data_7HN5
# 
_entry.id   7HN5 
# 
_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   7HN5         pdb_00007hn5 10.2210/pdb7hn5/pdb 
WWPDB D_1001407683 ?            ?                   
# 
_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                        7HN5 
_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 'N-(2-phenylethyl)methanesulfonamide' 199.270   1   ?        ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                        62.068    1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                         96.063    1   ?        ? ? ? 
5 water       nat water                                 18.015    144 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'N-(2-phenylethyl)methanesulfonamide' JFM 
3 1,2-ETHANEDIOL                        EDO 
4 'SULFATE ION'                         SO4 
5 water                                 HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
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 
JFM non-polymer         . 'N-(2-phenylethyl)methanesulfonamide' ?                 'C9 H13 N O2 S'  199.270 
LEU 'L-peptide linking' y LEUCINE                               ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                                ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                            ?                 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                         ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                               ?                 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                                ?                 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'                         ?                 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE                             ?                 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                            ?                 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                              ?                 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                                ?                 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        JFM 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   JFM 
_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 JFM 1   201 201 JFM LIG B . 
C 3 EDO 1   202 305 EDO EDO B . 
D 4 SO4 1   203 1   SO4 SO4 B . 
E 5 HOH 1   301 26  HOH HOH B . 
E 5 HOH 2   302 12  HOH HOH B . 
E 5 HOH 3   303 40  HOH HOH B . 
E 5 HOH 4   304 29  HOH HOH B . 
E 5 HOH 5   305 9   HOH HOH B . 
E 5 HOH 6   306 2   HOH HOH B . 
E 5 HOH 7   307 11  HOH HOH B . 
E 5 HOH 8   308 4   HOH HOH B . 
E 5 HOH 9   309 107 HOH HOH B . 
E 5 HOH 10  310 1   HOH HOH B . 
E 5 HOH 11  311 66  HOH HOH B . 
E 5 HOH 12  312 33  HOH HOH B . 
E 5 HOH 13  313 99  HOH HOH B . 
E 5 HOH 14  314 16  HOH HOH B . 
E 5 HOH 15  315 63  HOH HOH B . 
E 5 HOH 16  316 100 HOH HOH B . 
E 5 HOH 17  317 21  HOH HOH B . 
E 5 HOH 18  318 51  HOH HOH B . 
E 5 HOH 19  319 90  HOH HOH B . 
E 5 HOH 20  320 5   HOH HOH B . 
E 5 HOH 21  321 95  HOH HOH B . 
E 5 HOH 22  322 267 HOH HOH B . 
E 5 HOH 23  323 11  HOH HOH B . 
E 5 HOH 24  324 10  HOH HOH B . 
E 5 HOH 25  325 31  HOH HOH B . 
E 5 HOH 26  326 80  HOH HOH B . 
E 5 HOH 27  327 184 HOH HOH B . 
E 5 HOH 28  328 25  HOH HOH B . 
E 5 HOH 29  329 72  HOH HOH B . 
E 5 HOH 30  330 157 HOH HOH B . 
E 5 HOH 31  331 34  HOH HOH B . 
E 5 HOH 32  332 39  HOH HOH B . 
E 5 HOH 33  333 70  HOH HOH B . 
E 5 HOH 34  334 2   HOH HOH B . 
E 5 HOH 35  335 16  HOH HOH B . 
E 5 HOH 36  336 58  HOH HOH B . 
E 5 HOH 37  337 102 HOH HOH B . 
E 5 HOH 38  338 27  HOH HOH B . 
E 5 HOH 39  339 93  HOH HOH B . 
E 5 HOH 40  340 62  HOH HOH B . 
E 5 HOH 41  341 36  HOH HOH B . 
E 5 HOH 42  342 81  HOH HOH B . 
E 5 HOH 43  343 19  HOH HOH B . 
E 5 HOH 44  344 22  HOH HOH B . 
E 5 HOH 45  345 28  HOH HOH B . 
E 5 HOH 46  346 20  HOH HOH B . 
E 5 HOH 47  347 29  HOH HOH B . 
E 5 HOH 48  348 18  HOH HOH B . 
E 5 HOH 49  349 27  HOH HOH B . 
E 5 HOH 50  350 89  HOH HOH B . 
E 5 HOH 51  351 10  HOH HOH B . 
E 5 HOH 52  352 50  HOH HOH B . 
E 5 HOH 53  353 86  HOH HOH B . 
E 5 HOH 54  354 7   HOH HOH B . 
E 5 HOH 55  355 68  HOH HOH B . 
E 5 HOH 56  356 47  HOH HOH B . 
E 5 HOH 57  357 26  HOH HOH B . 
E 5 HOH 58  358 43  HOH HOH B . 
E 5 HOH 59  359 6   HOH HOH B . 
E 5 HOH 60  360 59  HOH HOH B . 
E 5 HOH 61  361 15  HOH HOH B . 
E 5 HOH 62  362 129 HOH HOH B . 
E 5 HOH 63  363 55  HOH HOH B . 
E 5 HOH 64  364 85  HOH HOH B . 
E 5 HOH 65  365 126 HOH HOH B . 
E 5 HOH 66  366 71  HOH HOH B . 
E 5 HOH 67  367 1   HOH HOH B . 
E 5 HOH 68  368 61  HOH HOH B . 
E 5 HOH 69  369 137 HOH HOH B . 
E 5 HOH 70  370 76  HOH HOH B . 
E 5 HOH 71  371 3   HOH HOH B . 
E 5 HOH 72  372 211 HOH HOH B . 
E 5 HOH 73  373 73  HOH HOH B . 
E 5 HOH 74  374 4   HOH HOH B . 
E 5 HOH 75  375 60  HOH HOH B . 
E 5 HOH 76  376 30  HOH HOH B . 
E 5 HOH 77  377 24  HOH HOH B . 
E 5 HOH 78  378 32  HOH HOH B . 
E 5 HOH 79  379 8   HOH HOH B . 
E 5 HOH 80  380 32  HOH HOH B . 
E 5 HOH 81  381 214 HOH HOH B . 
E 5 HOH 82  382 23  HOH HOH B . 
E 5 HOH 83  383 25  HOH HOH B . 
E 5 HOH 84  384 304 HOH HOH B . 
E 5 HOH 85  385 303 HOH HOH B . 
E 5 HOH 86  386 48  HOH HOH B . 
E 5 HOH 87  387 3   HOH HOH B . 
E 5 HOH 88  388 64  HOH HOH B . 
E 5 HOH 89  389 14  HOH HOH B . 
E 5 HOH 90  390 45  HOH HOH B . 
E 5 HOH 91  391 12  HOH HOH B . 
E 5 HOH 92  392 46  HOH HOH B . 
E 5 HOH 93  393 172 HOH HOH B . 
E 5 HOH 94  394 42  HOH HOH B . 
E 5 HOH 95  395 125 HOH HOH B . 
E 5 HOH 96  396 13  HOH HOH B . 
E 5 HOH 97  397 22  HOH HOH B . 
E 5 HOH 98  398 103 HOH HOH B . 
E 5 HOH 99  399 5   HOH HOH B . 
E 5 HOH 100 400 156 HOH HOH B . 
E 5 HOH 101 401 97  HOH HOH B . 
E 5 HOH 102 402 197 HOH HOH B . 
E 5 HOH 103 403 56  HOH HOH B . 
E 5 HOH 104 404 17  HOH HOH B . 
E 5 HOH 105 405 7   HOH HOH B . 
E 5 HOH 106 406 49  HOH HOH B . 
E 5 HOH 107 407 54  HOH HOH B . 
E 5 HOH 108 408 120 HOH HOH B . 
E 5 HOH 109 409 112 HOH HOH B . 
E 5 HOH 110 410 57  HOH HOH B . 
E 5 HOH 111 411 263 HOH HOH B . 
E 5 HOH 112 412 33  HOH HOH B . 
E 5 HOH 113 413 8   HOH HOH B . 
E 5 HOH 114 414 38  HOH HOH B . 
E 5 HOH 115 415 20  HOH HOH B . 
E 5 HOH 116 416 69  HOH HOH B . 
E 5 HOH 117 417 281 HOH HOH B . 
E 5 HOH 118 418 15  HOH HOH B . 
E 5 HOH 119 419 154 HOH HOH B . 
E 5 HOH 120 420 140 HOH HOH B . 
E 5 HOH 121 421 53  HOH HOH B . 
E 5 HOH 122 422 18  HOH HOH B . 
E 5 HOH 123 423 257 HOH HOH B . 
E 5 HOH 124 424 41  HOH HOH B . 
E 5 HOH 125 425 19  HOH HOH B . 
E 5 HOH 126 426 114 HOH HOH B . 
E 5 HOH 127 427 44  HOH HOH B . 
E 5 HOH 128 428 30  HOH HOH B . 
E 5 HOH 129 429 133 HOH HOH B . 
E 5 HOH 130 430 266 HOH HOH B . 
E 5 HOH 131 431 115 HOH HOH B . 
E 5 HOH 132 432 23  HOH HOH B . 
E 5 HOH 133 433 13  HOH HOH B . 
E 5 HOH 134 434 98  HOH HOH B . 
E 5 HOH 135 435 21  HOH HOH B . 
E 5 HOH 136 436 82  HOH HOH B . 
E 5 HOH 137 437 104 HOH HOH B . 
E 5 HOH 138 438 166 HOH HOH B . 
E 5 HOH 139 439 205 HOH HOH B . 
E 5 HOH 140 440 127 HOH HOH B . 
E 5 HOH 141 441 131 HOH HOH B . 
E 5 HOH 142 442 14  HOH HOH B . 
E 5 HOH 143 443 270 HOH HOH B . 
E 5 HOH 144 444 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HN5 
_cell.length_a           95.324 
_cell.length_b           95.324 
_cell.length_c           45.590 
_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                         7HN5 
_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          7HN5 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.40 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.70 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-04 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HN5 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.380 
_reflns.d_resolution_high            1.320 
_reflns.number_obs                   47626 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         98.800 
_reflns.pdbx_Rmerge_I_obs            0.078 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        15.700 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.500 
_reflns.pdbx_Rrim_I_all              0.082 
_reflns.pdbx_Rpim_I_all              0.023 
_reflns.pdbx_CC_half                 0.998 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     549456 
_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 1.320 1.340  ? 10488 2064 ? 1.561 ? ? ? 5.100  ? 0.800  ? ? ? ? ? ? 87.000 1.748 0.756 0.298 
1 2 7.230 67.380 ? 3868  321  ? 0.052 ? ? ? 12.000 ? 55.700 ? ? ? ? ? ? 99.900 0.055 0.017 0.956 
# 
_refine.entry_id                                 7HN5 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3200 
_refine.ls_d_res_low                             67.4000 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    98.6100 
_refine.ls_number_reflns_obs                     45292 
_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                          0.1766 
_refine.ls_R_factor_R_work                       0.1757 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1941 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2282 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               17.8230 
_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               0.9700 
_refine.correlation_coeff_Fo_to_Fc_free          0.9630 
_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                       0.0540 
_refine.pdbx_overall_ESU_R_Free                  0.0550 
_refine.overall_SU_ML                            0.0420 
_refine.overall_SU_B                             1.0800 
_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                                90.420 
_refine.B_iso_min                                9.400 
_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                       1.3200 
_refine_hist.d_res_low                        67.4000 
_refine_hist.pdbx_number_atoms_ligand         22 
_refine_hist.number_atoms_solvent             144 
_refine_hist.number_atoms_total               1659 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           33.55 
_refine_hist.pdbx_B_iso_mean_solvent          29.13 
_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       2110 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1662 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2622 1.885  1.657  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3836 1.463  1.599  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 247  7.174  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 113  27.174 21.150 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 291  11.913 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   21.199 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         223  0.091  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2343 0.012  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     535  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            990  1.542  1.604  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         984  1.531  1.591  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1177 2.445  2.397  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3200 
_refine_ls_shell.d_res_low                        1.3540 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               86.4700 
_refine_ls_shell.number_reflns_R_work             2937 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3310 
_refine_ls_shell.R_factor_R_free                  0.3580 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             131 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3068 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HN5 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z45617795' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HN5 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HN5 
_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 7HN5 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HN5 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HN5 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HN5 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HN5 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HN5 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HN5 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HN5 MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       0.45 
# 
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                   7HN5 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                126.95 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            15.15 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 70.21   34.25 
2 1 ASP B 152 ? ? -102.60 52.11 
# 
_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     426 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
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 
JFM C10  C Y N 193 
JFM C13  C Y N 194 
JFM C01  C N N 195 
JFM S02  S N N 196 
JFM O03  O N N 197 
JFM O04  O N N 198 
JFM N05  N N N 199 
JFM C06  C N N 200 
JFM C07  C N N 201 
JFM C08  C Y N 202 
JFM C09  C Y N 203 
JFM C11  C Y N 204 
JFM C12  C Y N 205 
JFM H101 H N N 206 
JFM H131 H N N 207 
JFM H011 H N N 208 
JFM H012 H N N 209 
JFM H013 H N N 210 
JFM H051 H N N 211 
JFM H061 H N N 212 
JFM H062 H N N 213 
JFM H071 H N N 214 
JFM H072 H N N 215 
JFM H091 H N N 216 
JFM H111 H N N 217 
JFM H121 H N N 218 
LEU N    N N N 219 
LEU CA   C N S 220 
LEU C    C N N 221 
LEU O    O N N 222 
LEU CB   C N N 223 
LEU CG   C N N 224 
LEU CD1  C N N 225 
LEU CD2  C N N 226 
LEU OXT  O N N 227 
LEU H    H N N 228 
LEU H2   H N N 229 
LEU HA   H N N 230 
LEU HB2  H N N 231 
LEU HB3  H N N 232 
LEU HG   H N N 233 
LEU HD11 H N N 234 
LEU HD12 H N N 235 
LEU HD13 H N N 236 
LEU HD21 H N N 237 
LEU HD22 H N N 238 
LEU HD23 H N N 239 
LEU HXT  H N N 240 
LYS N    N N N 241 
LYS CA   C N S 242 
LYS C    C N N 243 
LYS O    O N N 244 
LYS CB   C N N 245 
LYS CG   C N N 246 
LYS CD   C N N 247 
LYS CE   C N N 248 
LYS NZ   N N N 249 
LYS OXT  O N N 250 
LYS H    H N N 251 
LYS H2   H N N 252 
LYS HA   H N N 253 
LYS HB2  H N N 254 
LYS HB3  H N N 255 
LYS HG2  H N N 256 
LYS HG3  H N N 257 
LYS HD2  H N N 258 
LYS HD3  H N N 259 
LYS HE2  H N N 260 
LYS HE3  H N N 261 
LYS HZ1  H N N 262 
LYS HZ2  H N N 263 
LYS HZ3  H N N 264 
LYS HXT  H N N 265 
MET N    N N N 266 
MET CA   C N S 267 
MET C    C N N 268 
MET O    O N N 269 
MET CB   C N N 270 
MET CG   C N N 271 
MET SD   S N N 272 
MET CE   C N N 273 
MET OXT  O N N 274 
MET H    H N N 275 
MET H2   H N N 276 
MET HA   H N N 277 
MET HB2  H N N 278 
MET HB3  H N N 279 
MET HG2  H N N 280 
MET HG3  H N N 281 
MET HE1  H N N 282 
MET HE2  H N N 283 
MET HE3  H N N 284 
MET HXT  H N N 285 
PHE N    N N N 286 
PHE CA   C N S 287 
PHE C    C N N 288 
PHE O    O N N 289 
PHE CB   C N N 290 
PHE CG   C Y N 291 
PHE CD1  C Y N 292 
PHE CD2  C Y N 293 
PHE CE1  C Y N 294 
PHE CE2  C Y N 295 
PHE CZ   C Y N 296 
PHE OXT  O N N 297 
PHE H    H N N 298 
PHE H2   H N N 299 
PHE HA   H N N 300 
PHE HB2  H N N 301 
PHE HB3  H N N 302 
PHE HD1  H N N 303 
PHE HD2  H N N 304 
PHE HE1  H N N 305 
PHE HE2  H N N 306 
PHE HZ   H N N 307 
PHE HXT  H N N 308 
PRO N    N N N 309 
PRO CA   C N S 310 
PRO C    C N N 311 
PRO O    O N N 312 
PRO CB   C N N 313 
PRO CG   C N N 314 
PRO CD   C N N 315 
PRO OXT  O N N 316 
PRO H    H N N 317 
PRO HA   H N N 318 
PRO HB2  H N N 319 
PRO HB3  H N N 320 
PRO HG2  H N N 321 
PRO HG3  H N N 322 
PRO HD2  H N N 323 
PRO HD3  H N N 324 
PRO HXT  H N N 325 
SER N    N N N 326 
SER CA   C N S 327 
SER C    C N N 328 
SER O    O N N 329 
SER CB   C N N 330 
SER OG   O N N 331 
SER OXT  O N N 332 
SER H    H N N 333 
SER H2   H N N 334 
SER HA   H N N 335 
SER HB2  H N N 336 
SER HB3  H N N 337 
SER HG   H N N 338 
SER HXT  H N N 339 
SO4 S    S N N 340 
SO4 O1   O N N 341 
SO4 O2   O N N 342 
SO4 O3   O N N 343 
SO4 O4   O N N 344 
THR N    N N N 345 
THR CA   C N S 346 
THR C    C N N 347 
THR O    O N N 348 
THR CB   C N R 349 
THR OG1  O N N 350 
THR CG2  C N N 351 
THR OXT  O N N 352 
THR H    H N N 353 
THR H2   H N N 354 
THR HA   H N N 355 
THR HB   H N N 356 
THR HG1  H N N 357 
THR HG21 H N N 358 
THR HG22 H N N 359 
THR HG23 H N N 360 
THR HXT  H N N 361 
TRP N    N N N 362 
TRP CA   C N S 363 
TRP C    C N N 364 
TRP O    O N N 365 
TRP CB   C N N 366 
TRP CG   C Y N 367 
TRP CD1  C Y N 368 
TRP CD2  C Y N 369 
TRP NE1  N Y N 370 
TRP CE2  C Y N 371 
TRP CE3  C Y N 372 
TRP CZ2  C Y N 373 
TRP CZ3  C Y N 374 
TRP CH2  C Y N 375 
TRP OXT  O N N 376 
TRP H    H N N 377 
TRP H2   H N N 378 
TRP HA   H N N 379 
TRP HB2  H N N 380 
TRP HB3  H N N 381 
TRP HD1  H N N 382 
TRP HE1  H N N 383 
TRP HE3  H N N 384 
TRP HZ2  H N N 385 
TRP HZ3  H N N 386 
TRP HH2  H N N 387 
TRP HXT  H N N 388 
TYR N    N N N 389 
TYR CA   C N S 390 
TYR C    C N N 391 
TYR O    O N N 392 
TYR CB   C N N 393 
TYR CG   C Y N 394 
TYR CD1  C Y N 395 
TYR CD2  C Y N 396 
TYR CE1  C Y N 397 
TYR CE2  C Y N 398 
TYR CZ   C Y N 399 
TYR OH   O N N 400 
TYR OXT  O N N 401 
TYR H    H N N 402 
TYR H2   H N N 403 
TYR HA   H N N 404 
TYR HB2  H N N 405 
TYR HB3  H N N 406 
TYR HD1  H N N 407 
TYR HD2  H N N 408 
TYR HE1  H N N 409 
TYR HE2  H N N 410 
TYR HH   H N N 411 
TYR HXT  H N N 412 
VAL N    N N N 413 
VAL CA   C N S 414 
VAL C    C N N 415 
VAL O    O N N 416 
VAL CB   C N N 417 
