data_7HMK
# 
_entry.id   7HMK 
# 
_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   7HMK         pdb_00007hmk 10.2210/pdb7hmk/pdb 
WWPDB D_1001407662 ?            ?                   
# 
_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                        7HMK 
_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 '4-amino-N-(pyridin-2-yl)benzenesulfonamide' 249.289   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                96.063    1   ?        ? ? ? 
5 water       nat water                                        18.015    143 ?        ? ? ? 
# 
_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 '4-amino-N-(pyridin-2-yl)benzenesulfonamide' SFY 
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 
SFY non-polymer         . '4-amino-N-(pyridin-2-yl)benzenesulfonamide' Sulfapyridine     'C11 H11 N3 O2 S' 249.289 
SO4 non-polymer         . 'SULFATE ION'                                ?                 'O4 S -2'         96.063  
THR 'L-peptide linking' y THREONINE                                    ?                 'C4 H9 N O3'      119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                   ?                 'C11 H12 N2 O2'   204.225 
TYR 'L-peptide linking' y TYROSINE                                     ?                 'C9 H11 N O3'     181.189 
VAL 'L-peptide linking' y VALINE                                       ?                 'C5 H11 N O2'     117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        SFY 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   SFY 
_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 SFY 1   202 302 SFY 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 29  HOH HOH B . 
F 5 HOH 2   302 107 HOH HOH B . 
F 5 HOH 3   303 2   HOH HOH B . 
F 5 HOH 4   304 11  HOH HOH B . 
F 5 HOH 5   305 12  HOH HOH B . 
F 5 HOH 6   306 33  HOH HOH B . 
F 5 HOH 7   307 63  HOH HOH B . 
F 5 HOH 8   308 9   HOH HOH B . 
F 5 HOH 9   309 184 HOH HOH B . 
F 5 HOH 10  310 1   HOH HOH B . 
F 5 HOH 11  311 99  HOH HOH B . 
F 5 HOH 12  312 16  HOH HOH B . 
F 5 HOH 13  313 26  HOH HOH B . 
F 5 HOH 14  314 25  HOH HOH B . 
F 5 HOH 15  315 27  HOH HOH B . 
F 5 HOH 16  316 4   HOH HOH B . 
F 5 HOH 17  317 21  HOH HOH B . 
F 5 HOH 18  318 80  HOH HOH B . 
F 5 HOH 19  319 40  HOH HOH B . 
F 5 HOH 20  320 31  HOH HOH B . 
F 5 HOH 21  321 102 HOH HOH B . 
F 5 HOH 22  322 129 HOH HOH B . 
F 5 HOH 23  323 90  HOH HOH B . 
F 5 HOH 24  324 5   HOH HOH B . 
F 5 HOH 25  325 51  HOH HOH B . 
F 5 HOH 26  326 95  HOH HOH B . 
F 5 HOH 27  327 66  HOH HOH B . 
F 5 HOH 28  328 100 HOH HOH B . 
F 5 HOH 29  329 11  HOH HOH B . 
F 5 HOH 30  330 18  HOH HOH B . 
F 5 HOH 31  331 70  HOH HOH B . 
F 5 HOH 32  332 34  HOH HOH B . 
F 5 HOH 33  333 16  HOH HOH B . 
F 5 HOH 34  334 39  HOH HOH B . 
F 5 HOH 35  335 27  HOH HOH B . 
F 5 HOH 36  336 36  HOH HOH B . 
F 5 HOH 37  337 58  HOH HOH B . 
F 5 HOH 38  338 62  HOH HOH B . 
F 5 HOH 39  339 73  HOH HOH B . 
F 5 HOH 40  340 211 HOH HOH B . 
F 5 HOH 41  341 89  HOH HOH B . 
F 5 HOH 42  342 2   HOH HOH B . 
F 5 HOH 43  343 22  HOH HOH B . 
F 5 HOH 44  344 19  HOH HOH B . 
F 5 HOH 45  345 43  HOH HOH B . 
F 5 HOH 46  346 68  HOH HOH B . 
F 5 HOH 47  347 76  HOH HOH B . 
F 5 HOH 48  348 29  HOH HOH B . 
F 5 HOH 49  349 20  HOH HOH B . 
F 5 HOH 50  350 7   HOH HOH B . 
F 5 HOH 51  351 267 HOH HOH B . 
F 5 HOH 52  352 32  HOH HOH B . 
F 5 HOH 53  353 71  HOH HOH B . 
F 5 HOH 54  354 10  HOH HOH B . 
F 5 HOH 55  355 55  HOH HOH B . 
F 5 HOH 56  356 72  HOH HOH B . 
F 5 HOH 57  357 64  HOH HOH B . 
F 5 HOH 58  358 50  HOH HOH B . 
F 5 HOH 59  359 126 HOH HOH B . 
F 5 HOH 60  360 157 HOH HOH B . 
F 5 HOH 61  361 59  HOH HOH B . 
F 5 HOH 62  362 86  HOH HOH B . 
F 5 HOH 63  363 6   HOH HOH B . 
F 5 HOH 64  364 172 HOH HOH B . 
F 5 HOH 65  365 214 HOH HOH B . 
F 5 HOH 66  366 26  HOH HOH B . 
F 5 HOH 67  367 61  HOH HOH B . 
F 5 HOH 68  368 15  HOH HOH B . 
F 5 HOH 69  369 1   HOH HOH B . 
F 5 HOH 70  370 156 HOH HOH B . 
F 5 HOH 71  371 264 HOH HOH B . 
F 5 HOH 72  372 93  HOH HOH B . 
F 5 HOH 73  373 10  HOH HOH B . 
F 5 HOH 74  374 81  HOH HOH B . 
F 5 HOH 75  375 33  HOH HOH B . 
F 5 HOH 76  376 4   HOH HOH B . 
F 5 HOH 77  377 85  HOH HOH B . 
F 5 HOH 78  378 304 HOH HOH B . 
F 5 HOH 79  379 32  HOH HOH B . 
F 5 HOH 80  380 47  HOH HOH B . 
F 5 HOH 81  381 24  HOH HOH B . 
F 5 HOH 82  382 23  HOH HOH B . 
F 5 HOH 83  383 263 HOH HOH B . 
F 5 HOH 84  384 8   HOH HOH B . 
F 5 HOH 85  385 137 HOH HOH B . 
F 5 HOH 86  386 3   HOH HOH B . 
F 5 HOH 87  387 60  HOH HOH B . 
F 5 HOH 88  388 14  HOH HOH B . 
F 5 HOH 89  389 13  HOH HOH B . 
F 5 HOH 90  390 8   HOH HOH B . 
F 5 HOH 91  391 281 HOH HOH B . 
F 5 HOH 92  392 46  HOH HOH B . 
F 5 HOH 93  393 303 HOH HOH B . 
F 5 HOH 94  394 3   HOH HOH B . 
F 5 HOH 95  395 42  HOH HOH B . 
F 5 HOH 96  396 25  HOH HOH B . 
F 5 HOH 97  397 97  HOH HOH B . 
F 5 HOH 98  398 12  HOH HOH B . 
F 5 HOH 99  399 48  HOH HOH B . 
F 5 HOH 100 400 125 HOH HOH B . 
F 5 HOH 101 401 49  HOH HOH B . 
F 5 HOH 102 402 30  HOH HOH B . 
F 5 HOH 103 403 56  HOH HOH B . 
F 5 HOH 104 404 154 HOH HOH B . 
F 5 HOH 105 405 7   HOH HOH B . 
F 5 HOH 106 406 197 HOH HOH B . 
F 5 HOH 107 407 257 HOH HOH B . 
F 5 HOH 108 408 17  HOH HOH B . 
F 5 HOH 109 409 45  HOH HOH B . 
F 5 HOH 110 410 140 HOH HOH B . 
F 5 HOH 111 411 53  HOH HOH B . 
F 5 HOH 112 412 54  HOH HOH B . 
F 5 HOH 113 413 20  HOH HOH B . 
F 5 HOH 114 414 57  HOH HOH B . 
F 5 HOH 115 415 34  HOH HOH B . 
F 5 HOH 116 416 133 HOH HOH B . 
F 5 HOH 117 417 38  HOH HOH B . 
F 5 HOH 118 418 15  HOH HOH B . 
F 5 HOH 119 419 22  HOH HOH B . 
F 5 HOH 120 420 41  HOH HOH B . 
F 5 HOH 121 421 5   HOH HOH B . 
F 5 HOH 122 422 112 HOH HOH B . 
F 5 HOH 123 423 18  HOH HOH B . 
F 5 HOH 124 424 44  HOH HOH B . 
F 5 HOH 125 425 103 HOH HOH B . 
F 5 HOH 126 426 69  HOH HOH B . 
F 5 HOH 127 427 82  HOH HOH B . 
F 5 HOH 128 428 19  HOH HOH B . 
F 5 HOH 129 429 114 HOH HOH B . 
F 5 HOH 130 430 266 HOH HOH B . 
F 5 HOH 131 431 30  HOH HOH B . 
F 5 HOH 132 432 115 HOH HOH B . 
F 5 HOH 133 433 21  HOH HOH B . 
F 5 HOH 134 434 23  HOH HOH B . 
F 5 HOH 135 435 13  HOH HOH B . 
F 5 HOH 136 436 98  HOH HOH B . 
F 5 HOH 137 437 104 HOH HOH B . 
F 5 HOH 138 438 166 HOH HOH B . 
F 5 HOH 139 439 205 HOH HOH B . 
F 5 HOH 140 440 127 HOH HOH B . 
F 5 HOH 141 441 14  HOH HOH B . 
F 5 HOH 142 442 131 HOH HOH B . 
F 5 HOH 143 443 270 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HMK 
_cell.length_a           95.601 
_cell.length_b           95.601 
_cell.length_c           45.742 
_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                         7HMK 
_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          7HMK 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.42 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.17 
_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                     7HMK 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             41.260 
_reflns.d_resolution_high            1.350 
_reflns.number_obs                   44379 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         97.700 
_reflns.pdbx_Rmerge_I_obs            0.100 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        13.000 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              12.200 
_reflns.pdbx_Rrim_I_all              0.105 
_reflns.pdbx_Rpim_I_all              0.029 
_reflns.pdbx_CC_half                 0.998 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     542695 
_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 1.350 1.370  ? 14219 1990 ? 1.956 ? ? ? 7.100  ? 0.500  ? ? ? ? ? ? 84.500 2.108 0.755 0.279 
1 2 7.140 41.260 ? 4191  338  ? 0.062 ? ? ? 12.400 ? 70.000 ? ? ? ? ? ? 99.600 0.065 0.019 0.999 
# 
_refine.entry_id                                 7HMK 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3500 
_refine.ls_d_res_low                             41.3000 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    97.2100 
_refine.ls_number_reflns_obs                     42055 
_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                          0.1843 
_refine.ls_R_factor_R_work                       0.1830 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2087 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2153 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               18.7900 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0700 
_refine.aniso_B[2][2]                            0.0700 
_refine.aniso_B[3][3]                            -0.1400 
_refine.aniso_B[1][2]                            0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9650 
_refine.correlation_coeff_Fo_to_Fc_free          0.9550 
_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                       0.0600 
_refine.pdbx_overall_ESU_R_Free                  0.0620 
_refine.overall_SU_ML                            0.0520 
_refine.overall_SU_B                             1.4200 
_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                                98.570 
_refine.B_iso_min                                9.310 
_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                       1.3500 
_refine_hist.d_res_low                        41.3000 
_refine_hist.pdbx_number_atoms_ligand         30 
_refine_hist.number_atoms_solvent             143 
_refine_hist.number_atoms_total               1666 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           33.91 
_refine_hist.pdbx_B_iso_mean_solvent          30.07 
_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       2001 0.011  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1602 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2516 1.721  1.639  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3691 1.439  1.581  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.125  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 107  27.583 21.215 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  12.003 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   20.350 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         219  0.084  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2240 0.010  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     508  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            951  1.652  1.693  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.652  1.673  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.673  2.515  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3500 
_refine_ls_shell.d_res_low                        1.3850 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               80.0400 
_refine_ls_shell.number_reflns_R_work             2538 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3560 
_refine_ls_shell.R_factor_R_free                  0.3440 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             117 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2655 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMK 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z271004858' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMK 
_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              7HMK 
_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 7HMK MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMK HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMK HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMK HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMK HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMK HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMK HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMK 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       -3.03 
# 
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                   7HMK 
_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 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 70.87   36.20 
2 1 ASP B 152 ? ? -106.19 55.18 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     429 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   F 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
PHE N    N N N 260 
PHE CA   C N S 261 
PHE C    C N N 262 
PHE O    O N N 263 
PHE CB   C N N 264 
PHE CG   C Y N 265 
PHE CD1  C Y N 266 
PHE CD2  C Y N 267 
PHE CE1  C Y N 268 
PHE CE2  C Y N 269 
PHE CZ   C Y N 270 
PHE OXT  O N N 271 
PHE H    H N N 272 
PHE H2   H N N 273 
PHE HA   H N N 274 
PHE HB2  H N N 275 
PHE HB3  H N N 276 
PHE HD1  H N N 277 
PHE HD2  H N N 278 
PHE HE1  H N N 279 
PHE HE2  H N N 280 
PHE HZ   H N N 281 
PHE HXT  H N N 282 
PRO N    N N N 283 
PRO CA   C N S 284 
PRO C    C N N 285 
PRO O    O N N 286 
PRO CB   C N N 287 
PRO CG   C N N 288 
PRO CD   C N N 289 
PRO OXT  O N N 290 
PRO H    H N N 291 
PRO HA   H N N 292 
PRO HB2  H N N 293 
PRO HB3  H N N 294 
PRO HG2  H N N 295 
PRO HG3  H N N 296 
PRO HD2  H N N 297 
PRO HD3  H N N 298 
PRO HXT  H N N 299 
SER N    N N N 300 
SER CA   C N S 301 
SER C    C N N 302 
SER O    O N N 303 
SER CB   C N N 304 
SER OG   O N N 305 
SER OXT  O N N 306 
SER H    H N N 307 
SER H2   H N N 308 
SER HA   H N N 309 
SER HB2  H N N 310 
SER HB3  H N N 311 
SER HG   H N N 312 
SER HXT  H N N 313 
SFY OAB  O N N 314 
SFY SAQ  S N N 315 
SFY OAC  O N N 316 
SFY CAP  C Y N 317 
SFY CAJ  C Y N 318 
SFY CAH  C Y N 319 
SFY CAN  C Y N 320 
SFY NAA  N N N 321 
SFY CAI  C Y N 322 
SFY CAK  C Y N 323 
SFY NAM  N N N 324 
SFY CAO  C Y N 325 
SFY CAG  C Y N 326 
SFY CAE  C Y N 327 
SFY CAD  C Y N 328 
SFY CAF  C Y N 329 
SFY NAL  N Y N 330 
SFY H1   H N N 331 
SFY H2   H N N 332 
SFY H3   H N N 333 
SFY H4   H N N 334 
SFY H5   H N N 335 
SFY H6   H N N 336 
SFY H7   H N N 337 
SFY H8   H N N 338 
SFY H9   H N N 339 
SFY H10  H N N 340 
SFY H11  H N N 341 
SO4 S    S N N 342 
SO4 O1   O N N 343 
SO4 O2   O N N 344 
SO4 O3   O N N 345 
SO4 O4   O N N 346 
THR N    N N N 347 
THR CA   C N S 348 
THR C    C N N 349 
THR O    O N N 350 
THR CB   C N R 351 
THR OG1  O N N 352 
THR CG2  C N N 353 
THR OXT  O N N 354 
THR H    H N N 355 
THR H2   H N N 356 
THR HA   H N N 357 
THR HB   H N N 358 
THR HG1  H N N 359 
THR HG21 H N N 360 
THR HG22 H N N 361 
THR HG23 H N N 362 
THR HXT  H N N 363 
TRP N    N N N 364 
TRP CA   C N S 365 
TRP C    C N N 366 
TRP O    O N N 367 
TRP CB   C N N 368 
TRP CG   C Y N 369 
TRP CD1  C Y N 370 
TRP CD2  C Y N 371 
TRP NE1  N Y N 372 
TRP CE2  C Y N 373 
TRP CE3  C Y N 374 
TRP CZ2  C Y N 375 
TRP CZ3  C Y N 376 
TRP CH2  C Y N 377 
TRP OXT  O N N 378 
TRP H    H N N 379 
TRP H2   H N N 380 
TRP HA   H N N 381 
TRP HB2  H N N 382 
TRP HB3  H N N 383 
TRP HD1  H N N 384 
TRP HE1  H N N 385 
TRP HE3  H N N 386 
TRP HZ2  H N N 387 
TRP HZ3  H N N 388 
TRP HH2  H N N 389 
TRP HXT  H N N 390 
TYR N    N N N 391 
TYR CA   C N S 392 
TYR C    C N N 393 
TYR O    O N N 394 
TYR CB   C N N 395 
TYR CG   C Y N 396 
TYR CD1  C Y N 397 
TYR CD2  C Y N 398 
TYR CE1  C Y N 399 
TYR CE2  C Y N 400 
TYR CZ   C Y N 401 
TYR OH   O N N 402 
TYR OXT  O N N 403 
TYR H    H N N 404 
TYR H2   H N N 405 
TYR HA   H N N 406 
TYR HB2  H N N 407 
TYR HB3  H N N 408 
TYR HD1  H N N 409 
TYR HD2  H N N 410 
TYR HE1  H N N 411 
TYR HE2  H N N 412 
TYR HH   H N N 413 
TYR HXT  H N N 414 
VAL N    N N N 415 
VAL CA   C N S 416 
VAL C    C N N 417 
VAL O    O N N 418 
VAL CB   C N N 419 
VAL CG1  C N N 420 
VAL CG2  C N N 421 
VAL OXT  O N N 422 
VAL H    H N N 423 
VAL H2   H N N 424 
VAL HA   H N N 425 
VAL HB   H N N 426 
VAL HG11 H N N 427 
VAL HG12 H N N 428 
VAL HG13 H N N 429 
VAL HG21 H N N 430 
VAL HG22 H N N 431 
VAL HG23 H N N 432 
VAL HXT  H N N 433 
# 
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 
SFY CAD CAE  doub Y N 299 
SFY CAD CAF  sing Y N 300 
SFY CAE CAG  sing Y N 301 
SFY CAF NAL  doub Y N 302 
SFY CAG CAO  doub Y N 303 
SFY NAL CAO  sing Y N 304 
SFY CAO NAM  sing N N 305 
SFY OAB SAQ  doub N N 306 
SFY NAM SAQ  sing N N 307 
SFY NAA CAN  sing N N 308 
SFY CAI CAK  doub Y N 309 
SFY CAI CAN  sing Y N 310 
SFY CAK CAP  sing Y N 311 
SFY CAN CAH  doub Y N 312 
SFY CAH CAJ  sing Y N 313 
SFY CAP CAJ  doub Y N 314 
SFY CAP SAQ  sing N N 315 
SFY SAQ OAC  doub N N 316 
SFY CAJ H1   sing N N 317 
SFY CAH H2   sing N N 318 
SFY NAA H3   sing N N 319 
SFY NAA H4   sing N N 320 
SFY CAI H5   sing N N 321 
SFY CAK H6   sing N N 322 
SFY NAM H7   sing N N 323 
SFY CAG H8   sing N N 324 
SFY CAE H9   sing N N 325 
SFY CAD H10  sing N N 326 
SFY CAF H11  sing N N 327 
SO4 S   O1   doub N N 328 
SO4 S   O2   doub N N 329 
SO4 S   O3   sing N N 330 
SO4 S   O4   sing N N 331 
THR N   CA   sing N N 332 
THR N   H    sing N N 333 
THR N   H2   sing N N 334 
THR CA  C    sing N N 335 
THR CA  CB   sing N N 336 
THR CA  HA   sing N N 337 
THR C   O    doub N N 338 
THR C   OXT  sing N N 339 
THR CB  OG1  sing N N 340 
THR CB  CG2  sing N N 341 
THR CB  HB   sing N N 342 
THR OG1 HG1  sing N N 343 
THR CG2 HG21 sing N N 344 
THR CG2 HG22 sing N N 345 
THR CG2 HG23 sing N N 346 
THR OXT HXT  sing N N 347 
TRP N   CA   sing N N 348 
TRP N   H    sing N N 349 
TRP N   H2   sing N N 350 
TRP CA  C    sing N N 351 
TRP CA  CB   sing N N 352 
TRP CA  HA   sing N N 353 
TRP C   O    doub N N 354 
TRP C   OXT  sing N N 355 
TRP CB  CG   sing N N 356 
TRP CB  HB2  sing N N 357 
TRP CB  HB3  sing N N 358 
TRP CG  CD1  doub Y N 359 
TRP CG  CD2  sing Y N 360 
TRP CD1 NE1  sing Y N 361 
TRP CD1 HD1  sing N N 362 
TRP CD2 CE2  doub Y N 363 
TRP CD2 CE3  sing Y N 364 
TRP NE1 CE2  sing Y N 365 
TRP NE1 HE1  sing N N 366 
TRP CE2 CZ2  sing Y N 367 
TRP CE3 CZ3  doub Y N 368 
TRP CE3 HE3  sing N N 369 
TRP CZ2 CH2  doub Y N 370 
TRP CZ2 HZ2  sing N N 371 
TRP CZ3 CH2  sing Y N 372 
TRP CZ3 HZ3  sing N N 373 
TRP CH2 HH2  sing N N 374 
TRP OXT HXT  sing N N 375 
TYR N   CA   sing N N 376 
TYR N   H    sing N N 377 
TYR N   H2   sing N N 378 
TYR CA  C    sing N N 379 
TYR CA  CB   sing N N 380 
TYR CA  HA   sing N N 381 
TYR C   O    doub N N 382 
TYR C   OXT  sing N N 383 
TYR CB  CG   sing N N 384 
TYR CB  HB2  sing N N 385 
TYR CB  HB3  sing N N 386 
TYR CG  CD1  doub Y N 387 
TYR CG  CD2  sing Y N 388 
TYR CD1 CE1  sing Y N 389 
TYR CD1 HD1  sing N N 390 
TYR CD2 CE2  doub Y N 391 
TYR CD2 HD2  sing N N 392 
TYR CE1 CZ   doub Y N 393 
TYR CE1 HE1  sing N N 394 
TYR CE2 CZ   sing Y N 395 
TYR CE2 HE2  sing N N 396 
TYR CZ  OH   sing N N 397 
TYR OH  HH   sing N N 398 
TYR OXT HXT  sing N N 399 
VAL N   CA   sing N N 400 
VAL N   H    sing N N 401 
VAL N   H2   sing N N 402 
VAL CA  C    sing N N 403 
VAL CA  CB   sing N N 404 
VAL CA  HA   sing N N 405 
VAL C   O    doub N N 406 
VAL C   OXT  sing N N 407 
VAL CB  CG1  sing N N 408 
VAL CB  CG2  sing N N 409 
VAL CB  HB   sing N N 410 
VAL CG1 HG11 sing N N 411 
VAL CG1 HG12 sing N N 412 
VAL CG1 HG13 sing N N 413 
VAL CG2 HG21 sing N N 414 
VAL CG2 HG22 sing N N 415 
VAL CG2 HG23 sing N N 416 
VAL OXT HXT  sing N N 417 
# 
_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                    7HMK 
_atom_sites.fract_transf_matrix[1][1]   0.010460 
_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]   0.010460 
_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]   0.021862 
