data_7HN4
# 
_entry.id   7HN4 
# 
_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   7HN4         pdb_00007hn4 10.2210/pdb7hn4/pdb 
WWPDB D_1001407682 ?            ?                   
# 
_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                        7HN4 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'    21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                          62.068    2   ?        ? ? ? 
3 non-polymer syn 'N-(3-methylbenzene-1-carbonyl)glycine' 193.199   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                           96.063    1   ?        ? ? ? 
5 water       nat water                                   18.015    144 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                          EDO 
3 'N-(3-methylbenzene-1-carbonyl)glycine' VZY 
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 
VAL 'L-peptide linking' y VALINE                                  ?                 'C5 H11 N O2'    117.146 
VZY non-polymer         . 'N-(3-methylbenzene-1-carbonyl)glycine' ?                 'C10 H11 N O3'   193.199 
# 
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        VZY 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   VZY 
_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 VZY 1   202 302 VZY 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 12  HOH HOH B . 
F 5 HOH 3   303 99  HOH HOH B . 
F 5 HOH 4   304 29  HOH HOH B . 
F 5 HOH 5   305 2   HOH HOH B . 
F 5 HOH 6   306 26  HOH HOH B . 
F 5 HOH 7   307 9   HOH HOH B . 
F 5 HOH 8   308 4   HOH HOH B . 
F 5 HOH 9   309 107 HOH HOH B . 
F 5 HOH 10  310 1   HOH HOH B . 
F 5 HOH 11  311 63  HOH HOH B . 
F 5 HOH 12  312 33  HOH HOH B . 
F 5 HOH 13  313 21  HOH HOH B . 
F 5 HOH 14  314 27  HOH HOH B . 
F 5 HOH 15  315 40  HOH HOH B . 
F 5 HOH 16  316 16  HOH HOH B . 
F 5 HOH 17  317 34  HOH HOH B . 
F 5 HOH 18  318 102 HOH HOH B . 
F 5 HOH 19  319 51  HOH HOH B . 
F 5 HOH 20  320 25  HOH HOH B . 
F 5 HOH 21  321 5   HOH HOH B . 
F 5 HOH 22  322 90  HOH HOH B . 
F 5 HOH 23  323 70  HOH HOH B . 
F 5 HOH 24  324 10  HOH HOH B . 
F 5 HOH 25  325 11  HOH HOH B . 
F 5 HOH 26  326 129 HOH HOH B . 
F 5 HOH 27  327 100 HOH HOH B . 
F 5 HOH 28  328 39  HOH HOH B . 
F 5 HOH 29  329 80  HOH HOH B . 
F 5 HOH 30  330 18  HOH HOH B . 
F 5 HOH 31  331 85  HOH HOH B . 
F 5 HOH 32  332 31  HOH HOH B . 
F 5 HOH 33  333 267 HOH HOH B . 
F 5 HOH 34  334 86  HOH HOH B . 
F 5 HOH 35  335 16  HOH HOH B . 
F 5 HOH 36  336 15  HOH HOH B . 
F 5 HOH 37  337 68  HOH HOH B . 
F 5 HOH 38  338 36  HOH HOH B . 
F 5 HOH 39  339 7   HOH HOH B . 
F 5 HOH 40  340 157 HOH HOH B . 
F 5 HOH 41  341 26  HOH HOH B . 
F 5 HOH 42  342 58  HOH HOH B . 
F 5 HOH 43  343 62  HOH HOH B . 
F 5 HOH 44  344 20  HOH HOH B . 
F 5 HOH 45  345 116 HOH HOH B . 
F 5 HOH 46  346 2   HOH HOH B . 
F 5 HOH 47  347 29  HOH HOH B . 
F 5 HOH 48  348 50  HOH HOH B . 
F 5 HOH 49  349 55  HOH HOH B . 
F 5 HOH 50  350 66  HOH HOH B . 
F 5 HOH 51  351 6   HOH HOH B . 
F 5 HOH 52  352 22  HOH HOH B . 
F 5 HOH 53  353 27  HOH HOH B . 
F 5 HOH 54  354 28  HOH HOH B . 
F 5 HOH 55  355 10  HOH HOH B . 
F 5 HOH 56  356 3   HOH HOH B . 
F 5 HOH 57  357 89  HOH HOH B . 
F 5 HOH 58  358 81  HOH HOH B . 
F 5 HOH 59  359 30  HOH HOH B . 
F 5 HOH 60  360 126 HOH HOH B . 
F 5 HOH 61  361 1   HOH HOH B . 
F 5 HOH 62  362 19  HOH HOH B . 
F 5 HOH 63  363 211 HOH HOH B . 
F 5 HOH 64  364 4   HOH HOH B . 
F 5 HOH 65  365 59  HOH HOH B . 
F 5 HOH 66  366 72  HOH HOH B . 
F 5 HOH 67  367 214 HOH HOH B . 
F 5 HOH 68  368 304 HOH HOH B . 
F 5 HOH 69  369 17  HOH HOH B . 
F 5 HOH 70  370 47  HOH HOH B . 
F 5 HOH 71  371 61  HOH HOH B . 
F 5 HOH 72  372 8   HOH HOH B . 
F 5 HOH 73  373 71  HOH HOH B . 
F 5 HOH 74  374 93  HOH HOH B . 
F 5 HOH 75  375 43  HOH HOH B . 
F 5 HOH 76  376 76  HOH HOH B . 
F 5 HOH 77  377 184 HOH HOH B . 
F 5 HOH 78  378 32  HOH HOH B . 
F 5 HOH 79  379 264 HOH HOH B . 
F 5 HOH 80  380 3   HOH HOH B . 
F 5 HOH 81  381 172 HOH HOH B . 
F 5 HOH 82  382 137 HOH HOH B . 
F 5 HOH 83  383 48  HOH HOH B . 
F 5 HOH 84  384 25  HOH HOH B . 
F 5 HOH 85  385 46  HOH HOH B . 
F 5 HOH 86  386 24  HOH HOH B . 
F 5 HOH 87  387 303 HOH HOH B . 
F 5 HOH 88  388 103 HOH HOH B . 
F 5 HOH 89  389 32  HOH HOH B . 
F 5 HOH 90  390 60  HOH HOH B . 
F 5 HOH 91  391 73  HOH HOH B . 
F 5 HOH 92  392 64  HOH HOH B . 
F 5 HOH 93  393 33  HOH HOH B . 
F 5 HOH 94  394 14  HOH HOH B . 
F 5 HOH 95  395 154 HOH HOH B . 
F 5 HOH 96  396 97  HOH HOH B . 
F 5 HOH 97  397 125 HOH HOH B . 
F 5 HOH 98  398 8   HOH HOH B . 
F 5 HOH 99  399 56  HOH HOH B . 
F 5 HOH 100 400 156 HOH HOH B . 
F 5 HOH 101 401 23  HOH HOH B . 
F 5 HOH 102 402 49  HOH HOH B . 
F 5 HOH 103 403 12  HOH HOH B . 
F 5 HOH 104 404 54  HOH HOH B . 
F 5 HOH 105 405 13  HOH HOH B . 
F 5 HOH 106 406 42  HOH HOH B . 
F 5 HOH 107 407 7   HOH HOH B . 
F 5 HOH 108 408 281 HOH HOH B . 
F 5 HOH 109 409 20  HOH HOH B . 
F 5 HOH 110 410 120 HOH HOH B . 
F 5 HOH 111 411 57  HOH HOH B . 
F 5 HOH 112 412 41  HOH HOH B . 
F 5 HOH 113 413 257 HOH HOH B . 
F 5 HOH 114 414 15  HOH HOH B . 
F 5 HOH 115 415 38  HOH HOH B . 
F 5 HOH 116 416 18  HOH HOH B . 
F 5 HOH 117 417 45  HOH HOH B . 
F 5 HOH 118 418 140 HOH HOH B . 
F 5 HOH 119 419 69  HOH HOH B . 
F 5 HOH 120 420 112 HOH HOH B . 
F 5 HOH 121 421 263 HOH HOH B . 
F 5 HOH 122 422 53  HOH HOH B . 
F 5 HOH 123 423 5   HOH HOH B . 
F 5 HOH 124 424 22  HOH HOH B . 
F 5 HOH 125 425 44  HOH HOH B . 
F 5 HOH 126 426 197 HOH HOH B . 
F 5 HOH 127 427 19  HOH HOH B . 
F 5 HOH 128 428 30  HOH HOH B . 
F 5 HOH 129 429 266 HOH HOH B . 
F 5 HOH 130 430 114 HOH HOH B . 
F 5 HOH 131 431 133 HOH HOH B . 
F 5 HOH 132 432 115 HOH HOH B . 
F 5 HOH 133 433 23  HOH HOH B . 
F 5 HOH 134 434 21  HOH HOH B . 
F 5 HOH 135 435 13  HOH HOH B . 
F 5 HOH 136 436 98  HOH HOH B . 
F 5 HOH 137 437 82  HOH HOH B . 
F 5 HOH 138 438 104 HOH HOH B . 
F 5 HOH 139 439 127 HOH HOH B . 
F 5 HOH 140 440 205 HOH HOH B . 
F 5 HOH 141 441 14  HOH HOH B . 
F 5 HOH 142 442 270 HOH HOH B . 
F 5 HOH 143 443 131 HOH HOH B . 
F 5 HOH 144 444 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HN4 
_cell.length_a           95.388 
_cell.length_b           95.388 
_cell.length_c           45.754 
_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                         7HN4 
_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          7HN4 
_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   48.95 
_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   2024-05-24 
_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   0.92124 
_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        0.92124 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HN4 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             41.250 
_reflns.d_resolution_high            1.190 
_reflns.number_obs                   60873 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         92.500 
_reflns.pdbx_Rmerge_I_obs            0.056 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        19.100 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              9.600 
_reflns.pdbx_Rrim_I_all              0.059 
_reflns.pdbx_Rpim_I_all              0.017 
_reflns.pdbx_CC_half                 1.000 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     586822 
_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 1.190 1.210  ? 2022 1389 ? 0.696 ? ? ? 1.500  ? 0.500  ? ? ? ? ? ? 43.600 0.945 0.635 0.448 
1 2 6.520 41.250 ? 5455 434  ? 0.053 ? ? ? 12.600 ? 87.100 ? ? ? ? ? ? 99.700 0.056 0.017 0.995 
# 
_refine.entry_id                                 7HN4 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.1900 
_refine.ls_d_res_low                             41.2900 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    92.4300 
_refine.ls_number_reflns_obs                     57906 
_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                          0.1782 
_refine.ls_R_factor_R_work                       0.1774 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1952 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2954 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               15.5020 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0900 
_refine.aniso_B[2][2]                            0.0900 
_refine.aniso_B[3][3]                            -0.1900 
_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          0.9640 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0430 
_refine.pdbx_overall_ESU_R_Free                  0.0440 
_refine.overall_SU_ML                            0.0360 
_refine.overall_SU_B                             0.8530 
_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                                76.150 
_refine.B_iso_min                                7.550 
_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                       1.1900 
_refine_hist.d_res_low                        41.2900 
_refine_hist.pdbx_number_atoms_ligand         27 
_refine_hist.number_atoms_solvent             144 
_refine_hist.number_atoms_total               1664 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           41.14 
_refine_hist.pdbx_B_iso_mean_solvent          25.65 
_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       2042 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1639 0.001  0.014  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2544 1.874  1.640  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3775 1.444  1.581  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 238  7.196  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 115  27.435 20.435 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 294  11.448 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 18   20.024 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         220  0.088  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2274 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     514  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            968  1.359  1.326  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         962  1.318  1.314  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1144 2.133  1.984  ? ? 
