   -19.771 1.00 32.54  ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.888 1.548   -19.942 1.00 29.07  ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.161 -0.885  -21.411 1.00 34.69  ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.902 -1.602  -21.109 1.00 40.21  ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -12.942 -0.663  -20.375 1.00 43.05  ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.341 -1.108  -19.398 1.00 54.39  ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.293 -2.027  -22.449 1.00 39.23  ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.549 -3.418  -22.907 1.00 27.80  ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.180 -3.218  -23.133 1.00 21.11  ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.301 -4.076  -23.970 1.00 35.46  ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.220 -3.331  -25.155 1.00 40.92  ? 201 EDO B O2  1 
HETATM 1571 N N1  . RV4 C 3 .   ? -42.725 -16.794 -16.887 0.70 23.04  ? 202 RV4 B N1  1 
HETATM 1572 C C4  . RV4 C 3 .   ? -40.348 -16.245 -16.689 0.70 17.72  ? 202 RV4 B C4  1 
HETATM 1573 C C5  . RV4 C 3 .   ? -39.174 -15.776 -17.255 0.70 16.53  ? 202 RV4 B C5  1 
HETATM 1574 C C6  . RV4 C 3 .   ? -39.137 -15.379 -18.573 0.70 15.35  ? 202 RV4 B C6  1 
HETATM 1575 C C7  . RV4 C 3 .   ? -40.298 -15.462 -19.324 0.70 16.23  ? 202 RV4 B C7  1 
HETATM 1576 C C8  . RV4 C 3 .   ? -41.475 -15.950 -18.782 0.70 17.95  ? 202 RV4 B C8  1 
HETATM 1577 C C10 . RV4 C 3 .   ? -37.864 -12.852 -17.829 0.70 12.28  ? 202 RV4 B C10 1 
HETATM 1578 C C13 . RV4 C 3 .   ? -38.509 -12.691 -20.113 0.70 12.77  ? 202 RV4 B C13 1 
HETATM 1579 C C1  . RV4 C 3 .   ? -44.329 -18.302 -15.927 0.70 29.63  ? 202 RV4 B C1  1 
HETATM 1580 C C11 . RV4 C 3 .   ? -37.553 -11.384 -17.854 0.70 11.75  ? 202 RV4 B C11 1 
HETATM 1581 C C12 . RV4 C 3 .   ? -38.197 -11.216 -20.090 0.70 13.77  ? 202 RV4 B C12 1 
HETATM 1582 C C2  . RV4 C 3 .   ? -42.907 -17.852 -16.060 0.70 28.98  ? 202 RV4 B C2  1 
HETATM 1583 C C3  . RV4 C 3 .   ? -41.514 -16.304 -17.442 0.70 20.12  ? 202 RV4 B C3  1 
HETATM 1584 C C9  . RV4 C 3 .   ? -37.855 -14.870 -19.178 0.70 13.72  ? 202 RV4 B C9  1 
HETATM 1585 N N2  . RV4 C 3 .   ? -37.672 -13.411 -19.158 0.70 12.53  ? 202 RV4 B N2  1 
HETATM 1586 O O1  . RV4 C 3 .   ? -41.994 -18.396 -15.424 0.70 30.70  ? 202 RV4 B O1  1 
HETATM 1587 O O2  . RV4 C 3 .   ? -38.363 -10.669 -18.788 0.70 12.88  ? 202 RV4 B O2  1 
HETATM 1588 C C1  . EDO D 2 .   ? -38.746 -15.024 -23.232 0.70 26.83  ? 203 EDO B C1  1 
HETATM 1589 O O1  . EDO D 2 .   ? -40.019 -14.690 -22.706 0.70 23.65  ? 203 EDO B O1  1 
HETATM 1590 C C2  . EDO D 2 .   ? -38.870 -16.131 -24.188 0.70 26.72  ? 203 EDO B C2  1 
