data_7HO5
# 
_entry.id   7HO5 
# 
_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   7HO5         pdb_00007ho5 10.2210/pdb7ho5/pdb 
WWPDB D_1001407719 ?            ?                   
# 
_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                        7HO5 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'          21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                                62.068    2   ?        ? ? ? 
3 non-polymer syn '(1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone' 165.192   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                 96.063    1   ?        ? ? ? 
5 water       nat water                                         18.015    142 ?        ? ? ? 
# 
_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 '(1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone' UXD 
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 
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 
UXD non-polymer         . '(1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone' ?                 'C8 H11 N3 O'    165.192 
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        UXD 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   UXD 
_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 UXD 1   202 302 UXD LIG B . 
D 2 EDO 1   203 305 EDO EDO B . 
E 4 SO4 1   204 1   SO4 SO4 B . 
F 5 HOH 1   301 11  HOH HOH B . 
F 5 HOH 2   302 4   HOH HOH B . 
F 5 HOH 3   303 2   HOH HOH B . 
F 5 HOH 4   304 29  HOH HOH B . 
F 5 HOH 5   305 12  HOH HOH B . 
F 5 HOH 6   306 21  HOH HOH B . 
F 5 HOH 7   307 26  HOH HOH B . 
F 5 HOH 8   308 27  HOH HOH B . 
F 5 HOH 9   309 1   HOH HOH B . 
F 5 HOH 10  310 33  HOH HOH B . 
F 5 HOH 11  311 99  HOH HOH B . 
F 5 HOH 12  312 40  HOH HOH B . 
F 5 HOH 13  313 63  HOH HOH B . 
F 5 HOH 14  314 34  HOH HOH B . 
F 5 HOH 15  315 5   HOH HOH B . 
F 5 HOH 16  316 95  HOH HOH B . 
F 5 HOH 17  317 16  HOH HOH B . 
F 5 HOH 18  318 25  HOH HOH B . 
F 5 HOH 19  319 90  HOH HOH B . 
F 5 HOH 20  320 129 HOH HOH B . 
F 5 HOH 21  321 51  HOH HOH B . 
F 5 HOH 22  322 102 HOH HOH B . 
F 5 HOH 23  323 100 HOH HOH B . 
F 5 HOH 24  324 86  HOH HOH B . 
F 5 HOH 25  325 11  HOH HOH B . 
F 5 HOH 26  326 31  HOH HOH B . 
F 5 HOH 27  327 9   HOH HOH B . 
F 5 HOH 28  328 70  HOH HOH B . 
F 5 HOH 29  329 157 HOH HOH B . 
F 5 HOH 30  330 10  HOH HOH B . 
F 5 HOH 31  331 16  HOH HOH B . 
F 5 HOH 32  332 39  HOH HOH B . 
F 5 HOH 33  333 72  HOH HOH B . 
F 5 HOH 34  334 80  HOH HOH B . 
F 5 HOH 35  335 58  HOH HOH B . 
F 5 HOH 36  336 68  HOH HOH B . 
F 5 HOH 37  337 89  HOH HOH B . 
F 5 HOH 38  338 18  HOH HOH B . 
F 5 HOH 39  339 81  HOH HOH B . 
F 5 HOH 40  340 62  HOH HOH B . 
F 5 HOH 41  341 36  HOH HOH B . 
F 5 HOH 42  342 2   HOH HOH B . 
F 5 HOH 43  343 20  HOH HOH B . 
F 5 HOH 44  344 26  HOH HOH B . 
F 5 HOH 45  345 22  HOH HOH B . 
F 5 HOH 46  346 7   HOH HOH B . 
F 5 HOH 47  347 85  HOH HOH B . 
F 5 HOH 48  348 126 HOH HOH B . 
F 5 HOH 49  349 267 HOH HOH B . 
F 5 HOH 50  350 55  HOH HOH B . 
F 5 HOH 51  351 29  HOH HOH B . 
F 5 HOH 52  352 27  HOH HOH B . 
F 5 HOH 53  353 28  HOH HOH B . 
F 5 HOH 54  354 50  HOH HOH B . 
F 5 HOH 55  355 19  HOH HOH B . 
F 5 HOH 56  356 10  HOH HOH B . 
F 5 HOH 57  357 66  HOH HOH B . 
F 5 HOH 58  358 15  HOH HOH B . 
F 5 HOH 59  359 211 HOH HOH B . 
F 5 HOH 60  360 4   HOH HOH B . 
F 5 HOH 61  361 1   HOH HOH B . 
F 5 HOH 62  362 47  HOH HOH B . 
F 5 HOH 63  363 93  HOH HOH B . 
F 5 HOH 64  364 6   HOH HOH B . 
F 5 HOH 65  365 61  HOH HOH B . 
F 5 HOH 66  366 184 HOH HOH B . 
F 5 HOH 67  367 25  HOH HOH B . 
F 5 HOH 68  368 8   HOH HOH B . 
F 5 HOH 69  369 17  HOH HOH B . 
F 5 HOH 70  370 43  HOH HOH B . 
F 5 HOH 71  371 304 HOH HOH B . 
F 5 HOH 72  372 13  HOH HOH B . 
F 5 HOH 73  373 59  HOH HOH B . 
F 5 HOH 74  374 3   HOH HOH B . 
F 5 HOH 75  375 3   HOH HOH B . 
F 5 HOH 76  376 116 HOH HOH B . 
F 5 HOH 77  377 71  HOH HOH B . 
F 5 HOH 78  378 214 HOH HOH B . 
F 5 HOH 79  379 14  HOH HOH B . 
F 5 HOH 80  380 264 HOH HOH B . 
F 5 HOH 81  381 76  HOH HOH B . 
F 5 HOH 82  382 82  HOH HOH B . 
F 5 HOH 83  383 24  HOH HOH B . 
F 5 HOH 84  384 32  HOH HOH B . 
F 5 HOH 85  385 45  HOH HOH B . 
F 5 HOH 86  386 172 HOH HOH B . 
F 5 HOH 87  387 32  HOH HOH B . 
F 5 HOH 88  388 281 HOH HOH B . 
F 5 HOH 89  389 46  HOH HOH B . 
F 5 HOH 90  390 137 HOH HOH B . 
F 5 HOH 91  391 64  HOH HOH B . 
F 5 HOH 92  392 303 HOH HOH B . 
F 5 HOH 93  393 48  HOH HOH B . 
F 5 HOH 94  394 156 HOH HOH B . 
F 5 HOH 95  395 56  HOH HOH B . 
F 5 HOH 96  396 125 HOH HOH B . 
F 5 HOH 97  397 60  HOH HOH B . 
F 5 HOH 98  398 97  HOH HOH B . 
F 5 HOH 99  399 23  HOH HOH B . 
F 5 HOH 100 400 18  HOH HOH B . 
F 5 HOH 101 401 33  HOH HOH B . 
F 5 HOH 102 402 8   HOH HOH B . 
F 5 HOH 103 403 49  HOH HOH B . 
F 5 HOH 104 404 20  HOH HOH B . 
F 5 HOH 105 405 54  HOH HOH B . 
F 5 HOH 106 406 112 HOH HOH B . 
F 5 HOH 107 407 30  HOH HOH B . 
F 5 HOH 108 408 42  HOH HOH B . 
F 5 HOH 109 409 7   HOH HOH B . 
F 5 HOH 110 410 57  HOH HOH B . 
F 5 HOH 111 411 120 HOH HOH B . 
F 5 HOH 112 412 257 HOH HOH B . 
F 5 HOH 113 413 154 HOH HOH B . 
F 5 HOH 114 414 38  HOH HOH B . 
F 5 HOH 115 415 22  HOH HOH B . 
F 5 HOH 116 416 15  HOH HOH B . 
F 5 HOH 117 417 103 HOH HOH B . 
F 5 HOH 118 418 140 HOH HOH B . 
F 5 HOH 119 419 263 HOH HOH B . 
F 5 HOH 120 420 41  HOH HOH B . 
F 5 HOH 121 421 69  HOH HOH B . 
F 5 HOH 122 422 5   HOH HOH B . 
F 5 HOH 123 423 44  HOH HOH B . 
F 5 HOH 124 424 53  HOH HOH B . 
F 5 HOH 125 425 19  HOH HOH B . 
F 5 HOH 126 426 197 HOH HOH B . 
F 5 HOH 127 427 30  HOH HOH B . 
F 5 HOH 128 428 133 HOH HOH B . 
F 5 HOH 129 429 114 HOH HOH B . 
F 5 HOH 130 430 266 HOH HOH B . 
F 5 HOH 131 431 107 HOH HOH B . 
F 5 HOH 132 432 23  HOH HOH B . 
F 5 HOH 133 433 115 HOH HOH B . 
F 5 HOH 134 434 21  HOH HOH B . 
F 5 HOH 135 435 98  HOH HOH B . 
F 5 HOH 136 436 104 HOH HOH B . 
F 5 HOH 137 437 166 HOH HOH B . 
F 5 HOH 138 438 205 HOH HOH B . 
F 5 HOH 139 439 127 HOH HOH B . 
F 5 HOH 140 440 14  HOH HOH B . 
F 5 HOH 141 441 131 HOH HOH B . 
F 5 HOH 142 442 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HO5 
_cell.length_a           95.394 
_cell.length_b           95.394 
_cell.length_c           45.715 
_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                         7HO5 
_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          7HO5 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.92 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-04 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HO5 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.450 
_reflns.d_resolution_high            1.180 
_reflns.number_obs                   61408 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         90.900 
_reflns.pdbx_Rmerge_I_obs            0.048 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        22.700 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              9.500 
_reflns.pdbx_Rrim_I_all              0.050 
_reflns.pdbx_Rpim_I_all              0.014 
_reflns.pdbx_CC_half                 1.000 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     585934 
_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 1.180 1.200  ? 1471 1189 ? 0.608 ? ? ? 1.200  ? 0.500   ? ? ? ? ? ? 35.800 0.836 0.570 0.511 
1 2 6.460 67.450 ? 5601 445  ? 0.032 ? ? ? 12.600 ? 125.300 ? ? ? ? ? ? 99.900 0.033 0.010 0.998 
# 
_refine.entry_id                                 7HO5 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.1800 
_refine.ls_d_res_low                             67.4500 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    90.8000 
_refine.ls_number_reflns_obs                     58429 
_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                          0.1802 
_refine.ls_R_factor_R_work                       0.1793 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1959 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2978 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               15.0350 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0400 
_refine.aniso_B[2][2]                            0.0400 
_refine.aniso_B[3][3]                            -0.0800 
_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          0.9650 
_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                       0.0430 
_refine.pdbx_overall_ESU_R_Free                  0.0440 
_refine.overall_SU_ML                            0.0340 
_refine.overall_SU_B                             0.8150 
_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                                69.340 
_refine.B_iso_min                                7.540 
_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                       1.1800 
_refine_hist.d_res_low                        67.4500 
_refine_hist.pdbx_number_atoms_ligand         25 
_refine_hist.number_atoms_solvent             142 
_refine_hist.number_atoms_total               1660 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           31.93 
_refine_hist.pdbx_B_iso_mean_solvent          25.50 
_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       1985 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1602 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2500 1.832  1.640  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3701 1.446  1.580  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.192  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 109  27.649 21.009 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  11.235 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   21.362 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         217  0.083  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2228 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     492  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            950  1.296  1.331  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.267  1.319  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.055  1.990  ? ? 
# 
_refine_ls_shell.d_res_high                       1.1800 
_refine_ls_shell.d_res_low                        1.2110 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               38.6000 
_refine_ls_shell.number_reflns_R_work             1841 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3440 
_refine_ls_shell.R_factor_R_free                  0.3510 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             88 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                1929 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HO5 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1266933824' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HO5 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 2 ? 
E N N 4 ? 