# 
_refine_ls_shell.d_res_high                       1.1910 
_refine_ls_shell.d_res_low                        1.2220 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               46.7300 
_refine_ls_shell.number_reflns_R_work             2144 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3440 
_refine_ls_shell.R_factor_R_free                  0.3040 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             109 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2253 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HN4 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z56827661' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HN4 
_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              7HN4 
_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 7HN4 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HN4 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HN4 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HN4 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HN4 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HN4 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HN4 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HN4 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       -0.41 
# 
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                   7HN4 
_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_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   C2 
_pdbx_validate_close_contact.auth_asym_id_1   B 
_pdbx_validate_close_contact.auth_comp_id_1   VZY 
_pdbx_validate_close_contact.auth_seq_id_1    202 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   B 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    437 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.01 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                128.91 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            17.11 
_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 GLN B 78  ? ? 59.80   13.97 
2 1 ASP B 152 ? ? -102.99 52.84 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     430 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   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 
VAL N    N N N 387 
VAL CA   C N S 388 
VAL C    C N N 389 
VAL O    O N N 390 
VAL CB   C N N 391 
VAL CG1  C N N 392 
VAL CG2  C N N 393 
VAL OXT  O N N 394 
VAL H    H N N 395 
VAL H2   H N N 396 
VAL HA   H N N 397 
VAL HB   H N N 398 
VAL HG11 H N N 399 
VAL HG12 H N N 400 
VAL HG13 H N N 401 
VAL HG21 H N N 402 
VAL HG22 H N N 403 
VAL HG23 H N N 404 
VAL HXT  H N N 405 
VZY C4   C Y N 406 
VZY C5   C Y N 407 
VZY C6   C Y N 408 
VZY C7   C N N 409 
VZY C8   C N N 410 
VZY O1   O N N 411 
VZY C9   C N N 412 
VZY O2   O N N 413 
VZY N    N N N 414 
VZY O    O N N 415 
VZY C3   C Y N 416 
VZY C2   C Y N 417 
VZY C1   C Y N 418 
VZY C    C N N 419 
VZY H1   H N N 420 
VZY H2   H N N 421 
VZY H3   H N N 422 
VZY H4   H N N 423 
VZY H5   H N N 424 
VZY H6   H N N 425 
VZY H7   H N N 426 
VZY H8   H N N 427 
VZY H9   H N N 428 
VZY H10  H N N 429 
VZY H11  H N N 430 
# 
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 
VAL N   CA   sing N N 371 
VAL N   H    sing N N 372 
VAL N   H2   sing N N 373 
VAL CA  C    sing N N 374 
VAL CA  CB   sing N N 375 
VAL CA  HA   sing N N 376 
VAL C   O    doub N N 377 
VAL C   OXT  sing N N 378 
VAL CB  CG1  sing N N 379 
VAL CB  CG2  sing N N 380 
VAL CB  HB   sing N N 381 
VAL CG1 HG11 sing N N 382 
VAL CG1 HG12 sing N N 383 
VAL CG1 HG13 sing N N 384 
VAL CG2 HG21 sing N N 385 
VAL CG2 HG22 sing N N 386 
VAL CG2 HG23 sing N N 387 
VAL OXT HXT  sing N N 388 
VZY C3  C2   doub Y N 389 
VZY C3  C4   sing Y N 390 
VZY C2  C1   sing Y N 391 
VZY C4  C5   doub Y N 392 
VZY C1  C    sing N N 393 
VZY C1  C6   doub Y N 394 
VZY C5  C6   sing Y N 395 
VZY C5  C7   sing N N 396 
VZY O   C7   doub N N 397 
VZY C7  N    sing N N 398 
VZY N   C8   sing N N 399 
VZY C8  C9   sing N N 400 
VZY C9  O2   doub N N 401 
VZY C9  O1   sing N N 402 
VZY C4  H1   sing N N 403 
VZY C6  H2   sing N N 404 
VZY C8  H3   sing N N 405 
VZY C8  H4   sing N N 406 
VZY O1  H5   sing N N 407 
VZY N   H6   sing N N 408 
VZY C3  H7   sing N N 409 
VZY C2  H8   sing N N 410 
VZY C   H9   sing N N 411 
VZY C   H10  sing N N 412 
VZY C   H11  sing N N 413 
# 
_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                    7HN4 
_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]   0.021856 
_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   ? -13.212 -12.922 -9.870  1.00 63.15 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.748 -13.512 -11.175 1.00 56.43 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.651 -12.628 -11.785 1.00 53.69 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.560 -11.428 -11.418 1.00 56.62 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.932 -13.720 -12.143 1.00 49.53 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.483 -12.469 -12.757 1.00 43.59 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.911 -11.877 -13.869 1.00 42.88 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.564 -11.714 -12.452 1.00 40.34 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.598 -10.799 -14.203 1.00 41.37 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.619 -10.667 -13.347 1.00 36.06 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.888 -13.195 -12.720 1.00 48.86 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.764  -12.540 -13.440 1.00 48.05 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -9.981  -12.634 -14.961 1.00 41.03 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -8.986  -12.838 -15.684 1.00 40.85 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.442  -13.159 -12.941 1.00 57.01 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.284  -13.058 -11.455 1.00 67.89 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -7.870  -11.888 -10.827 1.00 69.15 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.517  -13.951 -10.466 1.00 74.70 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.840  -12.074 -9.522  1.00 72.68 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.226  -13.334 -9.274  1.00 76.15 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.230 -12.455 -15.435 1.00 33.28 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.656 -12.646 -16.856 1.00 27.67 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.637 -11.312 -17.608 1.00 28.02 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.782 -11.325 -18.838 1.00 24.63 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.075 -13.244 -16.956 1.00 27.07 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.214 -14.608 -16.376 1.00 27.64 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.324 -15.646 -16.655 1.00 26.97 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.144 -15.125 -15.544 1.00 26.60 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.708 -16.730 -16.007 1.00 31.76 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.817 -16.432 -15.329 1.00 30.54 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.443 -10.195 -16.905 1.00 29.90 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.566 -8.822  -17.461 1.00 31.68 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.683 -8.636  -18.700 1.00 29.15 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.144 -7.950  -19.621 1.00 30.12 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.263 -7.745  -16.400 1.00 38.45 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.101 -7.875  -15.176 1.00 47.79 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.677 -8.596  -14.062 1.00 56.44 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.338 -7.409  -14.884 1.00 52.31 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.617 -8.557  -13.131 1.00 58.48 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.653 -7.838  -13.614 1.00 55.85 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.499  -9.266  -18.768 1.00 27.59 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.532  -9.091  -19.887 1.00 28.26 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.020  -9.739  -21.192 1.00 26.36 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.383  -9.515  -22.223 1.00 27.94 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.141  -9.606  -19.481 1.00 34.04 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.095  -11.056 -19.145 1.00 33.09 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.508  -11.991 -19.984 1.00 41.17 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.528  -11.739 -18.061 1.00 35.56 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.597  -13.188 -19.437 1.00 33.69 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.220  -13.067 -18.261 1.00 39.23 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.082 -10.558 -21.170 1.00 21.52 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.751 -11.109 -22.385 1.00 18.79 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.849 -10.169 -22.863 1.00 17.01 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.663 -10.620 -23.649 1.00 15.51 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.310 -12.487 -22.096 1.00 17.60 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.240 -13.449 -21.688 1.00 19.24 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.225  -13.796 -22.569 1.00 19.42 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.076 -14.153 -20.558 1.00 20.30 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.437  -14.653 -21.953 1.00 19.71 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.921  -14.896 -20.728 1.00 21.93 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.898 -8.948  -22.355 1.00 17.05 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.961 -7.972  -22.702 1.00 19.33 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.051 -7.818  -24.215 1.00 18.94 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.005 -7.678  -24.932 1.00 21.83 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.656 -6.610  -22.069 1.00 23.50 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.696 -5.517  -22.329 1.00 29.82 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.248 -5.694  -21.374 1.00 41.58 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.736 -5.071  -19.778 1.00 33.96 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.267 -7.802  -24.737 1.00 16.35 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.572 -7.586  -26.174 1.00 17.37 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.564 -6.410  -26.254 1.00 17.71 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.435 -6.268  -25.367 1.00 17.45 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.103 -8.838  -26.900 1.00 18.41 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.010 -9.888  -27.042 1.00 21.38 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.317 -9.461  -26.239 1.00 19.29 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.485 -5.635  -27.330 1.00 17.71 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.371 -4.478  -27.585 1.00 17.75 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.587 -4.981  -28.359 1.00 18.03 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.482 -5.313  -29.524 1.00 21.85 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.625 -3.391  -28.355 1.00 18.94 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.399 -2.126  -28.558 1.00 22.76 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.523 -1.180  -27.568 1.00 27.26 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.109 -1.684  -29.619 1.00 27.23 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.247 -0.170  -28.021 1.00 24.31 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.624 -0.461  -29.285 1.00 29.47 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.713 -5.120  -27.674 1.00 14.56 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.960 -5.627  -28.294 1.00 15.14 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.775 -4.427  -28.827 1.00 14.63 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.812 -3.405  -28.170 1.00 14.27 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.774 -6.441  -27.272 1.00 14.58 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.981 -7.657  -26.769 1.00 15.24 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.118 -6.833  -27.854 1.00 13.75 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.384 -8.545  -27.836 1.00 15.40 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.378 -4.610  -29.982 1.00 13.89 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.355 -3.621  -30.525 1.00 14.38 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.606 -4.382  -30.922 1.00 15.14 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.563 -5.597  -31.216 1.00 15.67 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.769 -2.845  -31.710 1.00 16.74 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.420 -3.746  -32.747 1.00 18.79 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.593 -1.960  -31.337 1.00 18.51 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.745 -3.677  -30.884 1.00 13.33 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.034 -4.330  -31.163 1.00 12.78 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.321 -4.337  -32.656 1.00 12.90 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.017 -3.319  -33.350 1.00 15.45 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.119 -3.585  -30.408 1.00 13.19 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.930 -3.640  -28.909 1.00 12.92 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.933 -2.737  -28.183 1.00 15.05 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -26.992 -5.089  -28.395 1.00 14.81 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.921 -5.372  -33.154 1.00 11.93 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.300 -5.545  -34.579 1.00 12.53 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.790 -5.158  -34.747 1.00 13.29 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.678 -5.951  -34.456 1.00 12.66 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.023 -6.970  -35.080 1.00 12.85 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.359 -7.274  -36.535 1.00 16.83 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.022 -6.399  -37.153 1.00 16.83 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.068 -8.389  -37.036 1.00 17.16 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.007 -3.929  -35.239 0.25 14.16 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.025 -3.937  -35.245 0.25 14.50 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.337 -3.315  -35.524 0.25 15.48 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.382 -3.353  -35.447 0.25 15.96 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.249 -4.262  -36.296 0.25 15.21 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.265 -4.263  -36.301 0.25 15.56 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.468 -4.261  -36.038 0.25 14.59 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.489 -4.262  -36.086 0.25 14.91 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.166 -2.056  -36.387 0.25 17.04 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.282 -1.978  -36.123 0.25 18.31 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.344 -0.962  -35.728 0.25 19.24 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.928 -0.845  -35.174 0.25 20.70 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.294 0.312   -36.562 0.25 20.07 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.529 -0.294  -35.395 0.25 23.25 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.754 1.375   -35.733 0.25 20.63 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.407 0.707   -36.461 0.25 25.66 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.444 1.976   -34.783 0.25 19.82 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.890 0.492   -37.674 0.25 28.58 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.706 1.650   -34.591 0.25 21.68 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.450 -0.703  -38.028 0.25 30.09 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.885 2.909   -34.043 0.25 21.19 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.826 1.482   -38.546 0.25 30.38 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.692 -5.002  -37.254 1.00 14.36 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.488 -5.845  -38.155 1.00 16.08 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.183 -6.987  -37.429 1.00 14.17 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.162 -7.505  -37.923 1.00 13.82 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.626 -6.317  -39.332 1.00 19.39 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.399 -5.201  -40.335 1.00 26.29 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.176 -4.244  -40.410 1.00 32.84 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.312 -5.301  -41.080 1.00 39.07 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.642 -7.406  -36.263 1.00 12.27 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.178 -8.521  -35.474 1.00 11.89 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.214 -8.028  -34.462 1.00 10.86 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.899 -8.861  -33.850 1.00 11.24 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.085 -9.307  -34.736 1.00 12.35 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.519 -8.515  -33.696 1.00 12.26 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.069 -9.879  -35.714 1.00 12.66 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.273 -6.733  -34.253 1.00 11.15 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.075 -6.189  -33.124 1.00 10.78 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.569 -6.368  -33.355 1.00 11.27 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.071 -6.091  -34.470 1.00 12.76 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.774 -4.738  -32.937 1.00 11.37 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.310 -6.662  -32.329 1.00 10.89 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.769 -6.476  -32.349 1.00 10.49 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.047 -5.037  -32.799 1.00 10.52 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.341 -4.092  -32.466 1.00 10.54 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.296 -6.785  -30.968 1.00 11.82 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.772 -6.513  -30.836 1.00 13.10 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.218 -5.394  -30.656 1.00 13.65 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.516 -7.567  -30.858 1.00 17.06 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.126 -4.885  -33.560 1.00 10.46 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.481 -3.609  -34.220 1.00 11.36 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.871 -2.516  -33.229 1.00 10.88 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -39.965 -1.366  -33.707 1.00 12.27 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.602 -3.830  -35.209 1.00 13.08 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.734 -4.287  -34.511 1.00 15.91 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.056 -2.764  -31.942 1.00 9.79  ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.352 -1.727  -30.943 1.00 10.57 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.088 -1.224  -30.248 1.00 10.98 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.208 -0.321  -29.419 1.00 11.45 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.360 -2.245  -29.946 1.00 11.61 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.761 -2.356  -30.482 1.00 11.83 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.158 -2.889  -31.673 1.00 11.80 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.937 -1.919  -29.803 1.00 13.36 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.533 -2.810  -31.770 1.00 14.38 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.019 -2.263  -30.633 1.00 13.05 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.182 -1.325  -28.568 1.00 14.80 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.348 -1.970  -30.268 1.00 15.13 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.498 -1.065  -28.202 1.00 17.03 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.547 -1.418  -29.032 1.00 17.94 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.917 -1.839  -30.538 1.00 10.98 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.698 -1.439  -29.801 1.00 11.17 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.112 -0.167  -30.418 1.00 11.39 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.111 -0.012  -31.629 1.00 11.99 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.668 -2.569  -29.786 1.00 10.38 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.126 -3.833  -29.072 1.00 10.97 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.027 -4.875  -29.077 1.00 10.82 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.535 -3.590  -27.646 1.00 11.85 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.496 0.601   -29.552 1.00 11.04 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.717 1.821   -29.913 1.00 12.71 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.270 1.595   -29.475 1.00 12.80 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.003 1.471   -28.258 1.00 12.89 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.297 3.052   -29.265 1.00 13.98 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.772 3.312   -29.663 1.00 14.43 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.417 4.268   -29.610 1.00 15.12 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.423 4.360   -28.892 1.00 16.88 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.421 1.478   -30.466 1.00 15.37 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.958 