HETATM 1591 O O2  . EDO D 2 .   ? -39.808 -17.091 -23.738 0.70 28.95  ? 203 EDO B O2  1 
HETATM 1592 C C1  . EDO E 2 .   ? -50.443 -16.970 -33.058 1.00 46.55  ? 204 EDO B C1  1 
HETATM 1593 O O1  . EDO E 2 .   ? -49.088 -16.546 -33.083 1.00 39.59  ? 204 EDO B O1  1 
HETATM 1594 C C2  . EDO E 2 .   ? -50.952 -17.247 -31.701 1.00 45.84  ? 204 EDO B C2  1 
HETATM 1595 O O2  . EDO E 2 .   ? -51.110 -16.073 -30.959 1.00 48.84  ? 204 EDO B O2  1 
HETATM 1596 S S   . SO4 F 4 .   ? -40.385 -24.567 -26.377 1.00 41.35  ? 205 SO4 B S   1 
HETATM 1597 O O1  . SO4 F 4 .   ? -39.720 -23.559 -27.133 1.00 26.10  ? 205 SO4 B O1  1 
HETATM 1598 O O2  . SO4 F 4 .   ? -41.151 -25.404 -27.251 1.00 48.01  ? 205 SO4 B O2  1 
HETATM 1599 O O3  . SO4 F 4 .   ? -39.380 -25.375 -25.695 1.00 46.63  ? 205 SO4 B O3  1 
HETATM 1600 O O4  . SO4 F 4 .   ? -41.254 -23.982 -25.387 1.00 43.49  ? 205 SO4 B O4  1 
HETATM 1601 O O   . HOH G 5 .   ? -47.010 -16.643 -32.068 1.00 20.55  ? 301 HOH B O   1 
HETATM 1602 O O   . HOH G 5 .   ? -22.597 -1.722  -9.757  1.00 31.06  ? 302 HOH B O   1 
HETATM 1603 O O   . HOH G 5 .   ? -26.993 -28.518 -27.826 1.00 36.24  ? 303 HOH B O   1 
HETATM 1604 O O   . HOH G 5 .   ? -45.610 3.676   -34.054 1.00 21.86  ? 304 HOH B O   1 
HETATM 1605 O O   . HOH G 5 .   ? -8.889  -13.541 -25.086 1.00 40.81  ? 305 HOH B O   1 
HETATM 1606 O O   . HOH G 5 .   ? -13.491 -23.521 -31.488 1.00 16.40  ? 306 HOH B O   1 
HETATM 1607 O O   . HOH G 5 .   ? -38.521 0.726   -11.862 1.00 38.90  ? 307 HOH B O   1 
HETATM 1608 O O   . HOH G 5 .   ? -36.222 5.595   -15.910 1.00 25.34  ? 308 HOH B O   1 
HETATM 1609 O O   . HOH G 5 .   ? -32.880 1.264   -33.378 1.00 21.67  ? 309 HOH B O   1 
HETATM 1610 O O   . HOH G 5 .   ? -38.004 2.860   -22.746 1.00 20.27  ? 310 HOH B O   1 
HETATM 1611 O O   . HOH G 5 .   ? -15.453 -5.277  -13.726 1.00 35.32  ? 311 HOH B O   1 
HETATM 1612 O O   . HOH G 5 .   ? -29.444 -12.464 -37.693 1.00 25.29  ? 312 HOH B O   1 
HETATM 1613 O O   . HOH G 5 .   ? -45.410 0.094   -11.797 1.00 21.56  ? 313 HOH B O   1 
HETATM 1614 O O   . HOH G 5 .   ? -44.945 7.517   -24.687 1.00 38.60  ? 314 HOH B O   1 
HETATM 1615 O O   . HOH G 5 .   ? -24.606 -30.813 -21.877 1.00 41.37  ? 315 HOH B O   1 
HETATM 1616 O O   . HOH G 5 .   ? -47.146 1.372   -25.547 1.00 32.13  ? 316 HOH B O   1 
HETATM 1617 O O   . HOH G 5 .   ? -35.956 -22.116 -19.319 1.00 26.55  ? 317 HOH B O   1 
HETATM 1618 O O   . HOH G 5 .   ? -40.041 -1.009  -9.668  1.00 32.34  ? 318 HOH B O   1 
HETATM 1619 O O   . HOH G 5 .   ? -25.847 -22.668 -35.471 1.00 27.90  ? 319 HOH B O   1 
HETATM 1620 O O   . HOH G 5 .   ? -41.786 1.529   -22.594 1.00 31.54  ? 320 HOH B O   1 