_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   ? -12.999 -13.401 -9.926  1.00 89.65 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.691 -13.770 -11.345 1.00 83.64 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.667 -12.787 -11.930 1.00 83.25 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.717 -11.586 -11.573 1.00 88.18 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.984 -13.847 -12.178 1.00 77.82 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.571 -12.523 -12.557 1.00 75.91 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -14.231 -11.868 -13.730 1.00 73.66 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.486 -11.739 -11.943 1.00 73.68 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.896 -10.732 -13.808 1.00 71.68 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.676 -10.630 -12.728 1.00 73.46 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.784 -13.285 -12.802 1.00 81.57 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.764  -12.502 -13.554 1.00 80.48 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.020 -12.644 -15.065 1.00 70.60 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.051  -12.931 -15.800 1.00 70.69 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.354  -12.940 -13.116 1.00 87.03 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.100  -12.786 -11.648 1.00 94.94 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.024  -11.545 -11.031 1.00 94.60 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -7.897  -13.701 -10.673 1.00 98.57 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.791  -11.706 -9.743  1.00 96.26 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -7.707  -13.020 -9.498  1.00 97.60 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.277 -12.434 -15.500 1.00 58.51 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.787 -12.625 -16.892 1.00 47.42 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.758 -11.302 -17.672 1.00 44.18 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.798 -11.347 -18.919 1.00 38.37 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.211 -13.208 -16.862 1.00 41.86 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.272 -14.608 -16.352 1.00 42.23 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.302 -15.562 -16.665 1.00 41.18 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.169 -15.228 -15.561 1.00 39.08 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.613 -16.707 -16.097 1.00 46.06 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.758 -16.528 -15.412 1.00 44.15 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.683 -10.170 -16.959 1.00 47.62 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.740 -8.784  -17.509 1.00 54.72 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.849 -8.618  -18.754 1.00 52.88 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.281 -7.886  -19.677 1.00 50.29 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.362 -7.746  -16.435 1.00 64.99 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.166 -7.836  -15.180 1.00 77.67 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.647 -8.363  -14.006 1.00 90.57 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.440 -7.477  -14.905 1.00 84.97 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.569 -8.322  -13.062 1.00 92.80 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.680 -7.783  -13.589 1.00 90.47 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.665  -9.256  -18.786 1.00 48.38 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.628  -9.130  -19.856 1.00 45.22 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.018  -9.854  -21.160 1.00 41.85 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.275  -9.694  -22.150 1.00 43.79 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.260  -9.608  -19.340 1.00 52.48 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.171  -11.074 -19.073 1.00 54.08 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.489  -11.940 -19.906 1.00 60.74 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.659  -11.829 -18.066 1.00 59.51 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.570  -13.168 -19.431 1.00 54.91 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.282  -13.129 -18.303 1.00 63.16 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.113 -10.631 -21.191 1.00 33.07 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.744 -11.156 -22.442 1.00 26.62 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.896 -10.261 -22.867 1.00 24.45 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.768 -10.744 -23.627 1.00 20.53 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.283 -12.570 -22.243 1.00 25.55 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.218 -13.515 -21.810 1.00 27.67 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.178  -13.846 -22.656 1.00 26.05 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.025 -14.171 -20.644 1.00 28.49 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.378  -14.696 -22.027 1.00 25.95 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.855  -14.904 -20.784 1.00 31.55 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.918 -9.028  -22.377 1.00 23.62 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.962 -8.023  -22.703 1.00 27.47 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.083 -7.881  -24.231 1.00 26.42 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.070 -7.802  -24.966 1.00 27.74 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.625 -6.675  -22.056 1.00 32.77 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.655 -5.557  -22.290 1.00 40.31 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.315 -5.790  -21.528 1.00 50.61 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -15.058 -5.142  -19.877 1.00 40.89 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.314 -7.834  -24.722 1.00 21.04 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.637 -7.613  -26.152 1.00 22.43 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.625 -6.433  -26.211 1.00 23.14 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.430 -6.259  -25.276 1.00 23.02 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.157 -8.896  -26.829 1.00 24.02 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.040 -9.929  -26.906 1.00 26.47 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.364 -9.503  -26.129 1.00 24.61 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.564 -5.661  -27.293 1.00 23.55 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.443 -4.502  -27.563 1.00 22.20 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.675 -5.024  -28.310 1.00 22.35 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.578 -5.418  -29.489 1.00 25.60 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.711 -3.441  -28.397 1.00 24.03 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.479 -2.171  -28.605 1.00 29.97 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.597 -1.205  -27.617 1.00 32.97 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.186 -1.713  -29.669 1.00 33.86 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.317 -0.187  -28.070 1.00 31.37 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.704 -0.479  -29.341 1.00 33.62 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.790 -5.138  -27.591 1.00 17.27 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -20.038 -5.657  -28.187 1.00 17.62 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.863 -4.468  -28.694 1.00 17.92 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.877 -3.445  -28.059 1.00 17.78 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.828 -6.485  -27.156 1.00 16.97 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.992 -7.685  -26.676 1.00 17.50 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.179 -6.884  -27.755 1.00 16.44 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.450 -8.611  -27.784 1.00 16.96 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.460 -4.637  -29.857 1.00 16.64 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.449 -3.664  -30.396 1.00 17.26 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.709 -4.418  -30.787 1.00 17.94 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.655 -5.627  -31.081 1.00 18.95 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.866 -2.877  -31.569 1.00 19.77 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.532 -3.784  -32.597 1.00 20.08 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.683 -2.014  -31.170 1.00 23.96 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.852 -3.731  -30.754 1.00 15.88 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.142 -4.378  -31.074 1.00 17.21 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.432 -4.353  -32.577 1.00 16.87 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.098 -3.327  -33.242 1.00 17.73 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.208 -3.627  -30.288 1.00 16.94 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -27.011 -3.700  -28.785 1.00 17.42 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.917 -2.750  -28.025 1.00 18.61 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.180 -5.138  -28.277 1.00 18.51 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -27.042 -5.389  -33.069 1.00 16.52 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.431 -5.564  -34.496 1.00 16.96 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.920 -5.167  -34.650 1.00 17.30 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.793 -5.967  -34.352 1.00 15.65 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.135 -6.984  -34.991 1.00 16.69 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.440 -7.245  -36.460 1.00 23.01 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.078 -6.370  -37.077 1.00 20.35 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.081 -8.332  -36.982 1.00 21.82 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.154 -3.925  -35.094 0.25 18.08 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.168 -3.939  -35.112 0.25 19.00 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.485 -3.328  -35.406 0.25 19.02 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.527 -3.366  -35.320 0.25 20.45 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.380 -4.297  -36.175 0.25 17.94 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.395 -4.281  -36.190 0.25 18.79 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.589 -4.303  -35.919 0.25 16.85 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.614 -4.266  -35.990 0.25 17.60 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.321 -2.097  -36.306 0.25 19.65 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.422 -1.983  -35.976 0.25 22.69 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.433 -1.010  -35.729 0.25 21.08 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.991 -0.871  -35.034 0.25 25.53 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.494 0.281   -36.532 0.25 20.95 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.517 -0.525  -35.156 0.25 28.44 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.953 1.340   -35.707 0.25 20.81 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.229 0.582   -36.071 0.25 30.98 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.631 1.902   -34.729 0.25 19.87 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.884 0.454   -37.350 0.25 33.54 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.877 1.530   -34.517 0.25 20.76 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.792 -0.737  -37.913 0.25 34.71 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -29.082 2.836   -33.983 0.25 21.24 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.633 1.529   -38.072 0.25 35.67 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.811 -5.027  -37.138 1.00 17.88 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.585 -5.880  -38.058 1.00 18.54 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.262 -7.046  -37.338 1.00 16.58 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.264 -7.563  -37.855 1.00 17.24 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.713 -6.307  -39.242 1.00 22.40 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.495 -5.165  -40.213 1.00 29.36 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.218 -4.163  -40.197 1.00 36.16 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.511 -5.325  -41.079 1.00 38.91 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.709 -7.481  -36.185 1.00 15.02 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.257 -8.585  -35.394 1.00 14.81 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.308 -8.092  -34.406 1.00 13.86 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.947 -8.944  -33.769 1.00 14.24 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.179 -9.367  -34.632 1.00 14.56 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.594 -8.544  -33.616 1.00 14.53 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.150 -9.915  -35.609 1.00 16.26 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.401 -6.784  -34.173 1.00 13.86 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.206 -6.252  -33.037 1.00 13.40 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.694 -6.432  -33.315 1.00 15.12 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.174 -6.155  -34.431 1.00 14.77 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.884 -4.807  -32.814 1.00 14.50 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.453 -6.786  -32.301 1.00 13.84 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.918 -6.567  -32.297 1.00 13.58 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.189 -5.126  -32.751 1.00 12.97 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.489 -4.185  -32.391 1.00 12.90 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.425 -6.911  -30.903 1.00 13.76 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.901 -6.685  -30.761 1.00 16.64 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.349 -5.577  -30.577 1.00 15.57 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.645 -7.751  -30.848 1.00 20.63 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.250 -4.951  -33.502 1.00 13.52 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.602 -3.686  -34.168 1.00 13.91 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -40.006 -2.596  -33.180 1.00 14.37 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.101 -1.455  -33.647 1.00 15.50 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.702 -3.924  -35.172 1.00 16.40 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.842 -4.403  -34.483 1.00 19.15 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.196 -2.870  -31.895 1.00 13.68 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.490 -1.831  -30.883 1.00 13.29 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.241 -1.373  -30.158 1.00 13.52 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.344 -0.429  -29.399 1.00 14.09 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.481 -2.372  -29.890 1.00 14.92 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.865 -2.463  -30.454 1.00 16.21 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.258 -3.037  -31.631 1.00 17.54 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -44.055 -2.037  -29.785 1.00 18.18 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.627 -2.936  -31.770 1.00 21.15 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.134 -2.367  -30.638 1.00 17.65 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.304 -1.391  -28.570 1.00 19.67 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.459 -2.065  -30.279 1.00 21.39 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.613 -1.103  -28.217 1.00 21.75 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.666 -1.465  -29.054 1.00 22.67 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -38.061 -1.948  -30.467 1.00 13.51 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.849 -1.536  -29.723 1.00 13.69 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.230 -0.290  -30.378 1.00 14.95 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.240 -0.130  -31.611 1.00 14.67 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.822 -2.680  -29.708 1.00 12.70 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.276 -3.944  -28.989 1.00 14.41 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.170 -4.985  -28.969 1.00 14.11 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.719 -3.649  -27.588 1.00 15.58 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.589 0.483   -29.526 1.00 14.09 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.805 1.677   -29.933 1.00 14.47 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.366 1.451   -29.492 1.00 15.39 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.090 1.364   -28.271 1.00 15.56 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.363 2.954   -29.321 1.00 16.40 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.841 3.190   -29.710 1.00 17.17 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.471 4.162   -29.690 1.00 17.44 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.498 4.274   -28.956 1.00 19.03 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.512 1.320   -30.492 1.00 17.06 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -31.057 1.131   -30.276 1.00 18.40 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.380 2.473   -30.471 1.00 19.64 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.646 3.173   -31.508 1.00 20.71 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.518 0.053   -31.201 1.00 18.98 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.046 -1.313  -30.781 1.00 21.51 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.993 0.054   -31.188 1.00 18.33 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.850 -2.320  -31.782 1.00 24.73 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.501 2.831   -29.558 1.00 18.01 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.810 4.125   -29.620 1.00 17.77 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.874 4.195   -30.838 1.00 17.31 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.495 3.183   -31.425 1.00 18.27 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -28.074 4.307   -28.345 1.00 18.28 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -27.059 3.312   -28.214 1.00 18.77 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.522 5.432   -31.225 1.00 21.34 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.634 5.711   -32.371 1.00 22.81 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.340 4.902   -32.263 1.00 19.86 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.899 4.388   -33.285 1.00 23.02 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.330 7.210   -32.379 1.00 26.28 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.346 7.615   -33.448 1.00 31.09 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.458 9.082   -33.760 1.00 29.81 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.280 9.967   -32.555 1.00 34.74 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.453 11.371  -32.974 1.00 37.78 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.788 4.799   -31.056 1.00 21.54 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.495 4.097   -30.822 1.00 21.01 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.695 2.574   -30.774 1.00 19.87 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.667 1.861   -30.639 1.00 19.34 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.783 4.637   -29.584 1.00 21.69 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.421 4.346   -28.243 1.00 22.48 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.501 3.678   -28.192 1.00 22.70 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.833 4.792   -27.264 1.00 27.12 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.931 2.094   -30.881 1.00 18.15 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.258 0.642   -30.882 1.00 17.20 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.815 0.015   -29.532 1.00 14.63 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.641 -1.213  -29.500 1.00 15.47 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.708 -0.034  -32.149 1.00 21.79 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.281 0.577   -33.431 1.00 25.98 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.833 -0.032  -34.733 1.00 34.16 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.399 -0.203  -34.878 1.00 45.03 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.736 -1.363  -34.764 1.00 58.82 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.369 -2.501  -34.480 1.00 55.97 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.423 -1.378  -34.950 1.00 63.13 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.757 0.776   -28.460 1.00 14.96 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.384 0.244   -27.124 1.00 16.52 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.540 0.249   -26.123 1.00 15.94 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.345 -0.281  -24.995 1.00 16.51 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.199 1.015   -26.541 1.00 17.76 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.994 0.887   -27.460 1.00 19.58 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.144 -0.319  -27.186 1.00 21.42 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.366 -0.108  -25.966 1.00 22.76 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.606 -1.048  -25.404 1.00 22.19 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.515 -2.235  -25.958 1.00 23.42 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.936 -0.773  -24.307 1.00 22.63 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.703 0.828   -26.427 1.00 13.80 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.877 0.847   -25.534 1.00 14.30 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.121 0.461   -26.320 1.00 13.42 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.208 0.687   -27.546 1.00 15.10 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -28.141 2.209   -24.905 1.00 16.99 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.907 2.861   -24.366 1.00 21.08 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.276 4.089   -23.573 1.00 25.13 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.419 4.291   -23.163 1.00 28.40 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.277 4.908   -23.344 1.00 31.54 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -30.038 -0.189  -25.601 1.00 12.67 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.343 -0.573  -26.200 1.00 13.02 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.426 -0.384  -25.153 1.00 13.14 