VAL CG1  C N N 418 
VAL CG2  C N N 419 
VAL OXT  O N N 420 
VAL H    H N N 421 
VAL H2   H N N 422 
VAL HA   H N N 423 
VAL HB   H N N 424 
VAL HG11 H N N 425 
VAL HG12 H N N 426 
VAL HG13 H N N 427 
VAL HG21 H N N 428 
VAL HG22 H N N 429 
VAL HG23 H N N 430 
VAL HXT  H N N 431 
# 
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 
JFM O04 S02  doub N N 182 
JFM N05 S02  sing N N 183 
JFM N05 C06  sing N N 184 
JFM S02 O03  doub N N 185 
JFM S02 C01  sing N N 186 
JFM C07 C06  sing N N 187 
JFM C07 C08  sing N N 188 
JFM C09 C08  doub Y N 189 
JFM C09 C10  sing Y N 190 
JFM C08 C13  sing Y N 191 
JFM C10 C11  doub Y N 192 
JFM C13 C12  doub Y N 193 
JFM C11 C12  sing Y N 194 
JFM C10 H101 sing N N 195 
JFM C13 H131 sing N N 196 
JFM C01 H011 sing N N 197 
JFM C01 H012 sing N N 198 
JFM C01 H013 sing N N 199 
JFM N05 H051 sing N N 200 
JFM C06 H061 sing N N 201 
JFM C06 H062 sing N N 202 
JFM C07 H071 sing N N 203 
JFM C07 H072 sing N N 204 
JFM C09 H091 sing N N 205 
JFM C11 H111 sing N N 206 
JFM C12 H121 sing N N 207 
LEU N   CA   sing N N 208 
LEU N   H    sing N N 209 
LEU N   H2   sing N N 210 
LEU CA  C    sing N N 211 
LEU CA  CB   sing N N 212 
LEU CA  HA   sing N N 213 
LEU C   O    doub N N 214 
LEU C   OXT  sing N N 215 
LEU CB  CG   sing N N 216 
LEU CB  HB2  sing N N 217 
LEU CB  HB3  sing N N 218 
LEU CG  CD1  sing N N 219 
LEU CG  CD2  sing N N 220 
LEU CG  HG   sing N N 221 
LEU CD1 HD11 sing N N 222 
LEU CD1 HD12 sing N N 223 
LEU CD1 HD13 sing N N 224 
LEU CD2 HD21 sing N N 225 
LEU CD2 HD22 sing N N 226 
LEU CD2 HD23 sing N N 227 
LEU OXT HXT  sing N N 228 
LYS N   CA   sing N N 229 
LYS N   H    sing N N 230 
LYS N   H2   sing N N 231 
LYS CA  C    sing N N 232 
LYS CA  CB   sing N N 233 
LYS CA  HA   sing N N 234 
LYS C   O    doub N N 235 
LYS C   OXT  sing N N 236 
LYS CB  CG   sing N N 237 
LYS CB  HB2  sing N N 238 
LYS CB  HB3  sing N N 239 
LYS CG  CD   sing N N 240 
LYS CG  HG2  sing N N 241 
LYS CG  HG3  sing N N 242 
LYS CD  CE   sing N N 243 
LYS CD  HD2  sing N N 244 
LYS CD  HD3  sing N N 245 
LYS CE  NZ   sing N N 246 
LYS CE  HE2  sing N N 247 
LYS CE  HE3  sing N N 248 
LYS NZ  HZ1  sing N N 249 
LYS NZ  HZ2  sing N N 250 
LYS NZ  HZ3  sing N N 251 
LYS OXT HXT  sing N N 252 
MET N   CA   sing N N 253 
MET N   H    sing N N 254 
MET N   H2   sing N N 255 
MET CA  C    sing N N 256 
MET CA  CB   sing N N 257 
MET CA  HA   sing N N 258 
MET C   O    doub N N 259 
MET C   OXT  sing N N 260 
MET CB  CG   sing N N 261 
MET CB  HB2  sing N N 262 
MET CB  HB3  sing N N 263 
MET CG  SD   sing N N 264 
MET CG  HG2  sing N N 265 
MET CG  HG3  sing N N 266 
MET SD  CE   sing N N 267 
MET CE  HE1  sing N N 268 
MET CE  HE2  sing N N 269 
MET CE  HE3  sing N N 270 
MET OXT HXT  sing N N 271 
PHE N   CA   sing N N 272 
PHE N   H    sing N N 273 
PHE N   H2   sing N N 274 
PHE CA  C    sing N N 275 
PHE CA  CB   sing N N 276 
PHE CA  HA   sing N N 277 
PHE C   O    doub N N 278 
PHE C   OXT  sing N N 279 
PHE CB  CG   sing N N 280 
PHE CB  HB2  sing N N 281 
PHE CB  HB3  sing N N 282 
PHE CG  CD1  doub Y N 283 
PHE CG  CD2  sing Y N 284 
PHE CD1 CE1  sing Y N 285 
PHE CD1 HD1  sing N N 286 
PHE CD2 CE2  doub Y N 287 
PHE CD2 HD2  sing N N 288 
PHE CE1 CZ   doub Y N 289 
PHE CE1 HE1  sing N N 290 
PHE CE2 CZ   sing Y N 291 
PHE CE2 HE2  sing N N 292 
PHE CZ  HZ   sing N N 293 
PHE OXT HXT  sing N N 294 
PRO N   CA   sing N N 295 
PRO N   CD   sing N N 296 
PRO N   H    sing N N 297 
PRO CA  C    sing N N 298 
PRO CA  CB   sing N N 299 
PRO CA  HA   sing N N 300 
PRO C   O    doub N N 301 
PRO C   OXT  sing N N 302 
PRO CB  CG   sing N N 303 
PRO CB  HB2  sing N N 304 
PRO CB  HB3  sing N N 305 
PRO CG  CD   sing N N 306 
PRO CG  HG2  sing N N 307 
PRO CG  HG3  sing N N 308 
PRO CD  HD2  sing N N 309 
PRO CD  HD3  sing N N 310 
PRO OXT HXT  sing N N 311 
SER N   CA   sing N N 312 
SER N   H    sing N N 313 
SER N   H2   sing N N 314 
SER CA  C    sing N N 315 
SER CA  CB   sing N N 316 
SER CA  HA   sing N N 317 
SER C   O    doub N N 318 
SER C   OXT  sing N N 319 
SER CB  OG   sing N N 320 
SER CB  HB2  sing N N 321 
SER CB  HB3  sing N N 322 
SER OG  HG   sing N N 323 
SER OXT HXT  sing N N 324 
SO4 S   O1   doub N N 325 
SO4 S   O2   doub N N 326 
SO4 S   O3   sing N N 327 
SO4 S   O4   sing N N 328 
THR N   CA   sing N N 329 
THR N   H    sing N N 330 
THR N   H2   sing N N 331 
THR CA  C    sing N N 332 
THR CA  CB   sing N N 333 
THR CA  HA   sing N N 334 
THR C   O    doub N N 335 
THR C   OXT  sing N N 336 
THR CB  OG1  sing N N 337 
THR CB  CG2  sing N N 338 
THR CB  HB   sing N N 339 
THR OG1 HG1  sing N N 340 
THR CG2 HG21 sing N N 341 
THR CG2 HG22 sing N N 342 
THR CG2 HG23 sing N N 343 
THR OXT HXT  sing N N 344 
TRP N   CA   sing N N 345 
TRP N   H    sing N N 346 
TRP N   H2   sing N N 347 
TRP CA  C    sing N N 348 
TRP CA  CB   sing N N 349 
TRP CA  HA   sing N N 350 
TRP C   O    doub N N 351 
TRP C   OXT  sing N N 352 
TRP CB  CG   sing N N 353 
TRP CB  HB2  sing N N 354 
TRP CB  HB3  sing N N 355 
TRP CG  CD1  doub Y N 356 
TRP CG  CD2  sing Y N 357 
TRP CD1 NE1  sing Y N 358 
TRP CD1 HD1  sing N N 359 
TRP CD2 CE2  doub Y N 360 
TRP CD2 CE3  sing Y N 361 
TRP NE1 CE2  sing Y N 362 
TRP NE1 HE1  sing N N 363 
TRP CE2 CZ2  sing Y N 364 
TRP CE3 CZ3  doub Y N 365 
TRP CE3 HE3  sing N N 366 
TRP CZ2 CH2  doub Y N 367 
TRP CZ2 HZ2  sing N N 368 
TRP CZ3 CH2  sing Y N 369 
TRP CZ3 HZ3  sing N N 370 
TRP CH2 HH2  sing N N 371 
TRP OXT HXT  sing N N 372 
TYR N   CA   sing N N 373 
TYR N   H    sing N N 374 
TYR N   H2   sing N N 375 
TYR CA  C    sing N N 376 
TYR CA  CB   sing N N 377 
TYR CA  HA   sing N N 378 
TYR C   O    doub N N 379 
TYR C   OXT  sing N N 380 
TYR CB  CG   sing N N 381 
TYR CB  HB2  sing N N 382 
TYR CB  HB3  sing N N 383 
TYR CG  CD1  doub Y N 384 
TYR CG  CD2  sing Y N 385 
TYR CD1 CE1  sing Y N 386 
TYR CD1 HD1  sing N N 387 
TYR CD2 CE2  doub Y N 388 
TYR CD2 HD2  sing N N 389 
TYR CE1 CZ   doub Y N 390 
TYR CE1 HE1  sing N N 391 
TYR CE2 CZ   sing Y N 392 
TYR CE2 HE2  sing N N 393 
TYR CZ  OH   sing N N 394 
TYR OH  HH   sing N N 395 
TYR OXT HXT  sing N N 396 
VAL N   CA   sing N N 397 
VAL N   H    sing N N 398 
VAL N   H2   sing N N 399 
VAL CA  C    sing N N 400 
VAL CA  CB   sing N N 401 
VAL CA  HA   sing N N 402 
VAL C   O    doub N N 403 
VAL C   OXT  sing N N 404 
VAL CB  CG1  sing N N 405 
VAL CB  CG2  sing N N 406 
VAL CB  HB   sing N N 407 
VAL CG1 HG11 sing N N 408 
VAL CG1 HG12 sing N N 409 
VAL CG1 HG13 sing N N 410 
VAL CG2 HG21 sing N N 411 
VAL CG2 HG22 sing N N 412 
VAL CG2 HG23 sing N N 413 
VAL OXT HXT  sing N N 414 
# 
_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                    7HN5 
_atom_sites.fract_transf_matrix[1][1]   0.010491 
_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]   0.010491 
_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]   0.021935 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . HIS A 1 2   ? -13.077 -13.161 -9.905  1.00 81.44 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.704 -13.576 -11.296 1.00 76.22 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.650 -12.615 -11.862 1.00 76.53 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.712 -11.399 -11.548 1.00 84.78 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.954 -13.675 -12.194 1.00 68.41 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.503 -12.371 -12.686 1.00 62.51 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -14.023 -11.748 -13.824 1.00 59.42 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.509 -11.588 -12.232 1.00 58.82 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.689 -10.628 -14.030 1.00 59.43 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.615 -10.506 -13.076 1.00 54.64 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.735 -13.144 -12.679 1.00 71.03 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.702  -12.384 -13.439 1.00 71.36 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -9.938  -12.574 -14.951 1.00 60.90 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -8.954  -12.835 -15.678 1.00 59.43 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.302  -12.792 -12.936 1.00 79.31 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.095  -12.537 -11.473 1.00 86.97 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -7.753  -11.286 -10.973 1.00 88.47 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.195  -13.353 -10.398 1.00 89.89 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.648  -11.349 -9.659  1.00 89.93 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -7.914  -12.607 -9.281  1.00 90.42 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.200 -12.423 -15.399 1.00 50.20 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.684 -12.620 -16.800 1.00 40.13 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.704 -11.283 -17.554 1.00 36.69 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.802 -11.311 -18.799 1.00 31.27 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.087 -13.258 -16.816 1.00 36.52 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.148 -14.631 -16.233 1.00 35.74 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.225 -15.623 -16.557 1.00 35.65 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.028 -15.199 -15.384 1.00 33.61 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.533 -16.733 -15.918 1.00 42.45 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.640 -16.499 -15.200 1.00 40.97 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.571 -10.158 -16.832 1.00 36.76 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.645 -8.763  -17.355 1.00 42.50 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.777 -8.586  -18.610 1.00 39.25 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.263 -7.908  -19.548 1.00 40.60 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.265 -7.728  -16.276 1.00 52.82 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.113 -7.784  -15.048 1.00 67.12 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.640 -8.291  -13.842 1.00 80.81 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.395 -7.415  -14.827 1.00 74.22 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.597 -8.228  -12.933 1.00 81.63 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.687 -7.698  -13.514 1.00 79.07 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.587  -9.211  -18.661 1.00 37.58 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.584  -9.069  -19.757 1.00 36.83 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.018  -9.746  -21.069 1.00 33.42 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.381  -9.466  -22.088 1.00 34.68 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.198  -9.558  -19.300 1.00 44.05 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.115  -11.017 -19.019 1.00 45.89 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.537  -11.912 -19.909 1.00 54.21 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.512  -11.743 -17.950 1.00 49.13 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.592  -13.130 -19.405 1.00 47.51 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.188  -13.056 -18.203 1.00 55.36 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.056 -10.595 -21.091 1.00 26.58 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.679 -11.118 -22.349 1.00 22.67 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.796 -10.195 -22.811 1.00 20.94 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.628 -10.663 -23.590 1.00 18.49 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.224 -12.525 -22.127 1.00 22.27 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.144 -13.457 -21.672 1.00 23.69 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.135  -13.818 -22.541 1.00 23.82 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -9.959  -14.126 -20.513 1.00 24.66 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.335  -14.657 -21.917 1.00 23.25 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.789  -14.867 -20.676 1.00 25.38 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.826 -8.970  -22.318 1.00 22.01 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.869 -7.965  -22.662 1.00 24.24 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -12.952 -7.808  -24.181 1.00 25.09 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -11.916 -7.705  -24.906 1.00 27.39 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.536 -6.605  -22.037 1.00 30.40 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.589 -5.508  -22.264 1.00 37.18 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.202 -5.709  -21.390 1.00 47.13 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.799 -5.114  -19.752 1.00 33.39 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.170 -7.780  -24.699 1.00 20.10 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.484 -7.583  -26.137 1.00 22.02 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.500 -6.424  -26.228 1.00 21.65 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.354 -6.243  -25.308 1.00 21.46 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.003 -8.858  -26.836 1.00 22.92 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -13.897 -9.911  -26.922 1.00 27.08 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.242 -9.457  -26.192 1.00 23.76 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.427 -5.654  -27.309 1.00 21.90 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.321 -4.493  -27.536 1.00 21.89 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.543 -4.997  -28.301 1.00 21.42 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.430 -5.413  -29.445 1.00 24.62 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.558 -3.407  -28.284 1.00 23.00 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.329 -2.153  -28.539 1.00 28.25 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.487 -1.183  -27.570 1.00 32.12 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -16.982 -1.712  -29.643 1.00 31.74 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.204 -0.176  -28.064 1.00 26.09 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.533 -0.483  -29.342 1.00 32.55 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.657 -5.121  -27.603 1.00 16.66 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.895 -5.618  -28.233 1.00 17.43 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.722 -4.416  -28.749 1.00 17.43 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.776 -3.409  -28.070 1.00 17.41 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.699 -6.443  -27.206 1.00 17.22 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.892 -7.644  -26.699 1.00 18.17 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.034 -6.833  -27.811 1.00 17.12 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.342 -8.574  -27.762 1.00 16.84 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.331 -4.602  -29.896 1.00 15.96 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.328 -3.637  -30.439 1.00 17.09 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.572 -4.415  -30.827 1.00 17.36 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.517 -5.619  -31.115 1.00 18.86 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.759 -2.854  -31.626 1.00 18.68 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.398 -3.746  -32.664 1.00 20.71 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.596 -1.955  -31.248 1.00 20.30 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.711 -3.715  -30.805 1.00 15.56 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -25.996 -4.356  -31.102 1.00 15.57 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.281 -4.345  -32.593 1.00 15.09 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -25.962 -3.315  -33.247 1.00 17.52 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.075 -3.625  -30.318 1.00 15.80 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.860 -3.646  -28.814 1.00 16.66 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.841 -2.720  -28.096 1.00 17.99 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -26.936 -5.076  -28.263 1.00 19.06 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.881 -5.383  -33.094 1.00 14.61 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.268 -5.576  -34.503 1.00 15.68 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.755 -5.175  -34.669 1.00 16.18 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.643 -5.983  -34.379 1.00 14.86 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -26.952 -6.984  -35.007 1.00 15.98 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.282 -7.259  -36.463 1.00 21.11 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.940 -6.410  -37.079 1.00 19.70 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -26.968 -8.364  -36.936 1.00 20.75 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -28.978 -3.948  -35.167 0.25 16.90 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.001 -3.957  -35.166 0.25 17.14 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.315 -3.340  -35.440 0.25 18.06 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.368 -3.386  -35.351 0.25 18.33 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.219 -4.311  -36.198 0.25 17.06 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.238 -4.313  -36.208 0.25 16.92 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.440 -4.327  -35.937 0.25 17.94 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.466 -4.327  -36.012 0.25 16.24 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.177 -2.083  -36.315 0.25 18.77 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.293 -2.000  -36.012 0.25 20.40 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.276 -1.006  -35.733 0.25 21.26 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.844 -0.885  -35.078 0.25 23.23 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.298 0.305   -36.511 0.25 21.13 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.414 -0.436  -35.345 0.25 26.76 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.751 1.366   -35.681 0.25 20.73 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.263 0.447   -36.503 0.25 28.82 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.459 1.971   -34.749 0.25 19.87 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.672 0.123   -37.657 0.25 31.43 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.725 1.634   -34.591 0.25 21.05 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.139 -1.072  -37.841 0.25 35.23 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.915 2.898   -33.987 0.25 21.03 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.606 1.016   -38.627 0.25 33.54 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.645 -5.044  -37.152 1.00 16.57 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.422 -5.893  -38.067 1.00 17.91 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.116 -7.036  -37.328 1.00 16.33 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.127 -7.539  -37.814 1.00 16.92 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.548 -6.368  -39.235 1.00 22.95 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.330 -5.251  -40.229 1.00 28.38 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.102 -4.283  -40.278 1.00 36.01 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.271 -5.362  -41.006 1.00 40.23 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.560 -7.453  -36.171 1.00 14.51 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.112 -8.562  -35.389 1.00 14.23 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.163 -8.076  -34.374 1.00 13.14 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.814 -8.915  -33.758 1.00 13.56 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.034 -9.351  -34.630 1.00 13.49 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.441 -8.544  -33.614 1.00 14.28 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -29.994 -9.910  -35.586 1.00 15.55 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.230 -6.788  -34.151 1.00 13.83 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.055 -6.241  -33.054 1.00 14.25 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.544 -6.448  -33.319 1.00 14.89 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.043 -6.143  -34.434 1.00 14.53 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.739 -4.792  -32.906 1.00 14.27 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.289 -6.783  -32.285 1.00 13.64 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.750 -6.562  -32.288 1.00 13.81 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -37.993 -5.111  -32.738 1.00 12.94 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.300 -4.174  -32.373 1.00 12.98 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.264 -6.913  -30.901 1.00 13.82 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.735 -6.624  -30.795 1.00 15.91 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.140 -5.511  -30.526 1.00 16.65 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.522 -7.612  -31.072 1.00 17.36 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.081 -4.945  -33.472 1.00 14.01 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.445 -3.679  -34.137 1.00 14.28 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.846 -2.594  -33.141 1.00 14.46 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -39.909 -1.449  -33.602 1.00 14.85 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.551 -3.905  -35.140 1.00 15.98 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.687 -4.374  -34.454 1.00 20.94 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.045 -2.877  -31.862 1.00 12.84 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.336 -1.835  -30.865 1.00 13.60 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.089 -1.319  -30.177 1.00 13.93 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.199 -0.390  -29.375 1.00 13.71 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.340 -2.349  -29.863 1.00 14.99 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.738 -2.447  -30.392 1.00 15.35 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.148 -3.041  -31.558 1.00 17.29 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.919 -2.005  -29.719 1.00 15.46 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.516 -2.947  -31.675 1.00 19.54 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.000 -2.342  -30.562 1.00 15.92 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.158 -1.323  -28.519 1.00 16.03 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.325 -2.036  -30.206 1.00 19.08 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.473 -1.019  -28.174 1.00 17.25 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.517 -1.443  -28.982 1.00 19.41 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.910 -1.920  -30.469 1.00 12.88 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.701 -1.516  -29.733 1.00 13.54 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.092 -0.264  -30.372 1.00 14.04 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.105 -0.098  -31.596 1.00 14.27 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.668 -2.642  -29.696 1.00 12.79 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.104 -3.896  -28.968 1.00 13.48 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.011 -4.940  -29.030 1.00 13.54 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.511 -3.615  -27.549 1.00 13.92 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.471 0.507   -29.504 1.00 12.64 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.702 1.717   -29.886 1.00 13.60 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.267 1.487   -29.455 1.00 14.33 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.008 1.400   -28.240 1.00 14.77 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.267 2.966   -29.256 1.00 14.71 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.733 3.221   -29.662 1.00 15.67 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.418 4.180   -29.663 1.00 16.10 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.448 4.253   -28.887 1.00 17.34 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.391 1.404   -30.450 1.00 17.37 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.934 1.185   -30.239 1.00 16.56 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.248 2.520   -30.424 1.00 17.17 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.521 3.259   -31.446 1.00 19.56 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.411 0.138   -31.201 1.00 16.87 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -30.935 -1.243  -30.823 1.00 19.82 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.879 0.106   -31.206 1.00 17.67 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.740 -2.217  -31.815 1.00 23.65 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.365 2.879   -29.530 1.00 16.77 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.654 4.158   -29.571 1.00 16.36 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.730 4.254   -30.797 1.00 16.27 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.365 3.263   -31.413 1.00 17.69 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.960 4.327   -28.274 1.00 17.23 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.938 3.345   -28.166 1.00 17.88 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.377 5.495   -31.156 1.00 19.82 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.465 5.767   -32.297 1.00 19.81 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.187 4.928   -32.211 1.00 17.56 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.757 4.450   -33.246 1.00 21.34 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.118 7.265   -32.272 1.00 23.93 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.174 7.695   -33.368 1.00 27.27 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.366 9.151   -33.630 1.00 27.32 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.165 9.965   -32.383 1.00 32.86 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.354 11.383  -32.725 1.00 37.15 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.606 4.840   -31.015 1.00 19.42 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.319 4.123   -30.791 1.00 19.27 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.540 2.601   -30.764 1.00 19.51 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.551 1.879   -30.661 1.00 17.19 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.606 4.667   -29.563 1.00 20.26 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.266 4.406   -28.221 1.00 20.16 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.348 3.716   -28.203 1.00 20.43 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.668 4.822   -27.207 1.00 22.95 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.761 2.118   -30.873 1.00 16.20 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.139 0.686   -30.869 1.00 16.91 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.675 0.040   -29.549 1.00 14.81 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.525 -1.210  -29.530 1.00 14.88 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.609 0.001   -32.133 1.00 19.48 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.249 0.565   -33.399 1.00 24.78 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.910 -0.132  -34.679 1.00 33.15 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.484 -0.292  -34.857 1.00 41.50 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.790 -1.446  -34.752 1.00 56.65 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.378 -2.610  -34.463 1.00 49.72 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.477 -1.420  -34.954 1.00 60.60 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.643 0.782   -28.463 1.00 13.56 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.264 0.247   -27.137 1.00 15.16 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.429 0.260   -26.140 1.00 14.38 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.256 -0.307  -25.043 1.00 15.30 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.079 1.032   -26.560 1.00 16.71 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.869 0.868   -27.467 1.00 19.88 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -20.995 -0.321  -27.209 1.00 20.49 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.225 -0.123  -25.983 1.00 22.45 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.464 -1.072  -25.410 1.00 20.77 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.365 -2.248  -25.971 1.00 22.25 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.812 -0.788  -24.303 1.00 21.67 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.592 0.833   -26.442 1.00 14.00 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.737 0.914   -25.529 1.00 14.71 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.002 0.525   -26.282 1.00 14.21 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.094 0.738   -27.513 1.00 14.71 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.917 2.300   -24.904 1.00 16.90 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.658 2.853   -24.314 1.00 19.24 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -26.993 4.092   -23.519 1.00 24.73 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.146 4.361   -23.144 1.00 27.12 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.001 4.920   -23.334 1.00 26.68 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.933 -0.124  -25.576 1.00 13.23 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.225 -0.523  -26.177 1.00 13.13 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.300 -0.362  -25.121 1.00 13.22 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.102 -0.711  -23.983 1.00 12.69 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.162 -1.916  -26.797 1.00 12.79 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.712 -2.988  -25.787 1.00 12.74 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.481 -2.324  -27.426 1.00 13.89 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.455 0.151   -25.540 1.00 13.49 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.639 0.254   -24.666 1.00 13.76 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.895 -0.058  -25.472 1.00 13.20 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.912 -0.003  -26.709 1.00 12.70 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.743 1.632   -24.003 1.00 14.94 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.064 2.757   -24.968 1.00 17.41 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.917 4.094   -24.257 1.00 20.57 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.169 5.183   -25.175 1.00 24.50 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.352 5.681   -25.448 1.00 21.47 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.446 5.181   -24.936 1.00 23.44 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.424 6.708   -26.303 1.00 26.80 ? 38  ARG B NH2 1 
ATOM   283  N N   . MET A 1 33  ? -36.953 -0.380  -24.723 0.42 12.96 ? 39  MET B N   1 
ATOM   284  C CA  . MET A 1 33  ? -38.328 -0.609  -25.242 0.42 13.75 ? 39  MET B CA  1 
ATOM   285  C C   . MET A 1 33  ? -38.971 0.730   -25.615 0.42 14.05 ? 39  MET B C   1 
ATOM   286  O O   . MET A 1 33  ? -39.179 1.562   -24.698 0.42 14.41 ? 39  MET B O   1 
ATOM   287  C CB  . MET A 1 33  ? -39.181 -1.286  -24.165 0.42 13.60 ? 39  MET B CB  1 
ATOM   288  C CG  . MET A 1 33  ? -40.676 -1.320  -24.491 0.42 13.64 ? 39  MET B CG  1 
ATOM   289  S SD  . MET A 1 33  ? -41.042 -2.384  -25.938 0.42 14.52 ? 39  MET B SD  1 
ATOM   290  C CE  . MET A 1 33  ? -41.153 -3.993  -25.159 0.42 15.77 ? 39  MET B CE  1 
ATOM   291  N N   . GLY A 1 34  ? -39.334 0.901   -26.890 1.00 14.01 ? 40  GLY B N   1 
ATOM   292  C CA  . GLY A 1 34  ? -40.135 2.068   -27.299 1.00 15.45 ? 40  GLY B CA  1 
ATOM   293  C C   . GLY A 1 34  ? -41.585 1.906   -26.892 1.00 16.59 ? 40  GLY B C   1 
ATOM   294  O O   . GLY A 1 34  ? -42.017 0.809   -26.463 1.00 16.19 ? 40  GLY B O   1 
ATOM   295  N N   . ASP A 1 35  ? -42.345 3.008   -27.027 1.00 20.32 ? 41  ASP B N   1 
ATOM   296  C CA  . ASP A 1 35  ? -43.780 2.955   -26.604 1.00 21.94 ? 41  ASP B CA  1 
ATOM   297  C C   . ASP A 1 35  ? -44.646 2.537   -27.819 1.00 20.28 ? 41  ASP B C   1 
ATOM   298  O O   . ASP A 1 35  ? -45.888 2.406   -27.655 1.00 21.46 ? 41  ASP B O   1 
ATOM   299  C CB  . ASP A 1 35  ? -44.207 4.237   -25.846 1.00 27.82 ? 41  ASP B CB  1 
ATOM   300  C CG  . ASP A 1 35  ? -43.783 4.325   -24.354 1.00 37.24 ? 41  ASP B CG  1 
ATOM   301  O OD1 . ASP A 1 35  ? -43.621 3.271   -23.681 1.00 35.87 ? 41  ASP B OD1 1 
ATOM   302  O OD2 . ASP A 1 35  ? -43.665 5.454   -23.815 1.00 43.18 ? 41  ASP B OD2 1 
ATOM   303  N N   . THR A 1 36  ? -44.046 2.269   -28.977 1.00 16.86 ? 42  THR B N   1 
ATOM   304  C CA  . THR A 1 36  ? -44.775 1.915   -30.233 1.00 17.56 ? 42  THR B CA  1 
ATOM   305  C C   . THR A 1 36  ? -43.823 1.207   -31.185 1.00 16.24 ? 42  THR B C   1 
ATOM   306  O O   . THR A 1 36  ? -42.546 1.183   -30.968 1.00 14.88 ? 42  THR B O   1 
ATOM   307  C CB  . THR A 1 36  ? -45.359 3.198   -30.855 1.00 18.79 ? 42  THR B CB  1 
ATOM   308  O OG1 . THR A 1 36  ? -46.228 2.800   -31.893 1.00 21.64 ? 42  THR B OG1 1 
ATOM   309  C CG2 . THR A 1 36  ? -44.281 4.080   -31.441 1.00 19.93 ? 42  THR B CG2 1 
ATOM   310  N N   . HIS A 1 37  ? -44.309 0.673   -32.298 1.00 17.49 ? 43  HIS B N   1 
ATOM   311  C CA  . HIS A 1 37  ? -43.457 0.210   -33.430 1.00 16.30 ? 43  HIS B CA  1 
ATOM   312  C C   . HIS A 1 37  ? -42.514 1.305   -33.881 1.00 18.00 ? 43  HIS B C   1 
ATOM   313  O O   . HIS A 1 37  ? -42.982 2.481   -34.116 1.00 18.37 ? 43  HIS B O   1 
ATOM   314  C CB  . HIS A 1 37  ? -44.393 -0.271  -34.539 1.00 16.01 ? 43  HIS B CB  1 
ATOM   315  C CG  . HIS A 1 37  ? -43.762 -0.934  -35.710 1.00 16.35 ? 43  HIS B CG  1 
ATOM   316  N ND1 . HIS A 1 37  ? -42.995 -0.264  -36.659 1.00 17.38 ? 43  HIS B ND1 1 
ATOM   317  C CD2 . HIS A 1 37  ? -43.866 -2.211  -36.122 1.00 15.96 ? 43  HIS B CD2 1 
ATOM   318  C CE1 . HIS A 1 37  ? -42.656 -1.123  -37.594 1.00 17.30 ? 43  HIS B CE1 1 
ATOM   319  N NE2 . HIS A 1 37  ? -43.185 -2.354  -37.291 1.00 16.29 ? 43  HIS B NE2 1 
ATOM   320  N N   . GLN A 1 38  ? -41.242 0.977   -34.122 1.00 15.99 ? 44  GLN B N   1 
ATOM   321  C CA  . GLN A 1 38  ? -40.241 2.012   -34.418 1.00 15.76 ? 44  GLN B CA  1 
ATOM   322  C C   . GLN A 1 38  ? -40.027 2.249   -35.922 1.00 17.94 ? 44  GLN B C   1 
ATOM   323  O O   . GLN A 1 38  ? -39.002 2.850   -36.314 1.00 18.40 ? 44  GLN B O   1 
ATOM   324  C CB  . GLN A 1 38  ? -38.945 1.632   -33.719 1.00 15.89 ? 44  GLN B CB  1 