HETATM 1621 O O   . HOH G 5 .   ? -30.656 -6.625  -11.172 1.00 15.67  ? 321 HOH B O   1 
HETATM 1622 O O   . HOH G 5 .   ? -10.872 -21.171 -24.987 1.00 32.01  ? 322 HOH B O   1 
HETATM 1623 O O   . HOH G 5 .   ? -36.628 -22.985 -30.684 1.00 31.81  ? 323 HOH B O   1 
HETATM 1624 O O   . HOH G 5 .   ? -38.290 4.028   -41.846 1.00 33.30  ? 324 HOH B O   1 
HETATM 1625 O O   . HOH G 5 .   ? -26.156 3.646   -35.098 1.00 30.12  ? 325 HOH B O   1 
HETATM 1626 O O   . HOH G 5 .   ? -36.717 -16.255 -39.488 1.00 29.24  ? 326 HOH B O   1 
HETATM 1627 O O   . HOH G 5 .   ? -30.153 -24.010 -33.624 1.00 30.08  ? 327 HOH B O   1 
HETATM 1628 O O   . HOH G 5 .   ? -18.652 -22.064 -35.679 1.00 18.01  ? 328 HOH B O   1 
HETATM 1629 O O   . HOH G 5 .   ? -23.688 1.033   -10.640 1.00 40.07  ? 329 HOH B O   1 
HETATM 1630 O O   . HOH G 5 .   ? -36.695 -26.099 -23.806 1.00 34.92  ? 330 HOH B O   1 
HETATM 1631 O O   . HOH G 5 .   ? -19.243 -29.749 -15.764 1.00 32.14  ? 331 HOH B O   1 
HETATM 1632 O O   . HOH G 5 .   ? -30.644 1.284   -16.965 1.00 28.99  ? 332 HOH B O   1 
HETATM 1633 O O   . HOH G 5 .   ? -17.586 -21.341 -12.290 1.00 20.98  ? 333 HOH B O   1 
HETATM 1634 O O   . HOH G 5 .   ? -23.235 4.376   -24.536 1.00 25.62  ? 334 HOH B O   1 
HETATM 1635 O O   . HOH G 5 .   ? -49.686 -1.906  -19.373 1.00 29.61  ? 335 HOH B O   1 
HETATM 1636 O O   . HOH G 5 .   ? -35.703 -19.166 -30.389 1.00 38.03  ? 336 HOH B O   1 
HETATM 1637 O O   . HOH G 5 .   ? -13.656 -21.031 -35.244 1.00 34.14  ? 337 HOH B O   1 
HETATM 1638 O O   . HOH G 5 .   ? -19.286 -4.263  -21.965 1.00 17.28  ? 338 HOH B O   1 
HETATM 1639 O O   . HOH G 5 .   ? -42.856 -15.290 -9.996  1.00 24.88  ? 339 HOH B O   1 
HETATM 1640 O O   . HOH G 5 .   ? -37.223 -25.480 -11.278 1.00 34.84  ? 340 HOH B O   1 
HETATM 1641 O O   . HOH G 5 .   ? -40.882 -9.270  -36.715 1.00 27.67  ? 341 HOH B O   1 
HETATM 1642 O O   . HOH G 5 .   ? -17.539 -27.647 -19.574 1.00 21.91  ? 342 HOH B O   1 
HETATM 1643 O O   . HOH G 5 .   ? -40.664 -14.440 -8.366  1.00 31.43  ? 343 HOH B O   1 
HETATM 1644 O O   . HOH G 5 .   ? -28.351 -21.562 -8.814  1.00 20.43  ? 344 HOH B O   1 
HETATM 1645 O O   . HOH G 5 .   ? -32.861 -18.681 -37.193 1.00 44.51  ? 345 HOH B O   1 
HETATM 1646 O O   . HOH G 5 .   ? -38.757 -2.482  -21.291 1.00 14.83  ? 346 HOH B O   1 
HETATM 1647 O O   . HOH G 5 .   ? -38.455 -7.628  -10.652 1.00 16.70  ? 347 HOH B O   1 
HETATM 1648 O O   . HOH G 5 .   ? -16.065 -19.579 -15.614 1.00 25.57  ? 348 HOH B O   1 
HETATM 1649 O O   . HOH G 5 .   ? -30.828 -20.239 -21.247 1.00 13.96  ? 349 HOH B O   1 
HETATM 1650 O O   . HOH G 5 .   ? -12.675 -21.201 -18.604 1.00 28.21  ? 350 HOH B O   1 