1.283   -30.255 1.00 15.08 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.246 2.609   -30.448 1.00 16.82 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.530 3.367   -31.447 1.00 17.48 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.469 0.210   -31.191 1.00 15.80 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.069 -1.127  -30.785 1.00 19.13 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.943 0.113   -31.215 1.00 16.24 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.853 -2.151  -31.730 1.00 20.31 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.345 2.957   -29.570 1.00 16.27 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.644 4.248   -29.621 1.00 16.50 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.735 4.315   -30.858 1.00 14.86 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.376 3.329   -31.451 1.00 15.16 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.909 4.436   -28.345 1.00 17.18 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.935 3.392   -28.189 1.00 16.62 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.360 5.559   -31.209 1.00 18.52 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.457 5.801   -32.362 1.00 18.86 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.172 4.964   -32.256 1.00 16.79 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.751 4.457   -33.278 1.00 19.11 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.096 7.293   -32.411 1.00 21.04 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.192 7.657   -33.566 1.00 23.13 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.328 9.118   -33.885 1.00 24.84 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.079 9.944   -32.652 1.00 29.53 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.337 11.361  -32.936 1.00 33.14 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.582 4.890   -31.063 1.00 17.49 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.312 4.128   -30.856 1.00 17.00 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.560 2.603   -30.835 1.00 15.61 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.576 1.846   -30.733 1.00 16.15 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.553 4.610   -29.619 1.00 18.28 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.225 4.385   -28.284 1.00 19.34 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.337 3.748   -28.287 1.00 19.08 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.612 4.787   -27.275 1.00 21.76 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.791 2.129   -30.953 1.00 14.29 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.171 0.700   -30.933 1.00 13.90 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.724 0.048   -29.607 1.00 11.82 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.570 -1.196  -29.599 1.00 12.79 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.693 -0.007  -32.198 1.00 17.57 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.299 0.624   -33.451 1.00 21.98 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.955 -0.068  -34.726 1.00 29.13 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.528 -0.212  -34.945 1.00 36.31 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.821 -1.360  -34.883 1.00 50.46 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.388 -2.538  -34.605 1.00 46.82 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.514 -1.315  -35.121 1.00 54.94 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.698 0.778   -28.545 1.00 11.16 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.293 0.258   -27.228 1.00 12.55 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.421 0.252   -26.206 1.00 12.40 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.251 -0.312  -25.116 1.00 14.21 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.108 1.033   -26.640 1.00 13.45 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.863 0.959   -27.505 1.00 15.67 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.013 -0.255  -27.291 1.00 16.60 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.247 -0.068  -26.057 1.00 18.13 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.543 -1.025  -25.440 1.00 17.60 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.451 -2.203  -25.986 1.00 17.48 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.905 -0.749  -24.326 1.00 18.94 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.570 0.852   -26.483 1.00 11.80 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.729 0.891   -25.583 1.00 13.17 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -28.993 0.507   -26.330 1.00 11.97 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.124 0.779   -27.542 1.00 12.32 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.939 2.298   -24.995 1.00 15.26 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.686 2.919   -24.425 1.00 18.15 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.045 4.169   -23.638 1.00 20.52 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.200 4.408   -23.255 1.00 24.11 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.048 4.989   -23.411 1.00 25.98 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.935 -0.080  -25.606 1.00 10.81 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.235 -0.464  -26.206 1.00 10.93 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.314 -0.325  -25.156 1.00 11.31 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.127 -0.689  -24.006 1.00 11.07 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.175 -1.866  -26.818 1.00 10.37 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.754 -2.942  -25.796 1.00 10.56 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.491 -2.258  -27.454 1.00 11.16 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.456 0.248   -25.529 0.64 11.86 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.651 0.239   -24.650 0.64 12.59 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.914 -0.007  -25.487 0.64 11.64 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.894 0.102   -26.711 0.64 11.04 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.763 1.514   -23.808 0.64 14.46 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -34.962 2.786   -24.611 0.64 16.64 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.100 3.999   -23.707 0.64 18.36 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.213 5.223   -24.480 0.64 20.61 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.317 5.693   -25.061 0.64 20.21 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.476 5.065   -24.959 0.64 23.93 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.243 6.820   -25.760 0.64 23.30 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.964 -0.346  -24.753 0.33 10.75 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -36.987 -0.467  -24.859 0.31 12.10 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.328 -0.577  -25.287 0.33 11.67 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.249 -0.729  -25.599 0.31 13.21 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.952 0.777   -25.655 0.33 11.60 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.058 0.564   -25.653 0.31 12.53 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.953 1.697   -24.844 0.33 12.28 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.399 1.112   -24.553 0.31 11.91 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.152 -1.322  -24.228 0.33 11.95 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.110 -1.840  -24.989 0.31 15.06 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.507 -1.856  -24.712 0.33 13.29 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.423 -2.096  -25.804 0.31 16.77 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.343 -2.930  -26.206 0.33 16.09 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.255 -3.550  -25.141 0.31 19.10 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -41.931 -3.747  -26.268 0.33 15.53 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.620 -3.642  -26.299 0.31 19.00 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.357 0.948   -26.901 1.00 12.64 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.192 2.114   -27.242 1.00 14.09 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.645 1.865   -26.867 1.00 15.11 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.030 0.766   -26.470 1.00 15.44 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.440 2.950   -26.883 1.00 18.44 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.889 2.853   -26.511 1.00 19.78 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.717 2.515   -27.770 1.00 19.14 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.957 2.406   -27.640 1.00 19.10 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.360 4.115   -25.748 1.00 24.40 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.856 4.280   -24.301 1.00 36.13 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.591 3.248   -23.628 1.00 40.98 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.770 5.446   -23.817 1.00 37.22 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.103 2.286   -28.922 1.00 14.97 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.782 1.991   -30.220 1.00 15.13 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.821 1.295   -31.197 1.00 13.17 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.530 1.275   -31.000 1.00 12.67 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.335 3.325   -30.717 1.00 16.63 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.218 3.051   -31.776 1.00 18.80 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.239 4.265   -31.164 1.00 18.57 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.304 0.825   -32.337 1.00 13.25 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.476 0.339   -33.459 1.00 12.59 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.542 1.440   -33.931 1.00 13.82 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.010 2.609   -34.108 1.00 14.22 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.417 -0.169  -34.559 1.00 12.61 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.816 -0.837  -35.732 1.00 12.12 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.039 -0.167  -36.675 1.00 12.47 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.926 -2.119  -36.187 1.00 12.35 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.696 -1.000  -37.625 1.00 12.49 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.222 -2.258  -37.342 1.00 12.89 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.267 1.124   -34.168 1.00 12.13 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.236 2.141   -34.467 1.00 11.98 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.060 2.374   -35.969 1.00 13.69 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.031 2.966   -36.361 1.00 14.71 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.927 1.750   -33.750 1.00 12.24 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.067 1.820   -32.265 1.00 12.58 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.547 3.143   -31.743 1.00 13.27 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.481 3.274   -30.935 1.00 16.80 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.908 4.201   -32.200 1.00 12.54 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.029 1.991   -36.794 1.00 13.02 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.111 2.447   -38.206 1.00 12.28 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.007 1.844   -39.048 1.00 13.75 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.577 2.440   -40.040 1.00 15.41 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.119 3.986   -38.330 1.00 12.81 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.806 4.421   -39.611 1.00 12.56 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.681 3.748   -40.166 1.00 12.31 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.352 5.547   -40.166 1.00 12.65 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.654 0.597   -38.778 1.00 15.53 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.689 -0.221  -39.571 1.00 16.29 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.450 -1.284  -40.388 1.00 15.43 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.488 -1.694  -39.937 1.00 15.87 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.643 -0.886  -38.635 1.00 17.58 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.734 0.148   -37.985 1.00 20.79 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.264 -1.775  -37.562 1.00 18.56 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.931 -1.745  -41.526 1.00 16.61 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.506 -2.884  -42.272 1.00 17.25 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.281 -4.186  -41.509 1.00 15.44 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.294 -4.300  -40.740 1.00 15.51 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.932 -2.980  -43.664 1.00 19.92 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.527 -3.105  -43.601 1.00 22.57 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.129 -5.172  -41.716 1.00 16.41 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.975 -6.521  -41.133 1.00 16.09 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.944 -7.275  -41.967 1.00 17.46 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.685 -6.939  -43.159 1.00 17.49 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.311 -7.258  -41.024 1.00 17.35 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.375 -8.298  -39.897 1.00 19.68 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.342 -8.484  -39.191 1.00 17.01 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.495 -8.896  -39.622 1.00 20.76 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.335 -8.291  -41.352 1.00 16.10 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.354 -9.171  -42.027 1.00 17.87 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.301 -10.464 -41.226 1.00 17.99 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.905 -10.561 -40.142 1.00 18.00 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -36.019 -8.489  -42.214 1.00 16.36 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.269 -8.305  -40.909 1.00 17.23 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.135 -9.267  -40.144 1.00 18.77 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.796 -7.141  -40.609 1.00 15.60 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.663 -11.472 -41.790 1.00 18.33 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.696 -12.838 -41.223 1.00 20.39 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.793 -12.910 -39.976 1.00 16.98 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.992 -13.840 -39.201 1.00 18.33 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.179 -13.847 -42.265 1.00 22.92 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.719 -13.651 -42.615 1.00 29.04 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.275 -14.191 -43.966 1.00 37.95 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.763 -14.297 -44.032 1.00 42.77 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.336 -15.219 -45.112 1.00 49.93 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.897 -11.960 -39.789 1.00 15.83 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.986 -11.951 -38.595 1.00 16.35 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.674 -11.402 -37.334 1.00 15.33 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.218 -11.711 -36.218 1.00 16.01 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.757 -11.113 -38.851 1.00 18.18 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.880 -11.518 -40.048 1.00 23.67 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.717 -10.531 -40.213 1.00 30.85 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.739 -9.722  -41.185 1.00 40.86 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.808 -10.489 -39.344 1.00 35.20 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.691 -10.543 -37.443 1.00 13.79 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.191 -9.826  -36.244 1.00 12.95 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.909 -10.757 -35.311 1.00 12.53 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.776 -11.557 -35.697 1.00 13.34 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.185 -8.739  -36.643 1.00 12.13 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.609 -7.630  -37.483 1.00 13.50 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.506 -6.349  -37.401 1.00 12.48 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -36.987 -5.334  -38.283 1.00 14.69 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.901 -4.626  -38.064 1.00 14.16 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.286 -4.647  -36.883 1.00 13.21 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.415 -3.817  -39.008 1.00 16.34 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.605 -10.675 -34.023 1.00 11.62 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.407 -11.365 -32.995 1.00 11.40 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.827 -10.757 -32.997 1.00 13.09 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.972 -9.560  -32.758 1.00 13.32 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.785 -11.258 -31.611 1.00 10.41 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.547 -12.109 -31.460 1.00 10.32 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.662 -13.469 -31.219 1.00 10.65 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.275 -11.556 -31.548 1.00 10.73 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.540 -14.277 -31.097 1.00 11.19 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.144 -12.378 -31.375 1.00 11.18 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.302 -13.731 -31.148 1.00 10.27 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.849 -11.550 -33.232 1.00 13.74 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.231 -11.014 -33.422 1.00 14.73 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -41.971 -10.920 -32.110 1.00 14.97 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.763 -9.948  -31.942 1.00 17.54 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.983 -11.887 -34.428 1.00 15.85 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.118 -13.220 -33.983 1.00 15.66 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.838 -11.836 -31.191 1.00 13.62 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.782 -11.987 -30.054 1.00 14.92 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.286 -11.297 -28.786 1.00 13.87 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.061 -11.130 -27.839 1.00 15.88 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.086 -13.443 -29.716 1.00 16.52 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -43.974 -14.154 -30.737 1.00 18.15 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.803 -13.990 -31.941 1.00 21.73 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.959 -14.884 -30.228 1.00 23.12 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -40.976 -11.034 -28.681 1.00 12.43 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.355 -10.543 -27.427 1.00 11.52 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.393 -9.406  -27.754 1.00 10.37 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.856 -9.322  -28.854 1.00 11.16 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.571 -11.682 -26.777 1.00 12.27 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.285 -13.009 -26.705 1.00 13.51 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.309 -13.186 -25.787 1.00 15.59 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.984 -14.085 -27.523 1.00 14.41 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.983 -14.398 -25.661 1.00 16.64 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.681 -15.275 -27.456 1.00 14.92 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.660 -15.445 -26.498 1.00 15.31 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.261 -16.674 -26.440 1.00 16.77 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.080 -8.531  -26.781 1.00 10.21 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.224 -7.375  -27.019 1.00 10.28 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.715 -7.700  -27.001 1.00 9.54  ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.945 -7.173  -26.217 1.00 9.87  ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.620 -6.380  -25.896 1.00 12.00 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.792 -6.987  -25.209 1.00 13.53 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.728 -8.453  -25.470 1.00 11.21 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.332 -8.571  -27.948 1.00 9.37  ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -34.997 -9.190  -28.017 1.00 8.50  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.200 -8.590  -29.158 1.00 9.16  ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.714 -8.104  -30.202 1.00 9.82  ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.132 -10.691 -28.212 1.00 9.33  ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.673 -11.380 -26.996 1.00 9.60  ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.165 -13.083 -27.414 1.00 10.95 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.783 -13.711 -25.865 1.00 11.95 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.866 -8.664  -29.012 1.00 9.00  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.887 -8.192  -30.023 1.00 9.59  ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.586 -8.984  -29.833 1.00 9.74  ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.287 -9.362  -28.680 1.00 10.46 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.688 -6.665  -29.963 1.00 9.97  ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.168 -6.209  -28.626 1.00 10.38 