ATOM   325  C CG  . GLN A 1 38  ? -39.068 1.723   -32.232 1.00 15.76 ? 44  GLN B CG  1 
ATOM   326  C CD  . GLN A 1 38  ? -39.554 3.048   -31.719 1.00 16.39 ? 44  GLN B CD  1 
ATOM   327  O OE1 . GLN A 1 38  ? -40.510 3.183   -30.961 1.00 19.60 ? 44  GLN B OE1 1 
ATOM   328  N NE2 . GLN A 1 38  ? -38.910 4.099   -32.180 1.00 15.13 ? 44  GLN B NE2 1 
ATOM   329  N N   . ASN A 1 39  ? -40.995 1.898   -36.755 1.00 16.03 ? 45  ASN B N   1 
ATOM   330  C CA  . ASN A 1 39  ? -41.044 2.383   -38.165 1.00 15.62 ? 45  ASN B CA  1 
ATOM   331  C C   . ASN A 1 39  ? -39.952 1.771   -39.026 1.00 17.66 ? 45  ASN B C   1 
ATOM   332  O O   . ASN A 1 39  ? -39.473 2.395   -39.994 1.00 18.47 ? 45  ASN B O   1 
ATOM   333  C CB  . ASN A 1 39  ? -41.113 3.918   -38.256 1.00 17.10 ? 45  ASN B CB  1 
ATOM   334  C CG  . ASN A 1 39  ? -41.755 4.390   -39.553 1.00 15.93 ? 45  ASN B CG  1 
ATOM   335  O OD1 . ASN A 1 39  ? -42.625 3.731   -40.106 1.00 15.52 ? 45  ASN B OD1 1 
ATOM   336  N ND2 . ASN A 1 39  ? -41.321 5.557   -40.057 1.00 15.52 ? 45  ASN B ND2 1 
ATOM   337  N N   . VAL A 1 40  ? -39.620 0.533   -38.742 1.00 18.22 ? 46  VAL B N   1 
ATOM   338  C CA  . VAL A 1 40  ? -38.642 -0.278  -39.515 1.00 18.72 ? 46  VAL B CA  1 
ATOM   339  C C   . VAL A 1 40  ? -39.414 -1.336  -40.313 1.00 17.56 ? 46  VAL B C   1 
ATOM   340  O O   . VAL A 1 40  ? -40.468 -1.763  -39.839 1.00 19.21 ? 46  VAL B O   1 
ATOM   341  C CB  . VAL A 1 40  ? -37.587 -0.915  -38.595 1.00 19.79 ? 46  VAL B CB  1 
ATOM   342  C CG1 . VAL A 1 40  ? -36.687 0.121   -37.937 1.00 21.83 ? 46  VAL B CG1 1 
ATOM   343  C CG2 . VAL A 1 40  ? -38.213 -1.804  -37.548 1.00 21.34 ? 46  VAL B CG2 1 
ATOM   344  N N   . SER A 1 41  ? -38.875 -1.799  -41.435 1.00 19.13 ? 47  SER B N   1 
ATOM   345  C CA  . SER A 1 41  ? -39.448 -2.932  -42.183 1.00 20.25 ? 47  SER B CA  1 
ATOM   346  C C   . SER A 1 41  ? -39.223 -4.243  -41.429 1.00 19.20 ? 47  SER B C   1 
ATOM   347  O O   . SER A 1 41  ? -38.248 -4.340  -40.653 1.00 19.24 ? 47  SER B O   1 
ATOM   348  C CB  . SER A 1 41  ? -38.891 -2.976  -43.594 1.00 23.56 ? 47  SER B CB  1 
ATOM   349  O OG  . SER A 1 41  ? -37.513 -3.251  -43.551 1.00 27.11 ? 47  SER B OG  1 
ATOM   350  N N   . ASP A 1 42  ? -40.054 -5.253  -41.650 1.00 19.66 ? 48  ASP B N   1 
ATOM   351  C CA  . ASP A 1 42  ? -39.900 -6.595  -41.049 1.00 18.68 ? 48  ASP B CA  1 
ATOM   352  C C   . ASP A 1 42  ? -38.860 -7.354  -41.865 1.00 20.89 ? 48  ASP B C   1 
ATOM   353  O O   . ASP A 1 42  ? -38.587 -7.018  -43.035 1.00 20.40 ? 48  ASP B O   1 
ATOM   354  C CB  . ASP A 1 42  ? -41.226 -7.346  -40.978 1.00 20.07 ? 48  ASP B CB  1 
ATOM   355  C CG  . ASP A 1 42  ? -41.299 -8.362  -39.819 1.00 23.53 ? 48  ASP B CG  1 
ATOM   356  O OD1 . ASP A 1 42  ? -40.280 -8.524  -39.086 1.00 18.80 ? 48  ASP B OD1 1 
ATOM   357  O OD2 . ASP A 1 42  ? -42.418 -8.933  -39.537 1.00 25.89 ? 48  ASP B OD2 1 
ATOM   358  N N   . ASN A 1 43  ? -38.247 -8.344  -41.226 1.00 18.21 ? 49  ASN B N   1 
ATOM   359  C CA  . ASN A 1 43  ? -37.247 -9.215  -41.900 1.00 19.88 ? 49  ASN B CA  1 
ATOM   360  C C   . ASN A 1 43  ? -37.174 -10.513 -41.104 1.00 20.26 ? 49  ASN B C   1 
ATOM   361  O O   . ASN A 1 43  ? -37.770 -10.594 -40.010 1.00 20.26 ? 49  ASN B O   1 
ATOM   362  C CB  . ASN A 1 43  ? -35.905 -8.545  -42.089 1.00 19.42 ? 49  ASN B CB  1 
ATOM   363  C CG  . ASN A 1 43  ? -35.157 -8.329  -40.784 1.00 19.48 ? 49  ASN B CG  1 
ATOM   364  O OD1 . ASN A 1 43  ? -34.989 -9.271  -40.005 1.00 20.92 ? 49  ASN B OD1 1 
ATOM   365  N ND2 . ASN A 1 43  ? -34.726 -7.146  -40.507 1.00 17.55 ? 49  ASN B ND2 1 
ATOM   366  N N   . LYS A 1 44  ? -36.559 -11.537 -41.682 1.00 21.49 ? 50  LYS B N   1 
ATOM   367  C CA  . LYS A 1 44  ? -36.567 -12.894 -41.095 1.00 23.41 ? 50  LYS B CA  1 
ATOM   368  C C   . LYS A 1 44  ? -35.686 -12.955 -39.828 1.00 18.58 ? 50  LYS B C   1 
ATOM   369  O O   . LYS A 1 44  ? -35.873 -13.891 -39.052 1.00 20.53 ? 50  LYS B O   1 
ATOM   370  C CB  . LYS A 1 44  ? -36.057 -13.896 -42.138 1.00 26.63 ? 50  LYS B CB  1 
ATOM   371  C CG  . LYS A 1 44  ? -34.632 -13.649 -42.583 1.00 33.22 ? 50  LYS B CG  1 
ATOM   372  C CD  . LYS A 1 44  ? -34.211 -14.410 -43.829 1.00 42.24 ? 50  LYS B CD  1 
ATOM   373  C CE  . LYS A 1 44  ? -32.714 -14.639 -43.839 1.00 45.13 ? 50  LYS B CE  1 
ATOM   374  N NZ  . LYS A 1 44  ? -32.322 -15.507 -44.973 1.00 53.92 ? 50  LYS B NZ  1 
ATOM   375  N N   . GLU A 1 45  ? -34.802 -11.990 -39.637 1.00 18.65 ? 51  GLU B N   1 
ATOM   376  C CA  . GLU A 1 45  ? -33.876 -11.979 -38.459 1.00 18.46 ? 51  GLU B CA  1 
ATOM   377  C C   . GLU A 1 45  ? -34.595 -11.450 -37.199 1.00 17.58 ? 51  GLU B C   1 
ATOM   378  O O   . GLU A 1 45  ? -34.144 -11.761 -36.070 1.00 18.81 ? 51  GLU B O   1 
ATOM   379  C CB  . GLU A 1 45  ? -32.678 -11.091 -38.746 1.00 20.58 ? 51  GLU B CB  1 
ATOM   380  C CG  . GLU A 1 45  ? -31.749 -11.554 -39.886 1.00 24.85 ? 51  GLU B CG  1 
ATOM   381  C CD  . GLU A 1 45  ? -30.600 -10.567 -40.050 1.00 30.57 ? 51  GLU B CD  1 
ATOM   382  O OE1 . GLU A 1 45  ? -30.623 -9.765  -41.030 1.00 38.65 ? 51  GLU B OE1 1 
ATOM   383  O OE2 . GLU A 1 45  ? -29.693 -10.512 -39.185 1.00 35.22 ? 51  GLU B OE2 1 
ATOM   384  N N   . ARG A 1 46  ? -35.617 -10.603 -37.313 1.00 16.57 ? 52  ARG B N   1 
ATOM   385  C CA  . ARG A 1 46  ? -36.136 -9.889  -36.124 1.00 15.71 ? 52  ARG B CA  1 
ATOM   386  C C   . ARG A 1 46  ? -36.860 -10.820 -35.167 1.00 14.91 ? 52  ARG B C   1 
ATOM   387  O O   . ARG A 1 46  ? -37.729 -11.640 -35.564 1.00 15.78 ? 52  ARG B O   1 
ATOM   388  C CB  . ARG A 1 46  ? -37.116 -8.787  -36.548 1.00 14.65 ? 52  ARG B CB  1 
ATOM   389  C CG  . ARG A 1 46  ? -36.518 -7.662  -37.341 1.00 15.06 ? 52  ARG B CG  1 
ATOM   390  C CD  . ARG A 1 46  ? -37.485 -6.455  -37.331 1.00 15.33 ? 52  ARG B CD  1 
ATOM   391  N NE  . ARG A 1 46  ? -36.957 -5.433  -38.213 1.00 16.64 ? 52  ARG B NE  1 
ATOM   392  C CZ  . ARG A 1 46  ? -35.864 -4.697  -37.998 1.00 15.98 ? 52  ARG B CZ  1 
ATOM   393  N NH1 . ARG A 1 46  ? -35.242 -4.718  -36.820 1.00 16.29 ? 52  ARG B NH1 1 
ATOM   394  N NH2 . ARG A 1 46  ? -35.371 -3.877  -38.926 1.00 18.90 ? 52  ARG B NH2 1 
ATOM   395  N N   . PHE A 1 47  ? -36.556 -10.753 -33.859 1.00 14.00 ? 53  PHE B N   1 
ATOM   396  C CA  . PHE A 1 47  ? -37.373 -11.456 -32.861 1.00 13.85 ? 53  PHE B CA  1 
ATOM   397  C C   . PHE A 1 47  ? -38.794 -10.856 -32.882 1.00 15.92 ? 53  PHE B C   1 
ATOM   398  O O   . PHE A 1 47  ? -38.923 -9.659  -32.618 1.00 16.23 ? 53  PHE B O   1 
ATOM   399  C CB  . PHE A 1 47  ? -36.740 -11.340 -31.476 1.00 13.44 ? 53  PHE B CB  1 
ATOM   400  C CG  . PHE A 1 47  ? -35.512 -12.208 -31.363 1.00 12.43 ? 53  PHE B CG  1 
ATOM   401  C CD1 . PHE A 1 47  ? -35.619 -13.561 -31.091 1.00 12.97 ? 53  PHE B CD1 1 
ATOM   402  C CD2 . PHE A 1 47  ? -34.233 -11.657 -31.464 1.00 13.56 ? 53  PHE B CD2 1 
ATOM   403  C CE1 . PHE A 1 47  ? -34.480 -14.360 -30.980 1.00 13.98 ? 53  PHE B CE1 1 
ATOM   404  C CE2 . PHE A 1 47  ? -33.101 -12.470 -31.338 1.00 13.55 ? 53  PHE B CE2 1 
ATOM   405  C CZ  . PHE A 1 47  ? -33.253 -13.816 -31.105 1.00 12.66 ? 53  PHE B CZ  1 
ATOM   406  N N   . SER A 1 48  ? -39.812 -11.642 -33.127 1.00 16.48 ? 54  SER B N   1 
ATOM   407  C CA  . SER A 1 48  ? -41.186 -11.091 -33.321 1.00 17.64 ? 54  SER B CA  1 
ATOM   408  C C   . SER A 1 48  ? -41.938 -10.988 -32.004 1.00 16.79 ? 54  SER B C   1 
ATOM   409  O O   . SER A 1 48  ? -42.724 -10.028 -31.851 1.00 18.92 ? 54  SER B O   1 
ATOM   410  C CB  . SER A 1 48  ? -41.944 -11.969 -34.304 1.00 17.81 ? 54  SER B CB  1 
ATOM   411  O OG  . SER A 1 48  ? -42.089 -13.288 -33.864 1.00 17.97 ? 54  SER B OG  1 
ATOM   412  N N   . ASN A 1 49  ? -41.824 -11.922 -31.087 1.00 14.60 ? 55  ASN B N   1 
ATOM   413  C CA  . ASN A 1 49  ? -42.748 -12.073 -29.940 1.00 16.29 ? 55  ASN B CA  1 
ATOM   414  C C   . ASN A 1 49  ? -42.245 -11.396 -28.663 1.00 15.01 ? 55  ASN B C   1 
ATOM   415  O O   . ASN A 1 49  ? -43.003 -11.296 -27.699 1.00 16.63 ? 55  ASN B O   1 
ATOM   416  C CB  . ASN A 1 49  ? -43.078 -13.523 -29.644 1.00 17.01 ? 55  ASN B CB  1 
ATOM   417  C CG  . ASN A 1 49  ? -43.996 -14.180 -30.664 1.00 19.87 ? 55  ASN B CG  1 
ATOM   418  O OD1 . ASN A 1 49  ? -43.798 -14.078 -31.865 1.00 21.77 ? 55  ASN B OD1 1 
ATOM   419  N ND2 . ASN A 1 49  ? -44.951 -14.921 -30.134 1.00 24.16 ? 55  ASN B ND2 1 
ATOM   420  N N   . TYR A 1 50  ? -40.942 -11.066 -28.592 1.00 13.62 ? 56  TYR B N   1 
ATOM   421  C CA  . TYR A 1 50  ? -40.313 -10.597 -27.339 1.00 12.79 ? 56  TYR B CA  1 
ATOM   422  C C   . TYR A 1 50  ? -39.380 -9.445  -27.689 1.00 12.50 ? 56  TYR B C   1 
ATOM   423  O O   . TYR A 1 50  ? -38.837 -9.370  -28.800 1.00 14.15 ? 56  TYR B O   1 
ATOM   424  C CB  . TYR A 1 50  ? -39.503 -11.737 -26.699 1.00 12.57 ? 56  TYR B CB  1 
ATOM   425  C CG  . TYR A 1 50  ? -40.210 -13.071 -26.592 1.00 14.03 ? 56  TYR B CG  1 
ATOM   426  C CD1 . TYR A 1 50  ? -41.218 -13.251 -25.650 1.00 16.49 ? 56  TYR B CD1 1 
ATOM   427  C CD2 . TYR A 1 50  ? -39.933 -14.132 -27.435 1.00 14.83 ? 56  TYR B CD2 1 
ATOM   428  C CE1 . TYR A 1 50  ? -41.905 -14.457 -25.528 1.00 18.21 ? 56  TYR B CE1 1 
ATOM   429  C CE2 . TYR A 1 50  ? -40.658 -15.314 -27.385 1.00 16.42 ? 56  TYR B CE2 1 
ATOM   430  C CZ  . TYR A 1 50  ? -41.596 -15.494 -26.389 1.00 16.04 ? 56  TYR B CZ  1 
ATOM   431  O OH  . TYR A 1 50  ? -42.239 -16.713 -26.317 1.00 17.37 ? 56  TYR B OH  1 
ATOM   432  N N   . PRO A 1 51  ? -39.048 -8.588  -26.709 1.00 12.58 ? 57  PRO B N   1 
ATOM   433  C CA  . PRO A 1 51  ? -38.202 -7.415  -26.934 1.00 12.76 ? 57  PRO B CA  1 
ATOM   434  C C   . PRO A 1 51  ? -36.691 -7.744  -26.924 1.00 12.28 ? 57  PRO B C   1 
ATOM   435  O O   . PRO A 1 51  ? -35.901 -7.222  -26.121 1.00 12.54 ? 57  PRO B O   1 
ATOM   436  C CB  . PRO A 1 51  ? -38.588 -6.423  -25.807 1.00 15.53 ? 57  PRO B CB  1 
ATOM   437  C CG  . PRO A 1 51  ? -39.661 -7.099  -25.014 1.00 16.26 ? 57  PRO B CG  1 
ATOM   438  C CD  . PRO A 1 51  ? -39.725 -8.525  -25.420 1.00 13.98 ? 57  PRO B CD  1 
ATOM   439  N N   . MET A 1 52  ? -36.300 -8.615  -27.869 1.00 11.38 ? 58  MET B N   1 
ATOM   440  C CA  . MET A 1 52  ? -34.934 -9.217  -27.948 1.00 10.95 ? 58  MET B CA  1 
ATOM   441  C C   . MET A 1 52  ? -34.129 -8.617  -29.099 1.00 11.73 ? 58  MET B C   1 
ATOM   442  O O   . MET A 1 52  ? -34.649 -8.156  -30.130 1.00 12.45 ? 58  MET B O   1 
ATOM   443  C CB  . MET A 1 52  ? -35.061 -10.724 -28.102 1.00 11.74 ? 58  MET B CB  1 
ATOM   444  C CG  . MET A 1 52  ? -35.601 -11.435 -26.899 1.00 11.19 ? 58  MET B CG  1 
ATOM   445  S SD  . MET A 1 52  ? -36.107 -13.123 -27.308 1.00 12.86 ? 58  MET B SD  1 
ATOM   446  C CE  . MET A 1 52  ? -36.720 -13.741 -25.755 1.00 13.43 ? 58  MET B CE  1 
ATOM   447  N N   . VAL A 1 53  ? -32.817 -8.685  -28.935 1.00 11.26 ? 59  VAL B N   1 
ATOM   448  C CA  . VAL A 1 53  ? -31.830 -8.230  -29.946 1.00 11.92 ? 59  VAL B CA  1 
ATOM   449  C C   . VAL A 1 53  ? -30.536 -9.009  -29.730 1.00 12.30 ? 59  VAL B C   1 
ATOM   450  O O   . VAL A 1 53  ? -30.225 -9.403  -28.579 1.00 12.44 ? 59  VAL B O   1 
ATOM   451  C CB  . VAL A 1 53  ? -31.640 -6.696  -29.912 1.00 12.32 ? 59  VAL B CB  1 
ATOM   452  C CG1 . VAL A 1 53  ? -31.105 -6.182  -28.589 1.00 12.31 ? 59  VAL B CG1 1 
ATOM   453  C CG2 . VAL A 1 53  ? -30.800 -6.152  -31.064 1.00 12.73 ? 59  VAL B CG2 1 
ATOM   454  N N   . LEU A 1 54  ? -29.781 -9.164  -30.795 1.00 12.21 ? 60  LEU B N   1 
ATOM   455  C CA  . LEU A 1 54  ? -28.452 -9.821  -30.742 1.00 11.85 ? 60  LEU B CA  1 
ATOM   456  C C   . LEU A 1 54  ? -27.333 -8.806  -30.857 1.00 12.35 ? 60  LEU B C   1 
ATOM   457  O O   . LEU A 1 54  ? -27.456 -7.755  -31.577 1.00 13.78 ? 60  LEU B O   1 
ATOM   458  C CB  . LEU A 1 54  ? -28.309 -10.858 -31.852 1.00 12.45 ? 60  LEU B CB  1 
ATOM   459  C CG  . LEU A 1 54  ? -29.348 -11.955 -31.872 1.00 12.69 ? 60  LEU B CG  1 
ATOM   460  C CD1 . LEU A 1 54  ? -29.066 -13.058 -32.882 1.00 15.07 ? 60  LEU B CD1 1 
ATOM   461  C CD2 . LEU A 1 54  ? -29.530 -12.613 -30.518 1.00 13.21 ? 60  LEU B CD2 1 
ATOM   462  N N   . GLY A 1 55  ? -26.170 -9.151  -30.308 1.00 12.74 ? 61  GLY B N   1 
ATOM   463  C CA  . GLY A 1 55  ? -24.924 -8.458  -30.671 1.00 13.34 ? 61  GLY B CA  1 
ATOM   464  C C   . GLY A 1 55  ? -24.510 -8.819  -32.099 1.00 13.10 ? 61  GLY B C   1 
ATOM   465  O O   . GLY A 1 55  ? -24.855 -9.862  -32.606 1.00 14.10 ? 61  GLY B O   1 
ATOM   466  N N   . ALA A 1 56  ? -23.769 -7.915  -32.707 1.00 14.73 ? 62  ALA B N   1 
ATOM   467  C CA  . ALA A 1 56  ? -23.264 -8.082  -34.090 1.00 16.95 ? 62  ALA B CA  1 
ATOM   468  C C   . ALA A 1 56  ? -22.157 -9.144  -34.137 1.00 17.04 ? 62  ALA B C   1 
ATOM   469  O O   . ALA A 1 56  ? -22.004 -9.826  -35.156 1.00 20.94 ? 62  ALA B O   1 
ATOM   470  C CB  . ALA A 1 56  ? -22.776 -6.752  -34.565 1.00 18.12 ? 62  ALA B CB  1 
ATOM   471  N N   . GLN A 1 57  ? -21.412 -9.259  -33.042 1.00 15.90 ? 63  GLN B N   1 
ATOM   472  C CA  . GLN A 1 57  ? -20.199 -10.117 -33.036 1.00 16.08 ? 63  GLN B CA  1 
ATOM   473  C C   . GLN A 1 57  ? -20.641 -11.581 -33.034 1.00 17.25 ? 63  GLN B C   1 
ATOM   474  O O   . GLN A 1 57  ? -21.656 -11.976 -32.384 1.00 18.37 ? 63  GLN B O   1 
ATOM   475  C CB  . GLN A 1 57  ? -19.356 -9.740  -31.806 1.00 17.98 ? 63  GLN B CB  1 
ATOM   476  C CG  . GLN A 1 57  ? -18.668 -8.391  -31.892 1.00 19.15 ? 63  GLN B CG  1 
ATOM   477  C CD  . GLN A 1 57  ? -19.631 -7.231  -31.750 1.00 20.16 ? 63  GLN B CD  1 
ATOM   478  O OE1 . GLN A 1 57  ? -20.578 -7.303  -30.967 1.00 18.60 ? 63  GLN B OE1 1 
ATOM   479  N NE2 . GLN A 1 57  ? -19.401 -6.142  -32.455 1.00 22.68 ? 63  GLN B NE2 1 
ATOM   480  N N   . ARG A 1 58  ? -19.908 -12.444 -33.740 1.00 17.69 ? 64  ARG B N   1 
ATOM   481  C CA  . ARG A 1 58  ? -20.049 -13.895 -33.729 1.00 18.40 ? 64  ARG B CA  1 
ATOM   482  C C   . ARG A 1 58  ? -18.772 -14.518 -33.158 1.00 16.30 ? 64  ARG B C   1 
ATOM   483  O O   . ARG A 1 58  ? -17.658 -14.084 -33.530 1.00 19.93 ? 64  ARG B O   1 
ATOM   484  C CB  . ARG A 1 58  ? -20.207 -14.452 -35.155 1.00 21.97 ? 64  ARG B CB  1 
ATOM   485  C CG  . ARG A 1 58  ? -21.574 -14.275 -35.820 1.00 31.78 ? 64  ARG B CG  1 
ATOM   486  C CD  . ARG A 1 58  ? -22.093 -12.854 -35.675 1.00 34.50 ? 64  ARG B CD  1 
ATOM   487  N NE  . ARG A 1 58  ? -22.942 -12.125 -36.622 1.00 39.24 ? 64  ARG B NE  1 
ATOM   488  C CZ  . ARG A 1 58  ? -23.640 -12.597 -37.646 1.00 37.31 ? 64  ARG B CZ  1 
ATOM   489  N NH1 . ARG A 1 58  ? -24.362 -11.747 -38.357 1.00 43.08 ? 64  ARG B NH1 1 
ATOM   490  N NH2 . ARG A 1 58  ? -23.633 -13.871 -37.967 1.00 35.56 ? 64  ARG B NH2 1 
ATOM   491  N N   . PHE A 1 59  ? -18.914 -15.468 -32.268 1.00 15.80 ? 65  PHE B N   1 
ATOM   492  C CA  . PHE A 1 59  ? -17.755 -16.126 -31.611 1.00 16.42 ? 65  PHE B CA  1 
ATOM   493  C C   . PHE A 1 59  ? -17.824 -17.616 -31.866 1.00 15.00 ? 65  PHE B C   1 
ATOM   494  O O   . PHE A 1 59  ? -18.841 -18.260 -31.625 1.00 14.45 ? 65  PHE B O   1 
ATOM   495  C CB  . PHE A 1 59  ? -17.831 -15.853 -30.091 1.00 17.54 ? 65  PHE B CB  1 
ATOM   496  C CG  . PHE A 1 59  ? -17.815 -14.381 -29.736 1.00 19.35 ? 65  PHE B CG  1 
ATOM   497  C CD1 . PHE A 1 59  ? -16.813 -13.562 -30.241 1.00 22.70 ? 65  PHE B CD1 1 
ATOM   498  C CD2 . PHE A 1 59  ? -18.798 -13.790 -28.973 1.00 26.21 ? 65  PHE B CD2 1 
ATOM   499  C CE1 . PHE A 1 59  ? -16.724 -12.211 -29.941 1.00 24.83 ? 65  PHE B CE1 1 
ATOM   500  C CE2 . PHE A 1 59  ? -18.707 -12.432 -28.656 1.00 21.56 ? 65  PHE B CE2 1 
ATOM   501  C CZ  . PHE A 1 59  ? -17.702 -11.649 -29.166 1.00 24.35 ? 65  PHE B CZ  1 
ATOM   502  N N   A SER A 1 60  ? -16.719 -18.198 -32.354 0.25 15.28 ? 66  SER B N   1 
ATOM   503  N N   B SER A 1 60  ? -16.723 -18.195 -32.366 0.25 15.41 ? 66  SER B N   1 
ATOM   504  C CA  A SER A 1 60  ? -16.615 -19.655 -32.635 0.25 16.29 ? 66  SER B CA  1 
ATOM   505  C CA  B SER A 1 60  ? -16.594 -19.657 -32.613 0.25 16.56 ? 66  SER B CA  1 
ATOM   506  C C   A SER A 1 60  ? -15.397 -20.284 -31.927 0.25 15.87 ? 66  SER B C   1 
ATOM   507  C C   B SER A 1 60  ? -15.312 -20.219 -31.999 0.25 16.24 ? 66  SER B C   1 
ATOM   508  O O   A SER A 1 60  ? -15.252 -21.521 -31.982 0.25 15.53 ? 66  SER B O   1 
ATOM   509  O O   B SER A 1 60  ? -14.893 -21.291 -32.426 0.25 14.48 ? 66  SER B O   1 
ATOM   510  C CB  A SER A 1 60  ? -16.620 -19.904 -34.131 0.25 16.55 ? 66  SER B CB  1 
ATOM   511  C CB  B SER A 1 60  ? -16.580 -19.953 -34.070 0.25 16.77 ? 66  SER B CB  1 
ATOM   512  O OG  A SER A 1 60  ? -17.941 -19.699 -34.672 0.25 17.26 ? 66  SER B OG  1 
ATOM   513  O OG  B SER A 1 60  ? -15.580 -19.181 -34.691 0.25 18.12 ? 66  SER B OG  1 
ATOM   514  N N   A SER A 1 61  ? -14.594 -19.481 -31.223 0.25 15.19 ? 67  SER B N   1 
ATOM   515  N N   B SER A 1 61  ? -14.689 -19.505 -31.073 0.25 16.62 ? 67  SER B N   1 
ATOM   516  C CA  A SER A 1 61  ? -13.401 -19.944 -30.472 0.25 15.98 ? 67  SER B CA  1 
ATOM   517  C CA  B SER A 1 61  ? -13.416 -19.925 -30.455 0.25 18.05 ? 67  SER B CA  1 
ATOM   518  C C   A SER A 1 61  ? -13.067 -18.960 -29.347 0.25 16.77 ? 67  SER B C   1 
ATOM   519  C C   B SER A 1 61  ? -12.998 -18.916 -29.388 0.25 17.90 ? 67  SER B C   1 
ATOM   520  O O   A SER A 1 61  ? -13.624 -17.852 -29.350 0.25 16.38 ? 67  SER B O   1 