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.246 -0.766  -24.009 1.00 12.84 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.307 -1.978  -26.814 1.00 12.10 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.887 -3.056  -25.801 1.00 12.20 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.641 -2.344  -27.442 1.00 13.39 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.583 0.105   -25.564 1.00 13.02 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.755 0.178   -24.676 1.00 14.25 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -36.008 -0.125  -25.477 1.00 14.54 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -36.008 -0.041  -26.734 1.00 13.18 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.896 1.549   -24.012 1.00 15.42 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.186 2.679   -24.977 1.00 18.02 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.076 4.008   -24.233 1.00 21.59 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.362 5.115   -25.123 1.00 26.54 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.556 5.603   -25.411 1.00 24.66 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.656 5.072   -24.924 1.00 29.90 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.635 6.645   -26.244 1.00 30.01 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -37.059 -0.439  -24.729 0.25 14.20 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -37.083 -0.492  -24.783 0.25 15.72 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.428 -0.653  -25.250 0.25 15.59 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.376 -0.794  -25.455 0.25 18.08 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -39.012 0.706   -25.648 0.25 15.90 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.167 0.504   -25.617 0.25 17.62 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.957 1.653   -24.857 0.25 15.33 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.496 1.127   -24.579 0.25 16.87 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.300 -1.325  -24.185 0.25 15.85 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.243 -1.800  -24.695 0.25 20.50 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.704 -1.664  -24.673 0.25 17.45 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.597 -2.021  -25.399 0.25 24.05 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.673 -2.762  -26.142 0.25 18.03 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.262 -3.688  -25.169 0.25 27.42 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.250 -3.602  -25.988 0.25 18.50 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.349 -3.803  -26.589 0.25 26.64 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.493 0.821   -26.877 1.00 16.32 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.267 2.008   -27.286 1.00 18.04 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.725 1.856   -26.891 1.00 18.45 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.141 0.750   -26.472 1.00 18.66 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.485 2.962   -26.955 1.00 23.02 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.922 2.897   -26.556 1.00 26.76 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.776 2.522   -27.784 1.00 27.41 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -46.000 2.375   -27.617 1.00 28.58 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.378 4.181   -25.842 1.00 34.25 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.937 4.295   -24.378 1.00 45.87 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.737 3.238   -23.719 1.00 49.86 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.810 5.440   -23.882 1.00 48.80 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.160 2.223   -28.928 1.00 21.52 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.869 1.917   -30.206 1.00 20.53 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.923 1.205   -31.182 1.00 18.07 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.642 1.184   -30.986 1.00 16.52 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.417 3.221   -30.802 1.00 22.18 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.298 2.888   -31.863 1.00 23.53 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.317 4.098   -31.357 1.00 24.98 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.432 0.698   -32.298 1.00 18.81 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.605 0.256   -33.462 1.00 17.84 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.657 1.362   -33.919 1.00 19.55 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.125 2.518   -34.139 1.00 20.67 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.531 -0.243  -34.583 1.00 18.27 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.877 -0.892  -35.760 1.00 16.71 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.126 -0.211  -36.709 1.00 17.59 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.981 -2.158  -36.202 1.00 16.37 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.758 -1.063  -37.659 1.00 17.57 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.279 -2.288  -37.352 1.00 17.53 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.377 1.037   -34.180 1.00 17.52 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.327 2.039   -34.470 1.00 18.31 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.134 2.344   -35.967 1.00 19.95 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.079 2.915   -36.370 1.00 21.10 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -39.024 1.627   -33.786 1.00 17.99 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.137 1.711   -32.296 1.00 17.22 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.608 3.045   -31.780 1.00 17.13 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.579 3.154   -31.037 1.00 19.73 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.995 4.109   -32.260 1.00 16.50 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.098 1.984   -36.792 1.00 18.15 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.181 2.455   -38.209 1.00 16.39 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.085 1.811   -39.046 1.00 18.14 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.594 2.426   -39.986 1.00 21.85 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.273 3.991   -38.306 1.00 18.00 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.876 4.420   -39.635 1.00 18.05 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.734 3.735   -40.187 1.00 16.87 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.416 5.542   -40.179 1.00 16.31 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.761 0.551   -38.764 1.00 18.91 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.778 -0.261  -39.530 1.00 19.67 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.549 -1.301  -40.358 1.00 17.71 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.633 -1.683  -39.925 1.00 19.46 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.773 -0.941  -38.585 1.00 20.49 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.898 0.083   -37.900 1.00 23.40 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.445 -1.833  -37.551 1.00 20.91 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.970 -1.775  -41.461 1.00 20.93 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.516 -2.914  -42.234 1.00 21.45 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.329 -4.220  -41.459 1.00 21.59 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.401 -4.335  -40.650 1.00 19.74 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.913 -2.994  -43.633 1.00 24.33 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.507 -3.130  -43.555 1.00 26.45 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.167 -5.197  -41.730 1.00 20.85 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -40.013 -6.542  -41.144 1.00 20.26 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.952 -7.277  -41.956 1.00 22.53 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.681 -6.913  -43.114 1.00 23.11 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.340 -7.274  -41.097 1.00 22.96 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.247 -8.531  -40.263 1.00 27.47 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.534 -8.529  -39.167 1.00 20.66 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -41.786 -9.537  -40.766 1.00 33.85 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.308 -8.259  -41.319 1.00 19.86 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.305 -9.124  -41.980 1.00 21.44 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.248 -10.439 -41.202 1.00 22.87 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.846 -10.540 -40.114 1.00 21.59 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.963 -8.444  -42.146 1.00 20.34 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.233 -8.246  -40.832 1.00 21.13 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.019 -9.203  -40.097 1.00 22.87 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.907 -7.035  -40.505 1.00 20.14 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.606 -11.442 -41.769 1.00 21.65 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.672 -12.804 -41.198 1.00 23.41 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.768 -12.893 -39.952 1.00 20.36 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.961 -13.872 -39.173 1.00 20.91 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.174 -13.816 -42.243 1.00 25.91 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.741 -13.577 -42.684 1.00 31.02 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.316 -14.292 -43.971 1.00 40.78 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.815 -14.492 -44.026 1.00 45.76 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.481 -15.799 -44.634 1.00 51.11 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.843 -11.948 -39.771 1.00 19.68 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.949 -11.938 -38.562 1.00 19.52 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.679 -11.423 -37.295 1.00 18.54 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.244 -11.748 -36.164 1.00 18.46 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.732 -11.064 -38.813 1.00 23.02 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.820 -11.526 -39.936 1.00 29.66 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.626 -10.595 -40.063 1.00 37.24 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.593 -9.816  -41.041 1.00 48.96 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.749 -10.603 -39.174 1.00 47.74 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.699 -10.583 -37.412 1.00 16.89 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.248 -9.890  -36.219 1.00 16.06 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.980 -10.839 -35.274 1.00 15.55 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.845 -11.653 -35.695 1.00 16.62 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.246 -8.794  -36.617 1.00 15.03 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.675 -7.641  -37.401 1.00 16.65 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.624 -6.431  -37.301 1.00 15.11 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.109 -5.419  -38.199 1.00 16.52 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -36.018 -4.697  -37.978 1.00 16.27 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.374 -4.731  -36.811 1.00 16.05 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.581 -3.863  -38.913 1.00 19.69 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.699 -10.769 -33.975 1.00 13.70 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.503 -11.479 -32.967 1.00 13.25 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.919 -10.869 -32.985 1.00 15.65 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -39.072 -9.664  -32.710 1.00 16.47 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.885 -11.391 -31.578 1.00 12.98 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.644 -12.236 -31.457 1.00 12.84 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.757 -13.599 -31.230 1.00 13.44 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.388 -11.655 -31.504 1.00 14.01 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.623 -14.383 -31.051 1.00 14.40 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.264 -12.455 -31.336 1.00 14.16 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.396 -13.812 -31.131 1.00 13.33 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.924 -11.672 -33.272 1.00 16.12 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.300 -11.138 -33.441 1.00 17.32 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.059 -11.028 -32.117 1.00 17.08 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.849 -10.064 -31.967 1.00 19.78 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -42.053 -11.986 -34.449 1.00 17.69 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.197 -13.311 -34.020 1.00 17.93 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.938 -11.971 -31.207 1.00 15.59 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.865 -12.128 -30.059 1.00 16.41 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.376 -11.389 -28.810 1.00 15.85 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.182 -11.206 -27.844 1.00 18.12 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.155 -13.576 -29.698 1.00 17.26 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.064 -14.283 -30.699 1.00 21.90 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.916 -14.110 -31.905 1.00 24.14 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.981 -15.097 -30.176 1.00 24.21 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.068 -11.130 -28.726 1.00 13.99 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.476 -10.658 -27.460 1.00 13.77 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.511 -9.519  -27.756 1.00 13.31 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.942 -9.429  -28.845 1.00 13.98 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.694 -11.792 -26.785 1.00 13.81 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.398 -13.127 -26.721 1.00 15.20 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.460 -13.296 -25.851 1.00 17.97 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -40.053 -14.198 -27.544 1.00 15.44 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -42.133 -14.519 -25.756 1.00 20.11 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.760 -15.393 -27.514 1.00 17.16 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.768 -15.566 -26.581 1.00 18.64 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.426 -16.773 -26.495 1.00 19.71 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.200 -8.668  -26.738 1.00 12.70 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.340 -7.501  -26.957 1.00 12.93 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.825 -7.799  -26.953 1.00 11.65 ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -36.072 -7.282  -26.149 1.00 13.03 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.693 -6.568  -25.773 1.00 14.31 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.938 -7.181  -25.136 1.00 14.75 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.846 -8.635  -25.435 1.00 13.80 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.444 -8.696  -27.875 1.00 12.17 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.077 -9.277  -27.978 1.00 10.98 ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.277 -8.686  -29.118 1.00 11.20 ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.810 -8.168  -30.129 1.00 11.76 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.177 -10.792 -28.153 1.00 11.36 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.755 -11.468 -26.945 1.00 11.20 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.260 -13.182 -27.362 1.00 13.37 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.896 -13.821 -25.822 1.00 13.68 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.956 -8.737  -28.960 1.00 11.06 ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.996 -8.245  -29.976 1.00 12.06 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.692 -9.018  -29.755 1.00 12.69 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.404 -9.437  -28.599 1.00 12.06 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.811 -6.715  -29.920 1.00 12.00 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.255 -6.268  -28.592 1.00 12.59 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.934 -6.189  -31.067 1.00 12.28 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.936 -9.211  -30.829 1.00 12.11 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.598 -9.847  -30.760 1.00 12.27 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.473 -8.840  -30.888 1.00 13.11 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.599 -7.776  -31.580 1.00 13.91 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.422 -10.898 -31.857 1.00 13.08 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.485 -11.972 -31.917 1.00 14.17 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.192 -13.048 -32.944 1.00 15.53 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.687 -12.646 -30.574 1.00 13.67 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.322 -9.183  -30.308 1.00 12.35 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -25.060 -8.507  -30.660 1.00 13.80 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.661 -8.813  -32.098 1.00 13.31 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.999 -9.877  -32.642 1.00 13.90 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.888 -7.924  -32.695 1.00 15.36 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.395 -8.068  -34.076 1.00 18.20 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.272 -9.105  -34.123 1.00 18.84 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.122 -9.782  -35.180 1.00 22.82 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.953 -6.716  -34.525 1.00 18.97 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.540 -9.245  -33.021 1.00 17.57 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.347 -10.123 -33.004 1.00 17.25 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.802 -11.581 -33.051 1.00 18.61 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.809 -11.950 -32.416 1.00 18.25 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.471 -9.801  -31.779 1.00 19.72 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.784 -8.436  -31.816 1.00 21.53 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.744 -7.261  -31.727 1.00 21.31 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.715 -7.300  -30.983 1.00 18.67 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.505 -6.206  -32.477 1.00 23.63 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -20.052 -12.423 -33.763 1.00 18.98 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.201 -13.885 -33.781 1.00 18.66 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.919 -14.527 -33.242 1.00 17.15 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.827 -14.060 -33.603 1.00 20.47 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.373 -14.434 -35.207 1.00 24.27 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.729 -14.231 -35.883 1.00 32.18 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.284 -12.828 -35.785 1.00 34.48 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.207 -12.233 -36.767 1.00 39.66 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.849 -12.809 -37.790 1.00 41.65 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.648 -12.059 -38.534 1.00 46.61 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.720 -14.086 -38.090 1.00 43.04 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -19.046 -15.476 -32.336 1.00 16.85 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.886 -16.140 -31.672 1.00 17.38 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.939 -17.643 -31.957 1.00 16.51 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.958 -18.280 -31.717 1.00 14.45 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.958 -15.856 -30.154 1.00 18.85 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.947 -14.383 -29.803 1.00 20.35 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.924 -13.564 -30.270 1.00 23.68 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.916 -13.824 -29.007 1.00 27.77 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.876 -12.212 -29.964 1.00 25.99 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.846 -12.475 -28.679 1.00 22.16 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.853 -11.677 -29.186 1.00 23.75 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.839 -18.227 -32.450 0.25 16.14 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.840 -18.214 -32.465 0.25 16.60 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.742 -19.688 -32.706 0.25 16.24 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.710 -19.670 -32.732 0.25 17.06 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.508 -20.291 -32.012 0.25 15.85 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.418 -20.225 -32.129 0.25 17.13 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.313 -21.520 -32.092 0.25 15.73 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -15.007 -21.320 -32.540 0.25 16.47 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.778 -19.958 -34.186 0.25 16.57 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.731 -19.933 -34.193 0.25 17.33 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.102 -19.756 -34.700 0.25 16.59 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.679 -19.232 -34.814 0.25 17.40 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.736 -19.472 -31.298 0.25 15.22 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.786 -19.483 -31.224 0.25 17.31 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.528 -19.915 -30.563 0.25 16.15 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.531 -19.896 -30.560 0.25 18.89 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.211 -18.928 -29.435 0.25 17.30 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.139 -18.882 -29.487 0.25 18.89 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.817 -17.856 -29.414 0.25 17.43 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.567 -17.721 -29.597 0.25 18.38 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.373 -20.033 -31.536 0.25 16.50 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.433 -20.032 -31.586 0.25 20.78 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.924 -18.748 -31.914 0.25 15.74 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.211 -20.313 -30.931 0.25 23.97 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.296 -19.298 -28.540 1.00 19.20 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.665 -18.341 -27.613 1.00 20.44 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.504 -18.055 -26.379 1.00 17.92 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.522 -18.724 -26.121 1.00 17.95 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -12.016 -17.086 -25.639 1.00 17.17 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.610 -16.593 -24.396 1.00 17.42 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -13.024 -15.152 -24.648 1.00 16.70 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.229 -14.354 -25.158 1.00 19.26 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.593 -16.775 -23.271 1.00 18.86 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.156 -18.211 -22.977 1.00 20.02 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -10.055 -18.263 -21.875 1.00 24.33 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.619  -19.665 -21.507 1.00 28.10 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.554  -19.633 -20.478 1.00 31.78 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.237 -14.806 -24.227 1.00 15.09 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.866 -13.491 -24.445 1.00 14.63 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.533 -13.037 -23.148 1.00 13.94 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.119 -13.859 -22.454 1.00 15.78 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.979 -13.599 -25.475 1.00 16.34 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.533 -13.743 -26.913 1.00 18.39 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.749 -15.318 -27.436 1.00 20.06 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.990 -16.521 -26.987 1.00 20.15 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.485 -11.765 -22.851 1.00 14.07 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.105 -11.193 -21.639 1.00 14.76 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.714 -9.849  -22.008 1.00 15.11 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -16.054 -9.009  -22.687 1.00 16.54 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -15.059 -11.053 -20.526 1.00 16.83 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.584 -10.437 -19.260 1.00 15.85 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.287 -11.211 -18.358 1.00 15.28 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.405 -9.087  -18.988 1.00 17.20 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.818 -10.661 -17.198 1.00 16.49 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.920 -8.525  -17.836 1.00 16.31 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.623 -9.307  -16.946 1.00 16.37 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.105 -8.729  -15.815 1.00 17.77 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.910 -9.579  -21.507 1.00 13.14 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.527 -8.237  -21.594 1.00 13.40 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.437 -7.978  -20.386 1.00 13.28 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.746 -8.922  -19.612 1.00 13.84 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.278 -8.032  -22.927 1.00 12.80 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.454 -8.912  -23.183 1.00 13.42 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.789 -8.632  -22.954 1.00 13.05 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.432 -10.227 -23.762 1.00 13.71 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.570 -9.682  -23.385 1.00 13.42 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.761 -10.699 -23.826 1.00 14.14 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.399 -11.080 -24.177 1.00 16.65 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.093 -11.934 -24.349 1.00 14.53 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.722 -12.320 -24.673 1.00 17.60 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -21.049 -12.750 -24.732 1.00 15.74 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.826 -6.709  -20.181 1.00 13.44 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.647 -6.273  -19.021 1.00 12.68 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.864 -5.511  -19.501 1.00 13.18 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.750 -4.783  -20.491 1.00 13.63 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.841 -5.424  -18.035 1.00 13.90 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.761 -6.283  -17.373 1.00 16.78 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.901 -5.548  -16.361 1.00 20.78 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.124 -4.302  -16.190 1.00 23.88 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -17.026 -6.215  -15.695 1.00 19.99 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.980 -5.737  -18.823 1.00 13.84 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.253 -5.089  -19.159 1.00 12.90 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.816 -4.404  -17.911 1.00 12.88 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.908 -5.049  -16.850 1.00 13.32 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.260 -6.106  -19.716 1.00 12.87 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.500 -5.346  -20.139 1.00 14.52 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.672 -6.919  -20.849 1.00 14.74 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.274 -3.159  -18.068 1.00 13.34 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.940 -2.362  -17.007 1.00 14.85 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.428 -2.666  -17.060 1.00 13.19 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -28.050 -2.581  -18.181 1.00 14.00 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.662 -0.865  -17.171 1.00 17.27 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -26.044 -0.040  -15.948 1.00 20.42 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.207 -0.045  -15.586 1.00 19.97 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.123 0.444   -15.247 1.00 26.89 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.991 -3.080  -15.928 1.00 13.63 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.423 -3.440  -15.753 1.00 14.50 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.107 -2.508  -14.724 1.00 14.79 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.189 -2.844  -14.224 1.00 14.65 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.570 -4.938  -15.387 1.00 14.12 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -29.013 -5.821  -16.539 1.00 13.98 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.946 -5.317  -14.059 1.00 14.47 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.468 -1.399  -14.357 1.00 14.87 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.986 -0.488  -13.321 1.00 16.62 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.473 -0.185  -13.548 1.00 17.40 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.880 0.194   -14.671 1.00 16.63 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.173 0.807   -13.325 1.00 17.25 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.807 0.543   -13.001 1.00 20.50 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.797 1.714   -12.287 1.00 19.74 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.230 -0.324  -12.448 1.00 19.20 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.665 0.018   -12.238 1.00 22.56 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.604 -0.806  -13.113 1.00 24.01 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.784 -0.465  -13.168 1.00 25.85 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.886 1.521   -12.377 1.00 29.02 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.755 2.068   -13.782 1.00 37.78 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.704 3.213   -14.059 1.00 44.05 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.325 4.237   -14.640 1.00 48.30 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.969 3.007   -13.717 1.00 49.04 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.146 -1.855  -13.793 1.00 15.52 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -35.099 -2.691  -14.535 1.00 14.80 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.787 -3.716  -13.630 1.00 14.36 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.129 -4.247  -12.669 1.00 17.40 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.342 -3.368  -15.676 1.00 15.18 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.908 -2.387  -16.788 1.00 15.55 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.409 -3.055  -18.048 1.00 16.65 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.493 -3.767  -18.835 1.00 15.02 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.672 -2.890  -19.164 1.00 14.10 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -37.031 -4.035  -13.937 1.00 13.43 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.829 -5.042  -13.217 1.00 13.71 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.734 -6.405  -13.924 1.00 13.45 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.115 -7.428  -13.350 1.00 13.37 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.317 -4.630  -13.181 1.00 14.92 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.582 -3.363  -12.419 1.00 15.82 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -41.053 -2.939  -12.540 1.00 16.83 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.468 -2.088  -11.731 1.00 19.69 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.778 -3.458  -13.438 1.00 19.38 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.360 -6.429  -15.205 1.00 12.70 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.376 -7.687  -15.977 1.00 11.35 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.369 -7.559  -17.111 1.00 13.34 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.330 -6.513  -17.778 1.00 12.53 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.746 -8.022  -16.517 1.00 13.04 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.655 -8.641  -17.403 1.00 12.18 ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.661 -8.713  -18.505 1.00 11.97 ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.151 -10.133 -18.595 1.00 12.12 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.241 -10.879 -17.609 1.00 12.08 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.499 -7.736  -18.302 1.00 12.70 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.823 -7.778  -16.965 1.00 12.25 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -33.063 -6.945  -15.912 1.00 13.72 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.868 -8.731  -16.438 1.00 12.29 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.306 -7.247  -14.829 1.00 13.61 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.571 -8.380  -15.113 1.00 13.43 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.238 -9.864  -16.986 1.00 13.02 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.661 -9.053  -14.323 1.00 13.51 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.351 -10.559 -16.202 1.00 13.23 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -30.076 -10.164 -14.886 1.00 14.14 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.622 -10.492 -19.759 1.00 11.59 ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.864 -11.756 -19.975 1.00 11.45 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.507 -11.376 -20.589 1.00 11.57 ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.480 -10.462 -21.421 1.00 11.64 ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.573 -12.715 -20.928 1.00 13.23 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -35.065 -12.949 -20.761 1.00 15.88 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.496 -12.933 -19.637 1.00 20.97 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.737 -13.126 -21.810 1.00 19.43 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.423 -12.035 -20.208 1.00 10.59 ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.082 -11.789 -20.762 1.00 10.46 ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.382 -13.127 -20.946 1.00 10.36 ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.504 -14.024 -20.098 1.00 10.84 ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.258 -10.939 -19.808 1.00 11.01 ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.620 -9.471  -19.681 1.00 12.30 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.778 -8.856  -18.564 1.00 12.67 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.389 -8.748  -20.974 1.00 12.35 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.527 -13.156 -21.958 1.00 9.67  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.580 -14.271 -22.093 1.00 11.67 ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -26.039 -14.345 -23.510 1.00 10.19 ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.670 -13.342 -24.088 1.00 10.42 ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.938 -15.572 -24.030 0.25 10.37 ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -26.040 -15.543 -24.074 0.25 10.76 ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.545 -15.870 -25.436 0.25 10.52 ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.490 -15.809 -25.424 0.25 11.15 ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.558 -16.829 -26.051 0.25 10.65 ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.387 -16.891 -26.044 0.25 11.07 ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.281 -17.554 -25.342 0.25 10.99 ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.954 -17.692 -25.293 0.25 11.20 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.143 -16.488 -25.572 0.25 10.74 ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -24.001 -16.189 -25.300 0.25 12.08 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.078 -15.474 -25.230 0.25 10.46 ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.820 -17.545 -24.638 0.25 11.92 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.985 -17.744 -24.732 0.25 10.65 ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.272 -16.132 -26.624 0.25 12.63 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.539 -16.894 -27.367 1.00 10.58 ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.364 -17.873 -28.082 1.00 11.90 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.685 -18.280 -29.382 1.00 11.81 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.794 -17.566 -29.906 1.00 11.79 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.769 -17.357 -28.361 1.00 12.42 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.852 -15.941 -29.475 1.00 13.75 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.136 -19.394 -29.935 0.25 12.31 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.106 -19.414 -29.929 0.25 12.09 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.713 -19.817 -31.288 0.25 13.05 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.645 -19.891 -31.259 0.25 12.68 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.127 -18.767 -32.312 0.25 12.40 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.154 -18.917 -32.340 0.25 12.32 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.185 -18.139 -32.174 0.25 12.00 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.318 -18.463 -32.237 0.25 12.12 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.364 -21.143 -31.665 0.25 13.75 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.146 -21.326 -31.471 0.25 13.06 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.933 -22.260 -30.742 0.25 14.26 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.480 -22.064 -32.622 0.25 13.31 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.479 -23.583 -31.216 0.25 15.47 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -27.065 -23.439 -32.827 0.25 13.14 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.142 -24.638 -30.275 0.25 14.59 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.899 -24.264 -31.648 0.25 13.30 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.960 -25.623 -29.954 0.25 14.46 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.897 -24.855 -30.983 0.25 13.04 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.175 -25.671 -30.468 0.25 14.21 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.133 -24.753 -31.415 0.25 14.50 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.566 -26.539 -29.092 0.25 15.56 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.646 -25.569 -29.904 0.25 12.70 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.326 -18.613 -33.350 1.00 13.44 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.734 -17.709 -34.447 1.00 14.60 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -28.034 -18.223 -35.057 1.00 15.81 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.753 -17.383 -35.657 1.00 19.69 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.606 -17.620 -35.472 1.00 17.51 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.200 -18.900 -36.156 1.00 22.06 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.658 -20.015 -35.774 1.00 24.99 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.417 -18.764 -37.133 1.00 26.23 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.316 -19.523 -35.027 1.00 14.29 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.483 -20.124 -35.721 1.00 15.78 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.745 -20.265 -34.850 1.00 15.04 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.647 -20.997 -35.226 1.00 16.55 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.078 -21.442 -36.334 1.00 18.36 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.589 -22.292 -35.384 1.00 19.48 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.836 -19.598 -33.695 1.00 13.71 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -32.054 -19.689 -32.863 1.00 13.99 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.249 -19.209 -33.679 1.00 13.41 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.129 -18.274 -34.498 1.00 14.05 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.948 -18.952 -31.510 1.00 13.98 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.933 -19.612 -30.612 1.00 13.62 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.707 -17.464 -31.618 1.00 13.64 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.378 -19.808 -33.343 1.00 15.43 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.725 -19.402 -33.840 1.00 17.06 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.951 -17.920 -33.534 1.00 15.59 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.677 -17.498 -32.414 1.00 16.46 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.745 -20.288 -33.118 1.00 19.24 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.225 -20.003 -33.386 1.00 22.10 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.127 -20.850 -32.502 1.00 25.71 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.703 -21.833 -31.860 1.00 27.23 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.406 -20.471 -32.420 1.00 26.71 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.519 -17.185 -34.496 1.00 15.51 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.802 -15.728 -34.370 1.00 14.44 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.309 -15.504 -34.241 1.00 15.92 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.658 -14.515 -33.595 1.00 15.76 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.250 -14.880 -35.503 1.00 15.59 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.776 -15.102 -35.812 1.00 15.17 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.876 -14.906 -34.590 1.00 16.49 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.497 -15.338 -34.935 1.00 16.44 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.565 -14.611 -35.540 1.00 16.16 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.810 -13.382 -35.920 1.00 17.97 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.406 -15.152 -35.854 1.00 18.76 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.141 -16.371 -34.819 1.00 15.84 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.595 -16.099 -34.941 1.00 16.38 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.395 -17.000 -34.035 1.00 17.85 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -41.037 -18.194 -33.917 1.00 20.56 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -41.064 -16.264 -36.385 1.00 17.11 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.224 -15.523 -37.419 1.00 17.05 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.146 -13.993 -37.243 1.00 19.19 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.353 -13.308 -38.311 1.00 18.53 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.304 -11.842 -38.111 1.00 20.29 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.480 -16.477 -33.480 1.00 17.80 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.381 -17.271 -32.656 1.00 18.29 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.883 -17.459 -31.246 1.00 19.16 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.906 -16.723 -30.865 1.00 19.15 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.533 -18.352 -30.509 1.00 20.69 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.262 -18.601 -29.084 1.00 22.41 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.178 -19.660 -28.923 1.00 20.25 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.093 -20.590 -29.739 1.00 21.19 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.557 -18.995 -28.360 1.00 27.38 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.559 -17.859 -28.368 1.00 32.97 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.946 -18.296 -28.000 1.00 44.37 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.366 -18.126 -26.858 1.00 54.33 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.654 -18.859 -28.973 1.00 46.57 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.319 -19.477 -27.923 1.00 17.39 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.265 -20.446 -27.565 1.00 17.60 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.775 -20.170 -26.155 1.00 17.52 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.931 -19.055 -25.619 1.00 18.46 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.113 -20.369 -28.567 1.00 17.36 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.477 -19.011 -28.692 1.00 17.64 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.496 -18.602 -27.797 1.00 17.85 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.838 -18.147 -29.700 1.00 18.09 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.898 -17.362 -27.931 1.00 16.07 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.222 -16.916 -29.844 1.00 16.31 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.233 -16.537 -28.976 1.00 16.24 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.236 -21.194 -25.499 0.22 17.70 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.199 -21.213 -25.559 0.25 17.21 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.618 -21.039 -24.159 0.22 18.16 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.561 -21.188 -24.221 0.25 17.49 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.110 -20.854 -24.314 0.22 16.89 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.079 -20.834 -24.363 0.25 16.45 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.518 -21.409 -25.264 0.22 16.50 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.462 -21.241 -25.384 0.25 16.16 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.917 -22.191 -23.253 0.22 20.37 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.732 -22.511 -23.522 0.25 18.95 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.586 -23.405 -23.894 0.22 22.08 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.103 -22.722 -23.198 0.25 20.78 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.530 -20.102 -23.384 1.00 15.46 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -35.073 -19.883 -23.315 1.00 15.97 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.467 -21.092 -22.620 1.00 15.88 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.544 -21.201 -21.391 1.00 17.59 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.749 -18.597 -22.560 1.00 16.55 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.214 -17.314 -23.219 1.00 17.89 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.865 -16.138 -22.317 1.00 19.32 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.594 -17.102 -24.600 1.00 19.08 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.813 -21.991 -23.367 1.00 14.84 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.209 -23.213 -22.813 1.00 15.04 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -32.033 -23.591 -23.698 1.00 12.90 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -32.007 -23.237 -24.875 1.00 13.78 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.159 -24.384 -22.786 1.00 17.58 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.511 -24.731 -24.120 1.00 20.70 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -31.063 -24.324 -23.160 1.00 13.06 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.963 -24.817 -23.975 1.00 13.50 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.438 -25.721 -25.119 1.00 14.24 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.833 -25.618 -26.182 1.00 14.26 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -29.054 -25.560 -22.985 1.00 14.96 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.355 -24.858 -21.652 1.00 14.89 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.841 -24.599 -21.735 1.00 14.78 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.527 -26.470 -24.934 1.00 16.07 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.100 -27.320 -26.028 1.00 18.52 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.495 -26.430 -27.206 1.00 18.40 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.372 -26.866 -28.378 1.00 19.64 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.255 -28.160 -25.487 1.00 23.38 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.845 -28.970 -24.272 1.00 32.72 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.278 -28.414 -22.913 1.00 39.40 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.526 -27.563 -22.303 1.00 25.70 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.365 -28.882 -22.435 1.00 46.43 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.970 -25.209 -26.956 1.00 16.28 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.356 -24.256 -28.015 1.00 14.89 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.200 -23.335 -28.415 1.00 14.02 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.417 -22.498 -29.289 1.00 15.62 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.578 -23.423 -27.588 1.00 16.23 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.859 -24.218 -27.554 1.00 19.04 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.955 -25.288 -28.190 1.00 21.38 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.839 -23.735 -26.800 1.00 20.36 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.988 -23.512 -27.871 1.00 12.60 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.825 -22.729 -28.306 1.00 12.15 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.569 -21.463 -27.490 1.00 11.90 ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.916 -20.571 -28.018 1.00 12.32 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -30.074 -21.383 -26.253 1.00 12.46 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.849 -20.201 -25.378 1.00 11.27 ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.160 -20.560 -24.066 1.00 10.76 ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.599 -21.570 -23.433 1.00 11.49 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.182 -19.528 -25.013 1.00 11.86 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.986 -19.033 -26.193 1.00 10.84 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.866 -19.883 -26.840 1.00 12.06 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.850 -17.728 -26.658 1.00 11.41 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.590 -19.444 -27.929 1.00 13.17 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.601 -17.275 -27.727 1.00 12.88 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.467 -18.144 -28.354 1.00 11.90 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.210 -19.731 -23.607 1.00 10.35 ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.513 -19.850 -22.305 1.00 10.66 ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.677 -18.519 -21.587 1.00 9.31  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.942 -17.561 -21.944 1.00 10.51 ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -26.044 -20.281 -22.487 1.00 10.59 ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.967 -21.663 -23.083 1.00 11.31 ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.892 -22.873 -22.431 1.00 11.54 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -26.004 -21.988 -24.498 1.00 11.57 ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.901 -23.912 -23.368 1.00 12.41 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.962 -23.384 -24.616 1.00 12.32 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -26.036 -21.190 -25.634 1.00 11.36 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -26.014 -24.013 -25.882 1.00 12.77 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.069 -21.816 -26.862 1.00 13.61 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.067 -23.188 -26.981 1.00 12.85 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.716 -18.429 -20.749 1.00 10.54 ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.204 -17.110 -20.268 1.00 10.82 ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.514 -17.171 -18.766 1.00 10.77 ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.790 -18.242 -18.247 1.00 10.47 ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.446 -16.672 -21.055 1.00 12.03 ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.493 -17.605 -20.797 1.00 12.52 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.147 -16.489 -22.530 1.00 12.35 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.537 -15.996 -18.155 1.00 10.01 ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.190 -15.782 -16.827 1.00 10.43 ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.188 -14.642 -17.013 1.00 11.06 ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.124 -13.890 -18.026 1.00 10.95 ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.161 -15.471 -15.724 1.00 11.62 ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.471 -14.117 -15.907 1.00 12.39 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.161 -16.609 -15.621 1.00 12.71 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.599 -13.672 -14.757 1.00 12.83 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.041 -14.507 -16.016 1.00 11.00 ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.056 -13.442 -16.064 1.00 11.64 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.502 -12.999 -14.692 1.00 11.88 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.323 -13.685 -13.693 1.00 12.15 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.218 -13.865 -16.893 1.00 15.01 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.987 -15.027 -16.402 1.00 16.59 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.907 -15.024 -15.389 1.00 17.67 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.125 -16.277 -17.083 1.00 16.97 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.574 -16.209 -15.364 1.00 20.79 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.123 -16.998 -16.388 1.00 17.74 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.516 -16.837 -18.207 1.00 18.69 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.486 -18.288 -16.758 1.00 21.51 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.915 -18.090 -18.593 1.00 20.22 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.861 -18.805 -17.874 1.00 19.35 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.088 -11.780 -14.694 1.00 12.73 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.877 -11.244 -13.594 1.00 12.56 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.343 -11.235 -14.022 1.00 12.19 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.649 -10.756 -15.099 1.00 12.44 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.400 -9.839  -13.263 1.00 13.01 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.236 -9.062  -12.255 1.00 13.48 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.252 -9.771  -10.917 1.00 13.98 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.789 -7.629  -12.128 1.00 15.47 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.219 -11.709 -13.132 1.00 13.73 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.675 -11.718 -13.398 1.00 15.39 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.393 -11.736 -12.059 1.00 16.87 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.099 -12.649 -11.244 1.00 15.48 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -39.025 -12.946 -14.247 1.00 19.46 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.481 -13.191 -14.391 1.00 24.38 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.254 -14.143 -13.781 1.00 24.44 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.358 -12.384 -15.169 1.00 25.80 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.553 -13.995 -14.170 1.00 25.76 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.641 -12.945 -15.040 1.00 24.44 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.175 -11.275 -15.989 1.00 26.75 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.753 -12.410 -15.680 1.00 29.83 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.275 -10.731 -16.605 1.00 30.66 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.549 -11.274 -16.430 1.00 30.33 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.266 -10.755 -11.804 1.00 16.27 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.092 -10.768 -10.562 1.00 16.51 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.221 -10.975 -9.345  1.00 17.42 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.567 -11.830 -8.437  1.00 19.04 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.206 -11.808 -10.696 1.00 19.17 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.127 -11.489 -11.867 1.00 19.45 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.432 -12.250 -11.906 1.00 22.10 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.361 -11.878 -12.649 1.00 24.62 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.526 -13.304 -11.115 1.00 20.33 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.193 -10.169 -9.218  1.00 17.76 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.393 -10.106 -7.988  1.00 22.72 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.625 -11.409 -7.712  1.00 22.09 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -37.053 -11.502 -6.611  1.00 29.72 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.370 -9.854  -6.837  1.00 26.55 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.775 -9.107  -5.687  1.00 35.18 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.759 -8.398  -5.896  1.00 40.68 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.367 -9.223  -4.579  1.00 48.32 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.489 -12.306 -8.687  1.00 18.80 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.591 -13.493 -8.568  1.00 18.84 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.624 -13.574 -9.764  1.00 16.15 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -36.002 -13.217 -10.928 1.00 15.29 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.386 -14.744 -8.333  1.00 25.33 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.994 -15.213 -9.509  1.00 34.18 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.423 -14.045 -9.489  1.00 14.22 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.399 -14.295 -10.535 1.00 13.37 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.355 -15.785 -10.804 1.00 13.36 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.360 -16.581 -9.861  1.00 13.31 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -32.040 -13.785 -10.083 1.00 14.15 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.975 -12.285 -9.841  1.00 15.13 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.216 -11.743 -8.586  1.00 17.38 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.647 -11.419 -10.877 1.00 13.82 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.099 -10.379 -8.345  1.00 17.46 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.571 -10.053 -10.653 1.00 14.37 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.801 -9.535  -9.390  1.00 15.94 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.765 -8.171  -9.166  1.00 16.81 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.325 -16.187 -12.080 0.25 13.35 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.326 -16.160 -12.088 0.25 13.01 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.320 -17.621 -12.475 0.25 13.93 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.360 -17.569 -12.562 0.25 13.32 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.409 -17.844 -13.683 0.25 12.25 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.261 -17.776 -13.612 0.25 11.79 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.359 -16.989 -14.579 0.25 11.48 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.862 -16.807 -14.287 0.25 10.83 ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.730 -18.120 -12.778 0.25 15.56 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.730 -17.922 -13.144 0.25 14.42 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.654 -18.033 -11.569 0.25 17.26 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.880 -17.756 -12.154 0.25 16.40 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.099 -18.369 -11.875 0.25 19.84 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -36.026 -18.887 -11.144 0.25 18.11 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.549 -18.031 -12.987 0.25 21.79 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.613 -20.021 -11.439 0.25 21.74 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.772 -18.972 -11.006 0.25 20.08 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.591 -18.632 -10.088 0.25 23.30 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.760 -19.007 -13.725 1.00 12.46 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.997 -19.444 -14.896 1.00 11.68 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.926 -20.204 -15.847 1.00 12.72 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.797 -21.004 -15.417 1.00 12.71 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.827 -20.312 -14.489 1.00 12.68 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.764 -19.926 -17.133 1.00 13.01 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.584 -20.502 -18.210 1.00 12.83 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.228 -21.938 -18.534 1.00 14.09 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.957 -22.265 -19.670 1.00 16.00 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.208 -22.805 -17.547 1.00 15.93 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.211 -24.260 -17.746 1.00 17.02 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.651 -24.719 -17.999 1.00 17.68 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.580 -23.925 -17.827 1.00 20.05 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.581 -24.917 -16.530 1.00 15.18 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.269 -24.432 -15.366 1.00 14.93 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.118 -24.645 -16.370 1.00 16.61 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.839 -25.996 -18.331 1.00 20.33 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.185 -26.566 -18.529 1.00 23.93 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.364 -27.743 -17.574 1.00 24.96 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.718 -28.768 -17.728 1.00 26.41 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.412 -26.985 -19.969 1.00 29.75 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.774 -27.385 -20.117 1.00 32.97 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.140 -27.610 -16.487 1.00 22.49 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.798 -26.370 -16.102 1.00 23.50 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.814 -25.377 -15.463 1.00 19.27 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.668 -25.732 -15.188 1.00 17.94 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.809 -26.836 -15.057 1.00 26.09 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.125 -28.012 -14.382 1.00 26.15 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.301 -28.681 -15.477 1.00 25.36 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.273 -24.157 -15.250 1.00 19.10 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.428 -23.037 -14.785 1.00 18.68 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.868 -23.319 -13.382 1.00 15.51 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.522 -24.029 -12.587 1.00 17.16 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.153 -21.689 -14.879 1.00 23.19 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.172 -21.419 -13.799 1.00 30.54 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.567 -21.614 -14.323 1.00 42.19 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.856 -22.568 -15.052 1.00 49.57 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.450 -20.728 -13.899 1.00 50.54 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.724 -22.728 -13.076 1.00 13.89 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -33.009 -22.917 -11.805 1.00 12.92 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -33.036 -21.617 -11.018 1.00 13.27 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.571 -20.578 -11.510 1.00 13.22 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.572 -23.379 -12.061 1.00 13.25 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.649 -24.589 -12.797 1.00 14.57 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.800 -23.594 -10.782 1.00 14.73 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.450 -21.687 -9.760  1.00 13.74 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.391 -20.565 -8.792  1.00 15.06 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.977 -20.085 -8.534  1.00 13.96 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -31.080 -20.940 -8.236  1.00 17.13 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -34.043 -21.043 -7.484  1.00 18.74 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.405 -21.318 -7.793  1.00 21.64 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.880 -20.022 -6.389  1.00 21.55 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.703 -18.787 -8.644  1.00 12.76 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.381 -18.203 -8.335  1.00 12.77 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.453 -17.605 -6.931  1.00 16.20 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.571 -17.331 -6.428  1.00 19.80 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.986 -17.136 -9.365  1.00 13.10 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.897 -17.650 -10.811 1.00 12.47 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.647 -16.541 -11.815 1.00 13.23 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.842 -18.741 -10.932 1.00 14.32 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.315 -17.509 -6.275  1.00 15.93 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.208 -17.006 -4.879  1.00 17.49 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.354 -15.755 -4.931  1.00 18.10 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.114 -15.876 -4.902  1.00 24.97 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.597 -18.103 -3.984  1.00 19.31 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.387 -19.384 -3.964  1.00 20.41 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -29.068 -20.493 -4.760  1.00 25.71 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.489 -19.738 -3.270  1.00 24.86 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.988 -21.440 -4.575  1.00 25.34 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.821 -21.029 -3.629  1.00 24.10 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.948 -14.593 -5.078  1.00 20.45 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.174 -13.329 -5.179  1.00 21.38 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.535 -12.466 -3.934  1.00 22.17 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.693 -12.177 -3.723  1.00 28.77 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.428 -12.638 -6.540  1.00 23.10 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.246 -13.578 -7.743  1.00 21.31 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -27.469 -11.461 -6.643  1.00 26.02 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.451 -12.883 -9.086  1.00 22.56 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.558 -12.161 -3.095  1.00 27.08 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.825 -11.376 -1.849  1.00 31.57 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.822 -9.880  -2.191  1.00 28.60 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.601 -9.125  -1.561  1.00 29.33 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.792 -11.758 -0.783  1.00 35.79 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.875 -10.927 0.504   1.00 46.35 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.175 -11.047 1.276   1.00 49.70 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.888 -12.046 1.217   1.00 54.16 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.503 -10.006 2.027   1.00 55.15 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.033 -9.468  -3.181  1.00 24.32 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.896 -8.027  -3.585  1.00 22.41 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.483 -7.847  -4.982  1.00 23.32 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.876 -8.334  -5.933  1.00 20.35 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.426 -7.589  -3.552  1.00 24.23 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.208 -6.172  -4.089  1.00 24.71 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.837 -7.705  -2.147  1.00 26.92 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.705 -7.296  -5.156  1.00 22.20 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.313 -7.161  -6.485  1.00 21.07 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.332 -6.482  -7.428  1.00 20.43 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.838 -5.415  -7.154  1.00 18.84 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.562 -6.306  -6.202  1.00 25.99 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.946 -6.764  -4.787  1.00 25.02 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.625 -6.849  -4.080  1.00 24.79 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.947 -7.098  -8.559  1.00 17.48 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.939 -6.509  -9.418  1.00 16.95 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.415 -5.304  -10.234 1.00 15.73 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.550 -5.323  -10.720 1.00 17.15 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.537 -7.654  -10.350 1.00 17.62 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.613 -8.667  -10.226 1.00 19.21 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.331 -8.462  -8.934  1.00 17.91 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.566 -4.283  -10.335 1.00 16.66 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.787 -3.159  -11.270 1.00 18.10 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -26.000 -3.411  -12.564 1.00 15.75 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.331 -2.817  -13.585 1.00 14.88 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.400 -1.809  -10.708 1.00 21.07 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.437 -1.397  -9.272  1.00 28.33 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.942 -4.238  -12.537 0.25 15.51 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -25.016 -4.314  -12.514 0.25 15.87 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.188 -4.629  -13.767 0.25 15.91 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.163 -4.659  -13.680 0.25 16.87 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.795 -6.107  -13.665 0.25 15.39 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.883 -6.163  -13.626 0.25 15.96 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.388 -6.560  -12.571 0.25 13.86 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.705 -6.715  -12.509 0.25 13.89 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.913 -3.819  -14.036 0.25 17.64 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.872 -3.839  -13.689 0.25 19.70 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.137 -2.337  -14.287 0.25 19.30 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.096 -2.339  -13.753 0.25 21.79 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -23.046 -1.566  -12.996 0.25 21.11 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.833 -1.594  -14.107 0.25 23.00 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.299 -1.937  -12.088 0.25 21.51 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.802 -2.184  -14.435 0.25 28.01 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.815 -0.489  -12.908 0.25 20.95 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.907 -0.281  -14.038 0.25 25.15 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.936 -6.808  -14.794 1.00 14.57 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.748 -8.273  -14.938 1.00 14.20 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.557 -8.449  -15.871 1.00 14.31 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.508 -7.837  -16.951 1.00 13.50 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -25.009 -8.918  -15.525 1.00 15.16 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.272 -8.732  -14.667 1.00 17.94 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.716 -10.391 -15.803 1.00 14.78 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.291 -9.519  -13.448 1.00 17.79 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.614 -9.310  -15.497 1.00 13.88 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.541 -9.715  -16.412 1.00 13.72 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.822 -11.082 -16.994 1.00 13.95 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.348 -11.950 -16.290 1.00 13.21 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.585 -11.231 -18.291 1.00 13.68 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.844 -12.485 -19.035 1.00 12.73 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.531 -12.982 -19.639 1.00 13.09 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.848 -12.227 -20.331 1.00 13.74 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.905 -12.276 -20.133 1.00 13.76 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.209 -11.769 -19.504 1.00 16.26 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.109 -13.547 -20.952 1.00 14.75 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.230 -11.354 -20.478 1.00 20.34 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.167 -14.195 -19.273 1.00 13.36 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.908 -14.837 -19.730 1.00 13.07 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.259 -16.088 -20.522 1.00 12.30 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -19.022 -16.935 -20.049 1.00 13.69 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -17.031 -15.222 -18.542 1.00 14.34 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.780 -15.988 -18.903 1.00 14.78 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.776 -15.351 -19.607 1.00 16.62 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.612 -17.313 -18.542 1.00 16.53 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.599 -16.031 -19.893 1.00 20.15 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.466 -18.008 -18.894 1.00 17.70 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.454 -17.352 -19.539 1.00 17.16 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.682 -16.204 -21.714 1.00 13.08 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.833 -17.408 -22.569 1.00 13.39 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.450 -17.997 -22.858 1.00 13.20 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.590 -17.282 -23.352 1.00 14.91 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.564 -17.099 -23.882 1.00 13.57 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.691 -18.355 -24.756 1.00 14.78 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.920 -16.481 -23.570 1.00 15.24 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.271 -19.262 -22.536 1.00 13.50 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.097 -20.051 -23.021 1.00 14.80 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.619 -21.081 -24.021 1.00 13.24 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.237 -22.089 -23.623 1.00 13.48 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.347 -20.647 -21.854 1.00 14.10 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.064 -21.362 -22.251 1.00 17.61 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.956 -21.836 -23.413 1.00 18.70 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.243 -21.521 -21.308 1.00 21.74 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.400 -20.792 -25.305 1.00 14.28 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.966 -21.614 -26.399 1.00 13.28 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.424 -23.061 -26.346 1.00 15.72 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.177 -24.005 -26.276 1.00 17.54 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.712 -20.974 -27.766 1.00 14.53 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.641 -21.574 -28.791 1.00 14.96 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.449 -22.843 -29.304 1.00 15.17 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.781 -20.900 -29.213 1.00 14.70 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.365 -23.438 -30.139 1.00 15.21 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.689 -21.468 -30.085 1.00 13.72 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.470 -22.739 -30.590 1.00 14.13 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.372 -23.366 -31.413 1.00 14.44 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.109 -23.196 -26.212 1.00 17.80 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.474 -24.541 -26.223 1.00 18.29 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.888 -25.341 -24.993 1.00 17.51 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.154 -26.530 -25.134 1.00 21.26 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.969 -24.402 -26.371 1.00 20.19 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.564 -24.272 -27.845 1.00 26.43 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.924 -22.931 -28.386 1.00 28.33 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.223 -22.859 -29.533 1.00 27.69 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.917 -21.953 -27.601 1.00 33.26 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.968 -24.726 -23.810 1.00 16.30 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.349 -25.395 -22.557 1.00 17.56 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.846 -25.706 -22.498 1.00 16.68 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.250 -26.595 -21.709 1.00 20.23 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.927 -24.516 -21.401 1.00 19.22 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.670 -25.056 -23.326 1.00 14.25 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.121 -25.210 -23.243 1.00 13.59 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.671 -24.574 -21.954 1.00 13.02 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.456 -25.263 -21.254 1.00 13.60 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.259 -23.360 -21.623 1.00 13.38 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.663 -22.659 -20.369 1.00 12.65 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.294 -21.313 -20.711 1.00 12.27 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.711 -20.527 -21.489 1.00 13.18 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.429 -22.488 -19.467 1.00 13.93 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.701 -21.531 -18.319 1.00 15.45 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.975 -23.854 -18.996 1.00 14.95 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.393 -21.005 -20.011 1.00 12.04 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.945 -19.624 -19.950 1.00 11.12 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.144 -19.279 -18.471 1.00 10.86 ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.915 -20.001 -17.804 1.00 12.22 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.276 -19.515 -20.715 1.00 12.27 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.761 -18.057 -20.672 1.00 11.80 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.142 -20.069 -22.126 1.00 12.28 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.489 -18.244 -17.993 1.00 11.33 ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.593 -17.820 -16.586 1.00 12.27 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.057 -16.377 -16.463 1.00 12.02 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.781 -15.547 -17.328 1.00 12.54 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.262 -17.984 -15.906 1.00 13.17 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.897 -19.362 -15.788 1.00 14.14 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.752 -16.099 -15.377 1.00 11.02 ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.362 -14.798 -15.069 1.00 11.52 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.827 -14.324 -13.727 1.00 11.76 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.842 -15.132 -12.758 1.00 11.80 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.897 -14.895 -15.062 1.00 11.29 ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.490 -15.312 -16.374 1.00 10.98 ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.557 -16.658 -16.728 1.00 10.53 ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.962 -14.351 -17.247 1.00 11.16 ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -25.066 -17.029 -17.971 1.00 10.83 ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.494 -14.737 -18.464 1.00 11.25 ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.522 -16.057 -18.845 1.00 10.27 ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.481 -13.052 -13.661 1.00 12.15 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.825 -12.434 -12.477 1.00 13.62 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.595 -11.195 -12.038 1.00 14.48 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.078 -10.417 -12.862 1.00 13.82 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.360 -12.137 -12.764 1.00 14.72 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.550 -13.381 -13.056 1.00 14.92 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.056 -14.153 -12.032 1.00 15.53 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.389 -13.868 -14.335 1.00 15.84 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.368 -15.326 -12.267 1.00 15.76 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.691 -15.039 -14.597 1.00 15.30 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.138 -15.766 -13.557 1.00 17.01 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.500 -16.957 -13.824 1.00 19.20 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.623 -10.950 -10.729 1.00 15.29 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.351 -9.802  -10.125 1.00 15.05 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.336 -8.674  -9.928  1.00 15.96 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.556 -8.726  -8.933  1.00 17.03 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.974 -10.239 -8.803  1.00 15.46 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.773 -9.133  -8.127  1.00 16.22 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.643 -7.979  -8.510  1.00 18.05 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.670 -9.513  -7.265  1.00 16.64 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.275 -7.693  -10.820 1.00 16.04 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.188 -6.684  -10.788 1.00 17.13 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.435 -5.798  -9.556  1.00 19.08 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.449 -5.327  -8.970  1.00 21.11 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.160 -5.865  -12.082 1.00 18.57 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.998 -6.745  -13.333 1.00 18.10 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.102 -4.767  -12.017 1.00 20.00 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.938 -7.786  -13.205 1.00 22.72 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.686 -5.603  -9.171  1.00 19.26 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.073 -4.762  -7.987  1.00 19.73 