F N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HO5 
_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 7HO5 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HO5 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HO5 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HO5 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HO5 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HO5 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HO5 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HO5 MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -1.75 
# 
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                   7HO5 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                127.96 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            16.16 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 70.87   35.65 
2 1 GLN B 78  ? ? 59.41   14.50 
3 1 ASP B 152 ? ? -103.41 53.10 
# 
_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     429 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   F 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
PHE N    N N N 260 
PHE CA   C N S 261 
PHE C    C N N 262 
PHE O    O N N 263 
PHE CB   C N N 264 
PHE CG   C Y N 265 
PHE CD1  C Y N 266 
PHE CD2  C Y N 267 
PHE CE1  C Y N 268 
PHE CE2  C Y N 269 
PHE CZ   C Y N 270 
PHE OXT  O N N 271 
PHE H    H N N 272 
PHE H2   H N N 273 
PHE HA   H N N 274 
PHE HB2  H N N 275 
PHE HB3  H N N 276 
PHE HD1  H N N 277 
PHE HD2  H N N 278 
PHE HE1  H N N 279 
PHE HE2  H N N 280 
PHE HZ   H N N 281 
PHE HXT  H N N 282 
PRO N    N N N 283 
PRO CA   C N S 284 
PRO C    C N N 285 
PRO O    O N N 286 
PRO CB   C N N 287 
PRO CG   C N N 288 
PRO CD   C N N 289 
PRO OXT  O N N 290 
PRO H    H N N 291 
PRO HA   H N N 292 
PRO HB2  H N N 293 
PRO HB3  H N N 294 
PRO HG2  H N N 295 
PRO HG3  H N N 296 
PRO HD2  H N N 297 
PRO HD3  H N N 298 
PRO HXT  H N N 299 
SER N    N N N 300 
SER CA   C N S 301 
SER C    C N N 302 
SER O    O N N 303 
SER CB   C N N 304 
SER OG   O N N 305 
SER OXT  O N N 306 
SER H    H N N 307 
SER H2   H N N 308 
SER HA   H N N 309 
SER HB2  H N N 310 
SER HB3  H N N 311 
SER HG   H N N 312 
SER HXT  H N N 313 
SO4 S    S N N 314 
SO4 O1   O N N 315 
SO4 O2   O N N 316 
SO4 O3   O N N 317 
SO4 O4   O N N 318 
THR N    N N N 319 
THR CA   C N S 320 
THR C    C N N 321 
THR O    O N N 322 
THR CB   C N R 323 
THR OG1  O N N 324 
THR CG2  C N N 325 
THR OXT  O N N 326 
THR H    H N N 327 
THR H2   H N N 328 
THR HA   H N N 329 
THR HB   H N N 330 
THR HG1  H N N 331 
THR HG21 H N N 332 
THR HG22 H N N 333 
THR HG23 H N N 334 
THR HXT  H N N 335 
TRP N    N N N 336 
TRP CA   C N S 337 
TRP C    C N N 338 
TRP O    O N N 339 
TRP CB   C N N 340 
TRP CG   C Y N 341 
TRP CD1  C Y N 342 
TRP CD2  C Y N 343 
TRP NE1  N Y N 344 
TRP CE2  C Y N 345 
TRP CE3  C Y N 346 
TRP CZ2  C Y N 347 
TRP CZ3  C Y N 348 
TRP CH2  C Y N 349 
TRP OXT  O N N 350 
TRP H    H N N 351 
TRP H2   H N N 352 
TRP HA   H N N 353 
TRP HB2  H N N 354 
TRP HB3  H N N 355 
TRP HD1  H N N 356 
TRP HE1  H N N 357 
TRP HE3  H N N 358 
TRP HZ2  H N N 359 
TRP HZ3  H N N 360 
TRP HH2  H N N 361 
TRP HXT  H N N 362 
TYR N    N N N 363 
TYR CA   C N S 364 
TYR C    C N N 365 
TYR O    O N N 366 
TYR CB   C N N 367 
TYR CG   C Y N 368 
TYR CD1  C Y N 369 
TYR CD2  C Y N 370 
TYR CE1  C Y N 371 
TYR CE2  C Y N 372 
TYR CZ   C Y N 373 
TYR OH   O N N 374 
TYR OXT  O N N 375 
TYR H    H N N 376 
TYR H2   H N N 377 
TYR HA   H N N 378 
TYR HB2  H N N 379 
TYR HB3  H N N 380 
TYR HD1  H N N 381 
TYR HD2  H N N 382 
TYR HE1  H N N 383 
TYR HE2  H N N 384 
TYR HH   H N N 385 
TYR HXT  H N N 386 
UXD N1   N Y N 387 
UXD C4   C N N 388 
UXD C5   C Y N 389 
UXD C6   C Y N 390 
UXD C7   C Y N 391 
UXD N    N N N 392 
UXD C    C N N 393 
UXD O    O N N 394 
UXD C1   C N N 395 
UXD C2   C N N 396 
UXD C3   C N N 397 
UXD N2   N Y N 398 
UXD H1   H N N 399 
UXD H2   H N N 400 
UXD H3   H N N 401 
UXD H4   H N N 402 
UXD H5   H N N 403 
UXD H6   H N N 404 
UXD H7   H N N 405 
UXD H8   H N N 406 
UXD H9   H N N 407 
UXD H10  H N N 408 
UXD H11  H N N 409 
VAL N    N N N 410 
VAL CA   C N S 411 
VAL C    C N N 412 
VAL O    O N N 413 
VAL CB   C N N 414 
VAL CG1  C N N 415 
VAL CG2  C N N 416 
VAL OXT  O N N 417 
VAL H    H N N 418 
VAL H2   H N N 419 
VAL HA   H N N 420 
VAL HB   H N N 421 
VAL HG11 H N N 422 
VAL HG12 H N N 423 
VAL HG13 H N N 424 
VAL HG21 H N N 425 
VAL HG22 H N N 426 
VAL HG23 H N N 427 
VAL HXT  H N N 428 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
PHE N   CA   sing N N 246 
PHE N   H    sing N N 247 
PHE N   H2   sing N N 248 
PHE CA  C    sing N N 249 
PHE CA  CB   sing N N 250 
PHE CA  HA   sing N N 251 
PHE C   O    doub N N 252 
PHE C   OXT  sing N N 253 
PHE CB  CG   sing N N 254 
PHE CB  HB2  sing N N 255 
PHE CB  HB3  sing N N 256 
PHE CG  CD1  doub Y N 257 
PHE CG  CD2  sing Y N 258 
PHE CD1 CE1  sing Y N 259 
PHE CD1 HD1  sing N N 260 
PHE CD2 CE2  doub Y N 261 
PHE CD2 HD2  sing N N 262 
PHE CE1 CZ   doub Y N 263 
PHE CE1 HE1  sing N N 264 
PHE CE2 CZ   sing Y N 265 
PHE CE2 HE2  sing N N 266 
PHE CZ  HZ   sing N N 267 
PHE OXT HXT  sing N N 268 
PRO N   CA   sing N N 269 
PRO N   CD   sing N N 270 
PRO N   H    sing N N 271 
PRO CA  C    sing N N 272 
PRO CA  CB   sing N N 273 
PRO CA  HA   sing N N 274 
PRO C   O    doub N N 275 
PRO C   OXT  sing N N 276 
PRO CB  CG   sing N N 277 
PRO CB  HB2  sing N N 278 
PRO CB  HB3  sing N N 279 
PRO CG  CD   sing N N 280 
PRO CG  HG2  sing N N 281 
PRO CG  HG3  sing N N 282 
PRO CD  HD2  sing N N 283 
PRO CD  HD3  sing N N 284 
PRO OXT HXT  sing N N 285 
SER N   CA   sing N N 286 
SER N   H    sing N N 287 
SER N   H2   sing N N 288 
SER CA  C    sing N N 289 
SER CA  CB   sing N N 290 
SER CA  HA   sing N N 291 
SER C   O    doub N N 292 
SER C   OXT  sing N N 293 
SER CB  OG   sing N N 294 
SER CB  HB2  sing N N 295 
SER CB  HB3  sing N N 296 
SER OG  HG   sing N N 297 
SER OXT HXT  sing N N 298 
SO4 S   O1   doub N N 299 
SO4 S   O2   doub N N 300 
SO4 S   O3   sing N N 301 
SO4 S   O4   sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
UXD O   C    doub N N 371 
UXD C1  C2   sing N N 372 
UXD C1  N    sing N N 373 
UXD C   N    sing N N 374 
UXD C   C5   sing N N 375 
UXD C7  C5   sing Y N 376 
UXD C7  N2   doub Y N 377 
UXD C2  C3   sing N N 378 
UXD N   C4   sing N N 379 
UXD C5  C6   doub Y N 380 
UXD N2  N1   sing Y N 381 
UXD C3  C4   sing N N 382 
UXD C6  N1   sing Y N 383 
UXD N1  H1   sing N N 384 
UXD C4  H2   sing N N 385 
UXD C4  H3   sing N N 386 
UXD C6  H4   sing N N 387 
UXD C7  H5   sing N N 388 
UXD C1  H6   sing N N 389 
UXD C1  H7   sing N N 390 
UXD C2  H8   sing N N 391 
UXD C2  H9   sing N N 392 
UXD C3  H10  sing N N 393 
UXD C3  H11  sing N N 394 
VAL N   CA   sing N N 395 
VAL N   H    sing N N 396 
VAL N   H2   sing N N 397 
VAL CA  C    sing N N 398 
VAL CA  CB   sing N N 399 
VAL CA  HA   sing N N 400 
VAL C   O    doub N N 401 
VAL C   OXT  sing N N 402 
VAL CB  CG1  sing N N 403 
VAL CB  CG2  sing N N 404 
VAL CB  HB   sing N N 405 
VAL CG1 HG11 sing N N 406 
VAL CG1 HG12 sing N N 407 
VAL CG1 HG13 sing N N 408 
VAL CG2 HG21 sing N N 409 
VAL CG2 HG22 sing N N 410 
VAL CG2 HG23 sing N N 411 
VAL OXT HXT  sing N N 412 
# 
_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                    7HO5 
_atom_sites.fract_transf_matrix[1][1]   0.010483 
_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]   0.010483 
_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]   0.021875 
_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   ? -13.360 -12.635 -9.878  1.00 56.32 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.831 -13.339 -11.104 1.00 51.97 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.685 -12.523 -11.716 1.00 50.98 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.530 -11.328 -11.350 1.00 54.55 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.963 -13.603 -12.120 1.00 45.13 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.517 -12.371 -12.760 1.00 40.50 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.944 -11.806 -13.883 1.00 41.12 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.583 -11.598 -12.456 1.00 38.08 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.621 -10.724 -14.231 1.00 39.07 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.633 -10.564 -13.367 1.00 32.25 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.943 -13.133 -12.642 1.00 45.93 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.791  -12.523 -13.359 1.00 45.79 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -9.981  -12.643 -14.882 1.00 38.67 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -8.966  -12.811 -15.588 1.00 40.68 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.492  -13.141 -12.802 1.00 54.22 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.347  -12.926 -11.326 1.00 63.94 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.010  -11.691 -10.782 1.00 66.91 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.534  -13.757 -10.275 1.00 68.48 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.980  -11.781 -9.465  1.00 68.66 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.293  -13.040 -9.129  1.00 69.34 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.227 -12.496 -15.377 1.00 32.55 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.628 -12.678 -16.806 1.00 26.84 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.617 -11.341 -17.552 1.00 27.77 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.751 -11.355 -18.789 1.00 24.28 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.032 -13.301 -16.935 1.00 27.20 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.167 -14.650 -16.321 1.00 27.42 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.276 -15.680 -16.587 1.00 26.57 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.105 -15.162 -15.497 1.00 26.91 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.650 -16.760 -15.926 1.00 30.91 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.770 -16.468 -15.262 1.00 31.16 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.409 -10.225 -16.848 1.00 28.79 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.536 -8.849  -17.397 1.00 30.64 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.656 -8.646  -18.639 1.00 29.28 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.130 -7.952  -19.555 1.00 30.36 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.244 -7.787  -16.316 1.00 36.41 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.094 -7.930  -15.098 1.00 43.18 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.705 -8.703  -14.005 1.00 50.27 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.315 -7.427  -14.794 1.00 45.72 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.651 -8.663  -13.078 1.00 49.71 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.654 -7.887  -13.540 1.00 47.66 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.466  -9.266  -18.719 1.00 28.13 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.507  -9.120  -19.850 1.00 28.12 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.025  -9.736  -21.161 1.00 26.47 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.408  -9.481  -22.206 1.00 27.99 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.125  -9.698  -19.491 1.00 33.31 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.128  -11.130 -19.077 1.00 32.33 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.536  -12.127 -19.848 1.00 38.84 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.586  -11.740 -17.962 1.00 34.61 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.658  -13.285 -19.236 1.00 32.46 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.307  -13.083 -18.080 1.00 38.24 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.084 -10.564 -21.140 1.00 21.59 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.741 -11.117 -22.361 1.00 18.32 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.837 -10.178 -22.849 1.00 16.24 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.648 -10.639 -23.646 1.00 15.15 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.294 -12.502 -22.066 1.00 18.31 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.224 -13.463 -21.656 1.00 19.23 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.196  -13.801 -22.520 1.00 19.49 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.054 -14.155 -20.516 1.00 20.29 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.403  -14.650 -21.897 1.00 20.20 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.899  -14.905 -20.680 1.00 21.51 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.895 -8.959  -22.329 1.00 17.02 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.948 -7.970  -22.667 1.00 18.83 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.033 -7.810  -24.180 1.00 18.45 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -11.985 -7.646  -24.869 1.00 21.56 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.614 -6.610  -22.045 1.00 23.19 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.657 -5.511  -22.250 1.00 29.60 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.211 -5.769  -21.305 1.00 40.65 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.780 -5.042  -19.729 1.00 36.31 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.244 -7.799  -24.709 1.00 15.99 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.543 -7.579  -26.148 1.00 16.79 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.533 -6.405  -26.225 1.00 17.15 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.393 -6.257  -25.338 1.00 17.47 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.066 -8.829  -26.877 1.00 18.08 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -13.982 -9.876  -27.032 1.00 21.76 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.265 -9.461  -26.205 1.00 19.33 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.450 -5.631  -27.300 1.00 17.68 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.332 -4.468  -27.545 1.00 17.53 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.553 -4.950  -28.320 1.00 17.77 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.446 -5.296  -29.476 1.00 21.44 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.573 -3.386  -28.313 1.00 18.78 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.337 -2.115  -28.474 1.00 22.80 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.434 -1.182  -27.472 1.00 25.84 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.067 -1.656  -29.510 1.00 25.58 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.171 -0.167  -27.895 1.00 24.44 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.571 -0.439  -29.149 1.00 29.14 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.671 -5.098  -27.630 1.00 14.76 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.913 -5.586  -28.267 1.00 14.46 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.729 -4.385  -28.778 1.00 14.24 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.778 -3.371  -28.103 1.00 14.21 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.717 -6.408  -27.239 1.00 14.02 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.919 -7.624  -26.743 1.00 15.41 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.069 -6.811  -27.814 1.00 14.13 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.356 -8.532  -27.827 1.00 15.17 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.328 -4.568  -29.928 1.00 13.42 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.304 -3.588  -30.473 1.00 14.87 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.563 -4.349  -30.848 1.00 15.09 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.515 -5.576  -31.122 1.00 15.50 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.727 -2.808  -31.659 1.00 16.71 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.385 -3.689  -32.710 1.00 18.27 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.548 -1.935  -31.271 1.00 18.67 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.699 -3.642  -30.816 1.00 13.23 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -25.997 -4.285  -31.112 1.00 13.11 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.281 -4.277  -32.605 1.00 13.29 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -25.960 -3.262  -33.270 1.00 14.79 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.064 -3.538  -30.333 1.00 13.40 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.890 -3.617  -28.829 1.00 12.92 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.887 -2.713  -28.107 1.00 15.00 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -26.986 -5.065  -28.339 1.00 14.47 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.867 -5.322  -33.113 1.00 12.03 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.254 -5.495  -34.528 1.00 12.69 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.744 -5.103  -34.705 1.00 13.80 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.617 -5.895  -34.419 1.00 12.75 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -26.977 -6.925  -35.006 1.00 13.07 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.268 -7.208  -36.470 1.00 17.09 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.917 -6.334  -37.097 1.00 17.03 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -26.962 -8.337  -36.978 1.00 17.92 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -28.961 -3.879  -35.211 0.25 14.49 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -28.984 -3.885  -35.206 0.25 14.99 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.289 -3.259  -35.486 0.25 15.45 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.344 -3.306  -35.409 0.25 16.16 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.196 -4.210  -36.262 0.25 14.94 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.217 -4.228  -36.260 0.25 15.42 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.420 -4.206  -36.003 0.25 14.50 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.448 -4.241  -36.040 0.25 14.83 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.116 -1.986  -36.329 0.25 16.67 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.252 -1.937  -36.095 0.25 18.48 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.232 -0.930  -35.684 0.25 18.61 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.901 -0.797  -35.153 0.25 20.98 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.157 0.344   -36.513 0.25 19.49 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.477 -0.298  -35.328 0.25 24.05 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.650 1.424   -35.688 0.25 20.48 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.289 0.632   -36.445 0.25 26.27 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.362 2.015   -34.749 0.25 20.21 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.773 0.316   -37.634 0.25 29.58 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.614 1.649   -34.565 0.25 22.07 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.398 -0.920  -37.905 0.25 31.84 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.831 2.971   -34.014 0.25 21.15 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.645 1.246   -38.562 0.25 31.35 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.634 -4.948  -37.222 1.00 14.63 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.418 -5.795  -38.125 1.00 15.92 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.102 -6.937  -37.390 1.00 13.74 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.098 -7.446  -37.887 1.00 13.79 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.565 -6.280  -39.300 1.00 18.90 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.335 -5.170  -40.302 1.00 25.70 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.110 -4.219  -40.374 1.00 31.89 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.243 -5.268  -41.036 1.00 36.34 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.576 -7.352  -36.218 1.00 12.13 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.103 -8.474  -35.434 1.00 11.75 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.148 -7.995  -34.419 1.00 10.90 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.831 -8.834  -33.832 1.00 11.43 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.002 -9.247  -34.695 1.00 12.20 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.439 -8.446  -33.651 1.00 12.51 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -29.968 -9.799  -35.667 1.00 13.11 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.218 -6.699  -34.202 1.00 10.54 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.032 -6.134  -33.093 1.00 10.94 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.517 -6.348  -33.350 1.00 11.56 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.017 -6.071  -34.477 1.00 12.71 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.753 -4.681  -32.927 1.00 11.55 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.269 -6.657  -32.332 1.00 11.42 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.725 -6.454  -32.369 1.00 11.04 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.007 -5.018  -32.823 1.00 10.17 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.306 -4.064  -32.470 1.00 10.52 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.273 -6.772  -30.992 1.00 11.88 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.749 -6.518  -30.903 1.00 13.06 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.206 -5.405  -30.663 1.00 13.50 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.497 -7.559  -31.111 1.00 16.39 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.097 -4.874  -33.581 1.00 10.30 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.465 -3.595  -34.231 1.00 10.99 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.840 -2.514  -33.223 1.00 10.90 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -39.944 -1.353  -33.685 1.00 11.98 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.602 -3.811  -35.206 1.00 12.36 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.723 -4.282  -34.495 1.00 14.85 