ATOM   521  O O   B SER A 1 61  ? -13.410 -17.742 -29.487 0.25 17.23 ? 67  SER B O   1 
ATOM   522  C CB  A SER A 1 61  ? -12.226 -20.075 -31.417 0.25 15.91 ? 67  SER B CB  1 
ATOM   523  C CB  B SER A 1 61  ? -12.360 -20.041 -31.525 0.25 19.32 ? 67  SER B CB  1 
ATOM   524  O OG  A SER A 1 61  ? -11.766 -18.800 -31.827 0.25 15.94 ? 67  SER B OG  1 
ATOM   525  O OG  B SER A 1 61  ? -11.143 -20.480 -30.957 0.25 22.94 ? 67  SER B OG  1 
ATOM   526  N N   . GLY A 1 62  ? -12.167 -19.351 -28.444 1.00 17.74 ? 68  GLY B N   1 
ATOM   527  C CA  . GLY A 1 62  ? -11.550 -18.402 -27.502 1.00 19.53 ? 68  GLY B CA  1 
ATOM   528  C C   . GLY A 1 62  ? -12.417 -18.058 -26.296 1.00 15.86 ? 68  GLY B C   1 
ATOM   529  O O   . GLY A 1 62  ? -13.430 -18.728 -26.030 1.00 17.39 ? 68  GLY B O   1 
ATOM   530  N N   . LYS A 1 63  ? -11.885 -17.096 -25.583 1.00 15.83 ? 69  LYS B N   1 
ATOM   531  C CA  . LYS A 1 63  ? -12.456 -16.592 -24.334 1.00 16.55 ? 69  LYS B CA  1 
ATOM   532  C C   . LYS A 1 63  ? -12.890 -15.161 -24.626 1.00 16.16 ? 69  LYS B C   1 
ATOM   533  O O   . LYS A 1 63  ? -12.106 -14.343 -25.124 1.00 17.82 ? 69  LYS B O   1 
ATOM   534  C CB  . LYS A 1 63  ? -11.427 -16.721 -23.221 1.00 18.26 ? 69  LYS B CB  1 
ATOM   535  C CG  . LYS A 1 63  ? -11.052 -18.145 -22.826 1.00 18.50 ? 69  LYS B CG  1 
ATOM   536  C CD  . LYS A 1 63  ? -9.889  -18.210 -21.769 1.00 20.42 ? 69  LYS B CD  1 
ATOM   537  C CE  . LYS A 1 63  ? -9.545  -19.622 -21.350 1.00 23.71 ? 69  LYS B CE  1 
ATOM   538  N NZ  . LYS A 1 63  ? -8.522  -19.611 -20.285 1.00 26.30 ? 69  LYS B NZ  1 
ATOM   539  N N   . MET A 1 64  ? -14.080 -14.802 -24.178 1.00 14.94 ? 70  MET B N   1 
ATOM   540  C CA  . MET A 1 64  ? -14.716 -13.480 -24.381 1.00 14.95 ? 70  MET B CA  1 
ATOM   541  C C   . MET A 1 64  ? -15.383 -13.020 -23.092 1.00 13.99 ? 70  MET B C   1 
ATOM   542  O O   . MET A 1 64  ? -15.967 -13.821 -22.379 1.00 14.99 ? 70  MET B O   1 
ATOM   543  C CB  . MET A 1 64  ? -15.825 -13.547 -25.412 1.00 15.11 ? 70  MET B CB  1 
ATOM   544  C CG  . MET A 1 64  ? -15.382 -13.731 -26.850 1.00 15.98 ? 70  MET B CG  1 
ATOM   545  S SD  . MET A 1 64  ? -14.636 -15.322 -27.372 1.00 19.04 ? 70  MET B SD  1 
ATOM   546  C CE  . MET A 1 64  ? -15.842 -16.519 -26.880 1.00 17.23 ? 70  MET B CE  1 
ATOM   547  N N   . TYR A 1 65  ? -15.347 -11.743 -22.817 1.00 14.05 ? 71  TYR B N   1 
ATOM   548  C CA  . TYR A 1 65  ? -15.954 -11.174 -21.590 1.00 14.57 ? 71  TYR B CA  1 
ATOM   549  C C   . TYR A 1 65  ? -16.584 -9.846  -21.972 1.00 15.21 ? 71  TYR B C   1 
ATOM   550  O O   . TYR A 1 65  ? -15.947 -9.000  -22.678 1.00 15.22 ? 71  TYR B O   1 
ATOM   551  C CB  . TYR A 1 65  ? -14.913 -11.018 -20.485 1.00 16.01 ? 71  TYR B CB  1 
ATOM   552  C CG  . TYR A 1 65  ? -15.404 -10.396 -19.213 1.00 14.81 ? 71  TYR B CG  1 
ATOM   553  C CD1 . TYR A 1 65  ? -16.165 -11.130 -18.316 1.00 14.61 ? 71  TYR B CD1 1 
ATOM   554  C CD2 . TYR A 1 65  ? -15.233 -9.026  -18.960 1.00 16.05 ? 71  TYR B CD2 1 
ATOM   555  C CE1 . TYR A 1 65  ? -16.636 -10.568 -17.133 1.00 16.47 ? 71  TYR B CE1 1 
ATOM   556  C CE2 . TYR A 1 65  ? -15.753 -8.443  -17.804 1.00 14.80 ? 71  TYR B CE2 1 
ATOM   557  C CZ  . TYR A 1 65  ? -16.434 -9.212  -16.891 1.00 15.47 ? 71  TYR B CZ  1 
ATOM   558  O OH  . TYR A 1 65  ? -16.952 -8.651  -15.755 1.00 17.22 ? 71  TYR B OH  1 
ATOM   559  N N   . TRP A 1 66  ? -17.777 -9.544  -21.464 1.00 12.88 ? 72  TRP B N   1 
ATOM   560  C CA  . TRP A 1 66  ? -18.362 -8.185  -21.573 1.00 13.26 ? 72  TRP B CA  1 
ATOM   561  C C   . TRP A 1 66  ? -19.245 -7.938  -20.335 1.00 13.80 ? 72  TRP B C   1 
ATOM   562  O O   . TRP A 1 66  ? -19.610 -8.869  -19.596 1.00 13.85 ? 72  TRP B O   1 
ATOM   563  C CB  . TRP A 1 66  ? -19.110 -7.959  -22.904 1.00 12.73 ? 72  TRP B CB  1 
ATOM   564  C CG  . TRP A 1 66  ? -20.258 -8.882  -23.173 1.00 12.85 ? 72  TRP B CG  1 
ATOM   565  C CD1 . TRP A 1 66  ? -21.590 -8.599  -22.963 1.00 12.43 ? 72  TRP B CD1 1 
ATOM   566  C CD2 . TRP A 1 66  ? -20.237 -10.183 -23.746 1.00 13.47 ? 72  TRP B CD2 1 
ATOM   567  N NE1 . TRP A 1 66  ? -22.380 -9.655  -23.367 1.00 12.46 ? 72  TRP B NE1 1 
ATOM   568  C CE2 . TRP A 1 66  ? -21.557 -10.648 -23.830 1.00 13.47 ? 72  TRP B CE2 1 
ATOM   569  C CE3 . TRP A 1 66  ? -19.215 -11.034 -24.176 1.00 15.50 ? 72  TRP B CE3 1 
ATOM   570  C CZ2 . TRP A 1 66  ? -21.907 -11.882 -24.332 1.00 14.05 ? 72  TRP B CZ2 1 
ATOM   571  C CZ3 . TRP A 1 66  ? -19.545 -12.258 -24.710 1.00 17.01 ? 72  TRP B CZ3 1 
ATOM   572  C CH2 . TRP A 1 66  ? -20.870 -12.701 -24.745 1.00 15.49 ? 72  TRP B CH2 1 
ATOM   573  N N   . GLU A 1 67  ? -19.686 -6.687  -20.171 1.00 13.54 ? 73  GLU B N   1 
ATOM   574  C CA  . GLU A 1 67  ? -20.492 -6.219  -19.023 1.00 12.67 ? 73  GLU B CA  1 
ATOM   575  C C   . GLU A 1 67  ? -21.703 -5.447  -19.509 1.00 12.65 ? 73  GLU B C   1 
ATOM   576  O O   . GLU A 1 67  ? -21.614 -4.739  -20.514 1.00 13.59 ? 73  GLU B O   1 
ATOM   577  C CB  . GLU A 1 67  ? -19.647 -5.370  -18.071 1.00 13.93 ? 73  GLU B CB  1 
ATOM   578  C CG  . GLU A 1 67  ? -18.597 -6.225  -17.341 1.00 16.21 ? 73  GLU B CG  1 
ATOM   579  C CD  . GLU A 1 67  ? -17.712 -5.461  -16.378 1.00 21.01 ? 73  GLU B CD  1 
ATOM   580  O OE1 . GLU A 1 67  ? -17.870 -4.206  -16.307 1.00 25.47 ? 73  GLU B OE1 1 
ATOM   581  O OE2 . GLU A 1 67  ? -16.886 -6.132  -15.644 1.00 19.86 ? 73  GLU B OE2 1 
ATOM   582  N N   . VAL A 1 68  ? -22.803 -5.631  -18.801 1.00 12.88 ? 74  VAL B N   1 
ATOM   583  C CA  . VAL A 1 68  ? -24.089 -4.998  -19.155 1.00 12.44 ? 74  VAL B CA  1 
ATOM   584  C C   . VAL A 1 68  ? -24.653 -4.322  -17.908 1.00 12.62 ? 74  VAL B C   1 
ATOM   585  O O   . VAL A 1 68  ? -24.763 -4.947  -16.846 1.00 13.66 ? 74  VAL B O   1 
ATOM   586  C CB  . VAL A 1 68  ? -25.115 -6.005  -19.711 1.00 12.59 ? 74  VAL B CB  1 
ATOM   587  C CG1 . VAL A 1 68  ? -26.362 -5.253  -20.164 1.00 13.88 ? 74  VAL B CG1 1 
ATOM   588  C CG2 . VAL A 1 68  ? -24.514 -6.885  -20.815 1.00 13.94 ? 74  VAL B CG2 1 
ATOM   589  N N   . ASP A 1 69  ? -25.098 -3.072  -18.070 1.00 13.36 ? 75  ASP B N   1 
ATOM   590  C CA  . ASP A 1 69  ? -25.769 -2.275  -17.020 1.00 15.04 ? 75  ASP B CA  1 
ATOM   591  C C   . ASP A 1 69  ? -27.257 -2.575  -17.052 1.00 13.27 ? 75  ASP B C   1 
ATOM   592  O O   . ASP A 1 69  ? -27.881 -2.456  -18.173 1.00 13.91 ? 75  ASP B O   1 
ATOM   593  C CB  . ASP A 1 69  ? -25.472 -0.775  -17.186 1.00 16.58 ? 75  ASP B CB  1 
ATOM   594  C CG  . ASP A 1 69  ? -25.851 0.030   -15.945 1.00 18.57 ? 75  ASP B CG  1 
ATOM   595  O OD1 . ASP A 1 69  ? -26.999 0.029   -15.580 1.00 17.35 ? 75  ASP B OD1 1 
ATOM   596  O OD2 . ASP A 1 69  ? -24.925 0.521   -15.239 1.00 24.81 ? 75  ASP B OD2 1 
ATOM   597  N N   . VAL A 1 70  ? -27.826 -3.010  -15.924 1.00 13.19 ? 76  VAL B N   1 
ATOM   598  C CA  . VAL A 1 70  ? -29.273 -3.323  -15.744 1.00 13.94 ? 76  VAL B CA  1 
ATOM   599  C C   . VAL A 1 70  ? -29.950 -2.413  -14.696 1.00 14.22 ? 76  VAL B C   1 
ATOM   600  O O   . VAL A 1 70  ? -30.990 -2.748  -14.189 1.00 14.51 ? 76  VAL B O   1 
ATOM   601  C CB  . VAL A 1 70  ? -29.438 -4.827  -15.407 1.00 12.96 ? 76  VAL B CB  1 
ATOM   602  C CG1 . VAL A 1 70  ? -28.875 -5.728  -16.531 1.00 13.05 ? 76  VAL B CG1 1 
ATOM   603  C CG2 . VAL A 1 70  ? -28.800 -5.227  -14.089 1.00 14.34 ? 76  VAL B CG2 1 
ATOM   604  N N   . THR A 1 71  ? -29.288 -1.325  -14.334 1.00 14.29 ? 77  THR B N   1 
ATOM   605  C CA  . THR A 1 71  ? -29.784 -0.371  -13.302 1.00 15.43 ? 77  THR B CA  1 
ATOM   606  C C   . THR A 1 71  ? -31.271 -0.083  -13.508 1.00 16.04 ? 77  THR B C   1 
ATOM   607  O O   . THR A 1 71  ? -31.723 0.282   -14.630 1.00 15.56 ? 77  THR B O   1 
ATOM   608  C CB  . THR A 1 71  ? -28.997 0.937   -13.333 1.00 16.66 ? 77  THR B CB  1 
ATOM   609  O OG1 . THR A 1 71  ? -27.616 0.681   -13.040 1.00 19.41 ? 77  THR B OG1 1 
ATOM   610  C CG2 . THR A 1 71  ? -29.599 1.879   -12.314 1.00 20.33 ? 77  THR B CG2 1 
ATOM   611  N N   . GLN A 1 72  ? -31.995 -0.256  -12.407 1.00 18.66 ? 78  GLN B N   1 
ATOM   612  C CA  . GLN A 1 72  ? -33.436 0.065   -12.163 1.00 22.70 ? 78  GLN B CA  1 
ATOM   613  C C   . GLN A 1 72  ? -34.369 -0.637  -13.143 1.00 21.84 ? 78  GLN B C   1 
ATOM   614  O O   . GLN A 1 72  ? -35.563 -0.280  -13.208 1.00 27.22 ? 78  GLN B O   1 
ATOM   615  C CB  . GLN A 1 72  ? -33.627 1.572   -12.082 1.00 29.70 ? 78  GLN B CB  1 
ATOM   616  C CG  . GLN A 1 72  ? -33.460 2.301   -13.402 1.00 34.91 ? 78  GLN B CG  1 
ATOM   617  C CD  . GLN A 1 72  ? -34.656 3.156   -13.741 1.00 36.66 ? 78  GLN B CD  1 
ATOM   618  O OE1 . GLN A 1 72  ? -34.539 4.143   -14.474 1.00 35.87 ? 78  GLN B OE1 1 
ATOM   619  N NE2 . GLN A 1 72  ? -35.822 2.726   -13.268 1.00 39.23 ? 78  GLN B NE2 1 
ATOM   620  N N   . LYS A 1 73  ? -33.955 -1.715  -13.783 1.00 15.72 ? 79  LYS B N   1 
ATOM   621  C CA  . LYS A 1 73  ? -34.908 -2.578  -14.488 1.00 14.14 ? 79  LYS B CA  1 
ATOM   622  C C   . LYS A 1 73  ? -35.597 -3.596  -13.581 1.00 13.61 ? 79  LYS B C   1 
ATOM   623  O O   . LYS A 1 73  ? -34.961 -4.159  -12.625 1.00 15.79 ? 79  LYS B O   1 
ATOM   624  C CB  . LYS A 1 73  ? -34.176 -3.269  -15.644 1.00 15.31 ? 79  LYS B CB  1 
ATOM   625  C CG  . LYS A 1 73  ? -33.739 -2.256  -16.719 1.00 14.71 ? 79  LYS B CG  1 
ATOM   626  C CD  . LYS A 1 73  ? -33.226 -2.864  -18.013 1.00 15.04 ? 79  LYS B CD  1 
ATOM   627  C CE  . LYS A 1 73  ? -34.274 -3.630  -18.794 1.00 13.66 ? 79  LYS B CE  1 
ATOM   628  N NZ  . LYS A 1 73  ? -35.486 -2.816  -19.118 1.00 12.59 ? 79  LYS B NZ  1 
ATOM   629  N N   . GLU A 1 74  ? -36.825 -3.901  -13.900 1.00 12.74 ? 80  GLU B N   1 
ATOM   630  C CA  . GLU A 1 74  ? -37.623 -4.926  -13.214 1.00 12.39 ? 80  GLU B CA  1 
ATOM   631  C C   . GLU A 1 74  ? -37.554 -6.285  -13.908 1.00 13.16 ? 80  GLU B C   1 
ATOM   632  O O   . GLU A 1 74  ? -37.968 -7.278  -13.327 1.00 13.74 ? 80  GLU B O   1 
ATOM   633  C CB  . GLU A 1 74  ? -39.115 -4.515  -13.184 1.00 13.44 ? 80  GLU B CB  1 
ATOM   634  C CG  . GLU A 1 74  ? -39.403 -3.233  -12.428 1.00 16.54 ? 80  GLU B CG  1 
ATOM   635  C CD  . GLU A 1 74  ? -40.880 -2.823  -12.535 1.00 16.06 ? 80  GLU B CD  1 
ATOM   636  O OE1 . GLU A 1 74  ? -41.274 -1.999  -11.728 1.00 20.73 ? 80  GLU B OE1 1 
ATOM   637  O OE2 . GLU A 1 74  ? -41.619 -3.368  -13.418 1.00 18.31 ? 80  GLU B OE2 1 
ATOM   638  N N   . ALA A 1 75  ? -37.201 -6.325  -15.193 1.00 12.50 ? 81  ALA B N   1 
ATOM   639  C CA  . ALA A 1 75  ? -37.222 -7.578  -15.971 1.00 12.21 ? 81  ALA B CA  1 
ATOM   640  C C   . ALA A 1 75  ? -36.211 -7.435  -17.106 1.00 13.44 ? 81  ALA B C   1 
ATOM   641  O O   . ALA A 1 75  ? -36.107 -6.364  -17.735 1.00 12.40 ? 81  ALA B O   1 
ATOM   642  C CB  . ALA A 1 75  ? -38.579 -7.910  -16.538 1.00 13.45 ? 81  ALA B CB  1 
ATOM   643  N N   . TRP A 1 76  ? -35.487 -8.520  -17.388 1.00 12.05 ? 82  TRP B N   1 
ATOM   644  C CA  . TRP A 1 76  ? -34.494 -8.608  -18.512 1.00 11.63 ? 82  TRP B CA  1 
ATOM   645  C C   . TRP A 1 76  ? -33.993 -10.035 -18.583 1.00 12.64 ? 82  TRP B C   1 
ATOM   646  O O   . TRP A 1 76  ? -34.125 -10.789 -17.620 1.00 12.34 ? 82  TRP B O   1 
ATOM   647  C CB  . TRP A 1 76  ? -33.329 -7.637  -18.295 1.00 12.33 ? 82  TRP B CB  1 
ATOM   648  C CG  . TRP A 1 76  ? -32.678 -7.688  -16.958 1.00 11.76 ? 82  TRP B CG  1 
ATOM   649  C CD1 . TRP A 1 76  ? -32.889 -6.841  -15.924 1.00 13.43 ? 82  TRP B CD1 1 
ATOM   650  C CD2 . TRP A 1 76  ? -31.721 -8.632  -16.423 1.00 12.01 ? 82  TRP B CD2 1 
ATOM   651  N NE1 . TRP A 1 76  ? -32.143 -7.121  -14.836 1.00 12.86 ? 82  TRP B NE1 1 
ATOM   652  C CE2 . TRP A 1 76  ? -31.413 -8.261  -15.107 1.00 13.73 ? 82  TRP B CE2 1 
ATOM   653  C CE3 . TRP A 1 76  ? -31.083 -9.783  -16.954 1.00 13.07 ? 82  TRP B CE3 1 
ATOM   654  C CZ2 . TRP A 1 76  ? -30.519 -8.933  -14.310 1.00 12.98 ? 82  TRP B CZ2 1 
ATOM   655  C CZ3 . TRP A 1 76  ? -30.210 -10.487 -16.152 1.00 13.15 ? 82  TRP B CZ3 1 
ATOM   656  C CH2 . TRP A 1 76  ? -29.930 -10.048 -14.848 1.00 14.08 ? 82  TRP B CH2 1 
ATOM   657  N N   . ASP A 1 77  ? -33.503 -10.396 -19.749 1.00 11.64 ? 83  ASP B N   1 
ATOM   658  C CA  . ASP A 1 77  ? -32.723 -11.650 -19.952 1.00 12.00 ? 83  ASP B CA  1 
ATOM   659  C C   . ASP A 1 77  ? -31.367 -11.267 -20.540 1.00 11.46 ? 83  ASP B C   1 
ATOM   660  O O   . ASP A 1 77  ? -31.322 -10.385 -21.421 1.00 12.07 ? 83  ASP B O   1 
ATOM   661  C CB  . ASP A 1 77  ? -33.397 -12.621 -20.906 1.00 13.48 ? 83  ASP B CB  1 
ATOM   662  C CG  . ASP A 1 77  ? -34.885 -12.858 -20.783 1.00 16.52 ? 83  ASP B CG  1 
ATOM   663  O OD1 . ASP A 1 77  ? -35.353 -12.799 -19.691 1.00 19.20 ? 83  ASP B OD1 1 
ATOM   664  O OD2 . ASP A 1 77  ? -35.540 -13.086 -21.836 1.00 18.21 ? 83  ASP B OD2 1 
ATOM   665  N N   . LEU A 1 78  ? -30.291 -11.966 -20.184 1.00 10.75 ? 84  LEU B N   1 
ATOM   666  C CA  . LEU A 1 78  ? -28.936 -11.723 -20.710 1.00 10.91 ? 84  LEU B CA  1 
ATOM   667  C C   . LEU A 1 78  ? -28.234 -13.062 -20.894 1.00 10.84 ? 84  LEU B C   1 
ATOM   668  O O   . LEU A 1 78  ? -28.365 -13.971 -20.063 1.00 10.87 ? 84  LEU B O   1 
ATOM   669  C CB  . LEU A 1 78  ? -28.106 -10.863 -19.774 1.00 11.61 ? 84  LEU B CB  1 
ATOM   670  C CG  . LEU A 1 78  ? -28.490 -9.398  -19.621 1.00 12.79 ? 84  LEU B CG  1 
ATOM   671  C CD1 . LEU A 1 78  ? -27.640 -8.750  -18.522 1.00 13.41 ? 84  LEU B CD1 1 
ATOM   672  C CD2 . LEU A 1 78  ? -28.312 -8.688  -20.949 1.00 13.27 ? 84  LEU B CD2 1 
ATOM   673  N N   . GLY A 1 79  ? -27.406 -13.113 -21.942 1.00 10.00 ? 85  GLY B N   1 
ATOM   674  C CA  . GLY A 1 79  ? -26.398 -14.188 -22.058 1.00 10.55 ? 85  GLY B CA  1 
ATOM   675  C C   . GLY A 1 79  ? -25.896 -14.272 -23.470 1.00 10.05 ? 85  GLY B C   1 
ATOM   676  O O   . GLY A 1 79  ? -25.506 -13.271 -24.060 1.00 10.64 ? 85  GLY B O   1 
ATOM   677  N N   A VAL A 1 80  ? -25.863 -15.508 -23.977 0.25 9.91  ? 86  VAL B N   1 
ATOM   678  N N   B VAL A 1 80  ? -25.892 -15.482 -24.011 0.25 10.97 ? 86  VAL B N   1 
ATOM   679  C CA  A VAL A 1 80  ? -25.459 -15.837 -25.372 0.25 9.96  ? 86  VAL B CA  1 
ATOM   680  C CA  B VAL A 1 80  ? -25.358 -15.761 -25.369 0.25 11.74 ? 86  VAL B CA  1 
ATOM   681  C C   A VAL A 1 80  ? -26.450 -16.814 -25.992 0.25 10.09 ? 86  VAL B C   1 
ATOM   682  C C   B VAL A 1 80  ? -26.272 -16.829 -25.985 0.25 11.22 ? 86  VAL B C   1 
ATOM   683  O O   A VAL A 1 80  ? -27.186 -17.561 -25.287 0.25 10.79 ? 86  VAL B O   1 
ATOM   684  O O   B VAL A 1 80  ? -26.827 -17.623 -25.225 0.25 12.16 ? 86  VAL B O   1 
ATOM   685  C CB  A VAL A 1 80  ? -24.039 -16.424 -25.480 0.25 9.92  ? 86  VAL B CB  1 
ATOM   686  C CB  B VAL A 1 80  ? -23.877 -16.189 -25.272 0.25 13.35 ? 86  VAL B CB  1 
ATOM   687  C CG1 A VAL A 1 80  ? -23.034 -15.334 -25.203 0.25 9.40  ? 86  VAL B CG1 1 
ATOM   688  C CG1 B VAL A 1 80  ? -23.746 -17.605 -24.723 0.25 13.26 ? 86  VAL B CG1 1 
ATOM   689  C CG2 A VAL A 1 80  ? -23.833 -17.605 -24.536 0.25 9.59  ? 86  VAL B CG2 1 
ATOM   690  C CG2 B VAL A 1 80  ? -23.145 -16.031 -26.587 0.25 14.46 ? 86  VAL B CG2 1 
ATOM   691  N N   . CYS A 1 81  ? -26.429 -16.851 -27.315 1.00 11.36 ? 87  CYS B N   1 
ATOM   692  C CA  . CYS A 1 81  ? -27.236 -17.850 -28.003 1.00 11.39 ? 87  CYS B CA  1 
ATOM   693  C C   . CYS A 1 81  ? -26.553 -18.270 -29.303 1.00 11.32 ? 87  CYS B C   1 
ATOM   694  O O   . CYS A 1 81  ? -25.687 -17.546 -29.835 1.00 11.47 ? 87  CYS B O   1 
ATOM   695  C CB  . CYS A 1 81  ? -28.644 -17.330 -28.289 1.00 12.90 ? 87  CYS B CB  1 
ATOM   696  S SG  . CYS A 1 81  ? -28.732 -15.913 -29.415 1.00 13.31 ? 87  CYS B SG  1 
ATOM   697  N N   A ARG A 1 82  ? -27.007 -19.387 -29.831 0.25 11.84 ? 88  ARG B N   1 
ATOM   698  N N   B ARG A 1 82  ? -26.991 -19.401 -29.829 0.25 11.77 ? 88  ARG B N   1 
ATOM   699  C CA  A ARG A 1 82  ? -26.580 -19.799 -31.190 0.25 12.58 ? 88  ARG B CA  1 
ATOM   700  C CA  B ARG A 1 82  ? -26.527 -19.886 -31.159 0.25 12.38 ? 88  ARG B CA  1 
ATOM   701  C C   A ARG A 1 82  ? -26.992 -18.747 -32.217 0.25 12.29 ? 88  ARG B C   1 
ATOM   702  C C   B ARG A 1 82  ? -27.052 -18.938 -32.263 0.25 12.44 ? 88  ARG B C   1 
ATOM   703  O O   A ARG A 1 82  ? -28.033 -18.100 -32.091 0.25 11.58 ? 88  ARG B O   1 
ATOM   704  O O   B ARG A 1 82  ? -28.251 -18.523 -32.186 0.25 12.46 ? 88  ARG B O   1 
ATOM   705  C CB  A ARG A 1 82  ? -27.245 -21.112 -31.573 0.25 13.40 ? 88  ARG B CB  1 
ATOM   706  C CB  B ARG A 1 82  ? -27.014 -21.329 -31.332 0.25 13.02 ? 88  ARG B CB  1 
ATOM   707  C CG  A ARG A 1 82  ? -26.858 -22.220 -30.620 0.25 14.19 ? 88  ARG B CG  1 
ATOM   708  C CG  B ARG A 1 82  ? -26.354 -22.081 -32.480 0.25 13.28 ? 88  ARG B CG  1 
ATOM   709  C CD  A ARG A 1 82  ? -27.184 -23.580 -31.187 0.25 15.97 ? 88  ARG B CD  1 
ATOM   710  C CD  B ARG A 1 82  ? -26.940 -23.453 -32.719 0.25 13.51 ? 88  ARG B CD  1 
ATOM   711  N NE  A ARG A 1 82  ? -26.918 -24.623 -30.197 0.25 14.89 ? 88  ARG B NE  1 
ATOM   712  N NE  B ARG A 1 82  ? -26.833 -24.280 -31.550 0.25 13.75 ? 88  ARG B NE  1 
ATOM   713  C CZ  A ARG A 1 82  ? -27.790 -25.549 -29.830 0.25 15.15 ? 88  ARG B CZ  1 
ATOM   714  C CZ  B ARG A 1 82  ? -27.858 -24.843 -30.898 0.25 13.16 ? 88  ARG B CZ  1 
ATOM   715  N NH1 A ARG A 1 82  ? -29.000 -25.585 -30.364 0.25 14.47 ? 88  ARG B NH1 1 
ATOM   716  N NH1 B ARG A 1 82  ? -29.086 -24.761 -31.363 0.25 15.10 ? 88  ARG B NH1 1 
ATOM   717  N NH2 A ARG A 1 82  ? -27.430 -26.452 -28.939 0.25 16.87 ? 88  ARG B NH2 1 