HETATM 1651 O O   . HOH G 5 .   ? -26.443 1.902   -10.863 1.00 34.35  ? 351 HOH B O   1 
HETATM 1652 O O   . HOH G 5 .   ? -20.876 -5.898  -2.210  1.00 47.13  ? 352 HOH B O   1 
HETATM 1653 O O   . HOH G 5 .   ? -23.141 2.316   -22.887 1.00 32.32  ? 353 HOH B O   1 
HETATM 1654 O O   . HOH G 5 .   ? -25.077 -14.302 -3.464  1.00 33.27  ? 354 HOH B O   1 
HETATM 1655 O O   . HOH G 5 .   ? -18.387 -4.583  -24.629 1.00 19.15  ? 355 HOH B O   1 
HETATM 1656 O O   . HOH G 5 .   ? -27.760 -27.411 -25.803 1.00 26.60  ? 356 HOH B O   1 
HETATM 1657 O O   . HOH G 5 .   ? -18.120 -17.247 -36.061 1.00 28.59  ? 357 HOH B O   1 
HETATM 1658 O O   . HOH G 5 .   ? -10.265 -23.515 -21.737 1.00 30.77  ? 358 HOH B O   1 
HETATM 1659 O O   . HOH G 5 .   ? -26.621 -17.568 -7.710  1.00 18.36  ? 359 HOH B O   1 
HETATM 1660 O O   . HOH G 5 .   ? -42.484 -5.732  -12.237 1.00 24.79  ? 360 HOH B O   1 
HETATM 1661 O O   . HOH G 5 .   ? -26.585 -25.756 -16.343 1.00 19.28  ? 361 HOH B O   1 
HETATM 1662 O O   . HOH G 5 .   ? -17.790 -19.794 -37.479 1.00 38.32  ? 362 HOH B O   1 
HETATM 1663 O O   . HOH G 5 .   ? -20.827 -16.124 -5.422  1.00 21.28  ? 363 HOH B O   1 
HETATM 1664 O O   . HOH G 5 .   ? -34.132 -21.904 -31.267 1.00 19.64  ? 364 HOH B O   1 
HETATM 1665 O O   . HOH G 5 .   ? -45.109 -12.276 -26.488 1.00 35.10  ? 365 HOH B O   1 
HETATM 1666 O O   . HOH G 5 .   ? -40.198 -14.294 -31.359 1.00 13.55  ? 366 HOH B O   1 
HETATM 1667 O O   . HOH G 5 .   ? -19.730 1.825   -30.453 1.00 32.12  ? 367 HOH B O   1 
HETATM 1668 O O   . HOH G 5 .   ? -36.069 -1.711  -33.803 1.00 29.93  ? 368 HOH B O   1 
HETATM 1669 O O   . HOH G 5 .   ? -36.453 -0.975  -22.006 1.00 14.71  ? 369 HOH B O   1 
HETATM 1670 O O   . HOH G 5 .   ? -36.947 0.850   -15.527 1.00 17.05  ? 370 HOH B O   1 
HETATM 1671 O O   . HOH G 5 .   ? -40.933 -5.953  -38.018 1.00 28.75  ? 371 HOH B O   1 
HETATM 1672 O O   . HOH G 5 .   ? -43.712 -0.658  -24.267 1.00 28.98  ? 372 HOH B O   1 
HETATM 1673 O O   . HOH G 5 .   ? -14.843 -19.749 -37.417 1.00 32.67  ? 373 HOH B O   1 
HETATM 1674 O O   . HOH G 5 .   ? -32.160 -4.910  -12.802 1.00 14.73  ? 374 HOH B O   1 
HETATM 1675 O O   . HOH G 5 .   ? -45.585 -19.590 -31.700 1.00 29.44  ? 375 HOH B O   1 
HETATM 1676 O O   . HOH G 5 .   ? -42.093 -3.925  -39.357 1.00 22.54  ? 376 HOH B O   1 
HETATM 1677 O O   . HOH G 5 .   ? -42.088 -12.793 -22.161 1.00 36.01  ? 377 HOH B O   1 
HETATM 1678 O O   . HOH G 5 .   ? -41.369 -9.776  -43.661 1.00 38.12  ? 378 HOH B O   1 
HETATM 1679 O O   . HOH G 5 .   ? -35.399 -4.583  -42.051 1.00 24.01  ? 379 HOH B O   1 
HETATM 1680 O O   . HOH G 5 .   ? -16.397 -5.533  -9.385  1.00 39.89  ? 380 HOH B O   1 