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.047 -2.790  -31.943 1.00 9.83  ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.342 -1.745  -30.947 1.00 10.60 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.082 -1.240  -30.247 1.00 11.32 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.199 -0.332  -29.420 1.00 11.27 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.337 -2.266  -29.933 1.00 11.76 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.736 -2.388  -30.475 1.00 12.20 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.139 -2.908  -31.672 1.00 11.91 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.913 -1.964  -29.799 1.00 13.49 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.508 -2.815  -31.789 1.00 14.38 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -44.993 -2.288  -30.644 1.00 13.32 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.154 -1.339  -28.577 1.00 15.48 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.320 -1.993  -30.275 1.00 15.94 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.467 -1.084  -28.208 1.00 17.92 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.523 -1.440  -29.034 1.00 18.75 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.908 -1.841  -30.538 1.00 10.75 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.700 -1.436  -29.792 1.00 11.15 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.094 -0.166  -30.409 1.00 11.31 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.101 0.025   -31.628 1.00 11.81 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.673 -2.572  -29.795 1.00 10.21 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.114 -3.829  -29.064 1.00 11.21 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.005 -4.874  -29.064 1.00 11.52 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.539 -3.571  -27.658 1.00 12.40 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.455 0.585   -29.549 1.00 11.00 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.684 1.803   -29.906 1.00 12.40 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.240 1.587   -29.469 1.00 12.53 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -32.973 1.465   -28.257 1.00 12.64 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.249 3.046   -29.266 1.00 12.98 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.715 3.297   -29.684 1.00 13.60 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.385 4.281   -29.594 1.00 14.74 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.380 4.370   -28.926 1.00 15.51 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.376 1.502   -30.461 1.00 14.72 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.917 1.304   -30.240 1.00 14.73 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.207 2.632   -30.411 1.00 16.29 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.492 3.389   -31.402 1.00 16.59 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.403 0.240   -31.182 1.00 15.68 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -30.981 -1.115  -30.807 1.00 18.46 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.876 0.178   -31.169 1.00 16.53 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.763 -2.123  -31.766 1.00 19.65 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.325 2.986   -29.503 1.00 15.63 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.627 4.277   -29.555 1.00 15.86 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.718 4.359   -30.798 1.00 14.40 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.340 3.363   -31.370 1.00 14.73 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.892 4.469   -28.283 1.00 16.89 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.930 3.422   -28.113 1.00 16.33 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.331 5.602   -31.144 1.00 17.46 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.413 5.860   -32.282 1.00 17.95 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.137 5.015   -32.166 1.00 16.19 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.681 4.519   -33.195 1.00 18.11 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.043 7.349   -32.331 1.00 19.95 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.132 7.699   -33.482 1.00 22.46 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.280 9.150   -33.844 1.00 23.67 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.003 10.014  -32.645 1.00 28.55 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.363 11.405  -32.936 1.00 31.01 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.551 4.948   -30.969 1.00 16.52 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.288 4.182   -30.755 1.00 15.86 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.536 2.660   -30.743 1.00 14.83 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.531 1.923   -30.650 1.00 15.31 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.529 4.672   -29.522 1.00 17.83 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.199 4.425   -28.184 1.00 17.75 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.302 3.784   -28.179 1.00 18.22 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.582 4.815   -27.172 1.00 20.57 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.766 2.178   -30.865 1.00 13.85 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.127 0.748   -30.865 1.00 14.04 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.695 0.090   -29.546 1.00 11.73 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.529 -1.154  -29.557 1.00 12.83 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.590 0.058   -32.118 1.00 17.80 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.227 0.639   -33.377 1.00 22.25 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.868 -0.030  -34.664 1.00 28.38 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.446 -0.239  -34.848 1.00 34.48 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.782 -1.414  -34.777 1.00 45.35 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.384 -2.580  -34.514 1.00 37.91 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.473 -1.406  -34.993 1.00 51.15 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.648 0.824   -28.473 1.00 11.25 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.266 0.284   -27.146 1.00 12.31 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.401 0.281   -26.136 1.00 12.60 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.234 -0.306  -25.054 1.00 13.75 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.086 1.056   -26.552 1.00 13.34 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.842 1.001   -27.423 1.00 15.33 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -20.994 -0.216  -27.187 1.00 16.04 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.226 -0.052  -25.961 1.00 17.61 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.505 -1.007  -25.361 1.00 16.75 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.423 -2.184  -25.915 1.00 17.37 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.847 -0.729  -24.257 1.00 18.15 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.549 0.882   -26.440 1.00 11.71 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.715 0.902   -25.548 1.00 12.19 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -28.978 0.517   -26.304 1.00 11.87 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.096 0.786   -27.509 1.00 12.56 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.927 2.302   -24.960 1.00 14.65 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.668 2.916   -24.385 1.00 17.63 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -26.998 4.155   -23.584 1.00 21.55 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.153 4.408   -23.222 1.00 24.55 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -25.989 4.966   -23.350 1.00 25.57 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.912 -0.086  -25.594 1.00 11.05 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.213 -0.476  -26.191 1.00 10.82 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.301 -0.321  -25.138 1.00 11.14 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.115 -0.697  -23.980 1.00 10.74 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.153 -1.872  -26.808 1.00 10.41 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.723 -2.937  -25.788 1.00 10.76 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.467 -2.268  -27.464 1.00 11.12 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.442 0.200   -25.560 1.00 10.93 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.629 0.249   -24.689 1.00 11.55 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.892 -0.053  -25.518 1.00 11.18 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.897 0.037   -26.741 1.00 10.71 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.752 1.614   -24.015 1.00 12.71 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.031 2.750   -24.980 1.00 14.44 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.989 4.071   -24.208 1.00 17.14 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.256 5.202   -25.078 1.00 22.32 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.450 5.674   -25.371 1.00 19.10 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.558 5.139   -24.902 1.00 22.26 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.517 6.733   -26.185 1.00 24.16 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.945 -0.351  -24.761 0.25 10.81 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -36.965 -0.461  -24.843 0.25 11.99 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.315 -0.589  -25.278 0.25 11.72 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.236 -0.740  -25.567 0.25 13.14 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.943 0.763   -25.647 0.25 11.54 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.043 0.556   -25.649 0.25 12.44 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.938 1.689   -24.824 0.25 12.36 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.364 1.131   -24.572 0.25 11.82 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.137 -1.318  -24.208 0.25 11.73 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.100 -1.831  -24.926 0.25 15.48 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.498 -1.827  -24.692 0.25 13.09 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.401 -2.095  -25.734 0.25 16.82 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.371 -2.897  -26.187 0.25 15.53 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.263 -3.556  -25.119 0.25 19.51 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -41.917 -3.794  -26.163 0.25 14.46 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.645 -3.576  -26.258 0.25 19.69 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.344 0.925   -26.897 1.00 12.13 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.174 2.089   -27.254 1.00 13.94 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.624 1.863   -26.889 1.00 14.49 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.036 0.769   -26.459 1.00 15.09 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.402 2.963   -26.927 1.00 18.43 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.847 2.880   -26.535 1.00 20.50 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.685 2.524   -27.782 1.00 19.77 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.924 2.347   -27.628 1.00 20.83 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.318 4.132   -25.756 1.00 24.65 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.833 4.272   -24.298 1.00 32.43 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.581 3.232   -23.630 1.00 37.14 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.756 5.427   -23.796 1.00 34.78 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.075 2.280   -28.932 1.00 15.52 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.772 1.956   -30.210 1.00 16.10 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.818 1.281   -31.200 1.00 13.51 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.534 1.260   -30.993 1.00 13.01 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.346 3.274   -30.723 1.00 17.97 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.223 2.991   -31.782 1.00 19.65 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.259 4.217   -31.188 1.00 19.34 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.312 0.800   -32.337 1.00 13.64 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.481 0.334   -33.473 1.00 12.88 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.535 1.439   -33.918 1.00 14.09 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.006 2.586   -34.119 1.00 14.29 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.414 -0.175  -34.569 1.00 12.38 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.810 -0.832  -35.743 1.00 12.37 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.029 -0.174  -36.673 1.00 12.53 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.925 -2.112  -36.199 1.00 11.86 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.688 -0.994  -37.633 1.00 12.56 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.229 -2.249  -37.357 1.00 12.56 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.271 1.123   -34.170 1.00 12.26 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.239 2.142   -34.436 1.00 12.06 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.071 2.402   -35.933 1.00 13.22 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.038 2.993   -36.333 1.00 14.88 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.927 1.749   -33.735 1.00 11.76 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.081 1.809   -32.246 1.00 11.96 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.548 3.138   -31.717 1.00 12.70 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.486 3.268   -30.928 1.00 16.70 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.920 4.203   -32.170 1.00 11.85 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.028 1.999   -36.760 1.00 12.81 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.101 2.463   -38.177 1.00 12.42 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.001 1.873   -39.024 1.00 13.34 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.576 2.465   -40.004 1.00 15.02 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.152 4.001   -38.312 1.00 12.86 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.816 4.427   -39.610 1.00 12.39 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.684 3.737   -40.156 1.00 11.97 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.358 5.553   -40.178 1.00 12.42 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.640 0.630   -38.745 1.00 14.73 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.669 -0.188  -39.530 1.00 15.74 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.416 -1.237  -40.379 1.00 14.78 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.479 -1.671  -39.973 1.00 15.05 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.636 -0.872  -38.602 1.00 16.56 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.711 0.144   -37.944 1.00 19.84 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.272 -1.774  -37.561 1.00 17.42 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.862 -1.675  -41.503 1.00 16.60 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.404 -2.807  -42.271 1.00 17.44 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.202 -4.118  -41.519 1.00 15.58 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.240 -4.237  -40.713 1.00 15.76 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.767 -2.878  -43.645 1.00 20.14 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.361 -2.978  -43.530 1.00 22.79 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.026 -5.106  -41.772 1.00 16.69 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.858 -6.452  -41.198 1.00 16.60 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.789 -7.185  -41.995 1.00 18.03 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.534 -6.850  -43.166 1.00 18.15 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.190 -7.181  -41.148 1.00 17.99 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.078 -8.442  -40.333 1.00 22.80 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.356 -8.432  -39.248 1.00 17.38 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -41.542 -9.472  -40.886 1.00 28.57 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.171 -8.188  -41.367 1.00 16.17 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.174 -9.056  -42.033 1.00 17.01 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.117 -10.357 -41.239 1.00 17.09 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.717 -10.466 -40.138 1.00 17.64 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.826 -8.380  -42.198 1.00 16.59 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.094 -8.185  -40.881 1.00 16.19 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -34.935 -9.150  -40.123 1.00 18.49 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.661 -7.011  -40.562 1.00 15.78 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.499 -11.370 -41.808 1.00 17.59 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.521 -12.730 -41.228 1.00 18.68 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.621 -12.799 -39.972 1.00 16.91 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.818 -13.763 -39.207 1.00 18.20 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.017 -13.756 -42.259 1.00 22.28 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.580 -13.534 -42.674 1.00 27.56 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.144 -14.302 -43.907 1.00 37.01 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.636 -14.298 -44.035 1.00 40.78 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.181 -15.320 -45.006 1.00 48.03 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.719 -11.853 -39.780 1.00 16.10 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.817 -11.845 -38.583 1.00 16.23 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.536 -11.318 -37.324 1.00 15.19 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.097 -11.664 -36.189 1.00 16.16 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.589 -10.997 -38.832 1.00 18.77 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.710 -11.446 -40.005 1.00 22.75 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.550 -10.475 -40.178 1.00 27.62 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.546 -9.717  -41.179 1.00 33.41 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.671 -10.410 -39.301 1.00 30.36 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.568 -10.479 -37.428 1.00 13.51 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.098 -9.791  -36.229 1.00 13.05 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.812 -10.742 -35.303 1.00 13.03 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.667 -11.558 -35.697 1.00 13.21 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.101 -8.701  -36.619 1.00 12.00 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.526 -7.568  -37.443 1.00 13.36 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.444 -6.316  -37.392 1.00 12.86 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -36.930 -5.287  -38.274 1.00 14.50 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.840 -4.565  -38.055 1.00 13.85 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.226 -4.602  -36.875 1.00 12.97 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.362 -3.749  -39.002 1.00 16.03 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.524 -10.655 -34.012 1.00 11.46 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.336 -11.351 -33.009 1.00 11.48 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.752 -10.748 -33.021 1.00 13.17 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.921 -9.561  -32.768 1.00 13.52 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.734 -11.255 -31.614 1.00 10.55 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.504 -12.118 -31.464 1.00 10.36 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.614 -13.481 -31.213 1.00 10.73 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.229 -11.566 -31.534 1.00 10.95 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.481 -14.275 -31.077 1.00 11.36 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.089 -12.371 -31.367 1.00 11.04 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.248 -13.727 -31.148 1.00 10.30 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.775 -11.542 -33.280 1.00 13.60 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.151 -11.004 -33.496 1.00 14.42 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -41.912 -10.899 -32.187 1.00 15.08 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.716 -9.932  -32.054 1.00 17.10 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.902 -11.866 -34.502 1.00 15.49 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.053 -13.195 -34.054 1.00 15.05 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.767 -11.809 -31.245 1.00 13.25 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.721 -11.962 -30.128 1.00 14.29 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.237 -11.310 -28.836 1.00 13.59 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.035 -11.113 -27.919 1.00 14.87 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.033 -13.422 -29.829 1.00 16.23 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -43.944 -14.087 -30.861 1.00 17.79 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.772 -13.934 -32.070 1.00 21.52 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.954 -14.769 -30.353 1.00 23.71 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -40.938 -10.994 -28.745 1.00 12.03 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.331 -10.521 -27.479 1.00 11.15 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.363 -9.388  -27.780 1.00 10.49 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.840 -9.294  -28.878 1.00 10.89 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.544 -11.669 -26.831 1.00 11.89 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.258 -12.995 -26.746 1.00 13.11 