ATOM   718  N NH2 B ARG A 1 82  ? -27.624 -25.536 -29.800 0.25 13.02 ? 88  ARG B NH2 1 
ATOM   719  N N   . ASP A 1 83  ? -26.228 -18.628 -33.284 1.00 13.60 ? 89  ASP B N   1 
ATOM   720  C CA  . ASP A 1 83  ? -26.659 -17.725 -34.375 1.00 14.87 ? 89  ASP B CA  1 
ATOM   721  C C   . ASP A 1 83  ? -27.936 -18.273 -35.008 1.00 16.46 ? 89  ASP B C   1 
ATOM   722  O O   . ASP A 1 83  ? -28.654 -17.442 -35.608 1.00 19.04 ? 89  ASP B O   1 
ATOM   723  C CB  . ASP A 1 83  ? -25.529 -17.615 -35.403 1.00 16.90 ? 89  ASP B CB  1 
ATOM   724  C CG  . ASP A 1 83  ? -25.106 -18.874 -36.105 1.00 20.77 ? 89  ASP B CG  1 
ATOM   725  O OD1 . ASP A 1 83  ? -25.597 -19.998 -35.753 1.00 24.58 ? 89  ASP B OD1 1 
ATOM   726  O OD2 . ASP A 1 83  ? -24.316 -18.714 -37.072 1.00 23.85 ? 89  ASP B OD2 1 
ATOM   727  N N   . SER A 1 84  ? -28.239 -19.562 -34.942 1.00 14.52 ? 90  SER B N   1 
ATOM   728  C CA  . SER A 1 84  ? -29.370 -20.216 -35.631 1.00 16.80 ? 90  SER B CA  1 
ATOM   729  C C   . SER A 1 84  ? -30.658 -20.288 -34.777 1.00 14.80 ? 90  SER B C   1 
ATOM   730  O O   . SER A 1 84  ? -31.567 -21.015 -35.140 1.00 16.55 ? 90  SER B O   1 
ATOM   731  C CB  . SER A 1 84  ? -28.913 -21.602 -36.101 1.00 17.99 ? 90  SER B CB  1 
ATOM   732  O OG  . SER A 1 84  ? -28.471 -22.351 -35.050 1.00 20.36 ? 90  SER B OG  1 
ATOM   733  N N   . VAL A 1 85  ? -30.696 -19.644 -33.603 1.00 13.89 ? 91  VAL B N   1 
ATOM   734  C CA  . VAL A 1 85  ? -31.933 -19.718 -32.778 1.00 14.08 ? 91  VAL B CA  1 
ATOM   735  C C   . VAL A 1 85  ? -33.166 -19.216 -33.567 1.00 13.77 ? 91  VAL B C   1 
ATOM   736  O O   . VAL A 1 85  ? -33.069 -18.279 -34.406 1.00 14.72 ? 91  VAL B O   1 
ATOM   737  C CB  . VAL A 1 85  ? -31.840 -18.950 -31.430 1.00 14.07 ? 91  VAL B CB  1 
ATOM   738  C CG1 . VAL A 1 85  ? -30.827 -19.604 -30.511 1.00 13.49 ? 91  VAL B CG1 1 
ATOM   739  C CG2 . VAL A 1 85  ? -31.612 -17.476 -31.565 1.00 13.86 ? 91  VAL B CG2 1 
ATOM   740  N N   . GLN A 1 86  ? -34.284 -19.838 -33.234 1.00 15.49 ? 92  GLN B N   1 
ATOM   741  C CA  . GLN A 1 86  ? -35.632 -19.398 -33.726 1.00 16.78 ? 92  GLN B CA  1 
ATOM   742  C C   . GLN A 1 86  ? -35.859 -17.908 -33.410 1.00 15.58 ? 92  GLN B C   1 
ATOM   743  O O   . GLN A 1 86  ? -35.547 -17.464 -32.313 1.00 16.24 ? 92  GLN B O   1 
ATOM   744  C CB  . GLN A 1 86  ? -36.662 -20.289 -33.047 1.00 18.71 ? 92  GLN B CB  1 
ATOM   745  C CG  . GLN A 1 86  ? -38.139 -19.945 -33.245 1.00 22.91 ? 92  GLN B CG  1 
ATOM   746  C CD  . GLN A 1 86  ? -39.046 -20.805 -32.373 1.00 25.35 ? 92  GLN B CD  1 
ATOM   747  O OE1 . GLN A 1 86  ? -38.639 -21.815 -31.754 1.00 28.48 ? 92  GLN B OE1 1 
ATOM   748  N NE2 . GLN A 1 86  ? -40.305 -20.404 -32.220 1.00 26.77 ? 92  GLN B NE2 1 
ATOM   749  N N   . ARG A 1 87  ? -36.421 -17.169 -34.363 1.00 14.91 ? 93  ARG B N   1 
ATOM   750  C CA  . ARG A 1 87  ? -36.712 -15.712 -34.243 1.00 14.53 ? 93  ARG B CA  1 
ATOM   751  C C   . ARG A 1 87  ? -38.209 -15.473 -34.113 1.00 15.90 ? 93  ARG B C   1 
ATOM   752  O O   . ARG A 1 87  ? -38.573 -14.478 -33.485 1.00 15.52 ? 93  ARG B O   1 
ATOM   753  C CB  . ARG A 1 87  ? -36.169 -14.905 -35.403 1.00 15.77 ? 93  ARG B CB  1 
ATOM   754  C CG  . ARG A 1 87  ? -34.703 -15.160 -35.734 1.00 14.70 ? 93  ARG B CG  1 
ATOM   755  C CD  . ARG A 1 87  ? -33.773 -14.889 -34.533 1.00 16.03 ? 93  ARG B CD  1 
ATOM   756  N NE  . ARG A 1 87  ? -32.406 -15.348 -34.842 1.00 16.49 ? 93  ARG B NE  1 
ATOM   757  C CZ  . ARG A 1 87  ? -31.491 -14.642 -35.430 1.00 16.83 ? 93  ARG B CZ  1 
ATOM   758  N NH1 . ARG A 1 87  ? -31.738 -13.420 -35.824 1.00 18.60 ? 93  ARG B NH1 1 
ATOM   759  N NH2 . ARG A 1 87  ? -30.341 -15.201 -35.725 1.00 18.24 ? 93  ARG B NH2 1 
ATOM   760  N N   . LYS A 1 88  ? -39.055 -16.330 -34.677 1.00 15.67 ? 94  LYS B N   1 
ATOM   761  C CA  . LYS A 1 88  ? -40.508 -16.046 -34.791 1.00 15.35 ? 94  LYS B CA  1 
ATOM   762  C C   . LYS A 1 88  ? -41.326 -16.936 -33.886 1.00 17.25 ? 94  LYS B C   1 
ATOM   763  O O   . LYS A 1 88  ? -40.979 -18.148 -33.745 1.00 19.62 ? 94  LYS B O   1 
ATOM   764  C CB  . LYS A 1 88  ? -40.958 -16.240 -36.239 1.00 16.70 ? 94  LYS B CB  1 
ATOM   765  C CG  . LYS A 1 88  ? -40.123 -15.521 -37.265 1.00 17.94 ? 94  LYS B CG  1 
ATOM   766  C CD  . LYS A 1 88  ? -40.078 -14.016 -37.066 1.00 19.94 ? 94  LYS B CD  1 
ATOM   767  C CE  . LYS A 1 88  ? -39.343 -13.328 -38.176 1.00 19.68 ? 94  LYS B CE  1 
ATOM   768  N NZ  . LYS A 1 88  ? -39.217 -11.854 -37.968 1.00 19.94 ? 94  LYS B NZ  1 
ATOM   769  N N   . GLY A 1 89  ? -42.400 -16.422 -33.328 1.00 17.44 ? 95  GLY B N   1 
ATOM   770  C CA  . GLY A 1 89  ? -43.257 -17.244 -32.487 1.00 17.96 ? 95  GLY B CA  1 
ATOM   771  C C   . GLY A 1 89  ? -42.773 -17.387 -31.071 1.00 19.27 ? 95  GLY B C   1 
ATOM   772  O O   . GLY A 1 89  ? -41.806 -16.647 -30.661 1.00 19.39 ? 95  GLY B O   1 
ATOM   773  N N   . GLN A 1 90  ? -43.421 -18.294 -30.348 1.00 19.36 ? 96  GLN B N   1 
ATOM   774  C CA  . GLN A 1 90  ? -43.164 -18.517 -28.923 1.00 22.16 ? 96  GLN B CA  1 
ATOM   775  C C   . GLN A 1 90  ? -42.085 -19.578 -28.754 1.00 19.92 ? 96  GLN B C   1 
ATOM   776  O O   . GLN A 1 90  ? -42.002 -20.493 -29.580 1.00 20.69 ? 96  GLN B O   1 
ATOM   777  C CB  . GLN A 1 90  ? -44.463 -18.898 -28.213 1.00 26.41 ? 96  GLN B CB  1 
ATOM   778  C CG  . GLN A 1 90  ? -45.461 -17.764 -28.231 1.00 32.82 ? 96  GLN B CG  1 
ATOM   779  C CD  . GLN A 1 90  ? -46.816 -18.236 -27.797 1.00 42.95 ? 96  GLN B CD  1 
ATOM   780  O OE1 . GLN A 1 90  ? -47.142 -18.180 -26.612 1.00 52.61 ? 96  GLN B OE1 1 
ATOM   781  N NE2 . GLN A 1 90  ? -47.577 -18.753 -28.755 1.00 47.89 ? 96  GLN B NE2 1 
ATOM   782  N N   . PHE A 1 91  ? -41.225 -19.387 -27.758 1.00 17.69 ? 97  PHE B N   1 
ATOM   783  C CA  . PHE A 1 91  ? -40.186 -20.376 -27.384 1.00 18.60 ? 97  PHE B CA  1 
ATOM   784  C C   . PHE A 1 91  ? -39.687 -20.093 -25.975 1.00 17.15 ? 97  PHE B C   1 
ATOM   785  O O   . PHE A 1 91  ? -39.842 -18.980 -25.450 1.00 18.83 ? 97  PHE B O   1 
ATOM   786  C CB  . PHE A 1 91  ? -39.007 -20.334 -28.362 1.00 17.00 ? 97  PHE B CB  1 
ATOM   787  C CG  . PHE A 1 91  ? -38.381 -18.972 -28.515 1.00 16.15 ? 97  PHE B CG  1 
ATOM   788  C CD1 . PHE A 1 91  ? -37.356 -18.585 -27.662 1.00 17.18 ? 97  PHE B CD1 1 
ATOM   789  C CD2 . PHE A 1 91  ? -38.756 -18.105 -29.524 1.00 17.33 ? 97  PHE B CD2 1 
ATOM   790  C CE1 . PHE A 1 91  ? -36.748 -17.352 -27.817 1.00 15.72 ? 97  PHE B CE1 1 
ATOM   791  C CE2 . PHE A 1 91  ? -38.114 -16.895 -29.705 1.00 16.50 ? 97  PHE B CE2 1 
ATOM   792  C CZ  . PHE A 1 91  ? -37.122 -16.517 -28.832 1.00 16.81 ? 97  PHE B CZ  1 
ATOM   793  N N   A SER A 1 92  ? -39.108 -21.101 -25.323 0.25 17.87 ? 98  SER B N   1 
ATOM   794  N N   B SER A 1 92  ? -39.094 -21.122 -25.368 0.25 16.84 ? 98  SER B N   1 
ATOM   795  C CA  A SER A 1 92  ? -38.485 -20.934 -23.986 0.25 18.27 ? 98  SER B CA  1 
ATOM   796  C CA  B SER A 1 92  ? -38.448 -21.058 -24.037 0.25 16.79 ? 98  SER B CA  1 
ATOM   797  C C   A SER A 1 92  ? -36.969 -20.812 -24.142 0.25 16.54 ? 98  SER B C   1 
ATOM   798  C C   B SER A 1 92  ? -36.955 -20.753 -24.216 0.25 15.55 ? 98  SER B C   1 
ATOM   799  O O   A SER A 1 92  ? -36.369 -21.441 -25.036 0.25 16.63 ? 98  SER B O   1 
ATOM   800  O O   B SER A 1 92  ? -36.357 -21.155 -25.261 0.25 15.13 ? 98  SER B O   1 
ATOM   801  C CB  A SER A 1 92  ? -38.814 -22.059 -23.056 0.25 20.83 ? 98  SER B CB  1 
ATOM   802  C CB  B SER A 1 92  ? -38.652 -22.346 -23.271 0.25 17.27 ? 98  SER B CB  1 
ATOM   803  O OG  A SER A 1 92  ? -38.646 -23.292 -23.723 0.25 24.04 ? 98  SER B OG  1 
ATOM   804  O OG  B SER A 1 92  ? -40.034 -22.525 -22.950 0.25 19.00 ? 98  SER B OG  1 
ATOM   805  N N   . LEU A 1 93  ? -36.372 -20.028 -23.259 1.00 15.36 ? 99  LEU B N   1 
ATOM   806  C CA  . LEU A 1 93  ? -34.914 -19.866 -23.198 1.00 15.92 ? 99  LEU B CA  1 
ATOM   807  C C   . LEU A 1 93  ? -34.347 -21.074 -22.504 1.00 16.13 ? 99  LEU B C   1 
ATOM   808  O O   . LEU A 1 93  ? -34.419 -21.208 -21.309 1.00 18.21 ? 99  LEU B O   1 
ATOM   809  C CB  . LEU A 1 93  ? -34.538 -18.598 -22.450 1.00 16.27 ? 99  LEU B CB  1 
ATOM   810  C CG  . LEU A 1 93  ? -35.017 -17.306 -23.109 1.00 17.56 ? 99  LEU B CG  1 
ATOM   811  C CD1 . LEU A 1 93  ? -34.655 -16.088 -22.266 1.00 19.30 ? 99  LEU B CD1 1 
ATOM   812  C CD2 . LEU A 1 93  ? -34.463 -17.113 -24.501 1.00 19.33 ? 99  LEU B CD2 1 
ATOM   813  N N   . SER A 1 94  ? -33.664 -21.945 -23.243 1.00 15.29 ? 100 SER B N   1 
ATOM   814  C CA  . SER A 1 94  ? -33.041 -23.157 -22.699 1.00 15.11 ? 100 SER B CA  1 
ATOM   815  C C   . SER A 1 94  ? -31.866 -23.540 -23.577 1.00 13.85 ? 100 SER B C   1 
ATOM   816  O O   . SER A 1 94  ? -31.845 -23.200 -24.769 1.00 13.42 ? 100 SER B O   1 
ATOM   817  C CB  . SER A 1 94  ? -33.985 -24.348 -22.681 1.00 16.55 ? 100 SER B CB  1 
ATOM   818  O OG  . SER A 1 94  ? -34.357 -24.668 -24.007 1.00 21.05 ? 100 SER B OG  1 
ATOM   819  N N   . PRO A 1 95  ? -30.913 -24.285 -23.032 1.00 13.26 ? 101 PRO B N   1 
ATOM   820  C CA  . PRO A 1 95  ? -29.822 -24.799 -23.842 1.00 14.58 ? 101 PRO B CA  1 
ATOM   821  C C   . PRO A 1 95  ? -30.311 -25.696 -24.989 1.00 14.61 ? 101 PRO B C   1 
ATOM   822  O O   . PRO A 1 95  ? -29.733 -25.583 -26.098 1.00 15.11 ? 101 PRO B O   1 
ATOM   823  C CB  . PRO A 1 95  ? -28.912 -25.557 -22.856 1.00 15.42 ? 101 PRO B CB  1 
ATOM   824  C CG  . PRO A 1 95  ? -29.206 -24.856 -21.519 1.00 15.67 ? 101 PRO B CG  1 
ATOM   825  C CD  . PRO A 1 95  ? -30.684 -24.559 -21.600 1.00 15.68 ? 101 PRO B CD  1 
ATOM   826  N N   . GLU A 1 96  ? -31.388 -26.446 -24.794 1.00 15.57 ? 102 GLU B N   1 
ATOM   827  C CA  . GLU A 1 96  ? -31.938 -27.275 -25.902 1.00 18.12 ? 102 GLU B CA  1 
ATOM   828  C C   . GLU A 1 96  ? -32.326 -26.381 -27.083 1.00 18.35 ? 102 GLU B C   1 
ATOM   829  O O   . GLU A 1 96  ? -32.252 -26.809 -28.256 1.00 20.04 ? 102 GLU B O   1 
ATOM   830  C CB  . GLU A 1 96  ? -33.129 -28.080 -25.398 1.00 24.38 ? 102 GLU B CB  1 
ATOM   831  C CG  . GLU A 1 96  ? -32.796 -28.934 -24.197 1.00 34.22 ? 102 GLU B CG  1 
ATOM   832  C CD  . GLU A 1 96  ? -33.194 -28.369 -22.835 1.00 41.48 ? 102 GLU B CD  1 
ATOM   833  O OE1 . GLU A 1 96  ? -32.403 -27.552 -22.232 1.00 26.60 ? 102 GLU B OE1 1 
ATOM   834  O OE2 . GLU A 1 96  ? -34.303 -28.775 -22.362 1.00 47.85 ? 102 GLU B OE2 1 
ATOM   835  N N   . ASN A 1 97  ? -32.823 -25.165 -26.842 1.00 15.55 ? 103 ASN B N   1 
ATOM   836  C CA  . ASN A 1 97  ? -33.237 -24.245 -27.916 1.00 15.23 ? 103 ASN B CA  1 
ATOM   837  C C   . ASN A 1 97  ? -32.088 -23.307 -28.319 1.00 14.17 ? 103 ASN B C   1 
ATOM   838  O O   . ASN A 1 97  ? -32.276 -22.464 -29.178 1.00 15.19 ? 103 ASN B O   1 
ATOM   839  C CB  . ASN A 1 97  ? -34.451 -23.407 -27.461 1.00 16.66 ? 103 ASN B CB  1 
ATOM   840  C CG  . ASN A 1 97  ? -35.741 -24.186 -27.421 1.00 19.74 ? 103 ASN B CG  1 
ATOM   841  O OD1 . ASN A 1 97  ? -35.860 -25.270 -28.034 1.00 22.31 ? 103 ASN B OD1 1 
ATOM   842  N ND2 . ASN A 1 97  ? -36.716 -23.690 -26.659 1.00 20.13 ? 103 ASN B ND2 1 
ATOM   843  N N   . GLY A 1 98  ? -30.890 -23.491 -27.777 1.00 13.06 ? 104 GLY B N   1 
ATOM   844  C CA  . GLY A 1 98  ? -29.725 -22.721 -28.186 1.00 11.61 ? 104 GLY B CA  1 
ATOM   845  C C   . GLY A 1 98  ? -29.464 -21.433 -27.408 1.00 11.40 ? 104 GLY B C   1 
ATOM   846  O O   . GLY A 1 98  ? -28.792 -20.542 -27.938 1.00 12.41 ? 104 GLY B O   1 
ATOM   847  N N   . PHE A 1 99  ? -29.908 -21.378 -26.137 1.00 11.56 ? 105 PHE B N   1 
ATOM   848  C CA  . PHE A 1 99  ? -29.703 -20.172 -25.290 1.00 11.80 ? 105 PHE B CA  1 
ATOM   849  C C   . PHE A 1 99  ? -29.000 -20.526 -23.976 1.00 10.93 ? 105 PHE B C   1 
ATOM   850  O O   . PHE A 1 99  ? -29.468 -21.522 -23.351 1.00 12.38 ? 105 PHE B O   1 
ATOM   851  C CB  . PHE A 1 99  ? -31.044 -19.487 -24.958 1.00 11.76 ? 105 PHE B CB  1 
ATOM   852  C CG  . PHE A 1 99  ? -31.866 -19.008 -26.138 1.00 11.81 ? 105 PHE B CG  1 
ATOM   853  C CD1 . PHE A 1 99  ? -32.746 -19.858 -26.769 1.00 12.82 ? 105 PHE B CD1 1 
ATOM   854  C CD2 . PHE A 1 99  ? -31.711 -17.719 -26.604 1.00 11.67 ? 105 PHE B CD2 1 
ATOM   855  C CE1 . PHE A 1 99  ? -33.514 -19.398 -27.839 1.00 13.37 ? 105 PHE B CE1 1 
ATOM   856  C CE2 . PHE A 1 99  ? -32.464 -17.267 -27.667 1.00 12.95 ? 105 PHE B CE2 1 
ATOM   857  C CZ  . PHE A 1 99  ? -33.353 -18.115 -28.265 1.00 12.19 ? 105 PHE B CZ  1 
ATOM   858  N N   . TRP A 1 100 ? -28.062 -19.680 -23.549 1.00 10.34 ? 106 TRP B N   1 
ATOM   859  C CA  . TRP A 1 100 ? -27.379 -19.796 -22.239 1.00 10.67 ? 106 TRP B CA  1 
ATOM   860  C C   . TRP A 1 100 ? -27.543 -18.448 -21.563 1.00 10.03 ? 106 TRP B C   1 
ATOM   861  O O   . TRP A 1 100 ? -26.796 -17.505 -21.906 1.00 10.49 ? 106 TRP B O   1 
ATOM   862  C CB  . TRP A 1 100 ? -25.915 -20.250 -22.385 1.00 10.72 ? 106 TRP B CB  1 
ATOM   863  C CG  . TRP A 1 100 ? -25.824 -21.618 -23.016 1.00 11.14 ? 106 TRP B CG  1 
ATOM   864  C CD1 . TRP A 1 100 ? -25.746 -22.827 -22.364 1.00 11.61 ? 106 TRP B CD1 1 
ATOM   865  C CD2 . TRP A 1 100 ? -25.842 -21.938 -24.437 1.00 11.94 ? 106 TRP B CD2 1 
ATOM   866  N NE1 . TRP A 1 100 ? -25.761 -23.868 -23.294 1.00 12.41 ? 106 TRP B NE1 1 
ATOM   867  C CE2 . TRP A 1 100 ? -25.856 -23.342 -24.546 1.00 12.64 ? 106 TRP B CE2 1 
ATOM   868  C CE3 . TRP A 1 100 ? -25.916 -21.153 -25.581 1.00 12.04 ? 106 TRP B CE3 1 
ATOM   869  C CZ2 . TRP A 1 100 ? -25.920 -23.991 -25.785 1.00 13.09 ? 106 TRP B CZ2 1 
ATOM   870  C CZ3 . TRP A 1 100 ? -25.936 -21.802 -26.804 1.00 13.74 ? 106 TRP B CZ3 1 
ATOM   871  C CH2 . TRP A 1 100 ? -25.973 -23.171 -26.885 1.00 13.43 ? 106 TRP B CH2 1 
ATOM   872  N N   . THR A 1 101 ? -28.545 -18.348 -20.686 1.00 11.00 ? 107 THR B N   1 
ATOM   873  C CA  . THR A 1 101 ? -29.082 -17.041 -20.220 1.00 10.76 ? 107 THR B CA  1 
ATOM   874  C C   . THR A 1 101 ? -29.395 -17.111 -18.723 1.00 10.19 ? 107 THR B C   1 
ATOM   875  O O   . THR A 1 101 ? -29.665 -18.178 -18.172 1.00 10.31 ? 107 THR B O   1 
ATOM   876  C CB  . THR A 1 101 ? -30.321 -16.577 -20.979 1.00 11.30 ? 107 THR B CB  1 
ATOM   877  O OG1 . THR A 1 101 ? -31.367 -17.518 -20.768 1.00 11.93 ? 107 THR B OG1 1 
ATOM   878  C CG2 . THR A 1 101 ? -29.982 -16.364 -22.446 1.00 11.39 ? 107 THR B CG2 1 
ATOM   879  N N   . ILE A 1 102 ? -29.411 -15.915 -18.120 1.00 10.78 ? 108 ILE B N   1 
ATOM   880  C CA  . ILE A 1 102 ? -30.066 -15.687 -16.783 1.00 11.07 ? 108 ILE B CA  1 
ATOM   881  C C   . ILE A 1 102 ? -31.089 -14.577 -16.976 1.00 11.21 ? 108 ILE B C   1 
ATOM   882  O O   . ILE A 1 102 ? -30.997 -13.796 -17.960 1.00 11.21 ? 108 ILE B O   1 
ATOM   883  C CB  . ILE A 1 102 ? -29.050 -15.367 -15.667 1.00 11.10 ? 108 ILE B CB  1 
ATOM   884  C CG1 . ILE A 1 102 ? -28.344 -14.035 -15.848 1.00 11.85 ? 108 ILE B CG1 1 
ATOM   885  C CG2 . ILE A 1 102 ? -28.035 -16.493 -15.544 1.00 12.12 ? 108 ILE B CG2 1 
ATOM   886  C CD1 . ILE A 1 102 ? -27.500 -13.561 -14.676 1.00 13.20 ? 108 ILE B CD1 1 
ATOM   887  N N   . TRP A 1 103 ? -31.940 -14.409 -15.989 1.00 10.92 ? 109 TRP B N   1 
ATOM   888  C CA  . TRP A 1 103 ? -32.941 -13.335 -16.047 1.00 11.46 ? 109 TRP B CA  1 
ATOM   889  C C   . TRP A 1 103 ? -33.358 -12.869 -14.669 1.00 12.29 ? 109 TRP B C   1 
ATOM   890  O O   . TRP A 1 103 ? -33.176 -13.558 -13.647 1.00 11.75 ? 109 TRP B O   1 
ATOM   891  C CB  . TRP A 1 103 ? -34.125 -13.722 -16.873 1.00 14.68 ? 109 TRP B CB  1 
ATOM   892  C CG  . TRP A 1 103 ? -34.905 -14.865 -16.364 1.00 15.64 ? 109 TRP B CG  1 
ATOM   893  C CD1 . TRP A 1 103 ? -35.801 -14.844 -15.330 1.00 17.27 ? 109 TRP B CD1 1 
ATOM   894  C CD2 . TRP A 1 103 ? -35.037 -16.122 -17.016 1.00 16.48 ? 109 TRP B CD2 1 
ATOM   895  N NE1 . TRP A 1 103 ? -36.461 -16.032 -15.279 1.00 19.71 ? 109 TRP B NE1 1 
ATOM   896  C CE2 . TRP A 1 103 ? -36.014 -16.850 -16.294 1.00 17.20 ? 109 TRP B CE2 1 
ATOM   897  C CE3 . TRP A 1 103 ? -34.415 -16.688 -18.132 1.00 17.91 ? 109 TRP B CE3 1 
ATOM   898  C CZ2 . TRP A 1 103 ? -36.388 -18.141 -16.659 1.00 20.95 ? 109 TRP B CZ2 1 
ATOM   899  C CZ3 . TRP A 1 103 ? -34.796 -17.960 -18.484 1.00 20.11 ? 109 TRP B CZ3 1 
ATOM   900  C CH2 . TRP A 1 103 ? -35.765 -18.654 -17.775 1.00 18.78 ? 109 TRP B CH2 1 
ATOM   901  N N   . LEU A 1 104 ? -33.950 -11.666 -14.673 1.00 12.15 ? 110 LEU B N   1 
ATOM   902  C CA  . LEU A 1 104 ? -34.743 -11.120 -13.555 1.00 12.14 ? 110 LEU B CA  1 
ATOM   903  C C   . LEU A 1 104 ? -36.195 -11.110 -13.991 1.00 11.73 ? 110 LEU B C   1 
ATOM   904  O O   . LEU A 1 104 ? -36.514 -10.628 -15.067 1.00 11.95 ? 110 LEU B O   1 
ATOM   905  C CB  . LEU A 1 104 ? -34.252 -9.715  -13.252 1.00 12.16 ? 110 LEU B CB  1 
ATOM   906  C CG  . LEU A 1 104 ? -35.104 -8.950  -12.239 1.00 12.93 ? 110 LEU B CG  1 
ATOM   907  C CD1 . LEU A 1 104 ? -35.145 -9.620  -10.872 1.00 13.80 ? 110 LEU B CD1 1 
ATOM   908  C CD2 . LEU A 1 104 ? -34.607 -7.530  -12.117 1.00 14.62 ? 110 LEU B CD2 1 
ATOM   909  N N   . TRP A 1 105 ? -37.095 -11.571 -13.101 1.00 12.57 ? 111 TRP B N   1 
ATOM   910  C CA  . TRP A 1 105 ? -38.533 -11.543 -13.367 1.00 13.38 ? 111 TRP B CA  1 
ATOM   911  C C   . TRP A 1 105 ? -39.258 -11.590 -12.035 1.00 15.28 ? 111 TRP B C   1 
ATOM   912  O O   . TRP A 1 105 ? -38.949 -12.476 -11.227 1.00 15.53 ? 111 TRP B O   1 
ATOM   913  C CB  . TRP A 1 105 ? -38.885 -12.748 -14.223 1.00 17.15 ? 111 TRP B CB  1 
ATOM   914  C CG  . TRP A 1 105 ? -40.325 -13.000 -14.346 1.00 22.09 ? 111 TRP B CG  1 