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.823 -6.158  -31.120 1.00 10.51 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.821 -9.159  -30.890 1.00 9.60  ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.507 -9.817  -30.814 1.00 9.58  ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.390 -8.824  -30.933 1.00 10.68 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.500 -7.748  -31.642 1.00 11.77 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.344 -10.863 -31.912 1.00 10.61 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.412 -11.925 -31.939 1.00 10.79 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.137 -13.019 -32.984 1.00 12.68 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.594 -12.573 -30.590 1.00 11.26 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.229 -9.147  -30.368 1.00 10.39 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.959 -8.477  -30.746 1.00 10.51 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.566 -8.798  -32.186 1.00 10.59 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.887 -9.858  -32.676 1.00 11.33 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.798 -7.906  -32.799 1.00 12.01 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.311 -8.111  -34.179 1.00 13.51 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.192 -9.154  -34.215 1.00 14.01 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.039 -9.859  -35.236 1.00 17.49 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.843 -6.792  -34.719 1.00 15.10 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.453 -9.243  -33.126 1.00 13.39 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.246 -10.107 -33.099 1.00 14.07 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.665 -11.581 -33.083 1.00 14.39 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.697 -11.974 -32.460 1.00 15.16 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.401 -9.742  -31.880 1.00 16.24 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.706 -8.393  -31.964 1.00 18.04 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.667 -7.227  -31.848 1.00 18.44 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.633 -7.293  -31.093 1.00 16.88 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.418 -6.146  -32.556 1.00 20.41 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.920 -12.429 -33.787 1.00 14.89 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.070 -13.889 -33.804 1.00 15.05 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.807 -14.527 -33.249 1.00 13.60 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.705 -14.077 -33.582 1.00 16.64 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.227 -14.471 -35.225 1.00 18.87 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.589 -14.313 -35.904 1.00 27.98 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.143 -12.919 -35.732 1.00 28.85 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -22.968 -12.134 -36.658 1.00 32.72 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.689 -12.564 -37.681 1.00 30.38 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.371 -11.671 -38.382 1.00 33.97 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.704 -13.832 -38.038 1.00 30.82 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.957 -15.446 -32.337 1.00 12.26 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.792 -16.119 -31.700 1.00 12.87 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.848 -17.614 -31.959 1.00 12.00 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.861 -18.262 -31.724 1.00 12.35 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.844 -15.860 -30.180 1.00 14.86 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.850 -14.385 -29.812 1.00 16.38 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.824 -13.582 -30.285 1.00 19.47 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.837 -13.798 -29.055 1.00 23.54 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.753 -12.225 -30.010 1.00 21.52 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.753 -12.438 -28.740 1.00 19.40 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.748 -11.667 -29.264 1.00 20.44 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.732 -18.188 -32.431 0.25 12.36 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.728 -18.183 -32.422 0.25 12.42 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.635 -19.637 -32.748 0.25 13.13 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.593 -19.635 -32.708 0.25 13.21 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.412 -20.278 -32.067 0.25 13.01 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.317 -20.193 -32.084 0.25 13.39 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.253 -21.513 -32.186 0.25 12.82 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.909 -21.286 -32.469 0.25 12.43 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.671 -19.854 -34.254 0.25 13.64 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.565 -19.879 -34.178 0.25 13.59 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.017 -19.716 -34.752 0.25 14.53 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.518 -19.131 -34.739 0.25 14.47 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.633 -19.489 -31.315 0.25 12.34 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.678 -19.441 -31.199 0.25 13.36 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.427 -19.945 -30.571 0.25 13.21 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.405 -19.864 -30.578 0.25 14.90 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.111 -18.967 -29.430 0.25 13.58 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.013 -18.878 -29.484 0.25 14.45 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.726 -17.911 -29.388 0.25 13.66 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.433 -17.703 -29.572 0.25 14.32 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.234 -20.058 -31.515 0.25 13.41 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.321 -19.940 -31.632 0.25 15.90 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.782 -18.779 -31.930 0.25 13.60 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.174 -20.581 -31.109 0.25 18.88 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.179 -19.320 -28.544 1.00 14.92 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.574 -18.361 -27.613 1.00 15.55 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.425 -18.048 -26.385 1.00 12.67 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.427 -18.732 -26.113 1.00 14.51 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.914 -17.077 -25.666 1.00 12.66 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.492 -16.599 -24.409 1.00 13.08 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.922 -15.153 -24.652 1.00 13.34 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.136 -14.344 -25.146 1.00 14.89 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.462 -16.722 -23.289 1.00 15.24 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.062 -18.151 -22.949 1.00 15.34 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.917  -18.224 -21.903 1.00 18.09 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.586  -19.635 -21.473 1.00 21.07 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.536  -19.634 -20.423 1.00 24.08 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.129 -14.805 -24.228 1.00 12.30 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.743 -13.478 -24.438 1.00 12.06 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.411 -13.039 -23.141 1.00 12.16 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -15.994 -13.873 -22.439 1.00 12.27 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.849 -13.563 -25.479 1.00 12.85 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.407 -13.728 -26.910 1.00 13.84 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.683 -15.312 -27.436 1.00 15.64 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.888 -16.519 -26.982 1.00 16.06 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.380 -11.756 -22.846 1.00 11.86 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -15.986 -11.177 -21.624 1.00 11.55 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.601 -9.838  -21.992 1.00 12.53 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.975 -9.015  -22.718 1.00 12.75 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.936 -10.984 -20.529 1.00 12.96 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.454 -10.379 -19.252 1.00 12.32 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.192 -11.135 -18.359 1.00 12.33 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.265 -9.027  -18.966 1.00 13.02 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.709 -10.587 -17.181 1.00 13.54 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.794 -8.464  -17.816 1.00 12.32 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.494 -9.237  -16.919 1.00 12.97 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.020 -8.687  -15.786 1.00 14.78 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.802 -9.558  -21.508 1.00 10.83 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.399 -8.204  -21.600 1.00 11.11 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.294 -7.964  -20.391 1.00 11.37 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.633 -8.881  -19.658 1.00 11.84 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.140 -7.995  -22.948 1.00 10.86 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.302 -8.891  -23.206 1.00 10.64 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.629 -8.600  -23.019 1.00 10.79 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.299 -10.202 -23.762 1.00 11.32 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.423 -9.650  -23.399 1.00 10.92 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.626 -10.661 -23.859 1.00 11.54 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.274 -11.067 -24.171 1.00 13.07 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -21.975 -11.898 -24.365 1.00 11.96 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.602 -12.290 -24.710 1.00 15.01 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.926 -12.725 -24.760 1.00 13.78 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.691 -6.700  -20.221 1.00 10.99 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.538 -6.244  -19.098 1.00 10.87 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.744 -5.453  -19.585 1.00 10.32 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.660 -4.749  -20.568 1.00 11.24 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.744 -5.395  -18.105 1.00 13.24 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.670 -6.218  -17.392 1.00 15.44 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.816 -5.472  -16.389 1.00 18.24 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.007 -4.232  -16.253 1.00 23.80 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.957 -6.137  -15.704 1.00 17.15 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.840 -5.660  -18.882 1.00 10.61 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.127 -5.023  -19.208 1.00 10.26 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.684 -4.364  -17.964 1.00 10.09 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.803 -4.988  -16.892 1.00 11.48 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.135 -6.032  -19.771 1.00 10.22 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.381 -5.304  -20.215 1.00 11.57 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.513 -6.899  -20.848 1.00 11.50 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.122 -3.111  -18.123 1.00 10.48 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.798 -2.323  -17.071 1.00 11.75 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.287 -2.605  -17.113 1.00 9.98  ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.899 -2.464  -18.220 1.00 11.23 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.526 -0.815  -17.244 1.00 13.48 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.881 -0.007  -16.001 1.00 16.38 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -26.995 -0.020  -15.603 1.00 15.55 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -24.961 0.428   -15.291 1.00 20.43 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.861 -2.992  -15.979 1.00 10.53 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.302 -3.331  -15.821 1.00 11.14 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -29.991 -2.431  -14.763 1.00 11.17 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.057 -2.783  -14.274 1.00 11.88 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.451 -4.840  -15.469 1.00 10.90 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.903 -5.775  -16.582 1.00 11.00 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.824 -5.215  -14.137 1.00 11.47 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.354 -1.313  -14.426 1.00 11.81 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.870 -0.398  -13.378 1.00 12.93 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.358 -0.099  -13.595 1.00 12.39 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.768 0.282   -14.685 1.00 13.36 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.067 0.896   -13.391 1.00 13.59 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.679 0.639   -13.115 1.00 16.01 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.614 1.886   -12.381 1.00 16.35 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.071 -0.235  -12.493 1.00 15.06 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.508 0.073   -12.264 1.00 17.27 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.450 -0.712  -13.164 1.00 17.33 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.665 -0.435  -13.152 1.00 22.20 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.757 1.574   -12.321 1.00 24.71 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.573 2.200   -13.683 1.00 32.07 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.661 3.213   -13.972 1.00 35.23 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.407 4.253   -14.581 1.00 42.28 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.894 2.877   -13.599 1.00 38.61 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.018 -1.756  -13.845 1.00 12.83 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.961 -2.624  -14.564 1.00 11.49 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.643 -3.632  -13.652 1.00 11.04 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -34.994 -4.160  -12.692 1.00 12.55 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.230 -3.314  -15.707 1.00 11.76 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.798 -2.314  -16.804 1.00 12.07 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.282 -2.940  -18.076 1.00 12.00 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.354 -3.684  -18.847 1.00 11.12 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.555 -2.861  -19.152 1.00 10.29 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.878 -3.965  -13.961 1.00 9.94  ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.678 -4.975  -13.268 1.00 9.81  ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.617 -6.332  -13.964 1.00 9.81  ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -37.996 -7.333  -13.400 1.00 10.87 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.157 -4.555  -13.248 1.00 11.23 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.459 -3.298  -12.463 1.00 12.93 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.931 -2.872  -12.565 1.00 13.13 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.335 -2.043  -11.740 1.00 15.94 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.647 -3.399  -13.454 1.00 14.43 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.275 -6.378  -15.256 1.00 9.40  ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.264 -7.628  -16.028 1.00 9.69  ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.294 -7.484  -17.188 1.00 10.35 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.238 -6.422  -17.848 1.00 10.00 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.643 -7.930  -16.547 1.00 10.40 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.561 -8.568  -17.467 1.00 9.62  ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.583 -8.645  -18.592 1.00 9.15  ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.083 -10.074 -18.674 1.00 9.57  ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.183 -10.834 -17.696 1.00 9.82  ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.420 -7.676  -18.375 1.00 9.86  ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.749 -7.700  -17.041 1.00 9.82  ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.954 -6.864  -15.996 1.00 11.15 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.768 -8.637  -16.511 1.00 9.70  ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.178 -7.143  -14.925 1.00 10.51 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.459 -8.289  -15.191 1.00 10.31 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.136 -9.807  -17.018 1.00 10.70 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.526 -8.950  -14.399 1.00 10.37 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.240 -10.512 -16.225 1.00 11.31 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -29.927 -10.061 -14.933 1.00 11.15 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.543 -10.396 -19.834 1.00 9.21  ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.777 -11.656 -20.050 1.00 9.43  ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.413 -11.267 -20.621 1.00 9.16  ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.372 -10.396 -21.504 1.00 9.54  ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.448 -12.641 -21.005 1.00 11.46 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.942 -12.871 -20.891 1.00 12.50 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.383 -12.880 -19.784 1.00 16.01 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.614 -13.057 -21.941 1.00 14.70 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.350 -11.976 -20.268 1.00 8.19  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -28.986 -11.733 -20.795 1.00 8.67  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.272 -13.056 -20.971 1.00 8.61  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.418 -13.970 -20.173 1.00 8.77  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.162 -10.886 -19.838 1.00 9.03  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.521 -9.416  -19.711 1.00 10.37 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.699 -8.782  -18.595 1.00 10.84 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.339 -8.713  -21.024 1.00 10.57 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.441 -13.105 -22.005 1.00 7.90  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.484 -14.217 -22.140 1.00 8.41  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.960 -14.295 -23.557 1.00 8.01  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.570 -13.266 -24.155 1.00 8.73  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.883 -15.527 -24.067 0.25 7.91  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.949 -15.500 -24.104 0.25 8.53  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.502 -15.811 -25.478 0.25 7.81  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.373 -15.756 -25.448 0.25 8.74  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.502 -16.778 -26.093 0.25 8.33  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.269 -16.837 -26.077 0.25 9.01  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.251 -17.500 -25.399 0.25 8.66  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.823 -17.628 -25.322 0.25 9.38  ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.098 -16.419 -25.630 0.25 7.86  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.887 -16.144 -25.278 0.25 9.67  ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.045 -15.401 -25.251 0.25 7.55  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.731 -17.497 -24.602 0.25 9.82  ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.935 -17.706 -24.838 0.25 7.96  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.106 -16.071 -26.575 0.25 10.51 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.441 -16.850 -27.409 1.00 8.75  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.261 -17.833 -28.098 1.00 9.94  ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.598 -18.240 -29.408 1.00 9.61  ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.726 -17.531 -29.932 1.00 9.73  ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.669 -17.285 -28.364 1.00 11.05 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.753 -15.876 -29.505 1.00 11.22 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.034 -19.369 -29.931 0.25 9.92  ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.004 -19.392 -29.922 0.25 9.25  ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.608 -19.766 -31.293 0.25 10.46 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.558 -19.855 -31.267 0.25 9.34  ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.025 -18.711 -32.315 0.25 10.21 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.076 -18.888 -32.350 0.25 9.71  ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.066 -18.067 -32.206 0.25 9.41  ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.274 -18.475 -32.275 0.25 9.51  ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.263 -21.082 -31.690 0.25 11.94 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.093 -21.272 -31.511 0.25 9.81  ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.864 -22.205 -30.758 0.25 13.41 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.399 -22.022 -32.640 0.25 9.64  ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.247 -23.558 -31.308 0.25 15.27 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.984 -23.394 -32.907 0.25 10.15 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -26.951 -24.605 -30.335 0.25 15.04 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.833 -24.220 -31.738 0.25 9.85  ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.810 -25.527 -29.956 0.25 15.56 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.837 -24.789 -31.082 0.25 10.08 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.024 -25.545 -30.471 0.25 15.52 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.063 -24.740 -31.549 0.25 11.45 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.437 -26.437 -29.079 0.25 17.18 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.584 -25.450 -29.969 0.25 9.92  ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.245 -18.585 -33.365 1.00 10.86 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.647 -17.683 -34.459 1.00 12.11 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.945 -18.184 -35.083 1.00 12.92 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.683 -17.318 -35.617 1.00 16.13 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.541 -17.610 -35.514 1.00 13.39 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.154 -18.880 -36.219 1.00 16.59 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.626 -19.981 -35.840 1.00 18.59 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.367 -18.738 -37.205 1.00 19.61 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.279 -19.464 -35.053 1.00 11.58 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.459 -19.992 -35.768 1.00 14.13 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.708 -20.178 -34.888 1.00 12.59 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.607 -20.900 -35.263 1.00 13.74 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.079 -21.262 -36.428 1.00 16.88 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.611 -22.163 -35.505 1.00 16.55 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.753 -19.539 -33.713 1.00 11.44 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.980 -19.622 -32.888 1.00 11.37 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.200 -19.120 -33.677 1.00 11.33 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.096 -18.197 -34.507 1.00 12.27 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.873 -18.877 -31.547 1.00 11.25 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.863 -19.573 -30.638 1.00 11.18 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.647 -17.401 -31.691 1.00 10.94 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.320 -19.751 -33.375 1.00 12.65 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.673 -19.314 -33.820 1.00 13.83 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.873 -17.822 -33.515 1.00 12.99 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.565 -17.365 -32.427 1.00 13.84 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.679 -20.175 -33.061 1.00 16.16 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.157 -19.897 -33.364 1.00 18.99 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.081 -20.763 -32.514 1.00 21.93 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.693 -21.773 -31.894 1.00 22.84 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.357 -20.395 -32.439 1.00 23.88 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.470 -17.092 -34.456 1.00 12.42 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.737 -15.630 -34.338 1.00 11.97 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.238 -15.415 -34.198 1.00 13.00 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.630 -14.414 -33.584 1.00 13.27 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.212 -14.823 -35.502 1.00 13.08 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.747 -15.059 -35.832 1.00 12.41 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.824 -14.800 -34.611 1.00 12.80 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.456 -15.278 -34.933 1.00 13.62 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.560 -14.571 -35.581 1.00 13.30 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.826 -13.342 -35.958 1.00 15.22 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.391 -15.106 -35.877 1.00 15.88 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.084 -16.254 -34.793 1.00 12.70 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.542 -15.974 -34.926 1.00 13.30 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.351 -16.867 -34.030 1.00 14.80 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.988 -18.075 -33.922 1.00 16.94 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.979 -16.182 -36.375 1.00 14.00 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.177 -15.411 -37.389 1.00 15.54 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.163 -13.883 -37.163 1.00 15.89 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.395 -13.193 -38.254 1.00 17.00 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.324 -11.713 -38.078 1.00 18.03 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.419 -16.358 -33.443 1.00 15.37 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.291 -17.165 -32.603 1.00 15.52 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.793 -17.330 -31.187 1.00 17.14 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.812 -16.605 -30.765 1.00 17.03 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.432 -18.231 -30.474 1.00 17.22 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.186 -18.473 -29.045 1.00 19.10 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.125 -19.555 -28.870 1.00 18.16 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.027 -20.481 -29.694 1.00 19.43 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.494 -18.877 -28.350 1.00 21.87 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.475 -17.726 -28.356 1.00 29.36 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.858 -18.114 -27.921 1.00 37.90 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.260 -17.828 -26.796 1.00 47.54 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.582 -18.761 -28.828 1.00 43.15 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.257 -19.364 -27.870 1.00 15.29 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.212 -20.347 -27.526 1.00 15.28 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.708 -20.071 -26.119 1.00 15.01 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.859 -18.964 -25.596 1.00 16.23 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.043 -20.301 -28.515 1.00 15.15 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.424 -18.932 -28.661 1.00 14.44 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.409 -18.515 -27.799 1.00 15.00 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.782 -18.064 -29.686 1.00 14.87 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.801 -17.274 -27.938 1.00 14.44 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.163 -16.829 -29.835 1.00 14.31 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.174 -16.446 -28.958 1.00 14.80 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.153 -21.091 -25.470 0.25 15.46 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.124 -21.114 -25.533 0.25 14.76 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.519 -20.932 -24.138 0.25 15.88 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.464 -21.093 -24.207 0.25 14.96 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.006 -20.791 -24.312 0.25 14.30 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -36.982 -20.742 -24.383 0.25 13.67 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.408 -21.390 -25.233 0.25 13.92 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.377 -21.115 -25.433 0.25 13.09 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.829 -22.063 -23.213 0.25 18.48 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.632 -22.417 -23.510 0.25 16.21 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.463 -23.283 -23.825 0.25 21.26 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -39.995 -22.610 -23.136 0.25 18.04 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.414 -20.031 -23.407 1.00 13.06 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.969 -19.842 -23.345 1.00 13.23 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.370 -21.035 -22.646 1.00 13.16 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.457 -21.180 -21.433 1.00 14.93 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.601 -18.563 -22.604 1.00 13.83 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.108 -17.276 -23.235 1.00 15.28 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.737 -16.064 -22.375 1.00 15.85 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.582 -17.086 -24.641 1.00 16.91 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.683 -21.913 -23.377 1.00 12.09 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.100 -23.154 -22.840 1.00 12.12 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.893 -23.506 -23.688 1.00 10.80 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.893 -23.206 -24.891 1.00 10.73 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.061 -24.336 -22.838 1.00 14.39 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.421 -24.672 -24.159 1.00 17.83 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.964 -24.304 -23.181 1.00 10.84 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.862 -24.800 -23.998 1.00 12.87 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.371 -25.687 -25.140 1.00 12.28 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.818 -25.573 -26.270 1.00 12.42 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.961 -25.587 -23.029 1.00 12.84 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.260 -24.895 -21.688 1.00 13.65 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.737 -24.567 -21.759 1.00 12.59 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.450 -26.430 -24.949 1.00 13.20 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.023 -27.253 -26.045 1.00 15.92 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.424 -26.362 -27.226 1.00 15.30 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.391 -26.805 -28.393 1.00 16.07 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.199 -28.074 -25.523 1.00 19.73 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.843 -28.934 -24.333 1.00 29.24 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.217 -28.361 -22.965 1.00 34.67 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.403 -27.549 -22.362 1.00 23.60 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.323 -28.773 -22.474 1.00 43.44 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.885 -25.136 -26.992 1.00 12.94 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.288 -24.191 -28.052 1.00 12.87 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.133 -23.279 -28.441 1.00 11.19 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.325 -22.419 -29.306 1.00 12.20 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.509 -23.357 -27.623 1.00 14.13 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.796 -24.138 -27.586 1.00 16.18 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.891 -25.227 -28.191 1.00 18.32 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.750 -23.672 -26.788 1.00 17.29 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.929 -23.464 -27.929 1.00 9.97  ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.769 -22.677 -28.336 1.00 10.01 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.501 -21.395 -27.566 1.00 8.87  ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.831 -20.517 -28.055 1.00 9.95  ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.962 -21.346 -26.292 1.00 9.64  ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.748 -20.168 -25.411 1.00 9.06  ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.059 -20.528 -24.097 1.00 8.13  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.509 -21.520 -23.475 1.00 9.75  ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.097 -19.518 -25.060 1.00 9.69  ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.893 -18.994 -26.239 1.00 9.52  ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.796 -19.805 -26.905 1.00 10.09 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.755 -17.699 -26.696 1.00 10.04 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.532 -19.349 -28.003 1.00 10.86 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.481 -17.247 -27.778 1.00 10.76 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.373 -18.067 -28.405 1.00 10.35 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.117 -19.701 -23.685 1.00 8.03  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.436 -19.796 -22.374 1.00 8.37  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.593 -18.445 -21.699 1.00 7.91  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.855 -17.519 -22.002 1.00 8.95  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.969 -20.247 -22.515 1.00 8.60  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.879 -21.624 -23.115 1.00 8.46  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.786 -22.819 -22.472 1.00 10.14 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.907 -21.960 -24.527 1.00 9.09  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.828 -23.865 -23.371 1.00 10.31 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.881 -23.368 -24.636 1.00 10.06 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.973 -21.205 -25.702 1.00 9.63  ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.963 -24.007 -25.893 1.00 11.00 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.018 -21.843 -26.930 1.00 11.14 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.050 -23.207 -26.997 1.00 11.57 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.576 -18.360 -20.795 1.00 8.33  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.099 -17.053 -20.322 1.00 8.46  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.412 -17.121 -18.815 1.00 8.07  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.698 -18.189 -18.280 1.00 8.68  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.346 -16.593 -21.091 1.00 8.61  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.415 -17.494 -20.856 1.00 10.30 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.076 -16.401 -22.565 1.00 9.08  ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.469 -15.937 -18.228 1.00 8.35  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.105 -15.715 -16.888 1.00 8.53  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.123 -14.586 -17.072 1.00 9.07  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.041 -13.806 -18.064 1.00 9.20  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.085 -15.404 -15.764 1.00 8.91  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.376 -14.068 -15.955 1.00 9.92  ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.082 -16.547 -15.666 1.00 9.49  ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.553 -13.586 -14.759 1.00 10.41 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -31.975 -14.437 -16.081 1.00 8.88  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -32.981 -13.369 -16.131 1.00 9.20  ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.376 -12.906 -14.757 1.00 9.54  ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.227 -13.596 -13.718 1.00 10.00 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.177 -13.780 -16.934 1.00 11.83 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.953 -14.920 -16.431 1.00 13.66 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.815 -14.934 -15.374 1.00 13.83 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.069 -16.180 -17.080 1.00 14.01 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.475 -16.126 -15.343 1.00 16.59 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.045 -16.914 -16.371 1.00 14.79 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.481 -16.740 -18.204 1.00 15.65 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.404 -18.217 -16.717 1.00 17.88 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.864 -18.003 -18.561 1.00 17.30 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.797 -18.716 -17.838 1.00 16.67 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.004 -11.715 -14.754 1.00 9.21  ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.786 -11.162 -13.632 1.00 9.61  ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.236 -11.124 -14.054 1.00 9.52  ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.540 -10.638 -15.142 1.00 9.79  ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.314 -9.763  -13.337 1.00 10.00 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.142 -8.982  -12.309 1.00 10.80 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.147 -9.657  -10.928 1.00 10.83 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.681 -7.551  -12.195 1.00 12.15 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.124 -11.583 -13.171 1.00 10.90 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.581 -11.577 -13.405 1.00 11.90 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.279 -11.626 -12.057 1.00 13.64 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -38.972 -12.509 -11.236 1.00 13.91 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.954 -12.802 -14.226 1.00 15.84 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.408 -13.022 -14.346 1.00 18.64 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.185 -14.027 -13.824 1.00 18.79 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.252 -12.212 -15.156 1.00 18.63 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.468 -13.845 -14.231 1.00 19.69 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.546 -12.757 -15.053 1.00 17.14 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.052 -11.086 -15.961 1.00 17.88 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.645 -12.223 -15.718 1.00 22.07 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.148 -10.530 -16.586 1.00 23.15 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.428 -11.072 -16.449 1.00 21.78 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.159 -10.642 -11.789 1.00 12.54 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.001 -10.674 -10.550 1.00 12.53 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.111 -10.864 -9.353  1.00 14.26 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.471 -11.708 -8.461  1.00 15.69 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.113 -11.698 -10.709 1.00 14.32 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.012 -11.378 -11.883 1.00 15.56 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.289 -12.178 -11.945 1.00 16.81 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.232 -11.815 -12.666 1.00 20.47 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.350 -13.253 -11.177 1.00 16.52 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.095 -10.056 -9.232  1.00 14.55 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.291 -9.953  -8.013  1.00 18.84 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.488 -11.242 -7.730  1.00 19.56 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.893 -11.310 -6.630  1.00 27.32 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.252 -9.652  -6.855  1.00 22.49 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.602 -9.025  -5.671  1.00 30.36 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.669 -8.204  -5.853  1.00 34.38 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.085 -9.335  -4.553  1.00 40.72 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.328 -12.153 -8.687  1.00 14.43 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.408 -13.316 -8.550  1.00 16.59 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.511 -13.420 -9.779  1.00 13.70 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.893 -13.088 -10.941 1.00 13.75 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.183 -14.542 -8.196  1.00 20.03 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.873 -15.054 -9.291  1.00 28.85 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.325 -13.931 -9.542  1.00 11.61 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.307 -14.227 -10.585 1.00 11.23 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.285 -15.716 -10.852 1.00 10.69 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.296 -16.523 -9.897  1.00 11.49 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.957 -13.691 -10.153 1.00 11.51 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.896 -12.195 -9.925  1.00 12.10 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.153 -11.656 -8.671  1.00 12.32 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.530 -11.340 -10.940 1.00 11.48 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.051 -10.284 -8.453  1.00 13.04 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.459 -9.972  -10.741 1.00 11.71 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.697 -9.449  -9.485  1.00 11.91 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.673 -8.092  -9.241  1.00 13.34 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.273 -16.109 -12.133 0.25 10.45 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.266 -16.085 -12.138 0.25 10.49 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.260 -17.546 -12.522 0.25 10.84 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.271 -17.502 -12.582 0.25 10.92 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.344 -17.767 -13.728 0.25 9.49  ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.204 -17.699 -13.666 0.25 9.37  ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.268 -16.916 -14.606 0.25 9.49  ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.825 -16.728 -14.363 0.25 8.73  