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.272 -13.178 -25.815 1.00 14.80 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.964 -14.064 -27.582 1.00 13.92 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.934 -14.398 -25.690 1.00 16.15 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.653 -15.263 -27.516 1.00 14.36 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.619 -15.441 -26.543 1.00 15.11 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.255 -16.654 -26.474 1.00 16.57 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.059 -8.527  -26.790 1.00 10.51 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.202 -7.360  -27.009 1.00 10.49 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.685 -7.670  -26.982 1.00 9.48  ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.924 -7.160  -26.195 1.00 10.16 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.600 -6.375  -25.871 1.00 11.93 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.805 -6.996  -25.208 1.00 13.11 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.710 -8.456  -25.478 1.00 11.32 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.296 -8.548  -27.930 1.00 9.51  ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -34.958 -9.170  -28.010 1.00 8.67  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.171 -8.571  -29.156 1.00 9.63  ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.676 -8.080  -30.194 1.00 10.05 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.085 -10.673 -28.189 1.00 9.38  ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.637 -11.372 -26.995 1.00 9.59  ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.136 -13.068 -27.416 1.00 10.89 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.743 -13.709 -25.863 1.00 12.13 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.845 -8.629  -28.994 1.00 9.03  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.857 -8.160  -30.000 1.00 9.50  ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.553 -8.950  -29.798 1.00 9.57  ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.256 -9.353  -28.647 1.00 10.03 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.651 -6.636  -29.950 1.00 10.10 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.128 -6.183  -28.610 1.00 10.43 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.778 -6.121  -31.104 1.00 10.47 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.783 -9.123  -30.863 1.00 9.60  ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.464 -9.791  -30.782 1.00 9.87  ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.339 -8.788  -30.895 1.00 10.35 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.452 -7.710  -31.586 1.00 11.41 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.298 -10.816 -31.899 1.00 10.74 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.360 -11.887 -31.913 1.00 10.87 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.087 -12.969 -32.963 1.00 13.07 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.540 -12.548 -30.565 1.00 10.95 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.184 -9.109  -30.322 1.00 10.32 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.908 -8.445  -30.692 1.00 11.06 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.513 -8.752  -32.134 1.00 10.97 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.846 -9.802  -32.638 1.00 11.49 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.755 -7.854  -32.753 1.00 11.86 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.272 -8.038  -34.140 1.00 13.81 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.153 -9.082  -34.178 1.00 14.71 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.004 -9.779  -35.202 1.00 18.15 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.801 -6.723  -34.657 1.00 15.35 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.419 -9.200  -33.090 1.00 13.80 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.211 -10.070 -33.066 1.00 14.29 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.635 -11.543 -33.056 1.00 15.11 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.666 -11.929 -32.425 1.00 15.42 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.350 -9.707  -31.848 1.00 16.32 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.667 -8.352  -31.937 1.00 18.08 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.609 -7.171  -31.803 1.00 17.98 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.567 -7.246  -31.043 1.00 16.59 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.363 -6.072  -32.490 1.00 20.29 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.896 -12.387 -33.764 1.00 15.17 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.029 -13.854 -33.771 1.00 14.99 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.757 -14.472 -33.207 1.00 13.50 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.643 -14.024 -33.554 1.00 16.42 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.189 -14.413 -35.201 1.00 19.45 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.561 -14.242 -35.857 1.00 27.03 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.064 -12.814 -35.747 1.00 29.30 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -22.937 -12.087 -36.683 1.00 33.49 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.641 -12.567 -37.705 1.00 32.64 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.375 -11.728 -38.421 1.00 36.89 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.620 -13.842 -38.028 1.00 32.78 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.915 -15.421 -32.327 1.00 12.44 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.755 -16.088 -31.679 1.00 13.15 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.819 -17.585 -31.944 1.00 12.49 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.847 -18.230 -31.715 1.00 12.44 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.812 -15.847 -30.151 1.00 14.95 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.841 -14.376 -29.760 1.00 16.70 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.837 -13.544 -30.236 1.00 19.16 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.832 -13.813 -28.993 1.00 24.19 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.786 -12.191 -29.932 1.00 21.90 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.765 -12.456 -28.648 1.00 19.13 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.790 -11.655 -29.178 1.00 20.57 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.707 -18.162 -32.425 0.25 12.87 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.701 -18.165 -32.405 0.25 12.76 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.601 -19.615 -32.727 0.25 13.21 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.569 -19.620 -32.688 0.25 13.01 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.381 -20.250 -32.035 0.25 13.22 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.296 -20.190 -32.068 0.25 13.37 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.233 -21.489 -32.131 0.25 12.76 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.886 -21.284 -32.469 0.25 12.23 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.630 -19.859 -34.227 0.25 13.86 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.547 -19.873 -34.154 0.25 13.32 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -17.968 -19.710 -34.743 0.25 15.03 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.488 -19.141 -34.720 0.25 14.05 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.600 -19.461 -31.287 0.25 12.66 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.680 -19.470 -31.143 0.25 13.75 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.413 -19.937 -30.526 0.25 13.19 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.411 -19.904 -30.522 0.25 15.09 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.095 -18.961 -29.391 0.25 13.77 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -12.999 -18.895 -29.457 0.25 14.87 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.707 -17.901 -29.360 0.25 13.69 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.427 -17.728 -29.570 0.25 14.60 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.210 -20.082 -31.445 0.25 13.21 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.347 -20.038 -31.590 0.25 16.44 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.785 -18.816 -31.923 0.25 13.27 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.170 -20.602 -31.047 0.25 19.61 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.159 -19.320 -28.513 1.00 15.11 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.557 -18.374 -27.567 1.00 16.37 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.412 -18.072 -26.351 1.00 13.24 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.421 -18.733 -26.077 1.00 14.46 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.902 -17.097 -25.634 1.00 12.86 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.479 -16.589 -24.380 1.00 13.53 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.909 -15.148 -24.625 1.00 13.52 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.116 -14.334 -25.130 1.00 14.91 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.449 -16.718 -23.261 1.00 15.19 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.057 -18.150 -22.915 1.00 15.40 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.909  -18.213 -21.870 1.00 18.11 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.576  -19.625 -21.438 1.00 20.32 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.541  -19.634 -20.366 1.00 22.30 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.118 -14.810 -24.201 1.00 12.25 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.731 -13.486 -24.418 1.00 12.14 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.396 -13.026 -23.124 1.00 11.54 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -15.969 -13.860 -22.412 1.00 12.48 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.842 -13.576 -25.448 1.00 12.48 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.407 -13.733 -26.885 1.00 13.08 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.663 -15.304 -27.409 1.00 15.42 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.904 -16.502 -26.996 1.00 15.63 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.365 -11.742 -22.835 1.00 11.80 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -15.970 -11.171 -21.601 1.00 11.86 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.589 -9.832  -21.970 1.00 12.14 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.963 -9.009  -22.688 1.00 12.79 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.908 -10.981 -20.514 1.00 13.08 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.426 -10.380 -19.240 1.00 12.93 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.151 -11.141 -18.343 1.00 12.32 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.247 -9.026  -18.961 1.00 12.82 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.665 -10.589 -17.165 1.00 13.09 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.765 -8.465  -17.801 1.00 12.58 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.471 -9.232  -16.903 1.00 12.81 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.003 -8.692  -15.762 1.00 14.51 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.784 -9.566  -21.468 1.00 10.76 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.375 -8.204  -21.562 1.00 11.17 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.275 -7.962  -20.347 1.00 11.23 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.615 -8.886  -19.612 1.00 11.82 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.112 -8.014  -22.914 1.00 11.04 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.284 -8.895  -23.171 1.00 10.48 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.605 -8.590  -22.977 1.00 10.56 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.291 -10.208 -23.725 1.00 11.26 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.411 -9.630  -23.351 1.00 10.74 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.627 -10.645 -23.816 1.00 11.40 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.269 -11.078 -24.125 1.00 12.80 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -21.968 -11.886 -24.322 1.00 11.69 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.601 -12.303 -24.661 1.00 14.77 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.931 -12.720 -24.724 1.00 13.31 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.661 -6.698  -20.190 1.00 10.77 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.515 -6.261  -19.062 1.00 10.59 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.727 -5.458  -19.524 1.00 10.15 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.637 -4.742  -20.508 1.00 10.91 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.729 -5.412  -18.065 1.00 12.40 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.643 -6.223  -17.365 1.00 14.66 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.789 -5.459  -16.375 1.00 17.46 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -17.953 -4.200  -16.279 1.00 21.97 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.944 -6.129  -15.668 1.00 16.21 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.827 -5.654  -18.824 1.00 10.45 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.111 -5.012  -19.162 1.00 10.52 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.657 -4.345  -17.920 1.00 9.90  ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.787 -4.978  -16.864 1.00 11.26 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.111 -6.030  -19.719 1.00 10.27 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.367 -5.309  -20.162 1.00 11.69 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.500 -6.886  -20.818 1.00 10.90 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.104 -3.094  -18.092 1.00 10.53 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.784 -2.308  -17.038 1.00 11.65 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.272 -2.589  -17.078 1.00 10.07 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.902 -2.465  -18.176 1.00 11.02 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.518 -0.801  -17.209 1.00 13.11 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.894 0.003   -15.966 1.00 15.77 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.017 0.000   -15.610 1.00 15.13 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -24.985 0.423   -15.213 1.00 20.46 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.841 -2.999  -15.945 1.00 10.35 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.292 -3.338  -15.796 1.00 11.32 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -29.984 -2.429  -14.750 1.00 12.14 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.042 -2.780  -14.236 1.00 12.52 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.441 -4.849  -15.449 1.00 11.25 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.883 -5.791  -16.546 1.00 10.88 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.815 -5.224  -14.119 1.00 11.85 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.343 -1.325  -14.380 1.00 12.24 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.851 -0.391  -13.348 1.00 13.83 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.343 -0.086  -13.568 1.00 13.21 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.763 0.257   -14.684 1.00 13.45 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.046 0.910   -13.388 1.00 14.26 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.669 0.661   -13.084 1.00 17.08 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.598 1.923   -12.404 1.00 17.86 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.073 -0.195  -12.472 1.00 15.66 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.509 0.111   -12.253 1.00 18.12 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.449 -0.691  -13.144 1.00 18.43 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.658 -0.387  -13.148 1.00 23.37 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.767 1.612   -12.342 1.00 25.51 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.513 2.241   -13.697 1.00 30.92 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.526 3.317   -14.023 1.00 34.78 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.197 4.344   -14.618 1.00 39.46 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.790 3.035   -13.734 1.00 39.68 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.018 -1.754  -13.803 1.00 13.21 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.962 -2.616  -14.526 1.00 11.41 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.640 -3.627  -13.615 1.00 10.97 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.015 -4.160  -12.649 1.00 12.72 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.240 -3.299  -15.682 1.00 11.55 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.804 -2.308  -16.788 1.00 11.74 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.294 -2.926  -18.057 1.00 12.40 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.364 -3.670  -18.825 1.00 11.18 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.569 -2.847  -19.156 1.00 9.98  ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.876 -3.934  -13.938 1.00 10.08 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.680 -4.950  -13.251 1.00 10.01 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.614 -6.309  -13.944 1.00 9.77  ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -37.988 -7.316  -13.371 1.00 10.83 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.165 -4.548  -13.211 1.00 11.01 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.465 -3.285  -12.444 1.00 12.57 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.930 -2.863  -12.560 1.00 12.36 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.316 -2.026  -11.733 1.00 15.37 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.648 -3.380  -13.427 1.00 13.90 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.270 -6.377  -15.234 1.00 9.48  ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.268 -7.623  -16.003 1.00 9.28  ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.298 -7.472  -17.168 1.00 10.23 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.245 -6.414  -17.832 1.00 10.03 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.641 -7.927  -16.529 1.00 10.40 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.569 -8.564  -17.447 1.00 9.38  ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.575 -8.642  -18.559 1.00 9.11  ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.078 -10.062 -18.656 1.00 9.47  ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.171 -10.811 -17.674 1.00 9.92  ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.411 -7.662  -18.352 1.00 9.65  ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.754 -7.699  -17.014 1.00 9.78  ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.941 -6.843  -15.979 1.00 10.56 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.774 -8.630  -16.487 1.00 9.82  ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.181 -7.126  -14.898 1.00 10.45 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.466 -8.267  -15.166 1.00 10.49 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.130 -9.788  -17.011 1.00 10.52 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.531 -8.922  -14.371 1.00 10.47 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.235 -10.477 -16.209 1.00 11.04 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -29.937 -10.034 -14.911 1.00 11.03 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.558 -10.394 -19.819 1.00 9.33  ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.781 -11.645 -20.027 1.00 9.66  ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.417 -11.260 -20.599 1.00 9.30  ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.375 -10.360 -21.463 1.00 9.28  ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.428 -12.627 -20.993 1.00 11.00 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.915 -12.846 -20.861 1.00 12.45 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.360 -12.864 -19.733 1.00 14.90 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.599 -13.028 -21.894 1.00 14.25 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.348 -11.968 -20.236 1.00 8.31  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -28.991 -11.726 -20.760 1.00 8.74  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.271 -13.047 -20.946 1.00 8.36  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.409 -13.956 -20.130 1.00 8.52  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.171 -10.874 -19.795 1.00 9.40  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.511 -9.391  -19.684 1.00 10.54 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.665 -8.762  -18.568 1.00 11.57 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.307 -8.702  -21.001 1.00 10.80 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.429 -13.080 -21.972 1.00 7.54  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.471 -14.196 -22.104 1.00 8.34  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.933 -14.265 -23.529 1.00 7.92  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.536 -13.243 -24.110 1.00 8.18  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.865 -15.493 -24.045 0.23 8.33  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.924 -15.468 -24.080 0.20 8.71  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.462 -15.789 -25.450 0.23 8.41  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.344 -15.734 -25.423 0.20 8.98  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.461 -16.755 -26.063 0.23 8.64  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.238 -16.817 -26.053 0.20 9.11  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.198 -17.468 -25.358 0.23 8.91  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.793 -17.619 -25.293 0.20 9.48  ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.058 -16.405 -25.574 0.23 8.60  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.854 -16.116 -25.259 0.20 9.74  ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.029 -15.377 -25.179 0.23 8.49  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.679 -17.483 -24.607 0.20 9.73  ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.894 -17.682 -24.758 0.23 8.55  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.083 -16.013 -26.563 0.20 10.23 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.419 -16.817 -27.382 1.00 8.96  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.239 -17.806 -28.070 1.00 9.94  ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.573 -18.217 -29.374 1.00 9.71  ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.690 -17.505 -29.892 1.00 9.77  ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.643 -17.271 -28.350 1.00 11.09 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.731 -15.857 -29.476 1.00 10.97 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.020 -19.334 -29.910 0.23 9.79  ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -26.982 -19.366 -29.902 0.20 9.67  ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.598 -19.736 -31.269 0.23 10.48 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.548 -19.839 -31.248 0.20 10.22 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.021 -18.686 -32.292 0.23 10.34 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.062 -18.862 -32.325 0.20 10.40 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.077 -18.063 -32.186 0.23 9.83  ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.249 -18.444 -32.250 0.20 10.24 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.241 -21.061 -31.650 0.23 11.34 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.065 -21.266 -31.483 0.20 10.76 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.797 -22.169 -30.720 0.23 11.81 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.378 -22.013 -32.617 0.20 10.70 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.330 -23.488 -31.194 0.23 12.95 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.940 -23.398 -32.880 0.20 10.85 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -26.979 -24.563 -30.277 0.23 12.53 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.815 -24.207 -31.690 0.20 10.90 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.795 -25.544 -29.936 0.23 13.13 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.827 -24.780 -31.038 0.20 10.85 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.020 -25.589 -30.427 0.23 13.03 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.056 -24.733 -31.509 0.20 11.88 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.378 -26.480 -29.105 0.23 14.04 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.584 -25.450 -29.927 0.20 11.06 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.231 -18.559 -33.338 1.00 11.26 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.635 -17.677 -34.455 1.00 12.51 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.929 -18.192 -35.064 1.00 13.59 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.671 -17.345 -35.630 1.00 16.05 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.510 -17.600 -35.489 1.00 14.41 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.120 -18.880 -36.169 1.00 17.69 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.607 -19.971 -35.762 1.00 20.64 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.345 -18.763 -37.168 1.00 21.58 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.216 -19.482 -35.025 1.00 12.20 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.382 -20.069 -35.724 1.00 14.55 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.642 -20.208 -34.849 1.00 12.95 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.552 -20.915 -35.228 1.00 14.05 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -28.969 -21.399 -36.294 1.00 17.23 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.531 -22.243 -35.317 1.00 17.94 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.704 -19.557 -33.686 1.00 11.91 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.941 -19.626 -32.877 1.00 11.68 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.154 -19.130 -33.680 1.00 11.82 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.036 -18.204 -34.493 1.00 12.65 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.857 -18.874 -31.534 1.00 11.47 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.850 -19.550 -30.614 1.00 11.30 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.641 -17.395 -31.678 1.00 11.32 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.283 -19.746 -33.373 1.00 12.74 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.633 -19.312 -33.842 1.00 14.35 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.830 -17.819 -33.547 1.00 13.13 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.549 -17.368 -32.444 1.00 13.89 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.654 -20.161 -33.090 1.00 16.94 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.128 -19.878 -33.404 1.00 19.63 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.047 -20.731 -32.540 1.00 22.99 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.642 -21.731 -31.910 1.00 23.43 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.321 -20.353 -32.448 1.00 24.60 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.389 -17.082 -34.501 1.00 12.36 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.676 -15.632 -34.352 1.00 11.76 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.178 -15.416 -34.233 1.00 12.89 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.562 -14.402 -33.635 1.00 13.27 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.151 -14.812 -35.508 1.00 12.54 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.687 -15.027 -35.843 1.00 12.64 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.749 -14.771 -34.635 1.00 12.83 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.370 -15.239 -34.931 1.00 13.37 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.457 -14.542 -35.566 1.00 13.45 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.719 -13.325 -35.954 1.00 16.14 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.281 -15.061 -35.849 1.00 16.26 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.016 -16.243 -34.852 1.00 13.26 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.477 -15.962 -34.988 1.00 14.00 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.288 -16.850 -34.074 1.00 15.19 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.939 -18.060 -33.950 1.00 17.11 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.877 -16.149 -36.456 1.00 14.44 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.043 -15.407 -37.461 1.00 15.43 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.004 -13.882 -37.249 1.00 16.76 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.206 -13.201 -38.318 1.00 16.83 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.149 -11.731 -38.122 1.00 16.62 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.354 -16.339 -33.496 1.00 16.12 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.244 -17.137 -32.658 1.00 16.11 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.761 -17.273 -31.231 1.00 17.62 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.777 -16.542 -30.820 1.00 16.83 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.396 -18.187 -30.513 1.00 17.74 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.136 -18.425 -29.091 1.00 19.22 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.080 -19.511 -28.935 1.00 18.52 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -41.991 -20.437 -29.772 1.00 19.00 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.433 -18.828 -28.381 1.00 22.61 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.437 -17.693 -28.408 1.00 30.27 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.807 -18.127 -27.979 1.00 38.59 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.151 -18.030 -26.803 1.00 50.10 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.576 -18.623 -28.939 1.00 43.93 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.230 -19.319 -27.930 1.00 15.82 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.199 -20.311 -27.554 1.00 15.20 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.707 -20.038 -26.144 1.00 15.22 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.866 -18.934 -25.609 1.00 16.84 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.009 -20.274 -28.514 1.00 14.97 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.374 -18.911 -28.673 1.00 14.61 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.376 -18.505 -27.790 1.00 14.68 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.722 -18.044 -29.702 1.00 14.48 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.758 -17.273 -27.936 1.00 14.00 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.117 -16.805 -29.824 1.00 13.89 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.132 -16.427 -28.947 1.00 14.35 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.149 -21.062 -25.500 0.25 15.57 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.134 -21.082 -25.545 0.25 14.93 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.527 -20.924 -24.159 0.25 15.67 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.485 -21.049 -24.213 0.25 14.76 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.012 -20.775 -24.307 0.25 14.16 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -36.996 -20.718 -24.377 0.25 13.63 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.407 -21.391 -25.205 0.25 13.66 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.388 -21.110 -25.416 0.25 13.49 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.848 -22.072 -23.257 0.25 17.98 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.675 -22.359 -23.490 0.25 15.74 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.490 -23.288 -23.880 0.25 20.84 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.048 -22.548 -23.154 0.25 17.70 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.426 -20.015 -23.395 1.00 12.90 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.973 -19.850 -23.320 1.00 13.39 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.376 -21.052 -22.629 1.00 13.42 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.482 -21.203 -21.420 1.00 15.26 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.623 -18.579 -22.561 1.00 13.76 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.097 -17.283 -23.204 1.00 14.44 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.725 -16.090 -22.318 1.00 15.46 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.551 -17.100 -24.609 1.00 15.97 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.676 -21.911 -23.372 1.00 12.05 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.089 -23.149 -22.837 1.00 11.89 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.875 -23.502 -23.676 1.00 10.94 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.852 -23.187 -24.872 1.00 11.01 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.043 -24.332 -22.839 1.00 14.13 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.378 -24.671 -24.165 1.00 17.40 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.940 -24.282 -23.146 1.00 10.80 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.818 -24.762 -23.963 1.00 12.32 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.318 -25.649 -25.111 1.00 12.39 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.750 -25.535 -26.226 1.00 12.53 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.927 -25.551 -22.976 1.00 12.60 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.232 -24.846 -21.642 1.00 13.35 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.716 -24.547 -21.724 1.00 12.52 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.402 -26.396 -24.935 1.00 13.29 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -31.946 -27.240 -26.026 1.00 15.16 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.370 -26.354 -27.200 1.00 14.62 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.338 -26.794 -28.360 1.00 16.61 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.096 -28.081 -25.482 1.00 20.13 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.693 -28.953 -24.306 1.00 28.69 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.087 -28.435 -22.924 1.00 34.77 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.374 -27.533 -22.341 1.00 22.95 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.116 -28.974 -22.400 1.00 41.88 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.837 -25.132 -26.955 1.00 12.47 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.247 -24.190 -28.014 1.00 12.91 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.103 -23.263 -28.408 1.00 11.83 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.306 -22.421 -29.280 1.00 12.53 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.470 -23.376 -27.577 1.00 14.06 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.752 -24.158 -27.559 1.00 16.90 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.855 -25.222 -28.190 1.00 18.92 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.722 -23.688 -26.784 1.00 17.89 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.893 -23.444 -27.890 1.00 10.32 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.727 -22.657 -28.300 1.00 10.17 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.469 -21.382 -27.521 1.00 9.14  ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.822 -20.490 -28.030 1.00 9.90  ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.932 -21.339 -26.250 1.00 9.60  ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.723 -20.152 -25.382 1.00 9.32  ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.036 -20.512 -24.069 1.00 8.61  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.476 -21.504 -23.437 1.00 10.04 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.067 -19.488 -25.035 1.00 10.25 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.854 -18.982 -26.223 1.00 9.56  ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.766 -19.790 -26.865 1.00 10.30 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.725 -17.693 -26.674 1.00 10.29 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.510 -19.343 -27.956 1.00 11.01 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.462 -17.250 -27.752 1.00 10.88 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.356 -18.066 -28.370 1.00 10.88 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.092 -19.690 -23.645 1.00 8.24  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.410 -19.781 -22.333 1.00 8.55  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.569 -18.428 -21.667 1.00 7.83  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.835 -17.490 -21.963 1.00 8.67  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.950 -20.232 -22.472 1.00 8.92  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.851 -21.598 -23.098 1.00 8.90  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.765 -22.798 -22.460 1.00 10.19 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.882 -21.916 -24.516 1.00 9.43  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.793 -23.837 -23.375 1.00 10.52 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.855 -23.319 -24.636 1.00 10.14 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.948 -21.144 -25.683 1.00 9.95  ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.910 -23.946 -25.896 1.00 11.50 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -25.996 -21.776 -26.916 1.00 11.74 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -25.995 -23.149 -27.005 1.00 11.74 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.564 -18.344 -20.778 1.00 8.41  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.087 -17.040 -20.272 1.00 8.61  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.426 -17.112 -18.772 1.00 8.41  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.695 -18.185 -18.241 1.00 8.54  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.340 -16.600 -21.035 1.00 9.21  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.407 -17.507 -20.821 1.00 9.93  ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.038 -16.378 -22.504 1.00 9.28  ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.469 -15.921 -18.187 1.00 8.68  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.109 -15.693 -16.845 1.00 8.48  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.109 -14.561 -17.028 1.00 8.61  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.041 -13.784 -18.035 1.00 8.99  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.089 -15.396 -15.729 1.00 8.87  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.395 -14.045 -15.912 1.00 9.74  ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.086 -16.543 -15.626 1.00 9.46  ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.564 -13.581 -14.727 1.00 10.31 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -31.968 -14.416 -16.043 1.00 8.78  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -32.982 -13.346 -16.101 1.00 9.54  ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.389 -12.887 -14.728 1.00 9.61  ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.210 -13.590 -13.708 1.00 9.99  ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.179 -13.775 -16.898 1.00 11.54 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.964 -14.912 -16.398 1.00 13.10 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.823 -14.921 -15.339 1.00 13.58 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.080 -16.168 -17.044 1.00 13.84 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.480 -16.112 -15.285 1.00 15.81 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.057 -16.897 -16.324 1.00 13.73 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.497 -16.718 -18.178 1.00 15.12 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.406 -18.205 -16.670 1.00 17.14 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.878 -17.983 -18.536 1.00 17.24 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.821 -18.690 -17.810 1.00 16.20 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -33.988 -11.687 -14.720 1.00 9.32  ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.767 -11.133 -13.593 1.00 9.85  ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.219 -11.093 -14.018 1.00 9.59  ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.539 -10.626 -15.110 1.00 9.76  ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.305 -9.728  -13.291 1.00 10.12 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.147 -8.959  -12.266 1.00 10.63 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.168 -9.642  -10.894 1.00 11.08 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.680 -7.527  -12.153 1.00 12.16 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.111 -11.550 -13.133 1.00 10.79 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.561 -11.569 -13.382 1.00 11.60 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.267 -11.614 -12.038 1.00 13.08 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -38.964 -12.492 -11.213 1.00 13.26 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.926 -12.790 -14.208 1.00 14.80 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.376 -13.029 -14.335 1.00 17.30 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.145 -14.036 -13.802 1.00 18.42 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.236 -12.222 -15.135 1.00 18.09 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.432 -13.878 -14.213 1.00 19.15 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.523 -12.778 -15.027 1.00 16.76 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.060 -11.092 -15.939 1.00 17.10 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.634 -12.246 -15.677 1.00 20.43 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.168 -10.536 -16.548 1.00 22.38 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.439 -11.092 -16.415 1.00 21.24 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.155 -10.642 -11.775 1.00 12.27 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -40.999 -10.664 -10.544 1.00 12.40 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.113 -10.850 -9.344  1.00 13.80 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.465 -11.711 -8.448  1.00 15.63 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.101 -11.706 -10.676 1.00 14.26 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.015 -11.390 -11.835 1.00 15.53 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.282 -12.212 -11.906 1.00 17.05 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.221 -11.859 -12.629 1.00 20.76 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.344 -13.302 -11.153 1.00 16.24 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.099 -10.039 -9.213  1.00 14.20 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.298 -9.917  -7.993  1.00 17.73 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.499 -11.204 -7.701  1.00 17.99 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.887 -11.257 -6.587  1.00 25.43 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.270 -9.615  -6.842  1.00 21.16 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.639 -9.035  -5.621  1.00 29.09 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.683 -8.234  -5.748  1.00 32.15 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.160 -9.374  -4.530  1.00 36.10 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.339 -12.110 -8.675  1.00 14.71 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.426 -13.282 -8.524  1.00 16.74 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.509 -13.395 -9.737  1.00 13.94 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.908 -13.063 -10.900 1.00 13.86 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.199 -14.514 -8.169  1.00 20.03 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.870 -15.052 -9.266  1.00 28.51 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.322 -13.916 -9.498  1.00 11.88 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.315 -14.211 -10.553 1.00 10.85 