HETATM 1681 O O   . HOH G 5 .   ? -27.043 -20.177 -6.902  1.00 18.65  ? 381 HOH B O   1 
HETATM 1682 O O   . HOH G 5 .   ? -23.829 -12.364 -6.541  1.00 19.66  ? 382 HOH B O   1 
HETATM 1683 O O   . HOH G 5 .   ? -14.475 -16.605 -33.301 1.00 33.32  ? 383 HOH B O   1 
HETATM 1684 O O   . HOH G 5 .   ? -25.241 -10.441 -23.496 1.00 13.66  ? 384 HOH B O   1 
HETATM 1685 O O   . HOH G 5 .   ? -39.887 2.781   -16.053 1.00 17.46  ? 385 HOH B O   1 
HETATM 1686 O O   . HOH G 5 .   ? -41.329 5.387   -28.236 1.00 32.45  ? 386 HOH B O   1 
HETATM 1687 O O   . HOH G 5 .   ? -23.591 -20.962 -38.880 1.00 21.76  ? 387 HOH B O   1 
HETATM 1688 O O   . HOH G 5 .   ? -33.285 -14.821 -6.813  1.00 24.11  ? 388 HOH B O   1 
HETATM 1689 O O   . HOH G 5 .   ? -9.221  -20.817 -28.936 1.00 41.04  ? 389 HOH B O   1 
HETATM 1690 O O   . HOH G 5 .   ? -45.846 -4.326  -33.881 1.00 21.53  ? 390 HOH B O   1 
HETATM 1691 O O   . HOH G 5 .   ? -41.250 -8.455  -13.252 1.00 22.72  ? 391 HOH B O   1 
HETATM 1692 O O   . HOH G 5 .   ? -12.789 -18.532 -34.784 1.00 38.15  ? 392 HOH B O   1 
HETATM 1693 O O   . HOH G 5 .   ? -33.937 -21.809 -36.696 1.00 57.42  ? 393 HOH B O   1 
HETATM 1694 O O   . HOH G 5 .   ? -36.552 0.050   -42.311 1.00 31.50  ? 394 HOH B O   1 
HETATM 1695 O O   . HOH G 5 .   ? -35.410 -17.042 -7.946  1.00 41.92  ? 395 HOH B O   1 
HETATM 1696 O O   . HOH G 5 .   ? -40.709 6.329   -33.154 1.00 32.22  ? 396 HOH B O   1 
HETATM 1697 O O   . HOH G 5 .   ? -15.768 -14.643 -8.670  1.00 40.63  ? 397 HOH B O   1 
HETATM 1698 O O   . HOH G 5 .   ? -25.808 -26.890 -23.796 1.00 18.33  ? 398 HOH B O   1 
HETATM 1699 O O   . HOH G 5 .   ? -45.736 -14.646 -27.510 1.00 31.79  ? 399 HOH B O   1 
HETATM 1700 O O   . HOH G 5 .   ? -24.737 -15.056 -6.716  1.00 18.43  ? 400 HOH B O   1 
HETATM 1701 O O   . HOH G 5 .   ? -31.513 3.533   -26.672 1.00 27.87  ? 401 HOH B O   1 
HETATM 1702 O O   . HOH G 5 .   ? -33.422 -1.626  -38.332 1.00 24.09  ? 402 HOH B O   1 
HETATM 1703 O O   . HOH G 5 .   ? -9.211  -16.176 -26.493 1.00 32.08  ? 403 HOH B O   1 
HETATM 1704 O O   . HOH G 5 .   ? -17.784 -15.994 -6.156  1.00 27.00  ? 404 HOH B O   1 
HETATM 1705 O O   . HOH G 5 .   ? -18.933 -28.961 -23.361 1.00 29.79  ? 405 HOH B O   1 
HETATM 1706 O O   . HOH G 5 .   ? -38.544 3.969   -13.708 1.00 31.51  ? 406 HOH B O   1 
HETATM 1707 O O   . HOH G 5 .   ? -42.242 -4.967  -43.656 1.00 24.06  ? 407 HOH B O   1 
HETATM 1708 O O   . HOH G 5 .   ? -40.172 6.020   -26.003 1.00 40.97  ? 408 HOH B O   1 
HETATM 1709 O O   . HOH G 5 .   ? -24.535 -11.115 -4.149  1.00 25.35  ? 409 HOH B O   1 
HETATM 1710 O O   . HOH G 5 .   ? -17.853 -11.040 -35.520 1.00 28.68  ? 410 HOH B O   1 