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.524 -5.376  -6.691  1.00 22.75 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.151 -4.587  -5.769  1.00 26.63 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.598 -4.631  -7.907  1.00 18.87 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.054 -4.169  -9.173  1.00 18.99 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.012 -3.663  -6.810  1.00 21.06 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.422 -6.702  -6.626  1.00 21.84 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.913 -7.479  -5.460  1.00 22.62 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.505 -8.035  -5.738  1.00 23.39 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.303 -9.248  -5.572  1.00 23.94 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.956 -8.497  -5.061  1.00 22.15 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.550 -9.300  -3.845  1.00 28.24 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.042 -8.671  -2.876  1.00 27.26 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.685 -10.539 -3.897  1.00 26.35 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.555 -7.169  -6.095  1.00 24.91 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.108 -7.507  -6.239  1.00 28.25 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.923 -8.667  -7.231  1.00 27.77 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -15.960 -9.426  -7.108  1.00 28.20 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.473 -7.906  -4.894  1.00 34.68 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.760 -7.023  -3.718  1.00 42.11 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.166 -5.782  -3.556  1.00 48.82 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.510 -7.232  -2.610  1.00 47.72 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.572 -5.243  -2.417  1.00 51.54 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.402 -6.114  -1.815  1.00 50.68 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.815 -8.837  -8.205  1.00 22.17 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.580 -9.847  -9.259  1.00 19.10 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.982 -11.245 -8.823  1.00 17.72 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.453 -12.185 -9.403  1.00 18.06 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.822 -11.384 -7.814  1.00 17.26 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.180 -12.709 -7.249  1.00 15.22 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.873 -13.574 -8.308  1.00 15.48 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.649 -13.048 -9.128  1.00 15.81 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.007 -12.616 -6.009  1.00 17.26 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.203 -11.867 -6.170  1.00 18.54 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.654 -14.867 -8.287  1.00 15.18 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.316 -15.751 -9.288  1.00 13.71 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.816 -15.808 -9.047  1.00 13.67 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.304 -16.003 -7.882  1.00 14.58 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.731 -17.157 -9.168  1.00 14.24 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.274 -18.211 -10.122 1.00 14.60 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.902 -17.910 -11.554 1.00 14.54 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.701 -19.589 -9.689  1.00 15.27 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.565 -15.696 -10.156 1.00 12.28 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.016 -15.908 -10.177 1.00 13.12 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.366 -17.321 -10.646 1.00 11.77 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.195 -18.017 -10.031 1.00 12.41 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.708 -14.823 -11.021 1.00 12.49 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.540 -13.439 -10.421 1.00 12.85 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.194 -15.145 -11.211 1.00 13.04 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -25.011 -12.338 -11.348 1.00 13.84 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.803 -17.758 -11.758 1.00 11.67 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.208 -19.049 -12.342 1.00 10.52 ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.175 -19.426 -13.403 1.00 10.79 ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.684 -18.549 -14.161 1.00 11.32 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.579 -18.953 -13.053 1.00 11.76 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.127 -20.302 -13.410 1.00 11.59 ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.751 -21.113 -12.471 1.00 11.48 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.992 -20.834 -14.683 1.00 11.64 ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.201 -22.385 -12.791 1.00 12.69 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.460 -22.088 -15.023 1.00 12.20 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -27.028 -22.890 -14.064 1.00 12.63 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.464 -24.146 -14.332 1.00 15.49 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.907 -20.730 -13.510 1.00 11.32 ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.063 -21.326 -14.578 1.00 11.88 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.836 -22.435 -15.282 1.00 11.66 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.240 -23.438 -14.645 1.00 12.66 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.751 -21.883 -14.007 1.00 12.95 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.965 -20.777 -13.596 1.00 13.73 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.970 -22.684 -15.031 1.00 14.29 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.056 -22.272 -16.597 1.00 12.42 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.460 -23.375 -17.498 1.00 11.66 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.165 -24.078 -17.927 1.00 13.30 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.285 -23.430 -18.473 1.00 12.54 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.126 -22.862 -18.777 1.00 12.81 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.495 -22.252 -18.597 1.00 10.86 ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.637 -20.894 -18.336 1.00 11.39 ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.625 -23.011 -18.786 1.00 11.06 ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.897 -20.335 -18.216 1.00 12.18 ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.892 -22.449 -18.675 1.00 11.74 ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -28.011 -21.108 -18.405 1.00 11.08 ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -22.065 -25.371 -17.631 1.00 14.88 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.923 -26.137 -18.155 1.00 16.25 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.387 -27.304 -19.026 1.00 15.93 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.586 -27.597 -19.124 1.00 17.62 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.084 -26.553 -16.978 1.00 17.39 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.753 -27.529 -16.229 1.00 21.75 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.422 -27.928 -19.710 1.00 18.97 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.713 -28.988 -20.714 1.00 20.36 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.686 -28.448 -21.773 1.00 19.85 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.627 -29.201 -22.177 1.00 20.54 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.369 -30.219 -20.094 1.00 26.57 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.779 -30.708 -18.787 1.00 32.19 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.527 -31.955 -18.331 1.00 42.07 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.418 -31.850 -17.456 1.00 43.22 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -21.263 -33.028 -18.909 1.00 47.79 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.528 -27.175 -22.151 1.00 16.40 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.440 -26.549 -23.140 1.00 16.17 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.203 -27.190 -24.509 1.00 18.40 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -21.018 -27.391 -24.901 1.00 19.48 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.276 -25.040 -23.272 1.00 15.31 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.667 -24.145 -21.733 1.00 15.42 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.281 -27.422 -25.233 1.00 16.71 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.174 -27.941 -26.612 1.00 18.24 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.605 -26.791 -27.523 1.00 15.55 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.797 -26.651 -27.916 1.00 18.66 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.941 -29.276 -26.750 1.00 20.57 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.777 -29.789 -28.179 1.00 21.52 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.418 -30.315 -25.776 1.00 22.59 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.684 -25.871 -27.821 1.00 13.87 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.981 -24.632 -28.571 1.00 14.45 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.521 -24.989 -29.957 1.00 18.04 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.551 -24.443 -30.372 1.00 16.83 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.788 -23.692 -28.574 1.00 14.84 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.357 -23.177 -27.224 1.00 14.27 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.297 -22.705 -26.304 1.00 13.74 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -20.031 -23.233 -26.844 1.00 16.01 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.869 -22.216 -25.076 1.00 13.81 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.612 -22.740 -25.620 1.00 15.95 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.541 -22.248 -24.730 1.00 14.26 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.859 -25.914 -30.651 1.00 15.03 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.355 -26.462 -31.936 1.00 16.24 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.428 -25.401 -33.040 1.00 15.13 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.226 -25.578 -34.014 1.00 17.24 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.642 -27.199 -31.735 1.00 16.21 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.626 -24.355 -32.979 1.00 16.26 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.556 -23.271 -33.962 1.00 17.15 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.976 -21.995 -33.404 1.00 15.59 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.560 -21.948 -32.229 1.00 15.82 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.878 -20.970 -34.251 1.00 15.16 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.416 -19.676 -33.797 1.00 13.88 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.392 -19.128 -32.737 1.00 14.16 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.575 -19.414 -32.783 1.00 14.41 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.390 -18.788 -35.033 1.00 14.70 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.538 -19.777 -36.200 1.00 14.71 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.262 -20.970 -35.672 1.00 15.15 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.821 -18.378 -31.817 1.00 13.72 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.606 -17.757 -30.702 1.00 13.10 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.724 -16.261 -30.954 1.00 14.66 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.788 -15.617 -31.455 1.00 14.82 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.911 -17.975 -29.365 1.00 13.56 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.914 -19.403 -28.826 1.00 13.72 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.096 -19.477 -27.571 1.00 14.65 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.330 -19.929 -28.637 1.00 14.57 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.839 -15.687 -30.504 1.00 12.82 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -24.076 -14.235 -30.510 1.00 12.69 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.482 -13.756 -29.119 1.00 11.25 ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.232 -14.444 -28.425 1.00 11.71 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.141 -13.878 -31.549 1.00 13.86 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.631 -14.253 -32.953 1.00 16.61 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.541 -13.876 -34.063 1.00 20.29 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.570 -12.441 -34.156 1.00 18.77 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.260 -11.809 -35.072 1.00 19.42 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.879 -12.519 -35.994 1.00 18.41 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.305 -10.488 -35.072 1.00 18.43 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -24.002 -12.582 -28.664 1.00 11.13 ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.553 -11.956 -27.458 1.00 11.75 ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.071 -11.833 -27.614 1.00 11.54 ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.582 -11.495 -28.667 1.00 11.26 ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.861 -10.590 -27.388 1.00 11.90 ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.581 -10.808 -28.194 1.00 12.78 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -23.024 -11.701 -29.325 1.00 13.53 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.808 -12.097 -26.523 1.00 10.41 ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.291 -12.126 -26.505 1.00 11.27 ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.823 -11.191 -25.399 1.00 9.95  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.299 -11.167 -24.267 1.00 10.25 ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.764 -13.545 -26.223 1.00 10.98 ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.270 -13.640 -26.031 1.00 11.08 ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.127 -13.598 -27.133 1.00 12.18 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.831 -13.650 -24.752 1.00 11.59 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.508 -13.677 -26.939 1.00 12.58 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.204 -13.716 -24.571 1.00 11.49 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -33.035 -13.702 -25.662 1.00 11.94 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.877 -10.429 -25.735 1.00 10.51 ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.468 -9.407  -24.839 1.00 10.42 ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.995 -9.482  -24.919 1.00 10.91 ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.525 -9.545  -26.066 1.00 11.15 ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -30.027 -7.991  -25.245 1.00 10.58 ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.524 -7.835  -25.343 1.00 10.69 ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.867 -8.165  -26.519 1.00 11.18 ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.751 -7.426  -24.255 1.00 12.34 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.482 -8.085  -26.634 1.00 11.32 ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.383 -7.261  -24.393 1.00 12.66 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.752 -7.629  -25.564 1.00 12.07 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.681 -9.315  -23.808 1.00 11.35 ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.143 -9.084  -23.781 1.00 10.85 ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.360 -7.942  -22.790 1.00 11.03 ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -34.038 -8.106  -21.618 1.00 11.87 ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.917 -10.339 -23.386 1.00 10.97 ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.420 -10.153 -23.443 1.00 12.51 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.912 -9.078  -23.739 1.00 13.36 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.129 -11.234 -23.211 1.00 14.22 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.897 -6.810  -23.276 1.00 10.85 ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.143 -5.636  -22.387 1.00 10.87 ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.393 -5.880  -21.522 1.00 11.72 ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.650 -5.067  -20.602 1.00 12.42 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.227 -4.300  -23.155 1.00 12.62 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.929 -3.961  -23.822 1.00 14.01 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.386 -4.283  -24.142 1.00 13.43 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.211 -6.854  -21.923 1.00 12.48 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.475 -7.139  -21.218 1.00 14.20 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.589 -6.196  -21.633 1.00 13.31 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.353 -5.133  -22.208 1.00 12.28 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.817 -6.625  -21.364 1.00 14.35 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -42.013 -5.782  -21.594 1.00 13.26 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -42.046 -4.692  -20.536 1.00 12.74 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.336 -4.720  -19.529 1.00 12.37 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.296 -6.623  -21.627 1.00 13.80 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.407 -7.531  -22.820 1.00 14.95 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.834 -7.042  -24.046 1.00 16.45 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.117 -8.877  -22.712 1.00 16.22 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.907 -7.889  -25.157 1.00 16.94 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.213 -9.706  -23.821 1.00 17.37 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.660 -9.222  -25.004 1.00 16.53 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.916 -3.726  -20.774 1.00 13.01 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.130 -2.634  -19.791 1.00 12.07 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.643 -2.453  -19.604 1.00 12.85 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.143 -1.294  -19.661 1.00 14.88 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.447 -1.359  -20.237 1.00 13.56 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.507 -0.242  -19.234 1.00 13.87 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.531 -0.484  -18.039 1.00 13.80 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.469 0.993   -19.734 1.00 15.53 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.321 -3.500  -19.216 1.00 14.14 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.760 -3.419  -18.843 1.00 13.99 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.930 -2.558  -17.590 1.00 15.02 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -48.029 -1.931  -17.406 1.00 16.51 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.330 -4.823  -18.613 1.00 14.01 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.424 -5.686  -19.845 1.00 16.68 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.377 -5.439  -20.822 1.00 21.20 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.574 -6.769  -19.997 1.00 19.67 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.452 -6.210  -21.974 1.00 22.73 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.635 -7.547  -21.152 1.00 20.93 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.569 -7.265  -22.126 1.00 23.06 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.641 -8.080  -23.229 1.00 29.63 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.987 -2.601  -16.650 1.00 14.02 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -46.092 -1.988  -15.300 1.00 14.55 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.773 -0.493  -15.339 1.00 15.21 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.084 0.202   -14.338 1.00 16.28 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.140 -2.640  -14.315 1.00 15.18 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.781 -2.417  -14.764 1.00 15.60 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.098 0.000   -16.373 1.00 14.11 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.543 1.362   -16.366 1.00 14.97 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.318 1.480   -15.495 1.00 15.24 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.822 2.588   -15.342 1.00 18.73 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.815 0.366   -14.941 1.00 13.57 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.615 0.394   -14.106 1.00 14.18 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.400 -0.239  -14.801 1.00 15.03 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.347 -0.325  -14.104 1.00 16.87 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.527 -0.655  -16.052 1.00 13.01 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.414 -1.347  -16.736 1.00 12.53 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.954 -0.634  -18.024 1.00 13.36 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.438 -1.310  -18.934 1.00 14.09 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.783 -2.794  -17.020 1.00 12.86 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.562 -3.638  -17.342 1.00 13.00 ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.533 -3.476  -16.689 1.00 12.98 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.721 -4.570  -18.273 1.00 12.51 ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -39.039 0.687   -18.088 1.00 14.04 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.666 1.433   -19.305 1.00 15.12 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.148 1.555   -19.454 1.00 14.18 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.718 1.844   -20.589 1.00 16.27 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.306 2.824   -19.300 1.00 15.76 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.390 1.374   -18.374 1.00 14.61 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.942 1.684   -18.428 1.00 14.37 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.228 0.795   -19.445 1.00 14.37 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.645 -0.328  -19.731 1.00 13.93 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.297 1.526   -17.104 1.00 13.78 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.143 1.301   -20.072 1.00 13.79 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.416 0.542   -21.087 1.00 12.73 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.504 -0.556  -20.488 1.00 12.39 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.159 -0.499  -19.321 1.00 13.85 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.537 1.619   -21.732 1.00 14.47 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.280 2.620   -20.655 1.00 15.50 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.585 2.650   -19.857 1.00 16.25 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.111 -1.502  -21.337 1.00 12.25 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.867 -2.278  -21.169 1.00 12.13 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.734 -1.462  -21.806 1.00 13.10 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.921 -0.967  -22.950 1.00 14.68 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -30.038 -3.636  -21.832 1.00 12.77 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -31.046 -4.597  -21.183 1.00 13.64 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.180 -5.875  -21.989 1.00 14.34 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.644 -4.943  -19.764 1.00 15.69 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.583 -1.389  -21.139 1.00 13.19 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.424 -0.641  -21.702 1.00 13.71 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.194 -1.509  -21.650 1.00 14.26 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.864 -2.012  -20.547 1.00 14.25 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.139 0.636   -20.911 1.00 15.79 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.303 1.570   -20.686 1.00 19.70 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.871 2.876   -20.026 1.00 23.10 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -28.019 3.746   -19.587 1.00 27.77 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.525 4.896   -18.785 1.00 32.04 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.464 -1.580  -22.732 1.00 14.87 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.125 -2.226  -22.732 1.00 15.53 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.136 -1.279  -22.052 1.00 16.09 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.994 -0.123  -22.521 1.00 20.01 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.744 -2.596  -24.163 1.00 16.22 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.493 -3.847  -24.633 1.00 17.29 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.730 -3.939  -26.120 1.00 22.62 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.828 -5.109  -24.074 1.00 16.13 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.511 -1.735  -20.971 1.00 16.39 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.580 -0.889  -20.159 1.00 19.02 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.222 -0.791  -20.815 1.00 21.23 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.714 -1.741  -21.395 1.00 20.39 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.286 -1.528  -18.823 1.00 20.08 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.756 -2.036  -17.936 1.00 23.08 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.547 0.362   -20.659 1.00 25.82 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.206 0.520   -21.176 1.00 29.72 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.229 -0.405  -20.450 1.00 29.97 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.445 -0.695  -19.267 1.00 29.74 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.925 2.017   -20.930 1.00 30.36 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.830 2.413   -19.805 1.00 30.88 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -19.068 1.574   -20.011 1.00 28.34 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.257 -0.873  -21.237 1.00 33.79 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.991 -1.562  -20.885 1.00 39.55 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.157 -0.706  -19.928 1.00 43.00 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.379 -1.312  -19.172 1.00 46.56 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.216 -1.792  -22.189 1.00 40.64 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.706 -3.524  -22.948 1.00 27.98 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.326 -3.272  -23.133 1.00 21.95 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.452 -4.210  -24.039 1.00 36.34 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.373 -3.528  -25.276 1.00 42.52 ? 201 EDO B O2  1 
HETATM 1571 O OAB . SFY C 3 .   ? -41.669 -12.003 -21.412 0.47 25.45 ? 202 SFY B OAB 1 
HETATM 1572 S SAQ . SFY C 3 .   ? -40.528 -12.461 -22.145 0.47 24.25 ? 202 SFY B SAQ 1 
HETATM 1573 O OAC . SFY C 3 .   ? -40.090 -11.735 -23.295 0.47 24.20 ? 202 SFY B OAC 1 
HETATM 1574 C CAP . SFY C 3 .   ? -40.828 -14.131 -22.609 0.47 25.26 ? 202 SFY B CAP 1 
HETATM 1575 C CAJ . SFY C 3 .   ? -42.061 -14.721 -22.343 0.47 24.92 ? 202 SFY B CAJ 1 
HETATM 1576 C CAH . SFY C 3 .   ? -42.284 -16.036 -22.702 0.47 24.48 ? 202 SFY B CAH 1 
HETATM 1577 C CAN . SFY C 3 .   ? -41.289 -16.782 -23.347 0.47 25.13 ? 202 SFY B CAN 1 
HETATM 1578 N NAA . SFY C 3 .   ? -41.512 -18.092 -23.702 0.47 25.36 ? 202 SFY B NAA 1 
HETATM 1579 C CAI . SFY C 3 .   ? -40.051 -16.176 -23.596 0.47 25.34 ? 202 SFY B CAI 1 
HETATM 1580 C CAK . SFY C 3 .   ? -39.823 -14.865 -23.228 0.47 24.61 ? 202 SFY B CAK 1 
HETATM 1581 N NAM . SFY C 3 .   ? -39.296 -12.468 -21.081 0.47 25.22 ? 202 SFY B NAM 1 
HETATM 1582 C CAO . SFY C 3 .   ? -39.233 -13.308 -20.028 0.47 24.35 ? 202 SFY B CAO 1 
HETATM 1583 C CAG . SFY C 3 .   ? -38.029 -13.515 -19.391 0.47 23.28 ? 202 SFY B CAG 1 
HETATM 1584 C CAE . SFY C 3 .   ? -37.989 -14.379 -18.325 0.47 23.35 ? 202 SFY B CAE 1 
HETATM 1585 C CAD . SFY C 3 .   ? -39.144 -14.997 -17.900 0.47 24.72 ? 202 SFY B CAD 1 
HETATM 1586 C CAF . SFY C 3 .   ? -40.309 -14.709 -18.569 0.47 24.80 ? 202 SFY B CAF 1 
HETATM 1587 N NAL . SFY C 3 .   ? -40.373 -13.876 -19.621 0.47 24.75 ? 202 SFY B NAL 1 
HETATM 1588 C C1  . EDO D 2 .   ? -50.729 -16.587 -33.141 1.00 45.48 ? 203 EDO B C1  1 
HETATM 1589 O O1  . EDO D 2 .   ? -49.321 -16.477 -33.067 1.00 37.26 ? 203 EDO B O1  1 
HETATM 1590 C C2  . EDO D 2 .   ? -51.327 -17.189 -31.926 1.00 42.68 ? 203 EDO B C2  1 
HETATM 1591 O O2  . EDO D 2 .   ? -51.246 -16.358 -30.794 1.00 50.00 ? 203 EDO B O2  1 
HETATM 1592 S S   . SO4 E 4 .   ? -40.474 -24.682 -26.267 1.00 41.39 ? 204 SO4 B S   1 
HETATM 1593 O O1  . SO4 E 4 .   ? -39.778 -23.713 -27.058 1.00 25.52 ? 204 SO4 B O1  1 
HETATM 1594 O O2  . SO4 E 4 .   ? -41.336 -25.460 -27.106 1.00 44.88 ? 204 SO4 B O2  1 
HETATM 1595 O O3  . SO4 E 4 .   ? -39.500 -25.552 -25.641 1.00 45.85 ? 204 SO4 B O3  1 
HETATM 1596 O O4  . SO4 E 4 .   ? -41.260 -24.051 -25.227 1.00 41.87 ? 204 SO4 B O4  1 
HETATM 1597 O O   . HOH F 5 .   ? -38.721 -15.454 -11.694 1.00 33.54 ? 301 HOH B O   1 
HETATM 1598 O O   . HOH F 5 .   ? -33.839 4.952   -16.875 1.00 43.36 ? 302 HOH B O   1 
HETATM 1599 O O   . HOH F 5 .   ? -45.818 3.659   -34.083 1.00 24.72 ? 303 HOH B O   1 
HETATM 1600 O O   . HOH F 5 .   ? -26.976 -28.502 -27.805 1.00 28.34 ? 304 HOH B O   1 
HETATM 1601 O O   . HOH F 5 .   ? -22.853 -1.858  -9.724  1.00 29.45 ? 305 HOH B O   1 
HETATM 1602 O O   . HOH F 5 .   ? -29.582 -12.492 -37.645 1.00 25.09 ? 306 HOH B O   1 
HETATM 1603 O O   . HOH F 5 .   ? -33.035 1.039   -33.487 1.00 20.46 ? 307 HOH B O   1 
HETATM 1604 O O   . HOH F 5 .   ? -36.248 5.395   -15.653 1.00 27.70 ? 308 HOH B O   1 
HETATM 1605 O O   . HOH F 5 .   ? -9.500  -18.778 -30.039 1.00 47.74 ? 309 HOH B O   1 
HETATM 1606 O O   . HOH F 5 .   ? -13.524 -23.553 -31.548 1.00 16.83 ? 310 HOH B O   1 
HETATM 1607 O O   . HOH F 5 .   ? -45.099 7.505   -24.577 1.00 36.94 ? 311 HOH B O   1 
HETATM 1608 O O   . HOH F 5 .   ? -15.561 -5.299  -13.837 1.00 33.32 ? 312 HOH B O   1 
HETATM 1609 O O   . HOH F 5 .   ? -40.160 -1.226  -9.699  1.00 30.62 ? 313 HOH B O   1 
HETATM 1610 O O   . HOH F 5 .   ? -35.825 -19.194 -30.486 1.00 34.64 ? 314 HOH B O   1 
HETATM 1611 O O   . HOH F 5 .   ? -38.105 2.731   -22.575 1.00 22.42 ? 315 HOH B O   1 
HETATM 1612 O O   . HOH F 5 .   ? -47.205 -16.916 -31.651 1.00 21.77 ? 316 HOH B O   1 
HETATM 1613 O O   . HOH F 5 .   ? -18.737 -22.042 -35.759 1.00 17.76 ? 317 HOH B O   1 
HETATM 1614 O O   . HOH F 5 .   ? -8.981  -13.437 -25.214 1.00 41.67 ? 318 HOH B O   1 
HETATM 1615 O O   . HOH F 5 .   ? -38.453 0.475   -11.791 1.00 35.64 ? 319 HOH B O   1 
HETATM 1616 O O   . HOH F 5 .   ? -36.681 -23.083 -30.767 1.00 33.20 ? 320 HOH B O   1 
HETATM 1617 O O   . HOH F 5 .   ? -24.609 -30.901 -21.996 1.00 39.76 ? 321 HOH B O   1 
HETATM 1618 O O   . HOH F 5 .   ? -47.194 1.386   -25.500 1.00 35.44 ? 322 HOH B O   1 
HETATM 1619 O O   . HOH F 5 .   ? -35.952 -22.584 -19.641 1.00 24.14 ? 323 HOH B O   1 
HETATM 1620 O O   . HOH F 5 .   ? -45.528 0.087   -11.756 1.00 27.59 ? 324 HOH B O   1 
HETATM 1621 O O   . HOH F 5 .   ? -26.386 3.419   -35.248 1.00 36.98 ? 325 HOH B O   1 
HETATM 1622 O O   . HOH F 5 .   ? -36.906 -16.333 -39.427 1.00 29.22 ? 326 HOH B O   1 
HETATM 1623 O O   . HOH F 5 .   ? -38.407 3.753   -41.957 1.00 34.76 ? 327 HOH B O   1 
HETATM 1624 O O   . HOH F 5 .   ? -49.834 -1.667  -19.343 1.00 31.25 ? 328 HOH B O   1 
HETATM 1625 O O   . HOH F 5 .   ? -30.861 -6.743  -11.229 1.00 16.13 ? 329 HOH B O   1 
HETATM 1626 O O   . HOH F 5 .   ? -16.242 -19.571 -15.633 1.00 27.03 ? 330 HOH B O   1 
HETATM 1627 O O   . HOH F 5 .   ? -25.973 -22.709 -35.723 1.00 28.45 ? 331 HOH B O   1 
HETATM 1628 O O   . HOH F 5 .   ? -12.796 -21.274 -18.706 1.00 31.54 ? 332 HOH B O   1 
HETATM 1629 O O   . HOH F 5 .   ? -37.431 -25.442 -11.357 1.00 37.72 ? 333 HOH B O   1 
HETATM 1630 O O   . HOH F 5 .   ? -17.655 -21.383 -12.391 1.00 19.04 ? 334 HOH B O   1 
HETATM 1631 O O   . HOH F 5 .   ? -45.270 -12.340 -26.610 1.00 36.99 ? 335 HOH B O   1 
HETATM 1632 O O   . HOH F 5 .   ? -36.808 -26.070 -23.796 1.00 36.94 ? 336 HOH B O   1 
HETATM 1633 O O   . HOH F 5 .   ? -17.574 -27.650 -19.626 1.00 20.32 ? 337 HOH B O   1 
HETATM 1634 O O   . HOH F 5 .   ? -30.742 1.065   -16.945 1.00 30.34 ? 338 HOH B O   1 
HETATM 1635 O O   . HOH F 5 .   ? -27.851 -27.409 -25.856 1.00 29.61 ? 339 HOH B O   1 
HETATM 1636 O O   . HOH F 5 .   ? -13.674 -20.980 -35.241 1.00 30.56 ? 340 HOH B O   1 
HETATM 1637 O O   . HOH F 5 .   ? -10.871 -21.144 -24.974 1.00 33.22 ? 341 HOH B O   1 
HETATM 1638 O O   . HOH F 5 .   ? -30.914 -20.362 -21.274 1.00 13.48 ? 342 HOH B O   1 
HETATM 1639 O O   . HOH F 5 .   ? -38.842 -2.545  -21.301 1.00 17.23 ? 343 HOH B O   1 
HETATM 1640 O O   . HOH F 5 .   ? -26.567 1.938   -11.041 1.00 30.23 ? 344 HOH B O   1 
HETATM 1641 O O   . HOH F 5 .   ? -19.961 1.882   -30.590 1.00 32.03 ? 345 HOH B O   1 
HETATM 1642 O O   . HOH F 5 .   ? -32.373 4.676   -32.964 1.00 25.09 ? 346 HOH B O   1 
HETATM 1643 O O   . HOH F 5 .   ? -10.420 -23.476 -21.783 1.00 32.91 ? 347 HOH B O   1 
HETATM 1644 O O   . HOH F 5 .   ? -19.448 -4.291  -21.976 1.00 17.04 ? 348 HOH B O   1 
HETATM 1645 O O   . HOH F 5 .   ? -38.603 -7.702  -10.688 1.00 17.56 ? 349 HOH B O   1 
HETATM 1646 O O   . HOH F 5 .   ? -18.515 -4.618  -24.655 1.00 18.70 ? 350 HOH B O   1 
HETATM 1647 O O   . HOH F 5 .   ? -23.952 1.113   -10.707 1.00 33.86 ? 351 HOH B O   1 
HETATM 1648 O O   . HOH F 5 .   ? -9.554  -20.782 -28.817 1.00 46.24 ? 352 HOH B O   1 
HETATM 1649 O O   . HOH F 5 .   ? -23.287 2.252   -22.874 1.00 32.61 ? 353 HOH B O   1 
HETATM 1650 O O   . HOH F 5 .   ? -19.418 -29.826 -15.605 1.00 29.65 ? 354 HOH B O   1 
HETATM 1651 O O   . HOH F 5 .   ? -16.765 -5.607  -9.386  1.00 35.08 ? 355 HOH B O   1 
HETATM 1652 O O   . HOH F 5 .   ? -32.769 -18.187 -37.211 1.00 35.31 ? 356 HOH B O   1 
HETATM 1653 O O   . HOH F 5 .   ? -15.078 -19.773 -37.431 1.00 29.39 ? 357 HOH B O   1 
HETATM 1654 O O   . HOH F 5 .   ? -34.163 -22.033 -31.352 1.00 19.74 ? 358 HOH B O   1 
HETATM 1655 O O   . HOH F 5 .   ? -41.133 -9.419  -36.633 1.00 31.60 ? 359 HOH B O   1 
HETATM 1656 O O   . HOH F 5 .   ? -17.979 -19.881 -37.451 1.00 31.72 ? 360 HOH B O   1 
HETATM 1657 O O   . HOH F 5 .   ? -42.361 -3.948  -39.353 1.00 25.31 ? 361 HOH B O   1 
HETATM 1658 O O   . HOH F 5 .   ? -23.390 4.352   -24.597 1.00 28.96 ? 362 HOH B O   1 
HETATM 1659 O O   . HOH F 5 .   ? -36.310 -1.883  -33.749 1.00 21.29 ? 363 HOH B O   1 
HETATM 1660 O O   . HOH F 5 .   ? -17.958 -4.484  -5.764  1.00 39.68 ? 364 HOH B O   1 
HETATM 1661 O O   . HOH F 5 .   ? -21.003 -6.023  -2.041  1.00 47.50 ? 365 HOH B O   1 
HETATM 1662 O O   . HOH F 5 .   ? -26.610 -25.805 -16.392 1.00 18.75 ? 366 HOH B O   1 
HETATM 1663 O O   . HOH F 5 .   ? -20.943 -16.341 -5.480  1.00 18.65 ? 367 HOH B O   1 
HETATM 1664 O O   . HOH F 5 .   ? -40.907 -14.595 -8.417  1.00 32.06 ? 368 HOH B O   1 
HETATM 1665 O O   . HOH F 5 .   ? -40.362 -14.436 -31.357 1.00 14.61 ? 369 HOH B O   1 
HETATM 1666 O O   . HOH F 5 .   ? -35.993 -3.686  -10.062 1.00 47.62 ? 370 HOH B O   1 
HETATM 1667 O O   . HOH F 5 .   ? -43.978 -0.782  -24.382 1.00 29.18 ? 371 HOH B O   1 
HETATM 1668 O O   . HOH F 5 .   ? -25.055 -14.344 -3.762  1.00 34.60 ? 372 HOH B O   1 
HETATM 1669 O O   . HOH F 5 .   ? -19.381 -26.160 -31.697 1.00 20.77 ? 373 HOH B O   1 
HETATM 1670 O O   . HOH F 5 .   ? -30.304 -24.029 -33.872 1.00 26.50 ? 374 HOH B O   1 
HETATM 1671 O O   . HOH F 5 .   ? -33.968 -21.812 -36.598 1.00 39.32 ? 375 HOH B O   1 
HETATM 1672 O O   . HOH F 5 .   ? -42.637 -5.862  -12.246 1.00 26.95 ? 376 HOH B O   1 
HETATM 1673 O O   . HOH F 5 .   ? -41.801 1.490   -22.429 1.00 31.54 ? 377 HOH B O   1 
HETATM 1674 O O   . HOH F 5 .   ? -36.594 -0.986  -21.996 1.00 14.54 ? 378 HOH B O   1 
HETATM 1675 O O   . HOH F 5 .   ? -23.952 -12.415 -6.532  1.00 20.63 ? 379 HOH B O   1 
HETATM 1676 O O   . HOH F 5 .   ? -26.752 -17.644 -7.685  1.00 18.07 ? 380 HOH B O   1 
HETATM 1677 O O   . HOH F 5 .   ? -45.783 -19.724 -31.582 1.00 29.30 ? 381 HOH B O   1 
HETATM 1678 O O   . HOH F 5 .   ? -41.269 -8.555  -13.309 1.00 23.75 ? 382 HOH B O   1 
HETATM 1679 O O   . HOH F 5 .   ? -38.668 3.917   -13.653 1.00 39.64 ? 383 HOH B O   1 
HETATM 1680 O O   . HOH F 5 .   ? -32.404 -5.062  -12.824 1.00 15.46 ? 384 HOH B O   1 
HETATM 1681 O O   . HOH F 5 .   ? -45.846 -14.757 -27.482 1.00 34.21 ? 385 HOH B O   1 
HETATM 1682 O O   . HOH F 5 .   ? -20.641 -27.491 -29.791 1.00 18.12 ? 386 HOH B O   1 
HETATM 1683 O O   . HOH F 5 .   ? -18.310 -17.348 -36.222 1.00 26.88 ? 387 HOH B O   1 
HETATM 1684 O O   . HOH F 5 .   ? -35.585 -4.632  -42.047 1.00 24.60 ? 388 HOH B O   1 
HETATM 1685 O O   . HOH F 5 .   ? -41.193 -5.994  -37.994 1.00 31.46 ? 389 HOH B O   1 
HETATM 1686 O O   . HOH F 5 .   ? -31.635 3.378   -26.817 1.00 24.07 ? 390 HOH B O   1 
HETATM 1687 O O   . HOH F 5 .   ? -40.006 6.157   -26.185 1.00 43.78 ? 391 HOH B O   1 
HETATM 1688 O O   . HOH F 5 .   ? -46.022 -4.352  -33.857 1.00 24.29 ? 392 HOH B O   1 
HETATM 1689 O O   . HOH F 5 .   ? -25.397 -10.530 -23.508 1.00 14.20 ? 393 HOH B O   1 
HETATM 1690 O O   . HOH F 5 .   ? -37.105 0.831   -15.514 1.00 17.62 ? 394 HOH B O   1 
HETATM 1691 O O   . HOH F 5 .   ? -14.524 -16.580 -33.070 1.00 31.10 ? 395 HOH B O   1 
HETATM 1692 O O   . HOH F 5 .   ? -33.603 -1.853  -38.237 1.00 27.18 ? 396 HOH B O   1 
HETATM 1693 O O   . HOH F 5 .   ? -33.533 -15.017 -6.905  1.00 23.89 ? 397 HOH B O   1 
HETATM 1694 O O   . HOH F 5 .   ? -25.801 -27.011 -23.842 1.00 18.61 ? 398 HOH B O   1 
HETATM 1695 O O   . HOH F 5 .   ? -24.070 -26.787 -16.069 1.00 22.84 ? 399 HOH B O   1 
HETATM 1696 O O   . HOH F 5 .   ? -12.854 -18.477 -34.867 1.00 37.92 ? 400 HOH B O   1 
HETATM 1697 O O   . HOH F 5 .   ? -9.460  -15.958 -26.523 1.00 29.96 ? 401 HOH B O   1 
HETATM 1698 O O   . HOH F 5 .   ? -39.955 2.669   -15.992 1.00 18.75 ? 402 HOH B O   1 
HETATM 1699 O O   . HOH F 5 .   ? -24.846 -15.064 -6.735  1.00 18.16 ? 403 HOH B O   1 
HETATM 1700 O O   . HOH F 5 .   ? -52.506 -14.297 -29.108 1.00 44.75 ? 404 HOH B O   1 
HETATM 1701 O O   . HOH F 5 .   ? -17.974 -16.042 -6.166  1.00 24.66 ? 405 HOH B O   1 
HETATM 1702 O O   . HOH F 5 .   ? -34.929 -9.241  -6.097  1.00 47.47 ? 406 HOH B O   1 
HETATM 1703 O O   . HOH F 5 .   ? -31.169 4.049   -24.267 1.00 25.54 ? 407 HOH B O   1 
HETATM 1704 O O   . HOH F 5 .   ? -18.967 -29.004 -23.443 1.00 35.94 ? 408 HOH B O   1 
HETATM 1705 O O   . HOH F 5 .   ? -36.452 -0.227  -41.924 1.00 38.71 ? 409 HOH B O   1 
HETATM 1706 O O   . HOH F 5 .   ? -15.916 -14.609 -8.543  1.00 38.48 ? 410 HOH B O   1 
HETATM 1707 O O   . HOH F 5 .   ? -43.361 3.705   -18.785 1.00 22.80 ? 411 HOH B O   1 
HETATM 1708 O O   . HOH F 5 .   ? -13.260 -6.321  -29.115 1.00 36.01 ? 412 HOH B O   1 
HETATM 1709 O O   . HOH F 5 .   ? -28.931 7.808   -30.021 1.00 34.59 ? 413 HOH B O   1 
HETATM 1710 O O   . HOH F 5 .   ? -24.645 -11.107 -4.117  1.00 26.53 ? 414 HOH B O   1 
HETATM 1711 O O   . HOH F 5 .   ? -46.488 -10.806 -22.568 1.00 39.78 ? 415 HOH B O   1 
HETATM 1712 O O   . HOH F 5 .   ? -30.860 -17.450 -42.665 1.00 38.95 ? 416 HOH B O   1 
HETATM 1713 O O   . HOH F 5 .   ? -42.520 -5.009  -43.643 1.00 26.31 ? 417 HOH B O   1 
HETATM 1714 O O   . HOH F 5 .   ? -17.922 -11.120 -35.514 1.00 28.42 ? 418 HOH B O   1 
HETATM 1715 O O   . HOH F 5 .   ? -41.281 5.363   -28.405 1.00 34.45 ? 419 HOH B O   1 
HETATM 1716 O O   . HOH F 5 .   ? -40.466 -7.515  -34.632 1.00 23.63 ? 420 HOH B O   1 
HETATM 1717 O O   . HOH F 5 .   ? -41.124 -8.911  -19.326 1.00 18.03 ? 421 HOH B O   1 
HETATM 1718 O O   . HOH F 5 .   ? -24.409 -4.243  -36.811 1.00 38.52 ? 422 HOH B O   1 
HETATM 1719 O O   . HOH F 5 .   ? -40.877 6.437   -33.046 1.00 37.31 ? 423 HOH B O   1 
HETATM 1720 O O   . HOH F 5 .   ? -25.396 6.952   -28.916 1.00 31.20 ? 424 HOH B O   1 
HETATM 1721 O O   . HOH F 5 .   ? -15.942 -12.184 -5.677  1.00 47.55 ? 425 HOH B O   1 
HETATM 1722 O O   . HOH F 5 .   ? -34.368 -7.194  -7.769  1.00 35.41 ? 426 HOH B O   1 
HETATM 1723 O O   . HOH F 5 .   ? -41.742 -9.772  -43.909 1.00 36.37 ? 427 HOH B O   1 
HETATM 1724 O O   . HOH F 5 .   ? -20.008 2.369   -23.927 1.00 40.75 ? 428 HOH B O   1 
HETATM 1725 O O   . HOH F 5 .   ? -47.801 0.000   -32.733 0.50 23.60 ? 429 HOH B O   1 
HETATM 1726 O O   . HOH F 5 .   ? -32.833 -23.631 -33.470 1.00 34.25 ? 430 HOH B O   1 
HETATM 1727 O O   . HOH F 5 .   ? -16.019 -7.249  -11.160 1.00 36.82 ? 431 HOH B O   1 
HETATM 1728 O O   . HOH F 5 .   ? -36.730 -6.660  -8.799  1.00 32.11 ? 432 HOH B O   1 
HETATM 1729 O O   . HOH F 5 .   ? -21.903 6.904   -32.303 1.00 34.10 ? 433 HOH B O   1 
HETATM 1730 O O   . HOH F 5 .   ? -8.432  -23.189 -30.016 1.00 32.30 ? 434 HOH B O   1 
HETATM 1731 O O   . HOH F 5 .   ? -26.305 -28.189 -21.507 1.00 38.07 ? 435 HOH B O   1 
HETATM 1732 O O   . HOH F 5 .   ? -40.248 4.945   -21.898 1.00 35.92 ? 436 HOH B O   1 
HETATM 1733 O O   . HOH F 5 .   ? -22.924 3.303   -20.563 1.00 39.39 ? 437 HOH B O   1 
HETATM 1734 O O   . HOH F 5 .   ? -38.767 -16.535 -40.825 1.00 36.93 ? 438 HOH B O   1 
HETATM 1735 O O   . HOH F 5 .   ? -36.742 2.129   -43.130 1.00 49.27 ? 439 HOH B O   1 
HETATM 1736 O O   . HOH F 5 .   ? -15.945 -22.292 -14.647 1.00 30.71 ? 440 HOH B O   1 
HETATM 1737 O O   . HOH F 5 .   ? -28.428 -27.818 -16.813 1.00 27.05 ? 441 HOH B O   1 
HETATM 1738 O O   . HOH F 5 .   ? -16.056 -26.845 -17.153 1.00 40.58 ? 442 HOH B O   1 
HETATM 1739 O O   . HOH F 5 .   ? -26.399 -31.219 -23.943 1.00 29.48 ? 443 HOH B O   1 
# 