ATOM   915  C CD1 . TRP A 1 105 ? -41.096 -13.975 -13.760 1.00 22.83 ? 111 TRP B CD1 1 
ATOM   916  C CD2 . TRP A 1 105 ? -41.169 -12.201 -15.144 1.00 21.73 ? 111 TRP B CD2 1 
ATOM   917  N NE1 . TRP A 1 105 ? -42.371 -13.836 -14.187 1.00 24.03 ? 111 TRP B NE1 1 
ATOM   918  C CE2 . TRP A 1 105 ? -42.453 -12.765 -15.025 1.00 19.90 ? 111 TRP B CE2 1 
ATOM   919  C CE3 . TRP A 1 105 ? -40.961 -11.092 -15.953 1.00 22.53 ? 111 TRP B CE3 1 
ATOM   920  C CZ2 . TRP A 1 105 ? -43.547 -12.237 -15.682 1.00 28.71 ? 111 TRP B CZ2 1 
ATOM   921  C CZ3 . TRP A 1 105 ? -42.050 -10.559 -16.599 1.00 29.71 ? 111 TRP B CZ3 1 
ATOM   922  C CH2 . TRP A 1 105 ? -43.327 -11.105 -16.435 1.00 28.11 ? 111 TRP B CH2 1 
ATOM   923  N N   . GLN A 1 106 ? -40.156 -10.622 -11.782 1.00 13.76 ? 112 GLN B N   1 
ATOM   924  C CA  . GLN A 1 106 ? -40.987 -10.645 -10.538 1.00 14.92 ? 112 GLN B CA  1 
ATOM   925  C C   . GLN A 1 106 ? -40.098 -10.850 -9.331  1.00 14.44 ? 112 GLN B C   1 
ATOM   926  O O   . GLN A 1 106 ? -40.464 -11.673 -8.411  1.00 16.75 ? 112 GLN B O   1 
ATOM   927  C CB  . GLN A 1 106 ? -42.098 -11.693 -10.693 1.00 15.77 ? 112 GLN B CB  1 
ATOM   928  C CG  . GLN A 1 106 ? -43.036 -11.322 -11.835 1.00 17.41 ? 112 GLN B CG  1 
ATOM   929  C CD  . GLN A 1 106 ? -44.286 -12.158 -11.956 1.00 19.78 ? 112 GLN B CD  1 
ATOM   930  O OE1 . GLN A 1 106 ? -45.243 -11.782 -12.674 1.00 22.48 ? 112 GLN B OE1 1 
ATOM   931  N NE2 . GLN A 1 106 ? -44.351 -13.221 -11.186 1.00 18.47 ? 112 GLN B NE2 1 
ATOM   932  N N   . ASP A 1 107 ? -39.101 -10.015 -9.181  1.00 15.52 ? 113 ASP B N   1 
ATOM   933  C CA  . ASP A 1 107 ? -38.287 -9.929  -7.971  1.00 19.19 ? 113 ASP B CA  1 
ATOM   934  C C   . ASP A 1 107 ? -37.460 -11.191 -7.682  1.00 20.64 ? 113 ASP B C   1 
ATOM   935  O O   . ASP A 1 107 ? -36.836 -11.205 -6.582  1.00 27.48 ? 113 ASP B O   1 
ATOM   936  C CB  . ASP A 1 107 ? -39.250 -9.724  -6.797  1.00 22.61 ? 113 ASP B CB  1 
ATOM   937  C CG  . ASP A 1 107 ? -38.639 -9.041  -5.621  1.00 31.94 ? 113 ASP B CG  1 
ATOM   938  O OD1 . ASP A 1 107 ? -37.634 -8.297  -5.802  1.00 35.47 ? 113 ASP B OD1 1 
ATOM   939  O OD2 . ASP A 1 107 ? -39.219 -9.217  -4.511  1.00 42.64 ? 113 ASP B OD2 1 
ATOM   940  N N   . SER A 1 108 ? -37.330 -12.116 -8.631  1.00 16.26 ? 114 SER B N   1 
ATOM   941  C CA  . SER A 1 108 ? -36.408 -13.280 -8.504  1.00 17.41 ? 114 SER B CA  1 
ATOM   942  C C   . SER A 1 108 ? -35.496 -13.387 -9.722  1.00 16.12 ? 114 SER B C   1 
ATOM   943  O O   . SER A 1 108 ? -35.875 -13.066 -10.878 1.00 15.42 ? 114 SER B O   1 
ATOM   944  C CB  . SER A 1 108 ? -37.189 -14.500 -8.178  1.00 21.52 ? 114 SER B CB  1 
ATOM   945  O OG  . SER A 1 108 ? -37.912 -15.004 -9.267  1.00 30.99 ? 114 SER B OG  1 
ATOM   946  N N   . TYR A 1 109 ? -34.309 -13.884 -9.463  1.00 14.44 ? 115 TYR B N   1 
ATOM   947  C CA  . TYR A 1 109 ? -33.289 -14.175 -10.512 1.00 13.94 ? 115 TYR B CA  1 
ATOM   948  C C   . TYR A 1 109 ? -33.253 -15.669 -10.765 1.00 13.62 ? 115 TYR B C   1 
ATOM   949  O O   . TYR A 1 109 ? -33.253 -16.476 -9.828  1.00 13.49 ? 115 TYR B O   1 
ATOM   950  C CB  . TYR A 1 109 ? -31.954 -13.646 -10.055 1.00 13.46 ? 115 TYR B CB  1 
ATOM   951  C CG  . TYR A 1 109 ? -31.886 -12.151 -9.824  1.00 13.86 ? 115 TYR B CG  1 
ATOM   952  C CD1 . TYR A 1 109 ? -32.141 -11.624 -8.576  1.00 14.51 ? 115 TYR B CD1 1 
ATOM   953  C CD2 . TYR A 1 109 ? -31.511 -11.287 -10.828 1.00 13.58 ? 115 TYR B CD2 1 
ATOM   954  C CE1 . TYR A 1 109 ? -32.015 -10.255 -8.339  1.00 15.78 ? 115 TYR B CE1 1 
ATOM   955  C CE2 . TYR A 1 109 ? -31.456 -9.914  -10.618 1.00 13.87 ? 115 TYR B CE2 1 
ATOM   956  C CZ  . TYR A 1 109 ? -31.704 -9.406  -9.367  1.00 15.55 ? 115 TYR B CZ  1 
ATOM   957  O OH  . TYR A 1 109 ? -31.651 -8.051  -9.144  1.00 16.72 ? 115 TYR B OH  1 
ATOM   958  N N   A GLU A 1 110 ? -33.245 -16.079 -12.034 0.25 13.13 ? 116 GLU B N   1 
ATOM   959  N N   B GLU A 1 110 ? -33.215 -16.048 -12.040 0.25 13.02 ? 116 GLU B N   1 
ATOM   960  C CA  A GLU A 1 110 ? -33.242 -17.516 -12.426 0.25 13.56 ? 116 GLU B CA  1 
ATOM   961  C CA  B GLU A 1 110 ? -33.267 -17.459 -12.501 0.25 13.34 ? 116 GLU B CA  1 
ATOM   962  C C   A GLU A 1 110 ? -32.321 -17.735 -13.631 0.25 11.86 ? 116 GLU B C   1 
ATOM   963  C C   B GLU A 1 110 ? -32.180 -17.666 -13.565 0.25 11.33 ? 116 GLU B C   1 
ATOM   964  O O   A GLU A 1 110 ? -32.254 -16.881 -14.519 0.25 12.18 ? 116 GLU B O   1 
ATOM   965  O O   B GLU A 1 110 ? -31.792 -16.689 -14.251 0.25 10.28 ? 116 GLU B O   1 
ATOM   966  C CB  A GLU A 1 110 ? -34.648 -18.031 -12.730 0.25 15.06 ? 116 GLU B CB  1 
ATOM   967  C CB  B GLU A 1 110 ? -34.653 -17.811 -13.047 0.25 15.05 ? 116 GLU B CB  1 
ATOM   968  C CG  A GLU A 1 110 ? -35.598 -17.957 -11.535 0.25 16.81 ? 116 GLU B CG  1 
ATOM   969  C CG  B GLU A 1 110 ? -35.781 -17.691 -12.016 0.25 17.69 ? 116 GLU B CG  1 
ATOM   970  C CD  A GLU A 1 110 ? -37.039 -18.260 -11.897 0.25 19.06 ? 116 GLU B CD  1 
ATOM   971  C CD  B GLU A 1 110 ? -35.924 -18.881 -11.076 0.25 19.46 ? 116 GLU B CD  1 
ATOM   972  O OE1 A GLU A 1 110 ? -37.467 -17.872 -13.004 0.25 21.14 ? 116 GLU B OE1 1 
ATOM   973  O OE1 B GLU A 1 110 ? -35.425 -19.972 -11.409 0.25 23.87 ? 116 GLU B OE1 1 
ATOM   974  O OE2 A GLU A 1 110 ? -37.743 -18.883 -11.080 0.25 19.45 ? 116 GLU B OE2 1 
ATOM   975  O OE2 B GLU A 1 110 ? -36.573 -18.723 -10.035 0.25 26.53 ? 116 GLU B OE2 1 
ATOM   976  N N   . ALA A 1 111 ? -31.677 -18.900 -13.671 1.00 11.79 ? 117 ALA B N   1 
ATOM   977  C CA  . ALA A 1 111 ? -30.907 -19.328 -14.851 1.00 11.43 ? 117 ALA B CA  1 
ATOM   978  C C   . ALA A 1 111 ? -31.853 -20.063 -15.786 1.00 12.39 ? 117 ALA B C   1 
ATOM   979  O O   . ALA A 1 111 ? -32.686 -20.894 -15.378 1.00 12.72 ? 117 ALA B O   1 
ATOM   980  C CB  . ALA A 1 111 ? -29.710 -20.210 -14.485 1.00 12.75 ? 117 ALA B CB  1 
ATOM   981  N N   . GLY A 1 112 ? -31.677 -19.821 -17.088 1.00 12.72 ? 118 GLY B N   1 
ATOM   982  C CA  . GLY A 1 112 ? -32.493 -20.400 -18.167 1.00 13.71 ? 118 GLY B CA  1 
ATOM   983  C C   . GLY A 1 112 ? -32.145 -21.843 -18.485 1.00 14.01 ? 118 GLY B C   1 
ATOM   984  O O   . GLY A 1 112 ? -31.814 -22.177 -19.588 1.00 16.14 ? 118 GLY B O   1 
ATOM   985  N N   . THR A 1 113 ? -32.149 -22.728 -17.509 1.00 16.43 ? 119 THR B N   1 
ATOM   986  C CA  . THR A 1 113 ? -32.160 -24.185 -17.714 1.00 18.46 ? 119 THR B CA  1 
ATOM   987  C C   . THR A 1 113 ? -33.593 -24.656 -17.961 1.00 19.18 ? 119 THR B C   1 
ATOM   988  O O   . THR A 1 113 ? -34.515 -23.874 -17.774 1.00 20.42 ? 119 THR B O   1 
ATOM   989  C CB  . THR A 1 113 ? -31.529 -24.816 -16.486 1.00 15.76 ? 119 THR B CB  1 
ATOM   990  O OG1 . THR A 1 113 ? -32.223 -24.336 -15.313 1.00 15.76 ? 119 THR B OG1 1 
ATOM   991  C CG2 . THR A 1 113 ? -30.078 -24.522 -16.307 1.00 17.47 ? 119 THR B CG2 1 
ATOM   992  N N   . SER A 1 114 ? -33.790 -25.924 -18.299 1.00 22.03 ? 120 SER B N   1 
ATOM   993  C CA  . SER A 1 114 ? -35.156 -26.450 -18.485 1.00 25.50 ? 120 SER B CA  1 
ATOM   994  C C   . SER A 1 114 ? -35.332 -27.665 -17.570 1.00 24.61 ? 120 SER B C   1 
ATOM   995  O O   . SER A 1 114 ? -34.670 -28.690 -17.732 1.00 25.96 ? 120 SER B O   1 
ATOM   996  C CB  . SER A 1 114 ? -35.432 -26.766 -19.952 1.00 30.69 ? 120 SER B CB  1 
ATOM   997  O OG  . SER A 1 114 ? -36.753 -27.301 -20.081 1.00 32.89 ? 120 SER B OG  1 
ATOM   998  N N   . PRO A 1 115 ? -36.058 -27.529 -16.456 1.00 22.79 ? 121 PRO B N   1 
ATOM   999  C CA  . PRO A 1 115 ? -36.711 -26.292 -16.049 1.00 23.29 ? 121 PRO B CA  1 
ATOM   1000 C C   . PRO A 1 115 ? -35.724 -25.297 -15.403 1.00 20.49 ? 121 PRO B C   1 
ATOM   1001 O O   . PRO A 1 115 ? -34.584 -25.633 -15.129 1.00 18.72 ? 121 PRO B O   1 
ATOM   1002 C CB  . PRO A 1 115 ? -37.747 -26.782 -15.034 1.00 26.15 ? 121 PRO B CB  1 
ATOM   1003 C CG  . PRO A 1 115 ? -37.072 -27.967 -14.370 1.00 25.37 ? 121 PRO B CG  1 
ATOM   1004 C CD  . PRO A 1 115 ? -36.193 -28.603 -15.445 1.00 24.27 ? 121 PRO B CD  1 
ATOM   1005 N N   . GLN A 1 116 ? -36.176 -24.072 -15.210 1.00 19.85 ? 122 GLN B N   1 
ATOM   1006 C CA  . GLN A 1 116 ? -35.321 -22.954 -14.726 1.00 18.09 ? 122 GLN B CA  1 
ATOM   1007 C C   . GLN A 1 116 ? -34.785 -23.240 -13.318 1.00 15.55 ? 122 GLN B C   1 
ATOM   1008 O O   . GLN A 1 116 ? -35.424 -23.957 -12.530 1.00 16.86 ? 122 GLN B O   1 
ATOM   1009 C CB  . GLN A 1 116 ? -36.040 -21.607 -14.809 1.00 22.37 ? 122 GLN B CB  1 
ATOM   1010 C CG  . GLN A 1 116 ? -37.164 -21.383 -13.823 1.00 28.99 ? 122 GLN B CG  1 
ATOM   1011 C CD  . GLN A 1 116 ? -38.522 -21.745 -14.372 1.00 42.48 ? 122 GLN B CD  1 
ATOM   1012 O OE1 . GLN A 1 116 ? -38.670 -22.624 -15.225 1.00 47.39 ? 122 GLN B OE1 1 
ATOM   1013 N NE2 . GLN A 1 116 ? -39.540 -21.080 -13.847 1.00 50.44 ? 122 GLN B NE2 1 
ATOM   1014 N N   . THR A 1 117 ? -33.655 -22.622 -13.015 1.00 13.69 ? 123 THR B N   1 
ATOM   1015 C CA  . THR A 1 117 ? -32.909 -22.785 -11.764 1.00 13.61 ? 123 THR B CA  1 
ATOM   1016 C C   . THR A 1 117 ? -32.987 -21.493 -10.974 1.00 13.70 ? 123 THR B C   1 
ATOM   1017 O O   . THR A 1 117 ? -32.529 -20.458 -11.479 1.00 15.22 ? 123 THR B O   1 
ATOM   1018 C CB  . THR A 1 117 ? -31.484 -23.285 -12.034 1.00 13.93 ? 123 THR B CB  1 
ATOM   1019 O OG1 . THR A 1 117 ? -31.571 -24.513 -12.743 1.00 15.04 ? 123 THR B OG1 1 
ATOM   1020 C CG2 . THR A 1 117 ? -30.711 -23.419 -10.746 1.00 14.55 ? 123 THR B CG2 1 
ATOM   1021 N N   . THR A 1 118 ? -33.392 -21.557 -9.703  1.00 15.35 ? 124 THR B N   1 
ATOM   1022 C CA  . THR A 1 118 ? -33.350 -20.410 -8.783  1.00 15.65 ? 124 THR B CA  1 
ATOM   1023 C C   . THR A 1 118 ? -31.934 -19.946 -8.487  1.00 14.70 ? 124 THR B C   1 
ATOM   1024 O O   . THR A 1 118 ? -31.032 -20.821 -8.194  1.00 16.68 ? 124 THR B O   1 
ATOM   1025 C CB  . THR A 1 118 ? -34.012 -20.873 -7.473  1.00 18.68 ? 124 THR B CB  1 
ATOM   1026 O OG1 . THR A 1 118 ? -35.366 -21.170 -7.749  1.00 22.13 ? 124 THR B OG1 1 
ATOM   1027 C CG2 . THR A 1 118 ? -33.837 -19.841 -6.391  1.00 23.13 ? 124 THR B CG2 1 
ATOM   1028 N N   . LEU A 1 119 ? -31.642 -18.667 -8.601  1.00 13.77 ? 125 LEU B N   1 
ATOM   1029 C CA  . LEU A 1 119 ? -30.331 -18.082 -8.306  1.00 13.25 ? 125 LEU B CA  1 
ATOM   1030 C C   . LEU A 1 119 ? -30.406 -17.492 -6.891  1.00 16.91 ? 125 LEU B C   1 
ATOM   1031 O O   . LEU A 1 119 ? -31.516 -17.228 -6.414  1.00 21.01 ? 125 LEU B O   1 
ATOM   1032 C CB  . LEU A 1 119 ? -29.898 -16.995 -9.295  1.00 13.85 ? 125 LEU B CB  1 
ATOM   1033 C CG  . LEU A 1 119 ? -29.815 -17.505 -10.746 1.00 13.11 ? 125 LEU B CG  1 
ATOM   1034 C CD1 . LEU A 1 119 ? -29.544 -16.383 -11.720 1.00 13.94 ? 125 LEU B CD1 1 
ATOM   1035 C CD2 . LEU A 1 119 ? -28.741 -18.599 -10.880 1.00 14.28 ? 125 LEU B CD2 1 
ATOM   1036 N N   . HIS A 1 120 ? -29.289 -17.341 -6.236  1.00 15.71 ? 126 HIS B N   1 
ATOM   1037 C CA  . HIS A 1 120 ? -29.150 -16.881 -4.828  1.00 16.16 ? 126 HIS B CA  1 
ATOM   1038 C C   . HIS A 1 120 ? -28.274 -15.635 -4.869  1.00 17.87 ? 126 HIS B C   1 
ATOM   1039 O O   . HIS A 1 120 ? -27.015 -15.748 -4.859  1.00 23.33 ? 126 HIS B O   1 
ATOM   1040 C CB  . HIS A 1 120 ? -28.489 -17.999 -3.979  1.00 17.25 ? 126 HIS B CB  1 
ATOM   1041 C CG  . HIS A 1 120 ? -29.258 -19.294 -3.952  1.00 18.82 ? 126 HIS B CG  1 
ATOM   1042 N ND1 . HIS A 1 120 ? -28.967 -20.354 -4.812  1.00 23.15 ? 126 HIS B ND1 1 
ATOM   1043 C CD2 . HIS A 1 120 ? -30.343 -19.659 -3.256  1.00 23.06 ? 126 HIS B CD2 1 
ATOM   1044 C CE1 . HIS A 1 120 ? -29.871 -21.313 -4.621  1.00 24.41 ? 126 HIS B CE1 1 
ATOM   1045 N NE2 . HIS A 1 120 ? -30.651 -20.948 -3.622  1.00 21.70 ? 126 HIS B NE2 1 
ATOM   1046 N N   . ILE A 1 121 ? -28.864 -14.483 -5.002  1.00 20.24 ? 127 ILE B N   1 
ATOM   1047 C CA  . ILE A 1 121 ? -28.114 -13.209 -5.119  1.00 20.72 ? 127 ILE B CA  1 
ATOM   1048 C C   . ILE A 1 121 ? -28.472 -12.365 -3.863  1.00 22.40 ? 127 ILE B C   1 
ATOM   1049 O O   . ILE A 1 121 ? -29.649 -12.094 -3.644  1.00 29.23 ? 127 ILE B O   1 
ATOM   1050 C CB  . ILE A 1 121 ? -28.468 -12.531 -6.466  1.00 22.08 ? 127 ILE B CB  1 
ATOM   1051 C CG1 . ILE A 1 121 ? -28.158 -13.421 -7.687  1.00 20.30 ? 127 ILE B CG1 1 
ATOM   1052 C CG2 . ILE A 1 121 ? -27.736 -11.197 -6.508  1.00 27.97 ? 127 ILE B CG2 1 
ATOM   1053 C CD1 . ILE A 1 121 ? -28.271 -12.718 -9.024  1.00 20.09 ? 127 ILE B CD1 1 
ATOM   1054 N N   . GLN A 1 122 ? -27.478 -12.026 -3.061  1.00 25.81 ? 128 GLN B N   1 
ATOM   1055 C CA  . GLN A 1 122 ? -27.697 -11.232 -1.808  1.00 28.89 ? 128 GLN B CA  1 
ATOM   1056 C C   . GLN A 1 122 ? -27.715 -9.727  -2.139  1.00 26.28 ? 128 GLN B C   1 
ATOM   1057 O O   . GLN A 1 122 ? -28.533 -8.987  -1.524  1.00 27.84 ? 128 GLN B O   1 
ATOM   1058 C CB  . GLN A 1 122 ? -26.634 -11.620 -0.774  1.00 33.02 ? 128 GLN B CB  1 
ATOM   1059 C CG  . GLN A 1 122 ? -26.698 -10.828 0.542   1.00 42.46 ? 128 GLN B CG  1 
ATOM   1060 C CD  . GLN A 1 122 ? -28.007 -10.909 1.306   1.00 47.87 ? 128 GLN B CD  1 
ATOM   1061 O OE1 . GLN A 1 122 ? -28.727 -11.910 1.280   1.00 51.72 ? 128 GLN B OE1 1 
ATOM   1062 N NE2 . GLN A 1 122 ? -28.333 -9.843  2.022   1.00 50.41 ? 128 GLN B NE2 1 
ATOM   1063 N N   . VAL A 1 123 ? -26.977 -9.314  -3.169  1.00 23.03 ? 129 VAL B N   1 
ATOM   1064 C CA  . VAL A 1 123 ? -26.798 -7.881  -3.565  1.00 20.34 ? 129 VAL B CA  1 
ATOM   1065 C C   . VAL A 1 123 ? -27.382 -7.689  -4.964  1.00 19.50 ? 129 VAL B C   1 
ATOM   1066 O O   . VAL A 1 123 ? -26.775 -8.182  -5.915  1.00 20.33 ? 129 VAL B O   1 
ATOM   1067 C CB  . VAL A 1 123 ? -25.319 -7.470  -3.510  1.00 22.99 ? 129 VAL B CB  1 
ATOM   1068 C CG1 . VAL A 1 123 ? -25.064 -6.050  -4.019  1.00 22.19 ? 129 VAL B CG1 1 
ATOM   1069 C CG2 . VAL A 1 123 ? -24.742 -7.610  -2.106  1.00 25.62 ? 129 VAL B CG2 1 
ATOM   1070 N N   . PRO A 1 124 ? -28.597 -7.140  -5.151  1.00 18.92 ? 130 PRO B N   1 
ATOM   1071 C CA  . PRO A 1 124 ? -29.184 -7.021  -6.492  1.00 18.77 ? 130 PRO B CA  1 
ATOM   1072 C C   . PRO A 1 124 ? -28.196 -6.342  -7.413  1.00 18.46 ? 130 PRO B C   1 
ATOM   1073 O O   . PRO A 1 124 ? -27.680 -5.292  -7.142  1.00 18.94 ? 130 PRO B O   1 
ATOM   1074 C CB  . PRO A 1 124 ? -30.426 -6.152  -6.233  1.00 21.41 ? 130 PRO B CB  1 
ATOM   1075 C CG  . PRO A 1 124 ? -30.837 -6.641  -4.845  1.00 21.64 ? 130 PRO B CG  1 
ATOM   1076 C CD  . PRO A 1 124 ? -29.548 -6.706  -4.105  1.00 22.15 ? 130 PRO B CD  1 
ATOM   1077 N N   . PRO A 1 125 ? -27.817 -6.968  -8.535  1.00 16.02 ? 131 PRO B N   1 
ATOM   1078 C CA  . PRO A 1 125 ? -26.815 -6.385  -9.410  1.00 16.04 ? 131 PRO B CA  1 
ATOM   1079 C C   . PRO A 1 125 ? -27.311 -5.177  -10.201 1.00 15.31 ? 131 PRO B C   1 
ATOM   1080 O O   . PRO A 1 125 ? -28.399 -5.204  -10.704 1.00 16.76 ? 131 PRO B O   1 
ATOM   1081 C CB  . PRO A 1 125 ? -26.407 -7.549  -10.328 1.00 16.96 ? 131 PRO B CB  1 
ATOM   1082 C CG  . PRO A 1 125 ? -27.523 -8.527  -10.209 1.00 18.42 ? 131 PRO B CG  1 
ATOM   1083 C CD  . PRO A 1 125 ? -28.203 -8.346  -8.880  1.00 17.00 ? 131 PRO B CD  1 
ATOM   1084 N N   . CYS A 1 126 ? -26.433 -4.189  -10.328 1.00 15.36 ? 132 CYS B N   1 
ATOM   1085 C CA  . CYS A 1 126 ? -26.628 -3.075  -11.289 1.00 17.14 ? 132 CYS B CA  1 
ATOM   1086 C C   . CYS A 1 126 ? -25.860 -3.317  -12.578 1.00 15.51 ? 132 CYS B C   1 
ATOM   1087 O O   . CYS A 1 126 ? -26.181 -2.733  -13.598 1.00 14.59 ? 132 CYS B O   1 
ATOM   1088 C CB  . CYS A 1 126 ? -26.206 -1.753  -10.671 1.00 20.50 ? 132 CYS B CB  1 
ATOM   1089 S SG  . CYS A 1 126 ? -27.287 -1.305  -9.273  1.00 27.34 ? 132 CYS B SG  1 
ATOM   1090 N N   A GLN A 1 127 ? -24.786 -4.123  -12.540 0.25 15.15 ? 133 GLN B N   1 
ATOM   1091 N N   B GLN A 1 127 ? -24.897 -4.236  -12.511 0.25 15.29 ? 133 GLN B N   1 
ATOM   1092 C CA  A GLN A 1 127 ? -24.013 -4.517  -13.756 0.25 16.05 ? 133 GLN B CA  1 
ATOM   1093 C CA  B GLN A 1 127 ? -23.996 -4.559  -13.636 0.25 16.77 ? 133 GLN B CA  1 
ATOM   1094 C C   A GLN A 1 127 ? -23.614 -5.993  -13.650 0.25 15.10 ? 133 GLN B C   1 
ATOM   1095 C C   B GLN A 1 127 ? -23.749 -6.068  -13.595 0.25 15.63 ? 133 GLN B C   1 
ATOM   1096 O O   A GLN A 1 127 ? -23.149 -6.443  -12.575 0.25 13.26 ? 133 GLN B O   1 
ATOM   1097 O O   B GLN A 1 127 ? -23.644 -6.649  -12.480 0.25 13.79 ? 133 GLN B O   1 
ATOM   1098 C CB  A GLN A 1 127 ? -22.729 -3.716  -14.008 0.25 17.45 ? 133 GLN B CB  1 
ATOM   1099 C CB  B GLN A 1 127 ? -22.727 -3.711  -13.548 0.25 18.94 ? 133 GLN B CB  1 
ATOM   1100 C CG  A GLN A 1 127 ? -22.914 -2.227  -14.276 0.25 18.99 ? 133 GLN B CG  1 
ATOM   1101 C CG  B GLN A 1 127 ? -22.975 -2.222  -13.729 0.25 21.41 ? 133 GLN B CG  1 
ATOM   1102 C CD  A GLN A 1 127 ? -22.786 -1.457  -12.985 0.25 20.74 ? 133 GLN B CD  1 
ATOM   1103 C CD  B GLN A 1 127 ? -21.729 -1.456  -14.093 0.25 22.27 ? 133 GLN B CD  1 
ATOM   1104 O OE1 A GLN A 1 127 ? -22.045 -1.853  -12.089 0.25 21.01 ? 133 GLN B OE1 1 
ATOM   1105 O OE1 B GLN A 1 127 ? -20.617 -1.963  -14.008 0.25 26.34 ? 133 GLN B OE1 1 
ATOM   1106 N NE2 A GLN A 1 127 ? -23.549 -0.379  -12.860 0.25 21.09 ? 133 GLN B NE2 1 
ATOM   1107 N NE2 B GLN A 1 127 ? -21.913 -0.213  -14.485 0.25 24.79 ? 133 GLN B NE2 1 
ATOM   1108 N N   . ILE A 1 128 ? -23.773 -6.690  -14.776 1.00 14.18 ? 134 ILE B N   1 
ATOM   1109 C CA  . ILE A 1 128 ? -23.583 -8.157  -14.924 1.00 14.35 ? 134 ILE B CA  1 
ATOM   1110 C C   . ILE A 1 128 ? -22.384 -8.321  -15.847 1.00 13.78 ? 134 ILE B C   1 
ATOM   1111 O O   . ILE A 1 128 ? -22.341 -7.738  -16.937 1.00 13.86 ? 134 ILE B O   1 