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.291 -15.702 -10.820 1.00 10.69 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.291 -16.503 -9.869  1.00 11.65 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.950 -13.689 -10.150 1.00 11.40 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.883 -12.190 -9.898  1.00 11.75 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.137 -11.653 -8.639  1.00 12.53 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.531 -11.314 -10.908 1.00 11.16 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.042 -10.284 -8.410  1.00 13.08 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.453 -9.950  -10.696 1.00 11.47 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.695 -9.441  -9.438  1.00 11.99 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.672 -8.087  -9.190  1.00 12.88 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.252 -16.096 -12.098 0.25 10.29 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.285 -16.086 -12.103 0.25 10.51 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.260 -17.531 -12.491 0.25 10.47 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.280 -17.507 -12.540 0.25 10.80 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.333 -17.755 -13.685 0.25 9.23  ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.210 -17.698 -13.620 0.25 9.19  ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.254 -16.896 -14.569 0.25 9.21  ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.842 -16.719 -14.325 0.25 8.70  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.673 -17.999 -12.818 0.25 11.61 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.658 -17.929 -13.047 0.25 12.50 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.654 -17.891 -11.651 0.25 13.40 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.788 -17.755 -12.035 0.25 15.07 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.063 -18.308 -12.038 0.25 14.51 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.990 -18.925 -11.081 0.25 16.51 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.474 -18.023 -13.176 0.25 17.03 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.463 -20.022 -11.353 0.25 20.72 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.743 -18.942 -11.207 0.25 15.55 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.734 -18.752 -10.097 0.25 21.81 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.717 -18.937 -13.735 1.00 9.42  ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.969 -19.365 -14.925 1.00 9.85  ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.909 -20.101 -15.854 1.00 10.13 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.763 -20.895 -15.432 1.00 10.17 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.792 -20.253 -14.555 1.00 9.99  ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.734 -19.834 -17.160 1.00 9.66  ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.542 -20.418 -18.240 1.00 11.14 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.179 -21.845 -18.565 1.00 11.26 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.866 -22.198 -19.685 1.00 13.72 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.131 -22.737 -17.595 1.00 13.61 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.146 -24.193 -17.799 1.00 14.70 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.572 -24.673 -18.054 1.00 14.89 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.485 -23.892 -17.894 1.00 16.95 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.528 -24.817 -16.568 1.00 12.62 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.217 -24.363 -15.381 1.00 13.02 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.079 -24.513 -16.383 1.00 13.94 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.749 -25.957 -18.392 1.00 19.03 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.098 -26.529 -18.569 1.00 22.08 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.263 -27.719 -17.623 1.00 22.35 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.590 -28.737 -17.787 1.00 24.06 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.369 -26.900 -20.017 1.00 26.87 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.710 -27.376 -20.148 1.00 30.04 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.036 -27.577 -16.527 1.00 20.13 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.714 -26.343 -16.143 1.00 19.95 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.734 -25.330 -15.510 1.00 16.42 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.589 -25.648 -15.232 1.00 15.57 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.756 -26.802 -15.122 1.00 23.06 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.088 -27.963 -14.448 1.00 22.90 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.258 -28.648 -15.528 1.00 22.18 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.197 -24.109 -15.316 1.00 15.13 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.344 -22.994 -14.826 1.00 14.39 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.812 -23.257 -13.408 1.00 12.55 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.449 -23.994 -12.629 1.00 14.10 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.050 -21.638 -14.918 1.00 18.84 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.181 -21.437 -13.935 1.00 25.79 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.538 -21.777 -14.504 1.00 35.17 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.699 -22.671 -15.339 1.00 42.16 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.546 -21.071 -14.014 1.00 43.20 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.686 -22.661 -13.109 1.00 11.36 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.968 -22.834 -11.831 1.00 11.01 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.991 -21.535 -11.040 1.00 10.65 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.542 -20.504 -11.549 1.00 12.05 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.538 -23.315 -12.092 1.00 10.67 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.576 -24.542 -12.820 1.00 11.90 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.793 -23.492 -10.798 1.00 11.33 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.374 -21.616 -9.767  1.00 11.57 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.322 -20.476 -8.843  1.00 12.06 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.894 -20.005 -8.602  1.00 11.85 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -30.997 -20.846 -8.344  1.00 13.95 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.987 -20.915 -7.526  1.00 14.85 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.353 -21.214 -7.794  1.00 17.09 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.783 -19.887 -6.433  1.00 17.82 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.627 -18.716 -8.711  1.00 10.99 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.334 -18.125 -8.381  1.00 10.45 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.412 -17.525 -6.967  1.00 12.53 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.517 -17.256 -6.462  1.00 16.07 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.906 -17.045 -9.389  1.00 10.41 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.829 -17.538 -10.833 1.00 10.11 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.575 -16.409 -11.819 1.00 10.54 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.760 -18.627 -10.959 1.00 11.54 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.274 -17.412 -6.316  1.00 11.98 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.137 -16.952 -4.904  1.00 12.87 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.292 -15.693 -4.945  1.00 14.23 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.041 -15.768 -5.020  1.00 19.00 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.497 -18.062 -4.052  1.00 13.83 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.288 -19.324 -4.015  1.00 13.83 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.995 -20.392 -4.848  1.00 16.63 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.361 -19.681 -3.306  1.00 15.81 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.866 -21.357 -4.603  1.00 17.53 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.696 -20.968 -3.661  1.00 16.36 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.915 -14.536 -4.992  1.00 16.70 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.223 -13.226 -5.127  1.00 19.02 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.630 -12.377 -3.896  1.00 18.57 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.812 -12.157 -3.680  1.00 25.38 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.574 -12.564 -6.478  1.00 19.67 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.136 -13.447 -7.665  1.00 17.60 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -27.984 -11.156 -6.504  1.00 24.30 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.364 -12.855 -9.048  1.00 17.58 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.657 -12.039 -3.074  1.00 22.09 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.901 -11.245 -1.829  1.00 23.43 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.866 -9.754  -2.171  1.00 22.41 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.668 -8.993  -1.568  1.00 22.45 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.829 -11.594 -0.789  1.00 25.79 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.886 -10.759 0.499   1.00 32.45 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.175 -10.934 1.277   1.00 36.83 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.859 -11.952 1.181   1.00 42.61 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.527 -9.924  2.061   1.00 39.06 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.062 -9.363  -3.162  1.00 19.18 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.876 -7.930  -3.576  1.00 17.42 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.429 -7.741  -4.983  1.00 17.11 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.786 -8.215  -5.944  1.00 15.87 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.402 -7.512  -3.527  1.00 18.95 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.199 -6.066  -4.024  1.00 19.76 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.854 -7.657  -2.106  1.00 21.00 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.656 -7.211  -5.176  1.00 15.41 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.211 -7.105  -6.527  1.00 15.85 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.233 -6.401  -7.437  1.00 15.49 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.715 -5.343  -7.143  1.00 15.72 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.473 -6.253  -6.301  1.00 18.12 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.897 -6.662  -4.887  1.00 19.19 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.612 -6.762  -4.131  1.00 18.46 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.852 -7.000  -8.578  1.00 14.33 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.838 -6.423  -9.432  1.00 13.83 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.345 -5.202  -10.202 1.00 13.62 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.435 -5.240  -10.724 1.00 13.84 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.427 -7.599  -10.339 1.00 13.98 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.578 -8.516  -10.307 1.00 16.15 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.185 -8.390  -8.940  1.00 14.92 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.481 -4.210  -10.330 1.00 13.39 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.685 -3.105  -11.300 1.00 13.60 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.892 -3.336  -12.579 1.00 12.74 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.195 -2.750  -13.602 1.00 12.55 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.314 -1.753  -10.721 1.00 16.79 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.300 -1.311  -9.257  1.00 25.32 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.814 -4.137  -12.530 0.25 12.79 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.942 -4.268  -12.509 0.25 12.91 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.069 -4.553  -13.752 0.25 13.01 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.045 -4.593  -13.637 0.25 13.56 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.696 -6.034  -13.641 0.25 12.05 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.797 -6.102  -13.599 0.25 12.31 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.247 -6.475  -12.560 0.25 11.13 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.665 -6.671  -12.494 0.25 11.23 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.781 -3.766  -14.021 0.25 14.59 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.768 -3.758  -13.548 0.25 15.91 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -22.961 -2.278  -14.285 0.25 15.95 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.005 -2.259  -13.642 0.25 17.69 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.847 -1.487  -13.006 0.25 17.79 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.793 -1.504  -14.130 0.25 19.53 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.088 -1.844  -12.106 0.25 18.72 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.684 -2.022  -14.150 0.25 23.48 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.625 -0.418  -12.907 0.25 18.26 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -22.002 -0.266  -14.531 0.25 21.80 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.843 -6.726  -14.778 1.00 11.41 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.651 -8.195  -14.949 1.00 11.38 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.425 -8.352  -15.848 1.00 11.23 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.373 -7.762  -16.948 1.00 11.02 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.894 -8.839  -15.574 1.00 12.16 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.200 -8.655  -14.781 1.00 14.98 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.611 -10.328 -15.845 1.00 12.54 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.218 -9.407  -13.541 1.00 14.41 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.483 -9.223  -15.464 1.00 10.99 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.399 -9.674  -16.349 1.00 10.63 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.695 -11.050 -16.924 1.00 10.30 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.256 -11.910 -16.253 1.00 10.91 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.447 -11.209 -18.229 1.00 10.45 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.702 -12.473 -18.990 1.00 9.98  ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.384 -12.948 -19.589 1.00 10.81 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.696 -12.191 -20.290 1.00 10.81 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.742 -12.225 -20.092 1.00 10.89 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.025 -11.690 -19.460 1.00 12.10 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.029 -13.502 -20.868 1.00 11.80 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.054 -11.308 -20.423 1.00 15.40 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.030 -14.175 -19.239 1.00 10.31 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.782 -14.825 -19.696 1.00 10.15 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.139 -16.069 -20.483 1.00 10.19 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.904 -16.916 -20.015 1.00 10.53 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.921 -15.227 -18.505 1.00 11.51 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.673 -15.988 -18.864 1.00 12.54 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.659 -15.374 -19.558 1.00 13.92 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.512 -17.309 -18.498 1.00 14.10 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.498 -16.080 -19.875 1.00 15.88 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.375 -18.029 -18.849 1.00 15.86 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.367 -17.391 -19.515 1.00 15.53 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.577 -16.185 -21.684 1.00 10.66 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.727 -17.374 -22.551 1.00 10.89 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.350 -17.970 -22.825 1.00 10.05 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.463 -17.262 -23.312 1.00 11.66 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.458 -17.024 -23.856 1.00 10.86 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.594 -18.256 -24.728 1.00 12.85 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.824 -16.399 -23.574 1.00 12.56 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.213 -19.243 -22.529 1.00 10.35 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.018 -20.027 -22.962 1.00 11.97 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.523 -21.048 -23.975 1.00 10.25 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.133 -22.056 -23.610 1.00 11.01 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.293 -20.651 -21.793 1.00 12.74 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.031 -21.435 -22.154 1.00 14.37 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.903 -21.861 -23.333 1.00 15.08 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.212 -21.558 -21.189 1.00 18.53 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.298 -20.755 -25.261 1.00 11.65 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.867 -21.590 -26.338 1.00 12.01 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.347 -23.035 -26.256 1.00 12.60 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.093 -23.977 -26.242 1.00 13.68 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.630 -20.975 -27.729 1.00 12.07 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.554 -21.567 -28.769 1.00 12.36 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.366 -22.842 -29.290 1.00 12.71 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.696 -20.890 -29.181 1.00 11.92 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.264 -23.413 -30.165 1.00 12.09 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.600 -21.447 -30.066 1.00 12.16 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.403 -22.724 -30.567 1.00 11.27 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.296 -23.320 -31.407 1.00 12.09 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.041 -23.149 -26.144 1.00 14.10 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.399 -24.495 -26.190 1.00 14.91 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.829 -25.315 -24.987 1.00 14.37 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.171 -26.505 -25.152 1.00 16.60 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.883 -24.392 -26.272 1.00 16.58 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.444 -24.194 -27.735 1.00 23.57 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.827 -22.881 -28.324 1.00 26.42 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.087 -22.837 -29.484 1.00 23.49 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.867 -21.878 -27.568 1.00 28.40 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.903 -24.711 -23.801 1.00 12.96 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.274 -25.413 -22.573 1.00 13.84 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.776 -25.710 -22.514 1.00 13.59 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.185 -26.558 -21.705 1.00 15.98 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.859 -24.631 -21.354 1.00 15.54 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.619 -25.051 -23.305 1.00 11.97 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.074 -25.188 -23.219 1.00 11.30 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.634 -24.577 -21.915 1.00 10.17 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.415 -25.261 -21.243 1.00 11.68 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.212 -23.357 -21.606 1.00 10.77 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.613 -22.661 -20.347 1.00 11.28 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.200 -21.294 -20.677 1.00 10.44 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.616 -20.521 -21.451 1.00 11.15 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.388 -22.495 -19.433 1.00 11.83 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.670 -21.503 -18.285 1.00 12.60 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.947 -23.881 -18.944 1.00 13.18 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.295 -20.972 -19.981 1.00 10.22 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.854 -19.587 -19.935 1.00 9.63  ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.061 -19.231 -18.449 1.00 9.14  ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.830 -19.949 -17.777 1.00 9.90  ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.176 -19.475 -20.712 1.00 9.44  ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.679 -18.031 -20.687 1.00 9.99  ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.040 -19.991 -22.133 1.00 9.69  ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.412 -18.188 -17.987 1.00 8.87  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.511 -17.787 -16.569 1.00 9.72  ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -20.982 -16.338 -16.463 1.00 9.20  ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.680 -15.508 -17.308 1.00 10.51 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.197 -17.971 -15.833 1.00 9.73  ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.841 -19.347 -15.737 1.00 11.23 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.672 -16.066 -15.359 1.00 9.00  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.289 -14.768 -15.066 1.00 9.54  ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.751 -14.305 -13.720 1.00 9.26  ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.767 -15.091 -12.722 1.00 9.57  ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.824 -14.868 -15.048 1.00 9.17  ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.407 -15.268 -16.381 1.00 9.01  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.480 -16.602 -16.776 1.00 9.04  ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.929 -14.302 -17.235 1.00 9.01  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -24.992 -16.940 -18.028 1.00 9.35  ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.426 -14.664 -18.481 1.00 8.89  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.479 -15.976 -18.862 1.00 8.87  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.441 -13.020 -13.625 1.00 9.47  ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.775 -12.408 -12.450 1.00 10.82 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.557 -11.160 -12.036 1.00 11.55 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.014 -10.341 -12.853 1.00 11.47 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.306 -12.097 -12.723 1.00 11.40 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.493 -13.337 -12.992 1.00 11.86 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.003 -14.144 -11.973 1.00 12.95 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.309 -13.793 -14.289 1.00 12.52 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.341 -15.332 -12.245 1.00 13.19 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.629 -14.964 -14.580 1.00 13.11 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.117 -15.730 -13.550 1.00 13.06 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.461 -16.921 -13.792 1.00 15.11 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.583 -10.930 -10.726 1.00 12.26 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.280 -9.777  -10.087 1.00 12.13 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.254 -8.665  -9.906  1.00 11.69 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.492 -8.682  -8.889  1.00 13.87 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.906 -10.222 -8.772  1.00 12.07 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.721 -9.122  -8.100  1.00 12.49 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.560 -7.943  -8.462  1.00 13.54 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.625 -9.517  -7.253  1.00 14.10 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.171 -7.687  -10.798 1.00 13.04 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.100 -6.658  -10.753 1.00 14.55 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.355 -5.767  -9.518  1.00 16.21 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.369 -5.296  -8.916  1.00 17.86 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.084 -5.863  -12.063 1.00 15.09 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.882 -6.774  -13.285 1.00 16.13 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.043 -4.752  -12.026 1.00 17.08 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.839 -7.832  -13.092 1.00 19.11 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.597 -5.564  -9.132  1.00 15.33 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -21.984 -4.711  -7.962  1.00 16.17 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.424 -5.342  -6.684  1.00 18.84 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -20.980 -4.579  -5.786  1.00 22.46 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.511 -4.569  -7.910  1.00 15.72 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -23.960 -4.106  -9.183  1.00 15.78 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -23.953 -3.606  -6.824  1.00 17.24 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.360 -6.665  -6.591  1.00 17.48 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.849 -7.420  -5.418  1.00 18.60 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.436 -7.963  -5.684  1.00 18.78 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.240 -9.175  -5.538  1.00 19.63 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.871 -8.452  -5.029  1.00 18.30 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.485 -9.250  -3.815  1.00 22.12 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.019 -8.622  -2.832  1.00 23.22 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.652 -10.465 -3.873  1.00 22.52 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.505 -7.117  -6.085  1.00 20.66 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.061 -7.468  -6.180  1.00 23.95 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.890 -8.680  -7.112  1.00 22.08 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -15.984 -9.492  -6.915  1.00 25.04 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.439 -7.822  -4.811  1.00 29.31 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.722 -6.916  -3.650  1.00 36.69 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.022 -5.737  -3.436  1.00 41.58 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.556 -7.060  -2.592  1.00 40.81 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.451 -5.165  -2.324  1.00 44.48 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.392 -5.962  -1.781  1.00 42.29 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.729 -8.805  -8.141  1.00 18.26 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.520 -9.841  -9.169  1.00 16.10 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.948 -11.219 -8.728  1.00 15.08 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.450 -12.147 -9.336  1.00 15.96 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.768 -11.376 -7.717  1.00 13.74 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.128 -12.710 -7.196  1.00 12.66 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.842 -13.536 -8.274  1.00 12.75 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.633 -13.000 -9.095  1.00 12.57 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -19.989 -12.597 -5.959  1.00 13.64 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.167 -11.827 -6.144  1.00 14.66 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.634 -14.827 -8.278  1.00 11.60 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.292 -15.735 -9.252  1.00 10.74 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.792 -15.784 -9.021  1.00 10.53 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.304 -16.002 -7.880  1.00 11.49 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.687 -17.134 -9.110  1.00 11.51 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.247 -18.191 -10.078 1.00 11.43 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.880 -17.905 -11.524 1.00 11.48 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.713 -19.584 -9.687  1.00 12.64 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.556 -15.643 -10.113 1.00 10.01 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.003 -15.850 -10.140 1.00 10.35 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.348 -17.257 -10.609 1.00 9.57  ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.161 -17.957 -10.032 1.00 10.02 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.670 -14.766 -11.016 1.00 10.56 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.515 -13.374 -10.424 1.00 11.57 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.138 -15.100 -11.222 1.00 10.81 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.945 -12.254 -11.363 1.00 11.67 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.787 -17.675 -11.765 1.00 9.69  ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.172 -18.976 -12.352 1.00 9.23  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.129 -19.389 -13.389 1.00 9.02  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.629 -18.517 -14.129 1.00 9.77  ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.546 -18.905 -13.076 1.00 9.19  ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.096 -20.256 -13.418 1.00 9.17  ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.752 -21.050 -12.471 1.00 10.13 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.966 -20.775 -14.708 1.00 9.42  ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.202 -22.318 -12.776 1.00 10.81 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.410 -22.033 -15.015 1.00 10.22 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -27.025 -22.798 -14.055 1.00 10.30 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.425 -24.086 -14.318 1.00 12.96 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.872 -20.689 -13.485 1.00 9.06  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.041 -21.289 -14.555 1.00 9.73  ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.816 -22.398 -15.233 1.00 9.60  ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.187 -23.387 -14.617 1.00 10.24 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.705 -21.835 -14.011 1.00 10.27 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.930 -20.719 -13.591 1.00 10.73 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.959 -22.659 -15.053 1.00 11.20 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.019 -22.237 -16.548 1.00 9.51  ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.398 -23.337 -17.461 1.00 9.77  ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.087 -24.010 -17.893 1.00 10.24 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.218 -23.374 -18.456 1.00 10.86 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.071 -22.825 -18.728 1.00 10.30 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.441 -22.203 -18.567 1.00 8.66  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.612 -20.847 -18.324 1.00 8.32  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.564 -22.972 -18.771 1.00 9.11  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.888 -20.307 -18.243 1.00 9.30  ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.841 -22.417 -18.693 1.00 9.53  ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.983 -21.083 -18.438 1.00 8.69  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -21.995 -25.308 -17.607 1.00 11.58 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.856 -26.102 -18.092 1.00 12.77 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.384 -27.252 -18.931 1.00 12.48 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.588 -27.511 -18.998 1.00 14.09 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.014 -26.528 -16.924 1.00 13.51 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.677 -27.472 -16.130 1.00 17.92 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.447 -27.931 -19.613 1.00 14.72 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.815 -28.995 -20.597 1.00 16.04 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.756 -28.410 -21.658 1.00 13.87 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.692 -29.127 -22.121 1.00 16.09 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.477 -30.197 -19.915 1.00 19.12 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.804 -30.700 -18.648 1.00 24.02 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.442 -32.024 -18.284 1.00 34.84 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.433 -32.020 -17.523 1.00 37.79 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -21.033 -33.045 -18.874 1.00 40.93 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.508 -27.162 -22.049 1.00 12.65 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.363 -26.524 -23.066 1.00 11.70 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.130 -27.177 -24.433 1.00 12.67 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.926 -27.430 -24.757 1.00 14.49 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.161 -25.014 -23.209 1.00 11.26 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.555 -24.087 -21.699 1.00 11.69 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.186 -27.378 -25.178 1.00 12.27 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.050 -27.889 -26.569 1.00 13.81 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.487 -26.727 -27.468 1.00 12.22 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.664 -26.620 -27.842 1.00 14.80 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.816 -29.232 -26.722 1.00 16.11 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.683 -29.715 -28.164 1.00 16.75 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.320 -30.302 -25.745 1.00 17.96 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.586 -25.814 -27.800 1.00 11.85 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.890 -24.571 -28.546 1.00 12.02 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.454 -24.938 -29.920 1.00 12.99 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.469 -24.358 -30.358 1.00 14.44 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.693 -23.636 -28.547 1.00 11.66 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.265 -23.145 -27.181 1.00 10.56 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.216 -22.638 -26.287 1.00 10.76 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.932 -23.152 -26.787 1.00 12.04 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.815 -22.175 -25.037 1.00 11.00 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.537 -22.684 -25.541 1.00 11.89 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.478 -22.167 -24.686 1.00 11.30 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.776 -25.837 -30.645 1.00 12.48 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.239 -26.407 -31.928 1.00 12.79 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.346 -25.328 -32.998 1.00 12.42 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.165 -25.530 -33.958 1.00 14.19 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.506 -27.162 -31.737 1.00 13.51 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.552 -24.288 -32.928 1.00 12.95 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.624 -23.198 -33.911 1.00 13.83 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.901 -21.971 -33.416 1.00 12.22 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.481 -21.921 -32.218 1.00 12.64 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.780 -20.950 -34.241 1.00 11.68 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.310 -19.654 -33.793 1.00 11.50 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.269 -19.100 -32.719 1.00 11.55 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.489 -19.336 -32.782 1.00 11.51 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.336 -18.752 -35.040 1.00 12.06 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.463 -19.772 -36.197 1.00 12.56 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.212 -20.928 -35.652 1.00 11.95 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.689 -18.343 -31.796 1.00 10.80 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.462 -17.688 -30.691 1.00 10.40 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.579 -16.194 -30.931 1.00 10.87 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.644 -15.558 -31.410 1.00 12.06 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.788 -17.916 -29.336 1.00 10.96 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.807 -19.350 -28.822 1.00 12.21 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -20.962 -19.428 -27.570 1.00 11.82 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.221 -19.848 -28.566 1.00 12.71 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.712 -15.624 -30.506 1.00 10.61 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.935 -14.170 -30.509 1.00 10.63 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.347 -13.692 -29.125 1.00 9.17  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.116 -14.371 -28.453 1.00 9.76  ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -24.990 -13.817 -31.550 1.00 11.94 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.475 -14.155 -32.956 1.00 14.35 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.388 -13.791 -34.080 1.00 15.88 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.426 -12.350 -34.179 1.00 15.46 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.139 -11.746 -35.109 1.00 16.12 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.758 -12.451 -36.030 1.00 16.67 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.197 -10.440 -35.102 1.00 14.94 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.891 -12.513 -28.687 1.00 9.07  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.445 -11.912 -27.469 1.00 9.09  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -25.962 -11.726 -27.613 1.00 8.60  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.454 -11.398 -28.685 1.00 9.44  ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.750 -10.559 -27.351 1.00 9.56  ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.445 -10.763 -28.170 1.00 10.79 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.878 -11.643 -29.308 1.00 11.26 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.691 -12.032 -26.536 1.00 8.50  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.163 -12.062 -26.511 1.00 8.81  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.682 -11.118 -25.415 1.00 8.24  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.187 -11.105 -24.289 1.00 8.31  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.651 -13.481 -26.257 1.00 8.97  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.151 -13.569 -26.089 1.00 8.95  ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.003 -13.548 -27.183 1.00 9.84  ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.723 -13.600 -24.831 1.00 9.91  ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.376 -13.626 -27.015 1.00 10.41 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.096 -13.616 -24.665 1.00 10.21 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.921 -13.657 -25.764 1.00 10.41 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.754 -10.365 -25.750 1.00 8.28  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.358 -9.337  -24.875 1.00 8.38  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.876 -9.395  -24.991 1.00 8.98  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.404 -9.465  -26.100 1.00 9.41  ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.904 -7.923  -25.251 1.00 8.90  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.400 -7.780  -25.354 1.00 8.91  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.744 -8.082  -26.539 1.00 8.97  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.626 -7.313  -24.290 1.00 10.23 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.356 -8.024  -26.633 1.00 9.25  ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.250 -7.196  -24.402 1.00 10.09 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.622 -7.537  -25.586 1.00 10.29 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.561 -9.222  -23.866 1.00 8.88  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.019 -8.979  -23.828 1.00 8.76  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.233 -7.847  -22.840 1.00 8.32  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.927 -7.995  -21.640 1.00 9.25  ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.802 -10.218 -23.418 1.00 9.34  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.298 -10.026 -23.517 1.00 10.20 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.804 -8.953  -23.808 1.00 10.76 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.030 -11.092 -23.294 1.00 11.70 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.762 -6.700  -23.306 1.00 8.78  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.027 -5.541  -22.408 1.00 8.99  ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.297 -5.765  -21.586 1.00 9.19  ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.523 -4.946  -20.655 1.00 10.13 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.116 -4.191  -23.152 1.00 9.69  ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.807 -3.845  -23.822 1.00 10.88 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.261 -4.154  -24.137 1.00 10.27 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.101 -6.779  -21.922 1.00 9.63  ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.392 -7.031  -21.236 1.00 10.22 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.479 -6.072  -21.668 1.00 10.01 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.251 -5.027  -22.269 1.00 9.66  ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.710 -6.528  -21.432 1.00 10.43 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.913 -5.685  -21.602 1.00 10.20 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -41.951 -4.605  -20.551 1.00 10.05 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.245 -4.662  -19.549 1.00 10.17 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.187 -6.541  -21.647 1.00 11.45 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.286 -7.437  -22.855 1.00 12.21 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.671 -6.928  -24.083 1.00 14.64 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.017 -8.792  -22.768 1.00 13.64 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.745 -7.752  -25.210 1.00 15.39 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.111 -9.600  -23.902 1.00 15.00 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.514 -9.086  -25.086 1.00 15.25 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.817 -3.637  -20.798 1.00 10.54 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.027 -2.544  -19.818 1.00 10.26 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.546 -2.395  -19.612 1.00 10.36 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.063 -1.259  -19.635 1.00 12.09 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.366 -1.262  -20.294 1.00 10.61 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.403 -0.183  -19.253 1.00 10.69 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.442 -0.428  -18.059 1.00 10.96 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.341 1.049   -19.714 1.00 12.55 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.222 -3.452  -19.256 1.00 10.91 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.651 -3.399  -18.851 1.00 10.23 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.793 -2.610  -17.563 1.00 10.83 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.872 -1.962  -17.355 1.00 12.34 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.218 -4.813  -18.647 1.00 10.86 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.317 -5.635  -19.903 1.00 13.21 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.333 -5.432  -20.823 1.00 16.36 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.456 -6.697  -20.091 1.00 14.87 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.386 -6.173  -21.997 1.00 17.49 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.522 -7.466  -21.255 1.00 15.13 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.476 -7.189  -22.195 1.00 16.72 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.590 -7.965  -23.337 1.00 22.45 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.841 -2.617  -16.639 1.00 10.53 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -45.941 -2.014  -15.290 1.00 11.52 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.664 -0.509  -15.318 1.00 11.71 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -45.989 0.177   -14.332 1.00 13.31 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -44.987 -2.643  -14.341 1.00 11.66 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.643 -2.356  -14.786 1.00 11.85 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.028 0.017   -16.350 1.00 10.34 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.517 1.398   -16.279 1.00 10.76 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.252 1.541   -15.471 1.00 11.47 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.780 2.670   -15.350 1.00 13.53 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.702 0.451   -14.929 1.00 10.78 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.484 0.480   -14.113 1.00 10.54 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.276 -0.154  -14.802 1.00 11.05 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.218 -0.227  -14.144 1.00 12.98 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.387 -0.548  -16.049 1.00 9.78  ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.297 -1.268  -16.744 1.00 9.65  ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.863 -0.567  -18.024 1.00 9.98  ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.294 -1.231  -18.889 1.00 10.75 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.699 -2.711  -17.059 1.00 9.48  ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.488 -3.596  -17.337 1.00 9.15  ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.442 -3.401  -16.711 1.00 9.68  ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.640 -4.503  -18.290 1.00 9.30  ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.952 0.764   -18.096 1.00 10.31 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.566 1.484   -19.332 1.00 11.62 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.052 1.634   -19.486 1.00 11.14 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.608 1.906   -20.607 1.00 12.73 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.193 2.890   -19.299 1.00 12.42 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.305 1.486   -18.414 1.00 10.31 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.851 1.780   -18.471 1.00 10.85 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.139 0.893   -19.504 1.00 10.95 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.506 -0.269  -19.746 1.00 10.61 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.205 1.627   -17.127 1.00 11.57 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.038 1.388   -20.089 1.00 10.71 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.293 0.615   -21.088 1.00 10.84 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.377 -0.486  -20.504 1.00 9.92  ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.043 -0.444  -19.347 1.00 11.00 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.417 1.700   -21.758 1.00 11.68 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.170 2.684   -20.663 1.00 13.83 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.499 2.751   -19.911 1.00 12.74 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -30.998 -1.427  -21.354 1.00 10.17 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.739 -2.197  -21.181 1.00 10.46 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.609 -1.401  -21.823 1.00 10.25 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.785 -0.904  -22.944 1.00 12.40 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.882 -3.566  -21.816 1.00 10.03 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.920 -4.503  -21.179 1.00 10.28 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.085 -5.788  -21.979 1.00 10.93 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.573 -4.874  -19.760 1.00 12.11 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.470 -1.331  -21.143 1.00 10.37 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.315 -0.561  -21.682 1.00 11.64 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.081 -1.446  -21.643 1.00 11.97 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.740 -1.968  -20.544 1.00 12.06 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.045 0.737   -20.905 1.00 13.06 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.209 1.690   -20.725 1.00 15.85 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.801 2.994   -20.036 1.00 19.64 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.948 3.901   -19.672 1.00 23.74 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.444 5.079   -18.916 1.00 29.59 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.356 -1.515  -22.731 1.00 11.70 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.018 -2.171  -22.732 1.00 12.11 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.019 -1.226  -22.080 1.00 13.62 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.861 -0.087  -22.600 1.00 16.51 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.656 -2.557  -24.167 1.00 12.39 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.416 -3.808  -24.624 1.00 13.52 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.615 -3.885  -26.124 1.00 16.39 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.764 -5.089  -24.069 1.00 12.31 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.345 -1.682  -21.042 1.00 15.32 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.440 -0.839  -20.204 1.00 18.04 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.073 -0.781  -20.835 1.00 19.46 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.600 -1.751  -21.383 1.00 20.97 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.128 -1.495  -18.874 1.00 20.43 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.558 -1.997  -17.933 1.00 21.42 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.370 0.362   -20.701 1.00 24.82 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.044 0.508   -21.271 1.00 30.40 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.058 -0.402  -20.537 1.00 30.52 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.224 -0.636  -19.334 1.00 30.90 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.764 2.014   -21.097 1.00 29.91 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.608 2.431   -19.933 1.00 29.93 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.859 1.588   -20.044 1.00 27.59 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.103 -0.906  -21.321 1.00 36.97 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.804 -1.521  -20.939 1.00 39.42 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.004 -0.557  -20.062 1.00 45.78 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.180 -1.041  -19.282 1.00 52.40 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.032 -1.822  -22.228 1.00 38.52 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.613 -3.411  -22.905 1.00 28.08 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.245 -3.156  -23.173 1.00 19.80 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.422 -4.038  -23.989 1.00 34.87 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.221 -3.482  -25.277 1.00 39.14 ? 201 EDO B O2  1 
HETATM 1571 N N1  . UXD C 3 .   ? -28.153 -29.341 -25.348 0.43 23.77 ? 202 UXD B N1  1 
HETATM 1572 C C4  . UXD C 3 .   ? -25.600 -26.370 -20.892 0.43 22.06 ? 202 UXD B C4  1 
HETATM 1573 C C5  . UXD C 3 .   ? -26.928 -28.527 -23.733 0.43 23.40 ? 202 UXD B C5  1 
HETATM 1574 C C6  . UXD C 3 .   ? -27.502 -28.249 -24.963 0.43 22.03 ? 202 UXD B C6  1 
HETATM 1575 C C7  . UXD C 3 .   ? -27.269 -29.861 -23.474 0.43 24.62 ? 202 UXD B C7  1 
HETATM 1576 N N   . UXD C 3 .   ? -26.151 -27.518 -21.638 0.43 22.76 ? 202 UXD B N   1 
HETATM 1577 C C   . UXD C 3 .   ? -26.112 -27.565 -22.983 0.43 22.35 ? 202 UXD B C   1 
HETATM 1578 O O   . UXD C 3 .   ? -25.421 -26.771 -23.612 0.43 20.92 ? 202 UXD B O   1 
HETATM 1579 C C1  . UXD C 3 .   ? -26.638 -28.560 -20.717 0.43 23.22 ? 202 UXD B C1  1 
HETATM 1580 C C2  . UXD C 3 .   ? -25.864 -28.268 -19.450 0.43 22.87 ? 202 UXD B C2  1 
HETATM 1581 C C3  . UXD C 3 .   ? -25.728 -26.772 -19.436 0.43 22.44 ? 202 UXD B C3  1 
HETATM 1582 N N2  . UXD C 3 .   ? -28.014 -30.344 -24.450 0.43 25.17 ? 202 UXD B N2  1 
HETATM 1583 C C1  . EDO D 2 .   ? -50.401 -17.112 -33.061 1.00 40.76 ? 203 EDO B C1  1 
HETATM 1584 O O1  . EDO D 2 .   ? -49.165 -16.424 -33.043 1.00 34.39 ? 203 EDO B O1  1 
HETATM 1585 C C2  . EDO D 2 .   ? -51.047 -17.156 -31.734 1.00 39.73 ? 203 EDO B C2  1 
HETATM 1586 O O2  . EDO D 2 .   ? -51.200 -15.868 -31.211 1.00 45.47 ? 203 EDO B O2  1 
HETATM 1587 S S   . SO4 E 4 .   ? -40.420 -24.536 -26.305 1.00 34.42 ? 204 SO4 B S   1 
HETATM 1588 O O1  . SO4 E 4 .   ? -39.707 -23.555 -27.061 1.00 23.38 ? 204 SO4 B O1  1 
HETATM 1589 O O2  . SO4 E 4 .   ? -41.319 -25.259 -27.161 1.00 41.41 ? 204 SO4 B O2  1 
HETATM 1590 O O3  . SO4 E 4 .   ? -39.457 -25.451 -25.726 1.00 39.19 ? 204 SO4 B O3  1 
HETATM 1591 O O4  . SO4 E 4 .   ? -41.166 -23.916 -25.228 1.00 37.52 ? 204 SO4 B O4  1 
HETATM 1592 O O   . HOH F 5 .   ? -26.855 -28.438 -27.862 1.00 23.80 ? 301 HOH B O   1 
HETATM 1593 O O   . HOH F 5 .   ? -46.983 -16.607 -32.115 1.00 21.36 ? 302 HOH B O   1 
HETATM 1594 O O   . HOH F 5 .   ? -45.622 3.693   -34.057 1.00 17.47 ? 303 HOH B O   1 
HETATM 1595 O O   . HOH F 5 .   ? -38.682 -15.306 -11.576 1.00 28.51 ? 304 HOH B O   1 
HETATM 1596 O O   . HOH F 5 .   ? -22.702 -1.784  -9.652  1.00 25.93 ? 305 HOH B O   1 
HETATM 1597 O O   . HOH F 5 .   ? -18.657 -21.944 -35.743 1.00 15.65 ? 306 HOH B O   1 
HETATM 1598 O O   . HOH F 5 .   ? -40.039 -1.082  -9.732  1.00 26.93 ? 307 HOH B O   1 
HETATM 1599 O O   . HOH F 5 .   ? -37.996 2.823   -22.732 1.00 17.42 ? 308 HOH B O   1 
HETATM 1600 O O   . HOH F 5 .   ? -13.439 -23.517 -31.549 1.00 13.61 ? 309 HOH B O   1 
HETATM 1601 O O   . HOH F 5 .   ? -29.403 -12.373 -37.679 1.00 21.51 ? 310 HOH B O   1 
HETATM 1602 O O   . HOH F 5 .   ? -45.091 7.435   -24.663 1.00 35.61 ? 311 HOH B O   1 
HETATM 1603 O O   . HOH F 5 .   ? -38.470 0.631   -11.837 1.00 33.38 ? 312 HOH B O   1 
HETATM 1604 O O   . HOH F 5 .   ? -32.901 1.145   -33.476 1.00 18.70 ? 313 HOH B O   1 
HETATM 1605 O O   . HOH F 5 .   ? -12.654 -21.254 -18.625 1.00 26.21 ? 314 HOH B O   1 
HETATM 1606 O O   . HOH F 5 .   ? -45.483 0.099   -11.749 1.00 18.33 ? 315 HOH B O   1 
HETATM 1607 O O   . HOH F 5 .   ? -36.794 -16.210 -39.376 1.00 26.15 ? 316 HOH B O   1 
HETATM 1608 O O   . HOH F 5 .   ? -15.574 -5.410  -13.523 1.00 27.84 ? 317 HOH B O   1 
HETATM 1609 O O   . HOH F 5 .   ? -35.612 -19.124 -30.466 1.00 28.23 ? 318 HOH B O   1 
HETATM 1610 O O   . HOH F 5 .   ? -35.956 -22.443 -19.551 1.00 24.72 ? 319 HOH B O   1 
HETATM 1611 O O   . HOH F 5 .   ? -47.126 1.276   -25.519 1.00 31.85 ? 320 HOH B O   1 
HETATM 1612 O O   . HOH F 5 .   ? -26.133 3.519   -35.186 1.00 30.33 ? 321 HOH B O   1 
HETATM 1613 O O   . HOH F 5 .   ? -24.585 -30.997 -21.925 1.00 29.83 ? 322 HOH B O   1 
HETATM 1614 O O   . HOH F 5 .   ? -49.676 -1.745  -19.321 1.00 23.93 ? 323 HOH B O   1 
HETATM 1615 O O   . HOH F 5 .   ? -23.245 4.369   -24.614 1.00 22.71 ? 324 HOH B O   1 
HETATM 1616 O O   . HOH F 5 .   ? -30.751 -6.662  -11.265 1.00 13.49 ? 325 HOH B O   1 
HETATM 1617 O O   . HOH F 5 .   ? -36.628 -23.038 -30.709 1.00 30.85 ? 326 HOH B O   1 
HETATM 1618 O O   . HOH F 5 .   ? -36.258 5.559   -15.844 1.00 22.77 ? 327 HOH B O   1 
HETATM 1619 O O   . HOH F 5 .   ? -25.823 -22.654 -35.631 1.00 26.60 ? 328 HOH B O   1 
HETATM 1620 O O   . HOH F 5 .   ? -17.812 -19.851 -37.434 1.00 24.26 ? 329 HOH B O   1 
HETATM 1621 O O   . HOH F 5 .   ? -19.243 -29.716 -15.672 1.00 27.53 ? 330 HOH B O   1 
HETATM 1622 O O   . HOH F 5 .   ? -37.266 -25.589 -11.420 1.00 33.80 ? 331 HOH B O   1 
HETATM 1623 O O   . HOH F 5 .   ? -17.598 -21.314 -12.358 1.00 16.82 ? 332 HOH B O   1 
HETATM 1624 O O   . HOH F 5 .   ? -32.847 -18.266 -37.190 1.00 32.84 ? 333 HOH B O   1 
HETATM 1625 O O   . HOH F 5 .   ? -8.978  -13.485 -25.198 1.00 29.85 ? 334 HOH B O   1 
HETATM 1626 O O   . HOH F 5 .   ? -17.584 -27.631 -19.653 1.00 17.20 ? 335 HOH B O   1 
HETATM 1627 O O   . HOH F 5 .   ? -42.923 -15.352 -10.099 1.00 21.47 ? 336 HOH B O   1 
HETATM 1628 O O   . HOH F 5 .   ? -10.957 -21.119 -25.128 1.00 28.86 ? 337 HOH B O   1 
HETATM 1629 O O   . HOH F 5 .   ? -16.144 -19.634 -15.618 1.00 22.31 ? 338 HOH B O   1 
HETATM 1630 O O   . HOH F 5 .   ? -30.204 -23.900 -33.956 1.00 23.30 ? 339 HOH B O   1 
HETATM 1631 O O   . HOH F 5 .   ? -30.675 1.214   -16.986 1.00 24.05 ? 340 HOH B O   1 
HETATM 1632 O O   . HOH F 5 .   ? -36.706 -26.031 -23.771 1.00 31.74 ? 341 HOH B O   1 
HETATM 1633 O O   . HOH F 5 .   ? -30.814 -20.279 -21.314 1.00 11.16 ? 342 HOH B O   1 
HETATM 1634 O O   . HOH F 5 .   ? -38.527 -7.605  -10.701 1.00 14.13 ? 343 HOH B O   1 
HETATM 1635 O O   . HOH F 5 .   ? -26.567 -25.679 -16.375 1.00 15.91 ? 344 HOH B O   1 
HETATM 1636 O O   . HOH F 5 .   ? -38.777 -2.435  -21.302 1.00 12.97 ? 345 HOH B O   1 
HETATM 1637 O O   . HOH F 5 .   ? -18.463 -4.604  -24.632 1.00 15.90 ? 346 HOH B O   1 
HETATM 1638 O O   . HOH F 5 .   ? -41.769 1.516   -22.492 1.00 30.18 ? 347 HOH B O   1 
HETATM 1639 O O   . HOH F 5 .   ? -40.884 -9.286  -36.694 1.00 23.96 ? 348 HOH B O   1 
HETATM 1640 O O   . HOH F 5 .   ? -23.837 1.217   -10.711 1.00 32.65 ? 349 HOH B O   1 
HETATM 1641 O O   . HOH F 5 .   ? -16.659 -5.613  -9.237  1.00 28.25 ? 350 HOH B O   1 
HETATM 1642 O O   . HOH F 5 .   ? -19.343 -4.326  -22.019 1.00 13.96 ? 351 HOH B O   1 
HETATM 1643 O O   . HOH F 5 .   ? -45.082 -12.280 -26.492 1.00 28.90 ? 352 HOH B O   1 
HETATM 1644 O O   . HOH F 5 .   ? -37.965 -14.367 -21.416 1.00 29.51 ? 353 HOH B O   1 
HETATM 1645 O O   . HOH F 5 .   ? -34.079 -21.939 -31.343 1.00 17.64 ? 354 HOH B O   1 
HETATM 1646 O O   . HOH F 5 .   ? -26.489 1.958   -10.947 1.00 28.48 ? 355 HOH B O   1 
HETATM 1647 O O   . HOH F 5 .   ? -28.403 -21.625 -8.941  1.00 16.79 ? 356 HOH B O   1 
HETATM 1648 O O   . HOH F 5 .   ? -38.454 3.844   -42.139 1.00 24.07 ? 357 HOH B O   1 
HETATM 1649 O O   . HOH F 5 .   ? -40.682 -14.482 -8.434  1.00 26.48 ? 358 HOH B O   1 
HETATM 1650 O O   . HOH F 5 .   ? -13.433 -20.982 -35.101 1.00 30.15 ? 359 HOH B O   1 
HETATM 1651 O O   . HOH F 5 .   ? -42.527 -5.735  -12.220 1.00 17.71 ? 360 HOH B O   1 
HETATM 1652 O O   . HOH F 5 .   ? -40.209 -14.295 -31.381 1.00 13.41 ? 361 HOH B O   1 
HETATM 1653 O O   . HOH F 5 .   ? -26.725 -17.641 -7.734  1.00 14.67 ? 362 HOH B O   1 
HETATM 1654 O O   . HOH F 5 .   ? -25.659 -14.250 -3.112  1.00 28.18 ? 363 HOH B O   1 
HETATM 1655 O O   . HOH F 5 .   ? -36.185 -1.786  -33.766 1.00 17.19 ? 364 HOH B O   1 
HETATM 1656 O O   . HOH F 5 .   ? -20.924 -16.342 -5.460  1.00 17.07 ? 365 HOH B O   1 
HETATM 1657 O O   . HOH F 5 .   ? -9.462  -18.549 -30.170 1.00 45.38 ? 366 HOH B O   1 
HETATM 1658 O O   . HOH F 5 .   ? -33.402 -1.826  -38.395 1.00 24.84 ? 367 HOH B O   1 
HETATM 1659 O O   . HOH F 5 .   ? -32.224 -4.942  -12.878 1.00 12.01 ? 368 HOH B O   1 
HETATM 1660 O O   . HOH F 5 .   ? -19.125 -29.135 -23.424 1.00 22.83 ? 369 HOH B O   1 
HETATM 1661 O O   . HOH F 5 .   ? -19.723 1.817   -30.462 1.00 29.81 ? 370 HOH B O   1 
HETATM 1662 O O   . HOH F 5 .   ? -36.493 -0.963  -22.047 1.00 12.25 ? 371 HOH B O   1 
HETATM 1663 O O   . HOH F 5 .   ? -40.943 -5.962  -38.023 1.00 23.40 ? 372 HOH B O   1 
HETATM 1664 O O   . HOH F 5 .   ? -42.187 -3.887  -39.404 1.00 19.69 ? 373 HOH B O   1 
HETATM 1665 O O   . HOH F 5 .   ? -36.985 0.839   -15.500 1.00 15.00 ? 374 HOH B O   1 
HETATM 1666 O O   . HOH F 5 .   ? -27.155 -20.286 -6.985  1.00 16.35 ? 375 HOH B O   1 
HETATM 1667 O O   . HOH F 5 .   ? -35.512 -17.038 -8.186  1.00 32.50 ? 376 HOH B O   1 
HETATM 1668 O O   . HOH F 5 .   ? -23.294 2.351   -22.931 1.00 25.11 ? 377 HOH B O   1 
HETATM 1669 O O   . HOH F 5 .   ? -21.072 -5.850  -2.159  1.00 43.39 ? 378 HOH B O   1 
HETATM 1670 O O   . HOH F 5 .   ? -35.434 -4.538  -42.108 1.00 20.84 ? 379 HOH B O   1 
HETATM 1671 O O   . HOH F 5 .   ? -43.789 -0.575  -24.320 1.00 26.45 ? 380 HOH B O   1 
HETATM 1672 O O   . HOH F 5 .   ? -10.295 -23.558 -21.905 1.00 27.23 ? 381 HOH B O   1 
HETATM 1673 O O   . HOH F 5 .   ? -41.591 -9.748  -43.738 1.00 28.99 ? 382 HOH B O   1 
HETATM 1674 O O   . HOH F 5 .   ? -45.616 -19.595 -31.655 1.00 27.65 ? 383 HOH B O   1 
HETATM 1675 O O   . HOH F 5 .   ? -9.345  -20.759 -28.840 1.00 30.46 ? 384 HOH B O   1 
HETATM 1676 O O   . HOH F 5 .   ? -36.490 -0.235  -42.255 1.00 34.89 ? 385 HOH B O   1 
HETATM 1677 O O   . HOH F 5 .   ? -17.904 -4.311  -5.900  1.00 35.44 ? 386 HOH B O   1 
HETATM 1678 O O   . HOH F 5 .   ? -23.969 -12.360 -6.514  1.00 16.79 ? 387 HOH B O   1 
HETATM 1679 O O   . HOH F 5 .   ? -41.278 -7.871  -3.291  1.00 38.95 ? 388 HOH B O   1 
HETATM 1680 O O   . HOH F 5 .   ? -45.868 -4.277  -33.866 1.00 18.81 ? 389 HOH B O   1 
HETATM 1681 O O   . HOH F 5 .   ? -45.733 -14.604 -27.584 1.00 33.52 ? 390 HOH B O   1 
HETATM 1682 O O   . HOH F 5 .   ? -14.947 -19.777 -37.479 1.00 22.77 ? 391 HOH B O   1 
HETATM 1683 O O   . HOH F 5 .   ? -25.276 -10.433 -23.507 1.00 11.65 ? 392 HOH B O   1 
HETATM 1684 O O   . HOH F 5 .   ? -23.677 -20.950 -38.946 1.00 20.42 ? 393 HOH B O   1 
HETATM 1685 O O   . HOH F 5 .   ? -35.869 -3.507  -9.955  1.00 44.70 ? 394 HOH B O   1 
HETATM 1686 O O   . HOH F 5 .   ? -24.802 -15.011 -6.787  1.00 14.73 ? 395 HOH B O   1 
HETATM 1687 O O   . HOH F 5 .   ? -12.657 -18.497 -34.699 1.00 34.16 ? 396 HOH B O   1 
HETATM 1688 O O   . HOH F 5 .   ? -18.262 -17.256 -36.272 1.00 24.92 ? 397 HOH B O   1 
HETATM 1689 O O   . HOH F 5 .   ? -33.321 -14.860 -6.933  1.00 20.75 ? 398 HOH B O   1 
HETATM 1690 O O   . HOH F 5 .   ? -41.454 -8.477  -13.248 1.00 18.08 ? 399 HOH B O   1 
HETATM 1691 O O   . HOH F 5 .   ? -40.728 6.325   -33.070 1.00 26.51 ? 400 HOH B O   1 
HETATM 1692 O O   . HOH F 5 .   ? -34.012 -21.774 -36.589 1.00 39.48 ? 401 HOH B O   1 
HETATM 1693 O O   . HOH F 5 .   ? -31.444 3.471   -26.736 1.00 21.87 ? 402 HOH B O   1 
HETATM 1694 O O   . HOH F 5 .   ? -9.322  -15.975 -26.511 1.00 25.50 ? 403 HOH B O   1 
HETATM 1695 O O   . HOH F 5 .   ? -28.705 7.934   -29.953 1.00 27.63 ? 404 HOH B O   1 
HETATM 1696 O O   . HOH F 5 .   ? -13.209 -6.215  -29.139 1.00 29.05 ? 405 HOH B O   1 
HETATM 1697 O O   . HOH F 5 .   ? -24.202 -4.216  -36.838 1.00 34.04 ? 406 HOH B O   1 
HETATM 1698 O O   . HOH F 5 .   ? -39.908 2.745   -16.067 1.00 14.85 ? 407 HOH B O   1 
HETATM 1699 O O   . HOH F 5 .   ? -14.330 -16.475 -32.998 1.00 27.56 ? 408 HOH B O   1 
HETATM 1700 O O   . HOH F 5 .   ? -17.979 -16.042 -6.117  1.00 22.30 ? 409 HOH B O   1 
HETATM 1701 O O   . HOH F 5 .   ? -24.814 -11.075 -4.116  1.00 21.85 ? 410 HOH B O   1 
HETATM 1702 O O   . HOH F 5 .   ? -39.922 -11.559 -22.697 1.00 29.64 ? 411 HOH B O   1 
HETATM 1703 O O   . HOH F 5 .   ? -30.956 4.125   -24.264 1.00 22.57 ? 412 HOH B O   1 
HETATM 1704 O O   . HOH F 5 .   ? -52.379 -14.206 -28.998 1.00 41.00 ? 413 HOH B O   1 
HETATM 1705 O O   . HOH F 5 .   ? -42.360 -5.001  -43.669 1.00 20.15 ? 414 HOH B O   1 
HETATM 1706 O O   . HOH F 5 .   ? -41.264 5.355   -28.364 1.00 25.35 ? 415 HOH B O   1 
HETATM 1707 O O   . HOH F 5 .   ? -17.837 -11.092 -35.555 1.00 24.27 ? 416 HOH B O   1 
HETATM 1708 O O   . HOH F 5 .   ? -15.954 -12.137 -5.439  1.00 42.66 ? 417 HOH B O   1 
HETATM 1709 O O   . HOH F 5 .   ? -16.032 -14.724 -8.580  1.00 31.13 ? 418 HOH B O   1 
HETATM 1710 O O   . HOH F 5 .   ? -38.690 3.938   -13.667 1.00 30.67 ? 419 HOH B O   1 
HETATM 1711 O O   . HOH F 5 .   ? -40.285 -7.416  -34.759 1.00 19.79 ? 420 HOH B O   1 
HETATM 1712 O O   . HOH F 5 .   ? -34.291 -7.216  -7.852  1.00 27.72 ? 421 HOH B O   1 
HETATM 1713 O O   . HOH F 5 .   ? -41.040 -8.755  -19.343 1.00 13.32 ? 422 HOH B O   1 
HETATM 1714 O O   . HOH F 5 .   ? -25.036 7.128   -28.845 1.00 26.19 ? 423 HOH B O   1 
HETATM 1715 O O   . HOH F 5 .   ? -43.330 3.819   -18.783 1.00 19.60 ? 424 HOH B O   1 
HETATM 1716 O O   . HOH F 5 .   ? -19.892 2.297   -23.946 1.00 36.03 ? 425 HOH B O   1 
HETATM 1717 O O   . HOH F 5 .   ? -34.619 -9.003  -6.027  1.00 38.47 ? 426 HOH B O   1 
HETATM 1718 O O   . HOH F 5 .   ? -16.020 -7.440  -11.247 1.00 26.27 ? 427 HOH B O   1 
HETATM 1719 O O   . HOH F 5 .   ? -30.793 -17.386 -42.684 1.00 31.78 ? 428 HOH B O   1 
HETATM 1720 O O   . HOH F 5 .   ? -47.697 0.000   -32.756 0.50 22.71 ? 429 HOH B O   1 
HETATM 1721 O O   . HOH F 5 .   ? -32.745 -23.581 -33.292 1.00 32.58 ? 430 HOH B O   1 
HETATM 1722 O O   . HOH F 5 .   ? -34.304 5.479   -17.953 1.00 35.55 ? 431 HOH B O   1 
HETATM 1723 O O   . HOH F 5 .   ? -8.477  -22.998 -30.297 1.00 25.91 ? 432 HOH B O   1 
HETATM 1724 O O   . HOH F 5 .   ? -36.646 -6.583  -8.914  1.00 28.90 ? 433 HOH B O   1 
HETATM 1725 O O   . HOH F 5 .   ? -21.575 6.907   -32.237 1.00 27.44 ? 434 HOH B O   1 
HETATM 1726 O O   . HOH F 5 .   ? -40.198 5.108   -22.050 1.00 28.44 ? 435 HOH B O   1 
HETATM 1727 O O   . HOH F 5 .   ? -22.792 3.383   -20.559 1.00 36.22 ? 436 HOH B O   1 
HETATM 1728 O O   . HOH F 5 .   ? -38.667 -16.431 -40.918 1.00 35.92 ? 437 HOH B O   1 
HETATM 1729 O O   . HOH F 5 .   ? -36.693 2.203   -43.200 1.00 37.07 ? 438 HOH B O   1 
HETATM 1730 O O   . HOH F 5 .   ? -15.900 -22.309 -14.520 1.00 26.19 ? 439 HOH B O   1 
HETATM 1731 O O   . HOH F 5 .   ? -28.359 -27.698 -16.843 1.00 21.11 ? 440 HOH B O   1 
HETATM 1732 O O   . HOH F 5 .   ? -16.020 -26.925 -17.182 1.00 34.94 ? 441 HOH B O   1 
HETATM 1733 O O   . HOH F 5 .   ? -42.195 -12.955 -22.385 1.00 27.87 ? 442 HOH B O   1 
# 