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.668 -18.051 -12.826 0.25 12.10 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.652 -17.911 -13.095 0.25 12.45 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.646 -17.921 -11.659 0.25 14.10 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.775 -17.794 -12.065 0.25 14.94 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.068 -18.292 -12.038 0.25 15.69 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.912 -18.988 -11.129 0.25 16.01 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.484 -17.955 -13.159 0.25 18.66 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.475 -20.093 -11.504 0.25 20.48 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.758 -18.926 -11.215 0.25 16.24 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.486 -18.822 -10.047 0.25 21.24 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.704 -18.933 -13.772 1.00 9.66  ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.932 -19.368 -14.945 1.00 9.79  ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.871 -20.108 -15.873 1.00 9.67  ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.743 -20.911 -15.464 1.00 10.16 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.769 -20.266 -14.567 1.00 10.00 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.710 -19.861 -17.183 1.00 10.11 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.519 -20.444 -18.261 1.00 11.03 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.145 -21.870 -18.573 1.00 11.57 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.859 -22.225 -19.695 1.00 13.59 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.100 -22.763 -17.609 1.00 13.35 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.111 -24.215 -17.817 1.00 14.95 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.535 -24.691 -18.072 1.00 14.86 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.444 -23.893 -17.900 1.00 16.71 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.504 -24.828 -16.576 1.00 12.56 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.198 -24.379 -15.385 1.00 12.73 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.059 -24.516 -16.392 1.00 13.91 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.726 -25.976 -18.398 1.00 18.23 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.083 -26.526 -18.564 1.00 21.60 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.242 -27.724 -17.627 1.00 23.25 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.573 -28.747 -17.788 1.00 24.67 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.371 -26.855 -20.022 1.00 25.69 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.700 -27.373 -20.157 1.00 29.35 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.004 -27.578 -16.523 1.00 20.01 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.692 -26.352 -16.139 1.00 20.27 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.718 -25.337 -15.497 1.00 16.34 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.576 -25.652 -15.232 1.00 15.60 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.721 -26.830 -15.122 1.00 23.86 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.006 -27.947 -14.427 1.00 22.67 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.172 -28.635 -15.501 1.00 22.80 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.179 -24.112 -15.307 1.00 15.17 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.331 -22.998 -14.827 1.00 14.44 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.786 -23.273 -13.410 1.00 12.35 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.415 -24.014 -12.627 1.00 14.39 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.038 -21.640 -14.916 1.00 18.28 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.160 -21.425 -13.930 1.00 26.59 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.519 -21.657 -14.537 1.00 36.82 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.718 -22.543 -15.376 1.00 43.43 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.481 -20.881 -14.062 1.00 44.08 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.662 -22.670 -13.117 1.00 10.93 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.941 -22.843 -11.845 1.00 11.01 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -32.969 -21.543 -11.062 1.00 10.75 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.499 -20.519 -11.547 1.00 12.12 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.505 -23.330 -12.110 1.00 10.59 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.562 -24.563 -12.819 1.00 12.19 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.763 -23.519 -10.801 1.00 11.69 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.338 -21.608 -9.789  1.00 11.46 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.308 -20.464 -8.859  1.00 12.25 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.885 -19.977 -8.615  1.00 11.61 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -30.983 -20.849 -8.351  1.00 13.89 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -33.960 -20.913 -7.536  1.00 15.82 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.321 -21.226 -7.805  1.00 18.72 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.771 -19.882 -6.443  1.00 19.11 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.615 -18.695 -8.727  1.00 11.05 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.325 -18.107 -8.402  1.00 10.97 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.407 -17.518 -6.990  1.00 12.76 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.522 -17.242 -6.500  1.00 16.65 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.885 -17.048 -9.428  1.00 10.69 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.817 -17.557 -10.870 1.00 10.13 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.556 -16.423 -11.855 1.00 11.48 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.768 -18.662 -11.007 1.00 11.20 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.272 -17.398 -6.341  1.00 12.01 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.145 -16.928 -4.933  1.00 12.63 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.310 -15.666 -4.967  1.00 14.25 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.052 -15.725 -5.044  1.00 19.75 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.496 -18.021 -4.060  1.00 13.60 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.253 -19.306 -4.045  1.00 14.57 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.940 -20.383 -4.872  1.00 16.68 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.312 -19.698 -3.338  1.00 16.45 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.807 -21.354 -4.660  1.00 17.45 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.637 -20.993 -3.696  1.00 16.42 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.940 -14.516 -5.057  1.00 17.05 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.247 -13.205 -5.165  1.00 19.04 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.674 -12.352 -3.935  1.00 18.91 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.871 -12.169 -3.708  1.00 25.73 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.601 -12.550 -6.523  1.00 19.89 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.172 -13.430 -7.718  1.00 18.49 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.034 -11.139 -6.571  1.00 25.77 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.339 -12.811 -9.102  1.00 18.69 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.715 -11.992 -3.110  1.00 22.72 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.972 -11.209 -1.864  1.00 24.07 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.924 -9.719  -2.203  1.00 22.26 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.738 -8.950  -1.621  1.00 23.05 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.913 -11.559 -0.811  1.00 27.60 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -27.059 -10.818 0.525   1.00 36.05 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.396 -11.015 1.214   1.00 40.56 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -29.065 -12.038 1.063   1.00 48.72 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.808 -10.015 1.983   1.00 43.31 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.109 -9.343  -3.189  1.00 19.66 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.912 -7.915  -3.605  1.00 17.73 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.474 -7.721  -5.013  1.00 17.31 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.824 -8.183  -5.970  1.00 15.81 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.432 -7.528  -3.569  1.00 19.46 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.180 -6.096  -4.075  1.00 20.48 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.875 -7.677  -2.156  1.00 22.14 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.701 -7.191  -5.213  1.00 15.52 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.252 -7.082  -6.569  1.00 15.95 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.265 -6.384  -7.471  1.00 15.47 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.758 -5.318  -7.192  1.00 15.95 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.513 -6.222  -6.356  1.00 18.33 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.942 -6.634  -4.944  1.00 19.33 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.656 -6.718  -4.179  1.00 18.64 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.871 -6.989  -8.606  1.00 13.57 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.871 -6.399  -9.461  1.00 13.32 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.387 -5.188  -10.230 1.00 12.79 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.474 -5.235  -10.769 1.00 13.90 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.466 -7.572  -10.391 1.00 13.98 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.608 -8.501  -10.337 1.00 16.27 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.187 -8.386  -8.959  1.00 14.28 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.513 -4.208  -10.368 1.00 12.87 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.697 -3.099  -11.346 1.00 13.27 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.909 -3.337  -12.628 1.00 12.68 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.213 -2.745  -13.664 1.00 12.05 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.308 -1.751  -10.770 1.00 16.61 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.296 -1.292  -9.316  1.00 23.84 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.827 -4.132  -12.579 0.25 12.52 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.966 -4.277  -12.555 0.25 12.85 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.087 -4.555  -13.802 0.25 13.02 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.057 -4.602  -13.671 0.25 13.95 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.713 -6.037  -13.683 0.25 11.93 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.816 -6.113  -13.637 0.25 12.42 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.280 -6.478  -12.593 0.25 11.07 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.708 -6.690  -12.533 0.25 11.44 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.805 -3.765  -14.098 0.25 14.18 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.782 -3.767  -13.565 0.25 16.28 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -22.988 -2.272  -14.332 0.25 15.53 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.007 -2.278  -13.774 0.25 18.29 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.925 -1.512  -13.031 0.25 17.82 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.771 -1.548  -14.238 0.25 20.64 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.204 -1.892  -12.109 0.25 18.38 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.703 -2.132  -14.411 0.25 25.56 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.707 -0.443  -12.936 0.25 18.20 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.913 -0.254  -14.441 0.25 23.27 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.854 -6.734  -14.815 1.00 11.58 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.663 -8.198  -14.971 1.00 11.26 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.437 -8.350  -15.880 1.00 11.65 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.384 -7.770  -16.988 1.00 11.22 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.906 -8.842  -15.604 1.00 12.13 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.214 -8.656  -14.812 1.00 14.79 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.657 -10.328 -15.893 1.00 11.95 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.250 -9.405  -13.553 1.00 14.43 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.498 -9.227  -15.517 1.00 11.11 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.409 -9.690  -16.387 1.00 11.05 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.702 -11.064 -16.959 1.00 10.15 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.271 -11.915 -16.285 1.00 10.91 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.450 -11.213 -18.262 1.00 10.62 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.722 -12.472 -19.008 1.00 10.52 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.403 -12.955 -19.592 1.00 11.02 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.709 -12.197 -20.295 1.00 10.96 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.761 -12.223 -20.122 1.00 11.55 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.047 -11.687 -19.501 1.00 12.52 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.027 -13.513 -20.912 1.00 12.49 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.063 -11.326 -20.486 1.00 15.43 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.038 -14.179 -19.255 1.00 10.41 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.796 -14.829 -19.725 1.00 10.22 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.161 -16.064 -20.513 1.00 10.29 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.923 -16.912 -20.055 1.00 10.51 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.943 -15.238 -18.540 1.00 11.46 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.699 -15.992 -18.911 1.00 12.45 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.679 -15.368 -19.585 1.00 13.97 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.527 -17.310 -18.553 1.00 14.14 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.520 -16.074 -19.922 1.00 15.88 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.379 -18.028 -18.892 1.00 15.89 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.381 -17.390 -19.573 1.00 15.03 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.593 -16.186 -21.716 1.00 10.66 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.731 -17.375 -22.585 1.00 10.72 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.351 -17.965 -22.863 1.00 9.63  ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.465 -17.249 -23.325 1.00 11.69 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.465 -17.042 -23.883 1.00 11.48 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.628 -18.281 -24.748 1.00 13.66 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.828 -16.396 -23.593 1.00 13.06 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.213 -19.243 -22.566 1.00 10.36 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.026 -20.037 -23.001 1.00 11.94 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.538 -21.045 -24.017 1.00 10.34 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.160 -22.062 -23.653 1.00 10.89 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.297 -20.654 -21.832 1.00 12.71 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.032 -21.432 -22.207 1.00 15.10 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.919 -21.871 -23.371 1.00 15.34 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.226 -21.564 -21.249 1.00 18.92 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.311 -20.758 -25.303 1.00 11.07 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.894 -21.591 -26.376 1.00 11.55 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.392 -23.040 -26.300 1.00 12.45 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.139 -23.976 -26.275 1.00 13.77 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.656 -20.970 -27.771 1.00 11.57 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.580 -21.572 -28.808 1.00 12.00 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.388 -22.855 -29.311 1.00 12.09 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.720 -20.892 -29.206 1.00 11.79 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.282 -23.442 -30.187 1.00 12.21 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.626 -21.459 -30.086 1.00 11.70 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.420 -22.736 -30.582 1.00 11.61 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.318 -23.338 -31.422 1.00 12.11 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.093 -23.165 -26.191 1.00 14.33 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.453 -24.511 -26.229 1.00 15.02 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.862 -25.328 -25.020 1.00 14.43 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.203 -26.516 -25.186 1.00 16.45 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.942 -24.389 -26.314 1.00 16.73 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.481 -24.212 -27.775 1.00 24.07 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.868 -22.912 -28.394 1.00 26.11 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.097 -22.871 -29.565 1.00 25.44 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.913 -21.908 -27.644 1.00 28.79 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.922 -24.727 -23.836 1.00 13.24 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.294 -25.427 -22.610 1.00 13.99 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.794 -25.712 -22.542 1.00 14.35 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.195 -26.549 -21.747 1.00 16.26 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.864 -24.641 -21.399 1.00 16.05 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.635 -25.050 -23.323 1.00 12.07 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.088 -25.183 -23.238 1.00 11.09 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.642 -24.565 -21.942 1.00 10.09 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.421 -25.246 -21.257 1.00 11.34 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.223 -23.346 -21.642 1.00 10.91 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.624 -22.652 -20.375 1.00 10.81 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.210 -21.286 -20.712 1.00 10.44 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.619 -20.508 -21.483 1.00 10.74 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.386 -22.475 -19.486 1.00 11.63 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.649 -21.486 -18.328 1.00 12.79 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.935 -23.843 -18.987 1.00 12.99 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.303 -20.968 -20.023 1.00 9.95  ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.862 -19.583 -19.958 1.00 9.40  ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.066 -19.225 -18.475 1.00 9.04  ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.838 -19.956 -17.800 1.00 9.95  ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.189 -19.470 -20.735 1.00 9.12  ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.689 -18.028 -20.726 1.00 9.74  ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.070 -19.993 -22.150 1.00 9.70  ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.418 -18.182 -18.012 1.00 8.79  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.526 -17.779 -16.603 1.00 9.95  ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -20.999 -16.329 -16.498 1.00 9.54  ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.684 -15.509 -17.341 1.00 10.31 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.184 -17.960 -15.886 1.00 9.55  ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.833 -19.349 -15.786 1.00 11.35 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.658 -16.061 -15.379 1.00 8.83  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.292 -14.774 -15.074 1.00 9.44  ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.761 -14.307 -13.736 1.00 9.16  ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.770 -15.080 -12.743 1.00 9.62  ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.838 -14.871 -15.072 1.00 9.42  ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.412 -15.274 -16.412 1.00 8.96  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.473 -16.621 -16.792 1.00 9.28  ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.931 -14.303 -17.261 1.00 9.14  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -24.960 -16.962 -18.046 1.00 9.26  ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.410 -14.681 -18.515 1.00 9.13  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.471 -16.007 -18.874 1.00 9.01  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.455 -13.021 -13.653 1.00 9.28  ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.802 -12.412 -12.470 1.00 10.95 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.580 -11.164 -12.064 1.00 11.29 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.049 -10.344 -12.881 1.00 11.42 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.332 -12.086 -12.735 1.00 11.21 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.512 -13.314 -13.019 1.00 11.75 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.011 -14.117 -12.008 1.00 12.19 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.337 -13.765 -14.320 1.00 12.58 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.357 -15.310 -12.278 1.00 13.19 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.647 -14.928 -14.604 1.00 13.16 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.128 -15.700 -13.580 1.00 13.27 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.481 -16.896 -13.834 1.00 15.45 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.598 -10.929 -10.761 1.00 12.29 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.300 -9.775  -10.126 1.00 11.89 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.273 -8.668  -9.955  1.00 11.82 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.513 -8.684  -8.931  1.00 14.17 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.914 -10.207 -8.804  1.00 11.98 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.746 -9.104  -8.154  1.00 12.40 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.567 -7.931  -8.503  1.00 14.16 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.633 -9.500  -7.296  1.00 13.91 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.203 -7.677  -10.837 1.00 13.35 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.136 -6.650  -10.780 1.00 14.55 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.399 -5.762  -9.550  1.00 15.81 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.407 -5.291  -8.941  1.00 17.71 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.102 -5.863  -12.094 1.00 15.33 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.914 -6.779  -13.316 1.00 16.17 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.078 -4.735  -12.081 1.00 17.31 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.900 -7.876  -13.106 1.00 19.07 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.639 -5.551  -9.163  1.00 15.30 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.024 -4.698  -7.991  1.00 15.72 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.459 -5.334  -6.724  1.00 19.02 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.031 -4.577  -5.819  1.00 22.21 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.553 -4.561  -7.944  1.00 15.00 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -23.978 -4.102  -9.223  1.00 15.63 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -23.969 -3.574  -6.867  1.00 17.11 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.403 -6.658  -6.635  1.00 17.30 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.880 -7.408  -5.454  1.00 18.35 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.464 -7.949  -5.723  1.00 18.48 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.268 -9.154  -5.567  1.00 19.58 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.907 -8.439  -5.061  1.00 18.11 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.530 -9.251  -3.843  1.00 21.88 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.072 -8.636  -2.861  1.00 24.22 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.687 -10.484 -3.907  1.00 23.14 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.530 -7.113  -6.139  1.00 20.42 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.081 -7.451  -6.205  1.00 23.70 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.899 -8.648  -7.151  1.00 22.42 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -15.995 -9.459  -6.951  1.00 25.03 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.486 -7.812  -4.826  1.00 29.15 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.798 -6.907  -3.668  1.00 37.09 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.149 -5.697  -3.467  1.00 42.76 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.624 -7.073  -2.609  1.00 40.98 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.598 -5.133  -2.359  1.00 46.33 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.500 -5.962  -1.806  1.00 42.83 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.749 -8.774  -8.171  1.00 18.77 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.559 -9.812  -9.204  1.00 16.48 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.957 -11.197 -8.745  1.00 14.62 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.442 -12.127 -9.349  1.00 15.49 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.780 -11.358 -7.738  1.00 13.80 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.146 -12.693 -7.234  1.00 12.59 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.839 -13.522 -8.325  1.00 12.91 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.643 -12.988 -9.135  1.00 12.80 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -19.995 -12.573 -6.000  1.00 13.98 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.192 -11.826 -6.194  1.00 14.77 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.647 -14.808 -8.303  1.00 11.43 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.288 -15.717 -9.279  1.00 10.63 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.784 -15.764 -9.050  1.00 10.35 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.289 -15.975 -7.926  1.00 11.32 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.676 -17.117 -9.125  1.00 11.14 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.237 -18.173 -10.104 1.00 11.14 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.848 -17.887 -11.543 1.00 11.39 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.684 -19.575 -9.730  1.00 12.48 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.545 -15.632 -10.148 1.00 9.88  ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -23.996 -15.842 -10.172 1.00 10.14 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.338 -17.266 -10.620 1.00 9.50  ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.149 -17.971 -10.048 1.00 9.61  ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.685 -14.769 -11.053 1.00 10.52 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.510 -13.371 -10.472 1.00 11.69 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.154 -15.116 -11.256 1.00 10.67 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.952 -12.259 -11.400 1.00 11.63 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.775 -17.679 -11.772 1.00 9.27  ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.167 -18.984 -12.356 1.00 9.13  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.141 -19.394 -13.411 1.00 9.04  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.637 -18.511 -14.145 1.00 9.69  ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.546 -18.920 -13.087 1.00 9.19  ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.088 -20.277 -13.417 1.00 8.86  ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.722 -21.070 -12.470 1.00 9.68  ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.954 -20.789 -14.707 1.00 9.25  ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.158 -22.340 -12.782 1.00 10.13 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.399 -22.045 -15.021 1.00 10.22 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.990 -22.825 -14.062 1.00 10.13 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.375 -24.118 -14.320 1.00 12.49 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.839 -20.689 -13.509 1.00 8.87  ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.026 -21.291 -14.586 1.00 9.46  ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.791 -22.402 -15.260 1.00 9.20  ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.163 -23.384 -14.638 1.00 10.35 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.680 -21.823 -14.035 1.00 10.01 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.905 -20.700 -13.621 1.00 10.76 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.929 -22.651 -15.065 1.00 11.44 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.020 -22.233 -16.577 1.00 9.51  ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.397 -23.342 -17.489 1.00 9.37  ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.085 -24.020 -17.914 1.00 9.75  ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.226 -23.376 -18.484 1.00 10.56 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.069 -22.835 -18.759 1.00 10.06 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.434 -22.220 -18.580 1.00 8.53  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.613 -20.861 -18.354 1.00 8.61  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.560 -22.972 -18.783 1.00 8.76  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.887 -20.317 -18.268 1.00 9.12  ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.847 -22.427 -18.700 1.00 9.18  ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.990 -21.089 -18.458 1.00 8.79  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -21.993 -25.317 -17.631 1.00 11.11 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.829 -26.089 -18.091 1.00 12.36 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.343 -27.240 -18.938 1.00 11.72 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.529 -27.516 -18.994 1.00 13.60 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.013 -26.509 -16.912 1.00 13.21 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.682 -27.469 -16.156 1.00 17.41 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.407 -27.894 -19.652 1.00 13.80 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.762 -28.989 -20.599 1.00 15.58 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.717 -28.437 -21.655 1.00 13.48 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.643 -29.163 -22.122 1.00 15.32 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.401 -30.188 -19.898 1.00 18.67 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.692 -30.682 -18.649 1.00 24.03 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.318 -31.999 -18.244 1.00 34.18 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.438 -31.982 -17.667 1.00 37.66 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.770 -33.039 -18.660 1.00 41.44 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.499 -27.183 -22.038 1.00 12.16 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.364 -26.555 -23.070 1.00 11.58 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.119 -27.210 -24.438 1.00 12.52 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.918 -27.419 -24.772 1.00 14.00 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.162 -25.043 -23.208 1.00 10.77 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.598 -24.117 -21.715 1.00 11.74 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.168 -27.440 -25.181 1.00 12.07 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.027 -27.942 -26.570 1.00 13.32 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.478 -26.792 -27.464 1.00 11.80 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.653 -26.710 -27.828 1.00 13.96 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.772 -29.295 -26.715 1.00 15.80 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.648 -29.756 -28.167 1.00 16.37 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.254 -30.353 -25.740 1.00 17.34 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.601 -25.862 -27.787 1.00 11.43 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.935 -24.631 -28.538 1.00 11.99 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.501 -25.000 -29.910 1.00 12.47 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.509 -24.412 -30.335 1.00 13.95 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.757 -23.674 -28.559 1.00 11.25 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.305 -23.188 -27.189 1.00 10.42 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.251 -22.670 -26.286 1.00 10.34 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.969 -23.178 -26.814 1.00 11.87 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.856 -22.210 -25.031 1.00 10.73 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.576 -22.715 -25.567 1.00 11.60 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.516 -22.189 -24.697 1.00 11.34 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.816 -25.892 -30.634 1.00 12.36 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.275 -26.453 -31.924 1.00 12.53 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.424 -25.371 -32.977 1.00 12.10 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.226 -25.591 -33.946 1.00 13.64 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.509 -27.239 -31.749 1.00 13.29 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.642 -24.336 -32.918 1.00 12.19 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.692 -23.245 -33.895 1.00 12.95 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.953 -22.028 -33.406 1.00 12.20 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.534 -21.986 -32.207 1.00 12.03 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.829 -21.002 -34.236 1.00 11.31 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.354 -19.701 -33.791 1.00 11.21 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.299 -19.142 -32.705 1.00 11.17 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.513 -19.361 -32.799 1.00 11.62 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.349 -18.800 -35.032 1.00 11.70 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.486 -19.832 -36.182 1.00 12.08 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.261 -20.970 -35.649 1.00 11.48 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.716 -18.390 -31.796 1.00 10.43 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.488 -17.716 -30.700 1.00 9.98  ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.592 -16.221 -30.941 1.00 10.55 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.657 -15.592 -31.426 1.00 12.13 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.812 -17.958 -29.340 1.00 10.65 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.853 -19.385 -28.797 1.00 11.74 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.001 -19.452 -27.550 1.00 11.64 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.279 -19.863 -28.559 1.00 12.04 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.732 -15.647 -30.547 1.00 10.51 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.950 -14.198 -30.532 1.00 10.12 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.371 -13.721 -29.146 1.00 9.00  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.130 -14.405 -28.477 1.00 9.54  ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.025 -13.841 -31.564 1.00 11.58 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.555 -14.183 -32.992 1.00 13.23 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.497 -13.829 -34.120 1.00 14.43 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.544 -12.386 -34.204 1.00 14.90 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.227 -11.765 -35.152 1.00 15.16 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.847 -12.457 -36.076 1.00 15.72 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.278 -10.457 -35.135 1.00 14.61 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.929 -12.534 -28.726 1.00 8.79  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.477 -11.940 -27.499 1.00 8.74  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -25.992 -11.761 -27.653 1.00 8.72  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.485 -11.425 -28.714 1.00 9.64  ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.786 -10.590 -27.374 1.00 9.20  ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.483 -10.763 -28.209 1.00 10.68 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.924 -11.652 -29.348 1.00 10.75 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.710 -12.052 -26.569 1.00 8.46  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.181 -12.080 -26.546 1.00 8.68  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.695 -11.134 -25.456 1.00 7.77  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.207 -11.125 -24.316 1.00 8.52  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.676 -13.498 -26.292 1.00 9.04  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.177 -13.586 -26.098 1.00 9.23  ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.023 -13.578 -27.197 1.00 10.05 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.736 -13.623 -24.836 1.00 10.40 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.396 -13.641 -27.030 1.00 10.04 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.108 -13.626 -24.677 1.00 10.37 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.924 -13.663 -25.771 1.00 10.71 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.769 -10.387 -25.787 1.00 7.91  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.379 -9.366  -24.898 1.00 8.24  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.910 -9.422  -25.006 1.00 8.83  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.420 -9.477  -26.130 1.00 9.23  ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.927 -7.945  -25.265 1.00 8.75  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.424 -7.799  -25.389 1.00 8.79  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.777 -8.093  -26.584 1.00 8.76  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.651 -7.340  -24.333 1.00 10.11 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.382 -8.030  -26.682 1.00 9.29  ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.276 -7.232  -24.448 1.00 10.60 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.648 -7.542  -25.638 1.00 10.71 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.580 -9.232  -23.881 1.00 9.02  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.034 -8.988  -23.845 1.00 8.67  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.240 -7.855  -22.868 1.00 8.15  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.933 -8.003  -21.667 1.00 8.92  ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.813 -10.224 -23.413 1.00 8.96  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.312 -10.030 -23.496 1.00 10.01 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.822 -8.965  -23.814 1.00 11.15 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.049 -11.102 -23.290 1.00 11.38 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.770 -6.707  -23.315 1.00 8.45  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.030 -5.544  -22.414 1.00 9.33  ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.284 -5.787  -21.581 1.00 9.25  ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.532 -4.968  -20.656 1.00 10.09 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.132 -4.201  -23.170 1.00 9.72  ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.837 -3.849  -23.860 1.00 11.04 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.291 -4.179  -24.145 1.00 10.31 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.101 -6.794  -21.925 1.00 9.73  ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.394 -7.055  -21.252 1.00 10.20 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.475 -6.091  -21.666 1.00 10.16 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.262 -5.055  -22.241 1.00 9.89  ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.698 -6.552  -21.431 1.00 10.93 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.912 -5.724  -21.609 1.00 10.43 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -41.954 -4.643  -20.552 1.00 10.28 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.249 -4.698  -19.539 1.00 10.24 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.192 -6.568  -21.640 1.00 11.69 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.311 -7.457  -22.855 1.00 12.39 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.682 -6.964  -24.088 1.00 14.78 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.058 -8.808  -22.737 1.00 13.84 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.762 -7.818  -25.195 1.00 15.28 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.142 -9.651  -23.842 1.00 15.44 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.540 -9.154  -25.030 1.00 15.08 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.819 -3.671  -20.792 1.00 10.91 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.022 -2.569  -19.819 1.00 10.16 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.538 -2.407  -19.616 1.00 10.01 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.057 -1.270  -19.655 1.00 11.95 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.359 -1.292  -20.289 1.00 10.87 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.397 -0.207  -19.251 1.00 10.67 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.453 -0.449  -18.050 1.00 10.68 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.345 1.026   -19.716 1.00 12.18 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.215 -3.451  -19.232 1.00 11.00 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.655 -3.390  -18.845 1.00 10.50 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.801 -2.602  -17.561 1.00 11.07 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.877 -1.963  -17.350 1.00 12.09 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.225 -4.801  -18.665 1.00 11.61 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.318 -5.638  -19.913 1.00 14.12 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.278 -5.386  -20.889 1.00 17.69 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.474 -6.719  -20.072 1.00 16.64 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.316 -6.128  -22.069 1.00 19.11 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.521 -7.483  -21.246 1.00 16.75 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.438 -7.176  -22.219 1.00 18.67 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.546 -7.960  -23.354 1.00 24.07 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.847 -2.618  -16.648 1.00 10.44 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -45.937 -2.024  -15.295 1.00 11.73 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.660 -0.513  -15.321 1.00 11.75 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -45.991 0.178   -14.335 1.00 13.83 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -44.985 -2.659  -14.337 1.00 12.11 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.643 -2.369  -14.774 1.00 12.09 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.015 0.000   -16.356 1.00 10.56 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.488 1.372   -16.310 1.00 11.04 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.246 1.520   -15.466 1.00 12.01 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.758 2.656   -15.351 1.00 13.81 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.699 0.435   -14.914 1.00 11.03 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.474 0.466   -14.109 1.00 11.22 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.276 -0.182  -14.802 1.00 10.91 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.222 -0.238  -14.142 1.00 12.56 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.383 -0.566  -16.050 1.00 9.31  ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.309 -1.284  -16.756 1.00 9.11  ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.870 -0.572  -18.028 1.00 9.76  ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.306 -1.242  -18.893 1.00 10.96 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.692 -2.729  -17.066 1.00 9.54  ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.483 -3.610  -17.333 1.00 9.27  ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.429 -3.399  -16.728 1.00 9.91  ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.631 -4.504  -18.301 1.00 9.55  ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.957 0.751   -18.105 1.00 10.36 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.574 1.475   -19.333 1.00 10.93 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.060 1.607   -19.481 1.00 11.09 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.617 1.902   -20.595 1.00 12.73 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.208 2.884   -19.315 1.00 11.47 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.305 1.461   -18.409 1.00 10.22 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.848 1.759   -18.463 1.00 10.76 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.138 0.877   -19.503 1.00 10.88 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.515 -0.276  -19.768 1.00 10.71 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.209 1.607   -17.103 1.00 10.96 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.054 1.379   -20.100 1.00 10.49 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.302 0.605   -21.099 1.00 10.94 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.370 -0.489  -20.513 1.00 9.82  ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.036 -0.440  -19.361 1.00 11.17 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.422 1.691   -21.751 1.00 12.04 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.167 2.678   -20.650 1.00 14.29 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.519 2.750   -19.936 1.00 13.13 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.007 -1.424  -21.379 1.00 10.11 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.761 -2.194  -21.208 1.00 10.15 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.633 -1.392  -21.832 1.00 10.17 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.797 -0.881  -22.955 1.00 12.53 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.892 -3.548  -21.850 1.00 10.14 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.913 -4.498  -21.216 1.00 10.69 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.085 -5.771  -22.047 1.00 11.74 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.565 -4.911  -19.802 1.00 12.13 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.483 -1.324  -21.172 1.00 10.62 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.332 -0.574  -21.719 1.00 12.17 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.102 -1.461  -21.686 1.00 12.17 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.754 -1.980  -20.600 1.00 12.48 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.045 0.727   -20.951 1.00 13.57 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.208 1.683   -20.721 1.00 16.20 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.775 2.996   -20.061 1.00 18.70 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.920 3.903   -19.666 1.00 22.34 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.399 5.090   -18.938 1.00 28.24 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.377 -1.527  -22.766 1.00 11.48 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.039 -2.191  -22.770 1.00 11.55 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.039 -1.238  -22.131 1.00 13.41 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.870 -0.088  -22.669 1.00 16.62 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.671 -2.568  -24.207 1.00 12.57 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.418 -3.816  -24.687 1.00 13.56 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.623 -3.883  -26.191 1.00 16.49 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.774 -5.090  -24.135 1.00 12.17 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.388 -1.691  -21.069 1.00 15.14 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.481 -0.840  -20.250 1.00 17.86 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.113 -0.779  -20.886 1.00 19.25 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.629 -1.754  -21.423 1.00 20.75 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.166 -1.477  -18.915 1.00 20.28 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.590 -2.018  -17.981 1.00 20.99 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.411 0.364   -20.745 1.00 24.60 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.095 0.520   -21.334 1.00 29.72 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.101 -0.387  -20.607 1.00 28.38 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.256 -0.627  -19.403 1.00 28.62 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.818 2.027   -21.162 1.00 29.51 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.637 2.434   -19.971 1.00 29.29 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.883 1.579   -20.054 1.00 27.73 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.142 -0.876  -21.395 1.00 35.29 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.840 -1.492  -21.020 1.00 37.72 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.032 -0.522  -20.154 1.00 43.12 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.254 -1.001  -19.324 1.00 52.47 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.076 -1.789  -22.314 1.00 37.19 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.561 -3.441  -22.935 1.00 25.16 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.170 -3.214  -23.186 1.00 20.97 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.349 -4.088  -24.002 1.00 35.83 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.283 -3.379  -25.216 1.00 41.92 ? 201 EDO B O2  1 
HETATM 1571 C C4  . VZY C 3 .   ? -35.241 6.305   -19.368 0.64 53.91 ? 202 VZY B C4  1 
HETATM 1572 C C5  . VZY C 3 .   ? -34.364 6.713   -20.367 0.64 52.72 ? 202 VZY B C5  1 
HETATM 1573 C C6  . VZY C 3 .   ? -34.847 7.486   -21.423 0.64 52.52 ? 202 VZY B C6  1 
HETATM 1574 C C7  . VZY C 3 .   ? -32.907 6.361   -20.271 0.64 51.93 ? 202 VZY B C7  1 
HETATM 1575 C C8  . VZY C 3 .   ? -31.631 6.965   -18.281 0.64 52.82 ? 202 VZY B C8  1 
HETATM 1576 O O1  . VZY C 3 .   ? -29.450 6.291   -17.656 0.64 49.68 ? 202 VZY B O1  1 
HETATM 1577 C C9  . VZY C 3 .   ? -30.132 6.842   -18.541 0.64 52.50 ? 202 VZY B C9  1 
HETATM 1578 O O2  . VZY C 3 .   ? -29.693 7.310   -19.612 0.64 56.45 ? 202 VZY B O2  1 
HETATM 1579 N N   . VZY C 3 .   ? -32.456 6.057   -19.047 0.64 51.72 ? 202 VZY B N   1 
HETATM 1580 O O   . VZY C 3 .   ? -32.163 6.463   -21.247 0.64 47.52 ? 202 VZY B O   1 
HETATM 1581 C C3  . VZY C 3 .   ? -36.576 6.648   -19.438 0.64 53.10 ? 202 VZY B C3  1 
HETATM 1582 C C2  . VZY C 3 .   ? -37.038 7.408   -20.498 0.64 53.17 ? 202 VZY B C2  1 
HETATM 1583 C C1  . VZY C 3 .   ? -36.190 7.834   -21.506 0.64 52.18 ? 202 VZY B C1  1 
HETATM 1584 C C   . VZY C 3 .   ? -36.714 8.653   -22.659 0.64 50.23 ? 202 VZY B C   1 
HETATM 1585 C C1  . EDO D 2 .   ? -50.524 -16.766 -33.100 1.00 27.84 ? 203 EDO B C1  1 
HETATM 1586 O O1  . EDO D 2 .   ? -49.122 -16.448 -33.027 1.00 27.56 ? 203 EDO B O1  1 
HETATM 1587 C C2  . EDO D 2 .   ? -51.068 -17.159 -31.807 1.00 34.11 ? 203 EDO B C2  1 
HETATM 1588 O O2  . EDO D 2 .   ? -51.153 -16.028 -30.982 1.00 44.87 ? 203 EDO B O2  1 
HETATM 1589 S S   . SO4 E 4 .   ? -40.452 -24.559 -26.259 1.00 36.01 ? 204 SO4 B S   1 
HETATM 1590 O O1  . SO4 E 4 .   ? -39.719 -23.609 -27.042 1.00 23.90 ? 204 SO4 B O1  1 
HETATM 1591 O O2  . SO4 E 4 .   ? -41.422 -25.223 -27.079 1.00 43.52 ? 204 SO4 B O2  1 
HETATM 1592 O O3  . SO4 E 4 .   ? -39.522 -25.521 -25.711 1.00 42.93 ? 204 SO4 B O3  1 
HETATM 1593 O O4  . SO4 E 4 .   ? -41.145 -23.889 -25.167 1.00 37.59 ? 204 SO4 B O4  1 
HETATM 1594 O O   . HOH F 5 .   ? -26.908 -28.446 -27.853 1.00 21.16 ? 301 HOH B O   1 
HETATM 1595 O O   . HOH F 5 .   ? -22.696 -1.804  -9.733  1.00 26.07 ? 302 HOH B O   1 
HETATM 1596 O O   . HOH F 5 .   ? -45.073 7.367   -24.630 1.00 37.32 ? 303 HOH B O   1 
HETATM 1597 O O   . HOH F 5 .   ? -38.621 -15.289 -11.629 1.00 30.01 ? 304 HOH B O   1 
HETATM 1598 O O   . HOH F 5 .   ? -45.638 3.706   -34.098 1.00 17.21 ? 305 HOH B O   1 
HETATM 1599 O O   . HOH F 5 .   ? -40.092 -1.112  -9.797  1.00 25.77 ? 306 HOH B O   1 
HETATM 1600 O O   . HOH F 5 .   ? -36.314 5.411   -15.697 1.00 22.09 ? 307 HOH B O   1 
HETATM 1601 O O   . HOH F 5 .   ? -47.086 -16.912 -31.653 1.00 23.63 ? 308 HOH B O   1 
HETATM 1602 O O   . HOH F 5 .   ? -33.822 4.943   -16.945 1.00 28.78 ? 309 HOH B O   1 
HETATM 1603 O O   . HOH F 5 .   ? -13.454 -23.516 -31.602 1.00 14.04 ? 310 HOH B O   1 
HETATM 1604 O O   . HOH F 5 .   ? -32.930 1.114   -33.503 1.00 20.02 ? 311 HOH B O   1 
HETATM 1605 O O   . HOH F 5 .   ? -29.595 -12.475 -37.774 1.00 22.06 ? 312 HOH B O   1 
HETATM 1606 O O   . HOH F 5 .   ? -18.695 -21.953 -35.759 1.00 15.69 ? 313 HOH B O   1 
HETATM 1607 O O   . HOH F 5 .   ? -38.042 2.821   -22.710 1.00 16.88 ? 314 HOH B O   1 
HETATM 1608 O O   . HOH F 5 .   ? -38.335 0.492   -11.819 1.00 34.13 ? 315 HOH B O   1 
HETATM 1609 O O   . HOH F 5 .   ? -15.589 -5.416  -13.577 1.00 28.53 ? 316 HOH B O   1 
HETATM 1610 O O   . HOH F 5 .   ? -12.685 -21.299 -18.668 1.00 27.92 ? 317 HOH B O   1 
HETATM 1611 O O   . HOH F 5 .   ? -24.586 -30.936 -21.949 1.00 32.68 ? 318 HOH B O   1 
HETATM 1612 O O   . HOH F 5 .   ? -26.172 3.448   -35.264 1.00 31.58 ? 319 HOH B O   1 
HETATM 1613 O O   . HOH F 5 .   ? -35.717 -19.148 -30.474 1.00 32.65 ? 320 HOH B O   1 
HETATM 1614 O O   . HOH F 5 .   ? -45.476 0.101   -11.737 1.00 17.33 ? 321 HOH B O   1 
HETATM 1615 O O   . HOH F 5 .   ? -35.898 -22.461 -19.591 1.00 22.84 ? 322 HOH B O   1 
HETATM 1616 O O   . HOH F 5 .   ? -25.906 -22.618 -35.816 1.00 25.23 ? 323 HOH B O   1 
HETATM 1617 O O   . HOH F 5 .   ? -19.358 -29.717 -15.628 1.00 26.99 ? 324 HOH B O   1 
HETATM 1618 O O   . HOH F 5 .   ? -30.744 -6.658  -11.293 1.00 13.59 ? 325 HOH B O   1 
HETATM 1619 O O   . HOH F 5 .   ? -47.154 1.269   -25.539 1.00 27.00 ? 326 HOH B O   1 
HETATM 1620 O O   . HOH F 5 .   ? -49.636 -1.669  -19.340 1.00 22.29 ? 327 HOH B O   1 
HETATM 1621 O O   . HOH F 5 .   ? -17.562 -21.297 -12.419 1.00 16.51 ? 328 HOH B O   1 
HETATM 1622 O O   . HOH F 5 .   ? -8.976  -13.471 -25.239 1.00 31.43 ? 329 HOH B O   1 
HETATM 1623 O O   . HOH F 5 .   ? -16.139 -19.631 -15.659 1.00 24.10 ? 330 HOH B O   1 
HETATM 1624 O O   . HOH F 5 .   ? -41.839 1.452   -22.579 1.00 30.61 ? 331 HOH B O   1 
HETATM 1625 O O   . HOH F 5 .   ? -36.593 -23.049 -30.723 1.00 29.12 ? 332 HOH B O   1 
HETATM 1626 O O   . HOH F 5 .   ? -23.853 1.206   -10.773 1.00 32.54 ? 333 HOH B O   1 
HETATM 1627 O O   . HOH F 5 .   ? -23.271 4.368   -24.664 1.00 23.04 ? 334 HOH B O   1 
HETATM 1628 O O   . HOH F 5 .   ? -37.249 -25.595 -11.375 1.00 34.64 ? 335 HOH B O   1 
HETATM 1629 O O   . HOH F 5 .   ? -40.689 -14.426 -8.465  1.00 28.87 ? 336 HOH B O   1 
HETATM 1630 O O   . HOH F 5 .   ? -42.952 -15.353 -10.141 1.00 21.40 ? 337 HOH B O   1 
HETATM 1631 O O   . HOH F 5 .   ? -36.790 -25.956 -23.712 1.00 31.29 ? 338 HOH B O   1 
HETATM 1632 O O   . HOH F 5 .   ? -18.499 -4.609  -24.694 1.00 16.26 ? 339 HOH B O   1 
HETATM 1633 O O   . HOH F 5 .   ? -17.876 -19.833 -37.482 1.00 24.94 ? 340 HOH B O   1 
HETATM 1634 O O   . HOH F 5 .   ? -26.519 -25.713 -16.373 1.00 15.45 ? 341 HOH B O   1 
HETATM 1635 O O   . HOH F 5 .   ? -17.577 -27.604 -19.633 1.00 17.50 ? 342 HOH B O   1 
HETATM 1636 O O   . HOH F 5 .   ? -30.703 1.209   -17.032 1.00 20.58 ? 343 HOH B O   1 
HETATM 1637 O O   . HOH F 5 .   ? -38.493 -7.626  -10.718 1.00 13.97 ? 344 HOH B O   1 
HETATM 1638 O O   . HOH F 5 .   ? -35.501 -17.111 -8.139  1.00 37.27 ? 345 HOH B O   1 
HETATM 1639 O O   . HOH F 5 .   ? -30.822 -20.280 -21.333 1.00 10.99 ? 346 HOH B O   1 
HETATM 1640 O O   . HOH F 5 .   ? -19.349 -4.330  -22.074 1.00 13.88 ? 347 HOH B O   1 
HETATM 1641 O O   . HOH F 5 .   ? -34.085 -21.956 -31.373 1.00 17.05 ? 348 HOH B O   1 
HETATM 1642 O O   . HOH F 5 .   ? -16.695 -5.558  -9.346  1.00 30.09 ? 349 HOH B O   1 
HETATM 1643 O O   . HOH F 5 .   ? -38.384 3.810   -42.112 1.00 25.80 ? 350 HOH B O   1 
HETATM 1644 O O   . HOH F 5 .   ? -36.207 -1.789  -33.735 1.00 16.53 ? 351 HOH B O   1 
HETATM 1645 O O   . HOH F 5 .   ? -38.757 -2.472  -21.321 1.00 13.25 ? 352 HOH B O   1 
HETATM 1646 O O   . HOH F 5 .   ? -45.152 -12.289 -26.446 1.00 30.43 ? 353 HOH B O   1 
HETATM 1647 O O   . HOH F 5 .   ? -38.018 -14.298 -21.355 1.00 31.23 ? 354 HOH B O   1 
HETATM 1648 O O   . HOH F 5 .   ? -28.391 -21.613 -8.961  1.00 16.29 ? 355 HOH B O   1 
HETATM 1649 O O   . HOH F 5 .   ? -27.166 -20.277 -6.999  1.00 16.08 ? 356 HOH B O   1 
HETATM 1650 O O   . HOH F 5 .   ? -10.854 -21.181 -25.087 1.00 29.13 ? 357 HOH B O   1 
HETATM 1651 O O   . HOH F 5 .   ? -30.231 -23.888 -34.061 1.00 20.75 ? 358 HOH B O   1 
HETATM 1652 O O   . HOH F 5 .   ? -44.954 -7.799  -38.938 1.00 14.34 ? 359 HOH B O   1 
HETATM 1653 O O   . HOH F 5 .   ? -40.939 -9.214  -36.577 1.00 24.10 ? 360 HOH B O   1 
HETATM 1654 O O   . HOH F 5 .   ? -40.277 -14.328 -31.344 1.00 13.70 ? 361 HOH B O   1 
HETATM 1655 O O   . HOH F 5 .   ? -26.515 1.983   -10.974 1.00 25.52 ? 362 HOH B O   1 
HETATM 1656 O O   . HOH F 5 .   ? -13.476 -21.002 -35.119 1.00 30.17 ? 363 HOH B O   1 
HETATM 1657 O O   . HOH F 5 .   ? -42.508 -5.761  -12.220 1.00 17.92 ? 364 HOH B O   1 
HETATM 1658 O O   . HOH F 5 .   ? -42.251 -3.876  -39.416 1.00 20.14 ? 365 HOH B O   1 
HETATM 1659 O O   . HOH F 5 .   ? -32.774 -18.087 -37.293 1.00 29.92 ? 366 HOH B O   1 
HETATM 1660 O O   . HOH F 5 .   ? -21.196 -5.926  -2.136  1.00 44.28 ? 367 HOH B O   1 
HETATM 1661 O O   . HOH F 5 .   ? -36.501 -0.976  -22.055 1.00 12.88 ? 368 HOH B O   1 
HETATM 1662 O O   . HOH F 5 .   ? -19.143 -29.162 -23.466 1.00 23.14 ? 369 HOH B O   1 
HETATM 1663 O O   . HOH F 5 .   ? -26.727 -17.638 -7.747  1.00 14.85 ? 370 HOH B O   1 
HETATM 1664 O O   . HOH F 5 .   ? -20.900 -16.399 -5.514  1.00 16.07 ? 371 HOH B O   1 
HETATM 1665 O O   . HOH F 5 .   ? -32.235 -4.959  -12.928 1.00 11.71 ? 372 HOH B O   1 
HETATM 1666 O O   . HOH F 5 .   ? -23.240 2.351   -23.001 1.00 26.33 ? 373 HOH B O   1 
HETATM 1667 O O   . HOH F 5 .   ? -25.712 -14.183 -3.098  1.00 28.85 ? 374 HOH B O   1 
HETATM 1668 O O   . HOH F 5 .   ? -19.758 1.860   -30.483 1.00 30.96 ? 375 HOH B O   1 
HETATM 1669 O O   . HOH F 5 .   ? -10.300 -23.546 -21.863 1.00 27.43 ? 376 HOH B O   1 
HETATM 1670 O O   . HOH F 5 .   ? -9.389  -18.540 -30.290 1.00 41.86 ? 377 HOH B O   1 
HETATM 1671 O O   . HOH F 5 .   ? -9.405  -20.758 -28.901 1.00 32.14 ? 378 HOH B O   1 
HETATM 1672 O O   . HOH F 5 .   ? -43.753 -0.618  -24.284 1.00 27.42 ? 379 HOH B O   1 
HETATM 1673 O O   . HOH F 5 .   ? -36.982 0.850   -15.528 1.00 15.18 ? 380 HOH B O   1 
HETATM 1674 O O   . HOH F 5 .   ? -17.961 -4.330  -5.886  1.00 35.85 ? 381 HOH B O   1 
HETATM 1675 O O   . HOH F 5 .   ? -45.743 -14.639 -27.490 1.00 33.69 ? 382 HOH B O   1 
HETATM 1676 O O   . HOH F 5 .   ? -23.767 -21.012 -38.836 1.00 20.75 ? 383 HOH B O   1 
HETATM 1677 O O   . HOH F 5 .   ? -33.468 -1.823  -38.344 1.00 24.32 ? 384 HOH B O   1 
HETATM 1678 O O   . HOH F 5 .   ? -45.883 -4.269  -33.850 1.00 18.21 ? 385 HOH B O   1 
HETATM 1679 O O   . HOH F 5 .   ? -45.685 -19.624 -31.599 1.00 23.72 ? 386 HOH B O   1 
HETATM 1680 O O   . HOH F 5 .   ? -25.288 -10.460 -23.543 1.00 11.90 ? 387 HOH B O   1 
HETATM 1681 O O   . HOH F 5 .   ? -15.983 -11.914 -5.431  1.00 39.58 ? 388 HOH B O   1 
HETATM 1682 O O   . HOH F 5 .   ? -24.009 -12.362 -6.536  1.00 18.09 ? 389 HOH B O   1 
HETATM 1683 O O   . HOH F 5 .   ? -18.285 -17.323 -36.358 1.00 25.12 ? 390 HOH B O   1 
HETATM 1684 O O   . HOH F 5 .   ? -27.808 -27.588 -25.731 1.00 28.38 ? 391 HOH B O   1 
HETATM 1685 O O   . HOH F 5 .   ? -14.994 -19.740 -37.527 1.00 23.11 ? 392 HOH B O   1 
HETATM 1686 O O   . HOH F 5 .   ? -33.984 -21.794 -36.670 1.00 39.00 ? 393 HOH B O   1 
HETATM 1687 O O   . HOH F 5 .   ? -35.535 -4.652  -42.157 1.00 21.70 ? 394 HOH B O   1 
HETATM 1688 O O   . HOH F 5 .   ? -52.368 -14.177 -29.091 1.00 37.94 ? 395 HOH B O   1 
HETATM 1689 O O   . HOH F 5 .   ? -33.344 -14.914 -6.976  1.00 20.08 ? 396 HOH B O   1 
HETATM 1690 O O   . HOH F 5 .   ? -12.684 -18.435 -34.720 1.00 33.45 ? 397 HOH B O   1 
HETATM 1691 O O   . HOH F 5 .   ? -31.455 3.467   -26.794 1.00 21.80 ? 398 HOH B O   1 
HETATM 1692 O O   . HOH F 5 .   ? -24.830 -14.995 -6.839  1.00 15.04 ? 399 HOH B O   1 
HETATM 1693 O O   . HOH F 5 .   ? -35.955 -3.694  -9.961  1.00 42.78 ? 400 HOH B O   1 
HETATM 1694 O O   . HOH F 5 .   ? -41.415 -8.474  -13.314 1.00 18.63 ? 401 HOH B O   1 
HETATM 1695 O O   . HOH F 5 .   ? -9.329  -15.972 -26.504 1.00 26.24 ? 402 HOH B O   1 
HETATM 1696 O O   . HOH F 5 .   ? -25.734 -26.999 -23.822 1.00 16.98 ? 403 HOH B O   1 
HETATM 1697 O O   . HOH F 5 .   ? -13.281 -6.250  -29.173 1.00 28.92 ? 404 HOH B O   1 
HETATM 1698 O O   . HOH F 5 .   ? -40.976 -5.882  -37.982 1.00 30.42 ? 405 HOH B O   1 
HETATM 1699 O O   . HOH F 5 .   ? -14.400 -16.467 -33.006 1.00 27.15 ? 406 HOH B O   1 
HETATM 1700 O O   . HOH F 5 .   ? -18.024 -16.011 -6.144  1.00 21.22 ? 407 HOH B O   1 
HETATM 1701 O O   . HOH F 5 .   ? -39.873 6.249   -26.241 1.00 40.26 ? 408 HOH B O   1 
HETATM 1702 O O   . HOH F 5 .   ? -28.759 7.905   -30.019 1.00 30.11 ? 409 HOH B O   1 
HETATM 1703 O O   . HOH F 5 .   ? -39.943 -11.576 -22.757 1.00 31.89 ? 410 HOH B O   1 
HETATM 1704 O O   . HOH F 5 .   ? -24.863 -11.057 -4.163  1.00 23.38 ? 411 HOH B O   1 
HETATM 1705 O O   . HOH F 5 .   ? -40.352 -7.439  -34.528 1.00 20.76 ? 412 HOH B O   1 
HETATM 1706 O O   . HOH F 5 .   ? -30.977 4.087   -24.327 1.00 21.92 ? 413 HOH B O   1 
HETATM 1707 O O   . HOH F 5 .   ? -17.887 -11.160 -35.588 1.00 24.71 ? 414 HOH B O   1 
HETATM 1708 O O   . HOH F 5 .   ? -42.393 -4.978  -43.688 1.00 19.97 ? 415 HOH B O   1 
HETATM 1709 O O   . HOH F 5 .   ? -40.756 6.422   -33.045 1.00 27.74 ? 416 HOH B O   1 
HETATM 1710 O O   . HOH F 5 .   ? -36.363 -0.217  -41.957 1.00 36.94 ? 417 HOH B O   1 
HETATM 1711 O O   . HOH F 5 .   ? -16.045 -14.699 -8.585  1.00 29.38 ? 418 HOH B O   1 
HETATM 1712 O O   . HOH F 5 .   ? -34.228 -7.161  -7.909  1.00 26.25 ? 419 HOH B O   1 
HETATM 1713 O O   . HOH F 5 .   ? -24.279 -4.300  -36.912 1.00 34.14 ? 420 HOH B O   1 
HETATM 1714 O O   . HOH F 5 .   ? -38.778 3.841   -13.626 1.00 32.44 ? 421 HOH B O   1 
HETATM 1715 O O   . HOH F 5 .   ? -43.381 3.763   -18.800 1.00 20.66 ? 422 HOH B O   1 
HETATM 1716 O O   . HOH F 5 .   ? -41.066 -8.795  -19.352 1.00 14.03 ? 423 HOH B O   1 
HETATM 1717 O O   . HOH F 5 .   ? -41.281 5.370   -28.402 1.00 25.87 ? 424 HOH B O   1 
HETATM 1718 O O   . HOH F 5 .   ? -25.048 7.051   -28.896 1.00 26.88 ? 425 HOH B O   1 
HETATM 1719 O O   . HOH F 5 .   ? -34.657 -8.948  -6.078  1.00 37.89 ? 426 HOH B O   1 
HETATM 1720 O O   . HOH F 5 .   ? -19.908 2.260   -23.975 1.00 35.00 ? 427 HOH B O   1 
HETATM 1721 O O   . HOH F 5 .   ? -16.035 -7.367  -11.277 1.00 27.67 ? 428 HOH B O   1 
HETATM 1722 O O   . HOH F 5 .   ? -32.806 -23.608 -33.412 1.00 31.39 ? 429 HOH B O   1 
HETATM 1723 O O   . HOH F 5 .   ? -47.694 0.000   -32.764 0.50 22.37 ? 430 HOH B O   1 
HETATM 1724 O O   . HOH F 5 .   ? -30.781 -17.377 -42.707 1.00 32.53 ? 431 HOH B O   1 
HETATM 1725 O O   . HOH F 5 .   ? -36.618 -6.577  -8.924  1.00 27.32 ? 432 HOH B O   1 
HETATM 1726 O O   . HOH F 5 .   ? -8.448  -22.994 -30.275 1.00 27.72 ? 433 HOH B O   1 
HETATM 1727 O O   . HOH F 5 .   ? -21.647 6.879   -32.327 1.00 29.11 ? 434 HOH B O   1 
HETATM 1728 O O   . HOH F 5 .   ? -26.241 -28.182 -21.425 1.00 37.02 ? 435 HOH B O   1 
HETATM 1729 O O   . HOH F 5 .   ? -40.326 4.998   -22.070 1.00 31.46 ? 436 HOH B O   1 
HETATM 1730 O O   . HOH F 5 .   ? -38.179 5.877   -21.118 1.00 38.89 ? 437 HOH B O   1 
HETATM 1731 O O   . HOH F 5 .   ? -22.753 3.459   -20.625 1.00 34.34 ? 438 HOH B O   1 
HETATM 1732 O O   . HOH F 5 .   ? -15.894 -22.283 -14.566 1.00 26.99 ? 439 HOH B O   1 
HETATM 1733 O O   . HOH F 5 .   ? -36.698 2.206   -43.288 1.00 37.81 ? 440 HOH B O   1 
HETATM 1734 O O   . HOH F 5 .   ? -28.294 -27.721 -16.879 1.00 22.59 ? 441 HOH B O   1 
HETATM 1735 O O   . HOH F 5 .   ? -26.335 -31.070 -23.920 1.00 25.74 ? 442 HOH B O   1 
HETATM 1736 O O   . HOH F 5 .   ? -16.023 -26.872 -17.209 1.00 32.65 ? 443 HOH B O   1 
HETATM 1737 O O   . HOH F 5 .   ? -42.196 -12.970 -22.307 1.00 28.31 ? 444 HOH B O   1 
# 