HETATM 1711 O O   . HOH G 5 .   ? -28.601 8.055   -29.762 1.00 29.65  ? 411 HOH B O   1 
HETATM 1712 O O   . HOH G 5 .   ? -13.181 -6.374  -29.312 1.00 36.31  ? 412 HOH B O   1 
HETATM 1713 O O   . HOH G 5 .   ? -24.259 -4.229  -36.932 1.00 39.93  ? 413 HOH B O   1 
HETATM 1714 O O   . HOH G 5 .   ? -40.875 -8.862  -19.314 1.00 19.86  ? 414 HOH B O   1 
HETATM 1715 O O   . HOH G 5 .   ? -34.755 -8.910  -6.069  1.00 45.58  ? 415 HOH B O   1 
HETATM 1716 O O   . HOH G 5 .   ? -40.249 -7.384  -34.790 1.00 21.34  ? 416 HOH B O   1 
HETATM 1717 O O   . HOH G 5 .   ? -43.197 3.774   -18.770 1.00 21.33  ? 417 HOH B O   1 
HETATM 1718 O O   . HOH G 5 .   ? -19.999 2.306   -23.821 1.00 43.30  ? 418 HOH B O   1 
HETATM 1719 O O   . HOH G 5 .   ? -40.157 -11.406 -22.961 1.00 18.77  ? 419 HOH B O   1 
HETATM 1720 O O   . HOH G 5 .   ? -31.073 4.182   -24.345 1.00 28.92  ? 420 HOH B O   1 
HETATM 1721 O O   . HOH G 5 .   ? -25.038 7.123   -28.646 1.00 28.96  ? 421 HOH B O   1 
HETATM 1722 O O   . HOH G 5 .   ? -34.221 -7.183  -7.562  1.00 37.55  ? 422 HOH B O   1 
HETATM 1723 O O   . HOH G 5 .   ? -52.340 -14.264 -28.508 1.00 51.39  ? 423 HOH B O   1 
HETATM 1724 O O   . HOH G 5 .   ? -32.744 -23.521 -33.306 1.00 36.45  ? 424 HOH B O   1 
HETATM 1725 O O   . HOH G 5 .   ? -47.655 0.000   -32.674 0.50 21.67  ? 425 HOH B O   1 
HETATM 1726 O O   . HOH G 5 .   ? -36.786 -6.630  -8.651  1.00 38.23  ? 426 HOH B O   1 
HETATM 1727 O O   . HOH G 5 .   ? -15.804 -7.308  -11.015 1.00 38.61  ? 427 HOH B O   1 
HETATM 1728 O O   . HOH G 5 .   ? -30.693 -17.338 -42.751 1.00 39.98  ? 428 HOH B O   1 
HETATM 1729 O O   . HOH G 5 .   ? -25.870 -27.843 -21.131 1.00 54.71  ? 429 HOH B O   1 
HETATM 1730 O O   . HOH G 5 .   ? -42.150 -13.077 -40.921 1.00 42.53  ? 430 HOH B O   1 
HETATM 1731 O O   . HOH G 5 .   ? -21.493 6.826   -32.250 1.00 34.27  ? 431 HOH B O   1 
HETATM 1732 O O   . HOH G 5 .   ? -40.143 5.073   -22.144 1.00 33.52  ? 432 HOH B O   1 
HETATM 1733 O O   . HOH G 5 .   ? -22.911 8.346   -30.130 1.00 31.23  ? 433 HOH B O   1 
HETATM 1734 O O   . HOH G 5 .   ? -22.761 3.353   -20.484 1.00 40.35  ? 434 HOH B O   1 
HETATM 1735 O O   . HOH G 5 .   ? -38.545 -16.145 -41.087 1.00 43.20  ? 435 HOH B O   1 
HETATM 1736 O O   . HOH G 5 .   ? -36.763 2.415   -43.214 1.00 52.35  ? 436 HOH B O   1 
HETATM 1737 O O   . HOH G 5 .   ? -15.841 -22.367 -14.520 1.00 32.33  ? 437 HOH B O   1 
HETATM 1738 O O   . HOH G 5 .   ? -15.683 -26.991 -17.127 1.00 43.68  ? 438 HOH B O   1 
HETATM 1739 O O   . HOH G 5 .   ? -28.414 -27.801 -16.748 1.00 29.68  ? 439 HOH B O   1 
HETATM 1740 O O   . HOH G 5 .   ? -26.401 -31.233 -23.878 1.00 37.00  ? 440 HOH B O   1 
# 