ATOM   1112 C CB  . ILE A 1 128 ? -24.829 -8.820  -15.510 1.00 15.36 ? 134 ILE B CB  1 
ATOM   1113 C CG1 . ILE A 1 128 ? -26.120 -8.609  -14.686 1.00 17.22 ? 134 ILE B CG1 1 
ATOM   1114 C CG2 . ILE A 1 128 ? -24.532 -10.300 -15.785 1.00 14.76 ? 134 ILE B CG2 1 
ATOM   1115 C CD1 . ILE A 1 128 ? -26.194 -9.416  -13.485 1.00 17.19 ? 134 ILE B CD1 1 
ATOM   1116 N N   . GLY A 1 129 ? -21.440 -9.200  -15.471 1.00 13.47 ? 135 GLY B N   1 
ATOM   1117 C CA  . GLY A 1 129 ? -20.355 -9.666  -16.328 1.00 13.10 ? 135 GLY B CA  1 
ATOM   1118 C C   . GLY A 1 129 ? -20.658 -11.034 -16.898 1.00 12.37 ? 135 GLY B C   1 
ATOM   1119 O O   . GLY A 1 129 ? -21.222 -11.883 -16.214 1.00 13.25 ? 135 GLY B O   1 
ATOM   1120 N N   . ILE A 1 130 ? -20.423 -11.174 -18.205 1.00 13.27 ? 136 ILE B N   1 
ATOM   1121 C CA  . ILE A 1 130 ? -20.683 -12.441 -18.961 1.00 12.74 ? 136 ILE B CA  1 
ATOM   1122 C C   . ILE A 1 130 ? -19.367 -12.934 -19.557 1.00 13.22 ? 136 ILE B C   1 
ATOM   1123 O O   . ILE A 1 130 ? -18.695 -12.173 -20.265 1.00 12.85 ? 136 ILE B O   1 
ATOM   1124 C CB  . ILE A 1 130 ? -21.746 -12.213 -20.061 1.00 13.49 ? 136 ILE B CB  1 
ATOM   1125 C CG1 . ILE A 1 130 ? -23.038 -11.699 -19.432 1.00 15.29 ? 136 ILE B CG1 1 
ATOM   1126 C CG2 . ILE A 1 130 ? -21.996 -13.493 -20.866 1.00 14.45 ? 136 ILE B CG2 1 
ATOM   1127 C CD1 . ILE A 1 130 ? -24.068 -11.291 -20.403 1.00 19.17 ? 136 ILE B CD1 1 
ATOM   1128 N N   . PHE A 1 131 ? -19.009 -14.143 -19.195 1.00 13.22 ? 137 PHE B N   1 
ATOM   1129 C CA  . PHE A 1 131 ? -17.767 -14.806 -19.645 1.00 12.52 ? 137 PHE B CA  1 
ATOM   1130 C C   . PHE A 1 131 ? -18.129 -16.034 -20.445 1.00 11.89 ? 137 PHE B C   1 
ATOM   1131 O O   . PHE A 1 131 ? -18.876 -16.883 -19.964 1.00 12.83 ? 137 PHE B O   1 
ATOM   1132 C CB  . PHE A 1 131 ? -16.882 -15.197 -18.463 1.00 13.77 ? 137 PHE B CB  1 
ATOM   1133 C CG  . PHE A 1 131 ? -15.645 -15.988 -18.835 1.00 15.13 ? 137 PHE B CG  1 
ATOM   1134 C CD1 . PHE A 1 131 ? -14.623 -15.343 -19.498 1.00 16.65 ? 137 PHE B CD1 1 
ATOM   1135 C CD2 . PHE A 1 131 ? -15.471 -17.299 -18.436 1.00 15.84 ? 137 PHE B CD2 1 
ATOM   1136 C CE1 . PHE A 1 131 ? -13.464 -16.046 -19.818 1.00 19.43 ? 137 PHE B CE1 1 
ATOM   1137 C CE2 . PHE A 1 131 ? -14.331 -18.012 -18.792 1.00 17.76 ? 137 PHE B CE2 1 
ATOM   1138 C CZ  . PHE A 1 131 ? -13.332 -17.364 -19.458 1.00 17.70 ? 137 PHE B CZ  1 
ATOM   1139 N N   . VAL A 1 132 ? -17.543 -16.168 -21.632 1.00 12.45 ? 138 VAL B N   1 
ATOM   1140 C CA  . VAL A 1 132 ? -17.696 -17.362 -22.490 1.00 12.74 ? 138 VAL B CA  1 
ATOM   1141 C C   . VAL A 1 132 ? -16.321 -17.971 -22.785 1.00 11.98 ? 138 VAL B C   1 
ATOM   1142 O O   . VAL A 1 132 ? -15.432 -17.252 -23.252 1.00 14.59 ? 138 VAL B O   1 
ATOM   1143 C CB  . VAL A 1 132 ? -18.411 -17.042 -23.811 1.00 13.01 ? 138 VAL B CB  1 
ATOM   1144 C CG1 . VAL A 1 132 ? -18.545 -18.291 -24.663 1.00 14.84 ? 138 VAL B CG1 1 
ATOM   1145 C CG2 . VAL A 1 132 ? -19.780 -16.421 -23.538 1.00 14.80 ? 138 VAL B CG2 1 
ATOM   1146 N N   . ASP A 1 133 ? -16.174 -19.236 -22.456 1.00 12.69 ? 139 ASP B N   1 
ATOM   1147 C CA  . ASP A 1 133 ? -14.993 -20.030 -22.900 1.00 14.28 ? 139 ASP B CA  1 
ATOM   1148 C C   . ASP A 1 133 ? -15.480 -21.058 -23.911 1.00 12.43 ? 139 ASP B C   1 
ATOM   1149 O O   . ASP A 1 133 ? -16.109 -22.041 -23.548 1.00 13.19 ? 139 ASP B O   1 
ATOM   1150 C CB  . ASP A 1 133 ? -14.251 -20.634 -21.730 1.00 13.68 ? 139 ASP B CB  1 
ATOM   1151 C CG  . ASP A 1 133 ? -12.977 -21.379 -22.131 1.00 16.66 ? 139 ASP B CG  1 
ATOM   1152 O OD1 . ASP A 1 133 ? -12.887 -21.842 -23.285 1.00 17.95 ? 139 ASP B OD1 1 
ATOM   1153 O OD2 . ASP A 1 133 ? -12.137 -21.515 -21.204 1.00 21.42 ? 139 ASP B OD2 1 
ATOM   1154 N N   . TYR A 1 134 ? -15.270 -20.757 -25.192 1.00 14.16 ? 140 TYR B N   1 
ATOM   1155 C CA  . TYR A 1 134 ? -15.848 -21.593 -26.269 1.00 13.95 ? 140 TYR B CA  1 
ATOM   1156 C C   . TYR A 1 134 ? -15.336 -23.044 -26.206 1.00 16.10 ? 140 TYR B C   1 
ATOM   1157 O O   . TYR A 1 134 ? -16.093 -23.985 -26.135 1.00 16.91 ? 140 TYR B O   1 
ATOM   1158 C CB  . TYR A 1 134 ? -15.594 -20.953 -27.646 1.00 14.56 ? 140 TYR B CB  1 
ATOM   1159 C CG  . TYR A 1 134 ? -16.535 -21.549 -28.662 1.00 14.51 ? 140 TYR B CG  1 
ATOM   1160 C CD1 . TYR A 1 134 ? -16.366 -22.833 -29.170 1.00 14.83 ? 140 TYR B CD1 1 
ATOM   1161 C CD2 . TYR A 1 134 ? -17.672 -20.878 -29.089 1.00 14.61 ? 140 TYR B CD2 1 
ATOM   1162 C CE1 . TYR A 1 134 ? -17.272 -23.436 -30.028 1.00 14.76 ? 140 TYR B CE1 1 
ATOM   1163 C CE2 . TYR A 1 134 ? -18.592 -21.461 -29.954 1.00 14.08 ? 140 TYR B CE2 1 
ATOM   1164 C CZ  . TYR A 1 134 ? -18.396 -22.738 -30.461 1.00 14.10 ? 140 TYR B CZ  1 
ATOM   1165 O OH  . TYR A 1 134 ? -19.266 -23.383 -31.265 1.00 14.98 ? 140 TYR B OH  1 
ATOM   1166 N N   . GLU A 1 135 ? -14.028 -23.173 -26.101 1.00 17.85 ? 141 GLU B N   1 
ATOM   1167 C CA  . GLU A 1 135 ? -13.406 -24.524 -26.125 1.00 17.90 ? 141 GLU B CA  1 
ATOM   1168 C C   . GLU A 1 135 ? -13.826 -25.301 -24.901 1.00 17.08 ? 141 GLU B C   1 
ATOM   1169 O O   . GLU A 1 135 ? -14.141 -26.501 -25.045 1.00 20.64 ? 141 GLU B O   1 
ATOM   1170 C CB  . GLU A 1 135 ? -11.895 -24.432 -26.268 1.00 21.33 ? 141 GLU B CB  1 
ATOM   1171 C CG  . GLU A 1 135 ? -11.487 -24.302 -27.745 1.00 26.58 ? 141 GLU B CG  1 
ATOM   1172 C CD  . GLU A 1 135 ? -11.805 -22.942 -28.279 1.00 28.79 ? 141 GLU B CD  1 
ATOM   1173 O OE1 . GLU A 1 135 ? -12.072 -22.846 -29.432 1.00 27.55 ? 141 GLU B OE1 1 
ATOM   1174 O OE2 . GLU A 1 135 ? -11.829 -21.965 -27.485 1.00 30.43 ? 141 GLU B OE2 1 
ATOM   1175 N N   . ALA A 1 136 ? -13.876 -24.683 -23.721 1.00 14.87 ? 142 ALA B N   1 
ATOM   1176 C CA  . ALA A 1 136 ? -14.246 -25.371 -22.485 1.00 15.43 ? 142 ALA B CA  1 
ATOM   1177 C C   . ALA A 1 136 ? -15.750 -25.672 -22.405 1.00 16.78 ? 142 ALA B C   1 
ATOM   1178 O O   . ALA A 1 136 ? -16.151 -26.522 -21.597 1.00 18.04 ? 142 ALA B O   1 
ATOM   1179 C CB  . ALA A 1 136 ? -13.820 -24.545 -21.302 1.00 16.73 ? 142 ALA B CB  1 
ATOM   1180 N N   . GLY A 1 137 ? -16.612 -25.051 -23.213 1.00 15.00 ? 143 GLY B N   1 
ATOM   1181 C CA  . GLY A 1 137 ? -18.060 -25.225 -23.096 1.00 14.68 ? 143 GLY B CA  1 
ATOM   1182 C C   . GLY A 1 137 ? -18.622 -24.559 -21.828 1.00 12.72 ? 143 GLY B C   1 
ATOM   1183 O O   . GLY A 1 137 ? -19.388 -25.242 -21.141 1.00 14.06 ? 143 GLY B O   1 
ATOM   1184 N N   . VAL A 1 138 ? -18.163 -23.343 -21.520 1.00 13.17 ? 144 VAL B N   1 
ATOM   1185 C CA  . VAL A 1 138 ? -18.580 -22.602 -20.286 1.00 12.59 ? 144 VAL B CA  1 
ATOM   1186 C C   . VAL A 1 138 ? -19.182 -21.254 -20.641 1.00 12.30 ? 144 VAL B C   1 
ATOM   1187 O O   . VAL A 1 138 ? -18.571 -20.462 -21.395 1.00 13.43 ? 144 VAL B O   1 
ATOM   1188 C CB  . VAL A 1 138 ? -17.348 -22.426 -19.387 1.00 14.02 ? 144 VAL B CB  1 
ATOM   1189 C CG1 . VAL A 1 138 ? -17.593 -21.472 -18.210 1.00 14.96 ? 144 VAL B CG1 1 
ATOM   1190 C CG2 . VAL A 1 138 ? -16.888 -23.790 -18.901 1.00 15.59 ? 144 VAL B CG2 1 
ATOM   1191 N N   . VAL A 1 139 ? -20.271 -20.942 -19.927 1.00 12.93 ? 145 VAL B N   1 
ATOM   1192 C CA  . VAL A 1 139 ? -20.822 -19.557 -19.856 1.00 11.89 ? 145 VAL B CA  1 
ATOM   1193 C C   . VAL A 1 139 ? -21.054 -19.171 -18.390 1.00 10.67 ? 145 VAL B C   1 
ATOM   1194 O O   . VAL A 1 139 ? -21.803 -19.930 -17.716 1.00 12.18 ? 145 VAL B O   1 
ATOM   1195 C CB  . VAL A 1 139 ? -22.139 -19.443 -20.635 1.00 12.30 ? 145 VAL B CB  1 
ATOM   1196 C CG1 . VAL A 1 139 ? -22.654 -17.992 -20.607 1.00 12.23 ? 145 VAL B CG1 1 
ATOM   1197 C CG2 . VAL A 1 139 ? -22.006 -19.987 -22.056 1.00 12.44 ? 145 VAL B CG2 1 
ATOM   1198 N N   . SER A 1 140 ? -20.383 -18.154 -17.913 1.00 11.64 ? 146 SER B N   1 
ATOM   1199 C CA  . SER A 1 140 ? -20.475 -17.732 -16.510 1.00 12.83 ? 146 SER B CA  1 
ATOM   1200 C C   . SER A 1 140 ? -20.950 -16.286 -16.421 1.00 11.69 ? 146 SER B C   1 
ATOM   1201 O O   . SER A 1 140 ? -20.635 -15.462 -17.257 1.00 12.40 ? 146 SER B O   1 
ATOM   1202 C CB  . SER A 1 140 ? -19.134 -17.921 -15.814 1.00 12.87 ? 146 SER B CB  1 
ATOM   1203 O OG  . SER A 1 140 ? -18.793 -19.303 -15.683 1.00 13.44 ? 146 SER B OG  1 
ATOM   1204 N N   . PHE A 1 141 ? -21.640 -16.013 -15.319 1.00 11.31 ? 147 PHE B N   1 
ATOM   1205 C CA  . PHE A 1 141 ? -22.256 -14.727 -15.001 1.00 11.13 ? 147 PHE B CA  1 
ATOM   1206 C C   . PHE A 1 141 ? -21.712 -14.258 -13.666 1.00 12.24 ? 147 PHE B C   1 
ATOM   1207 O O   . PHE A 1 141 ? -21.729 -15.047 -12.686 1.00 11.29 ? 147 PHE B O   1 
ATOM   1208 C CB  . PHE A 1 141 ? -23.802 -14.811 -15.004 1.00 11.67 ? 147 PHE B CB  1 
ATOM   1209 C CG  . PHE A 1 141 ? -24.373 -15.231 -16.325 1.00 10.99 ? 147 PHE B CG  1 
ATOM   1210 C CD1 . PHE A 1 141 ? -24.445 -16.572 -16.690 1.00 11.27 ? 147 PHE B CD1 1 
ATOM   1211 C CD2 . PHE A 1 141 ? -24.886 -14.270 -17.183 1.00 12.01 ? 147 PHE B CD2 1 
ATOM   1212 C CE1 . PHE A 1 141 ? -24.924 -16.933 -17.950 1.00 11.31 ? 147 PHE B CE1 1 
ATOM   1213 C CE2 . PHE A 1 141 ? -25.371 -14.646 -18.428 1.00 11.23 ? 147 PHE B CE2 1 
ATOM   1214 C CZ  . PHE A 1 141 ? -25.430 -15.969 -18.795 1.00 11.04 ? 147 PHE B CZ  1 
ATOM   1215 N N   . TYR A 1 142 ? -21.388 -12.974 -13.620 1.00 12.60 ? 148 TYR B N   1 
ATOM   1216 C CA  . TYR A 1 142 ? -20.737 -12.344 -12.447 1.00 14.29 ? 148 TYR B CA  1 
ATOM   1217 C C   . TYR A 1 142 ? -21.471 -11.084 -12.024 1.00 15.07 ? 148 TYR B C   1 
ATOM   1218 O O   . TYR A 1 142 ? -21.971 -10.293 -12.837 1.00 13.91 ? 148 TYR B O   1 
ATOM   1219 C CB  . TYR A 1 142 ? -19.267 -12.050 -12.693 1.00 13.33 ? 148 TYR B CB  1 
ATOM   1220 C CG  . TYR A 1 142 ? -18.443 -13.285 -12.984 1.00 14.38 ? 148 TYR B CG  1 
ATOM   1221 C CD1 . TYR A 1 142 ? -17.977 -14.087 -11.953 1.00 15.35 ? 148 TYR B CD1 1 
ATOM   1222 C CD2 . TYR A 1 142 ? -18.246 -13.751 -14.272 1.00 15.63 ? 148 TYR B CD2 1 
ATOM   1223 C CE1 . TYR A 1 142 ? -17.304 -15.276 -12.202 1.00 15.76 ? 148 TYR B CE1 1 
ATOM   1224 C CE2 . TYR A 1 142 ? -17.567 -14.934 -14.543 1.00 15.72 ? 148 TYR B CE2 1 
ATOM   1225 C CZ  . TYR A 1 142 ? -17.064 -15.700 -13.502 1.00 15.90 ? 148 TYR B CZ  1 
ATOM   1226 O OH  . TYR A 1 142 ? -16.403 -16.898 -13.746 1.00 18.51 ? 148 TYR B OH  1 
ATOM   1227 N N   . ASN A 1 143 ? -21.494 -10.839 -10.725 1.00 15.65 ? 149 ASN B N   1 
ATOM   1228 C CA  . ASN A 1 143 ? -22.234 -9.703  -10.101 1.00 14.54 ? 149 ASN B CA  1 
ATOM   1229 C C   . ASN A 1 143 ? -21.225 -8.572  -9.894  1.00 14.21 ? 149 ASN B C   1 
ATOM   1230 O O   . ASN A 1 143 ? -20.436 -8.625  -8.883  1.00 16.71 ? 149 ASN B O   1 
ATOM   1231 C CB  . ASN A 1 143 ? -22.856 -10.129 -8.777  1.00 14.88 ? 149 ASN B CB  1 
ATOM   1232 C CG  . ASN A 1 143 ? -23.682 -9.023  -8.122  1.00 15.69 ? 149 ASN B CG  1 
ATOM   1233 O OD1 . ASN A 1 143 ? -23.488 -7.855  -8.459  1.00 17.29 ? 149 ASN B OD1 1 
ATOM   1234 N ND2 . ASN A 1 143 ? -24.590 -9.417  -7.267  1.00 16.22 ? 149 ASN B ND2 1 
ATOM   1235 N N   . ILE A 1 144 ? -21.139 -7.593  -10.777 1.00 16.05 ? 150 ILE B N   1 
ATOM   1236 C CA  . ILE A 1 144 ? -20.048 -6.585  -10.760 1.00 16.59 ? 150 ILE B CA  1 
ATOM   1237 C C   . ILE A 1 144 ? -20.287 -5.687  -9.529  1.00 18.08 ? 150 ILE B C   1 
ATOM   1238 O O   . ILE A 1 144 ? -19.277 -5.222  -8.948  1.00 20.72 ? 150 ILE B O   1 
ATOM   1239 C CB  . ILE A 1 144 ? -20.030 -5.804  -12.076 1.00 17.90 ? 150 ILE B CB  1 
ATOM   1240 C CG1 . ILE A 1 144 ? -19.836 -6.701  -13.312 1.00 19.84 ? 150 ILE B CG1 1 
ATOM   1241 C CG2 . ILE A 1 144 ? -18.976 -4.703  -12.031 1.00 20.71 ? 150 ILE B CG2 1 
ATOM   1242 C CD1 . ILE A 1 144 ? -18.762 -7.749  -13.141 1.00 22.18 ? 150 ILE B CD1 1 
ATOM   1243 N N   . THR A 1 145 ? -21.532 -5.470  -9.135  1.00 18.38 ? 151 THR B N   1 
ATOM   1244 C CA  . THR A 1 145 ? -21.948 -4.651  -7.944  1.00 18.63 ? 151 THR B CA  1 
ATOM   1245 C C   . THR A 1 145 ? -21.354 -5.269  -6.683  1.00 21.56 ? 151 THR B C   1 
ATOM   1246 O O   . THR A 1 145 ? -20.942 -4.494  -5.784  1.00 25.27 ? 151 THR B O   1 
ATOM   1247 C CB  . THR A 1 145 ? -23.480 -4.543  -7.886  1.00 18.68 ? 151 THR B CB  1 
ATOM   1248 O OG1 . THR A 1 145 ? -23.909 -4.066  -9.160  1.00 18.69 ? 151 THR B OG1 1 
ATOM   1249 C CG2 . THR A 1 145 ? -23.943 -3.575  -6.817  1.00 19.52 ? 151 THR B CG2 1 
ATOM   1250 N N   . ASP A 1 146 ? -21.313 -6.591  -6.592  1.00 19.64 ? 152 ASP B N   1 
ATOM   1251 C CA  . ASP A 1 146 ? -20.807 -7.356  -5.413  1.00 21.11 ? 152 ASP B CA  1 
ATOM   1252 C C   . ASP A 1 146 ? -19.398 -7.908  -5.668  1.00 21.80 ? 152 ASP B C   1 
ATOM   1253 O O   . ASP A 1 146 ? -19.213 -9.129  -5.519  1.00 22.96 ? 152 ASP B O   1 
ATOM   1254 C CB  . ASP A 1 146 ? -21.839 -8.385  -5.039  1.00 21.01 ? 152 ASP B CB  1 
ATOM   1255 C CG  . ASP A 1 146 ? -21.457 -9.158  -3.803  1.00 26.71 ? 152 ASP B CG  1 
ATOM   1256 O OD1 . ASP A 1 146 ? -20.988 -8.500  -2.856  1.00 26.00 ? 152 ASP B OD1 1 
ATOM   1257 O OD2 . ASP A 1 146 ? -21.583 -10.397 -3.841  1.00 26.71 ? 152 ASP B OD2 1 
ATOM   1258 N N   . HIS A 1 147 ? -18.462 -7.070  -6.081  1.00 24.21 ? 153 HIS B N   1 
ATOM   1259 C CA  . HIS A 1 147 ? -17.020 -7.426  -6.142  1.00 26.03 ? 153 HIS B CA  1 
ATOM   1260 C C   . HIS A 1 147 ? -16.826 -8.586  -7.127  1.00 26.13 ? 153 HIS B C   1 
ATOM   1261 O O   . HIS A 1 147 ? -15.903 -9.377  -6.956  1.00 28.40 ? 153 HIS B O   1 
ATOM   1262 C CB  . HIS A 1 147 ? -16.467 -7.863  -4.770  1.00 32.32 ? 153 HIS B CB  1 
ATOM   1263 C CG  . HIS A 1 147 ? -16.719 -6.950  -3.609  1.00 40.83 ? 153 HIS B CG  1 
ATOM   1264 N ND1 . HIS A 1 147 ? -16.056 -5.742  -3.452  1.00 48.52 ? 153 HIS B ND1 1 
ATOM   1265 C CD2 . HIS A 1 147 ? -17.494 -7.107  -2.511  1.00 44.57 ? 153 HIS B CD2 1 
ATOM   1266 C CE1 . HIS A 1 147 ? -16.448 -5.170  -2.328  1.00 48.97 ? 153 HIS B CE1 1 
ATOM   1267 N NE2 . HIS A 1 147 ? -17.328 -5.991  -1.729  1.00 48.07 ? 153 HIS B NE2 1 
ATOM   1268 N N   . GLY A 1 148 ? -17.682 -8.721  -8.136  1.00 21.65 ? 154 GLY B N   1 
ATOM   1269 C CA  . GLY A 1 148 ? -17.450 -9.770  -9.157  1.00 19.27 ? 154 GLY B CA  1 
ATOM   1270 C C   . GLY A 1 148 ? -17.898 -11.149 -8.717  1.00 17.35 ? 154 GLY B C   1 
ATOM   1271 O O   . GLY A 1 148 ? -17.389 -12.101 -9.306  1.00 17.73 ? 154 GLY B O   1 
ATOM   1272 N N   . SER A 1 149 ? -18.730 -11.286 -7.707  1.00 16.89 ? 155 SER B N   1 
ATOM   1273 C CA  . SER A 1 149 ? -19.107 -12.613 -7.169  1.00 15.51 ? 155 SER B CA  1 
ATOM   1274 C C   . SER A 1 149 ? -19.785 -13.475 -8.244  1.00 15.73 ? 155 SER B C   1 
ATOM   1275 O O   . SER A 1 149 ? -20.577 -12.954 -9.077  1.00 16.15 ? 155 SER B O   1 
ATOM   1276 C CB  . SER A 1 149 ? -19.964 -12.504 -5.937  1.00 16.27 ? 155 SER B CB  1 
ATOM   1277 O OG  . SER A 1 149 ? -21.158 -11.771 -6.118  1.00 17.23 ? 155 SER B OG  1 
ATOM   1278 N N   . LEU A 1 150 ? -19.573 -14.764 -8.218  1.00 15.05 ? 156 LEU B N   1 
ATOM   1279 C CA  . LEU A 1 150 ? -20.247 -15.647 -9.211  1.00 13.14 ? 156 LEU B CA  1 
ATOM   1280 C C   . LEU A 1 150 ? -21.749 -15.705 -8.971  1.00 13.81 ? 156 LEU B C   1 
ATOM   1281 O O   . LEU A 1 150 ? -22.250 -15.933 -7.828  1.00 14.47 ? 156 LEU B O   1 
ATOM   1282 C CB  . LEU A 1 150 ? -19.665 -17.069 -9.103  1.00 13.56 ? 156 LEU B CB  1 
ATOM   1283 C CG  . LEU A 1 150 ? -20.240 -18.142 -10.048 1.00 13.81 ? 156 LEU B CG  1 
ATOM   1284 C CD1 . LEU A 1 150 ? -19.825 -17.856 -11.474 1.00 14.74 ? 156 LEU B CD1 1 
ATOM   1285 C CD2 . LEU A 1 150 ? -19.686 -19.548 -9.648  1.00 15.19 ? 156 LEU B CD2 1 
ATOM   1286 N N   . ILE A 1 151 ? -22.506 -15.597 -10.085 1.00 12.36 ? 157 ILE B N   1 
ATOM   1287 C CA  . ILE A 1 151 ? -23.951 -15.808 -10.106 1.00 13.41 ? 157 ILE B CA  1 
ATOM   1288 C C   . ILE A 1 151 ? -24.309 -17.215 -10.560 1.00 12.03 ? 157 ILE B C   1 
ATOM   1289 O O   . ILE A 1 151 ? -25.145 -17.907 -9.956  1.00 12.56 ? 157 ILE B O   1 
ATOM   1290 C CB  . ILE A 1 151 ? -24.619 -14.724 -10.981 1.00 12.37 ? 157 ILE B CB  1 
ATOM   1291 C CG1 . ILE A 1 151 ? -24.422 -13.339 -10.398 1.00 13.22 ? 157 ILE B CG1 1 
ATOM   1292 C CG2 . ILE A 1 151 ? -26.100 -15.036 -11.163 1.00 12.23 ? 157 ILE B CG2 1 
ATOM   1293 C CD1 . ILE A 1 151 ? -24.918 -12.228 -11.328 1.00 14.69 ? 157 ILE B CD1 1 
ATOM   1294 N N   . TYR A 1 152 ? -23.731 -17.648 -11.690 1.00 12.02 ? 158 TYR B N   1 
ATOM   1295 C CA  . TYR A 1 152 ? -24.147 -18.943 -12.285 1.00 11.28 ? 158 TYR B CA  1 
ATOM   1296 C C   . TYR A 1 152 ? -23.111 -19.334 -13.336 1.00 11.83 ? 158 TYR B C   1 
ATOM   1297 O O   . TYR A 1 152 ? -22.602 -18.452 -14.056 1.00 11.89 ? 158 TYR B O   1 
ATOM   1298 C CB  . TYR A 1 152 ? -25.515 -18.846 -13.013 1.00 11.85 ? 158 TYR B CB  1 
ATOM   1299 C CG  . TYR A 1 152 ? -26.075 -20.185 -13.350 1.00 11.68 ? 158 TYR B CG  1 
ATOM   1300 C CD1 . TYR A 1 152 ? -26.678 -21.001 -12.398 1.00 12.63 ? 158 TYR B CD1 1 
ATOM   1301 C CD2 . TYR A 1 152 ? -25.935 -20.717 -14.630 1.00 11.14 ? 158 TYR B CD2 1 
ATOM   1302 C CE1 . TYR A 1 152 ? -27.136 -22.267 -12.725 1.00 13.30 ? 158 TYR B CE1 1 
ATOM   1303 C CE2 . TYR A 1 152 ? -26.393 -21.962 -14.957 1.00 11.42 ? 158 TYR B CE2 1 
ATOM   1304 C CZ  . TYR A 1 152 ? -26.950 -22.768 -13.995 1.00 13.19 ? 158 TYR B CZ  1 
ATOM   1305 O OH  . TYR A 1 152 ? -27.373 -24.038 -14.262 1.00 15.79 ? 158 TYR B OH  1 
ATOM   1306 N N   . THR A 1 153 ? -22.819 -20.638 -13.435 1.00 11.60 ? 159 THR B N   1 
ATOM   1307 C CA  . THR A 1 153 ? -21.986 -21.227 -14.502 1.00 12.48 ? 159 THR B CA  1 
ATOM   1308 C C   . THR A 1 153 ? -22.770 -22.342 -15.178 1.00 11.94 ? 159 THR B C   1 
ATOM   1309 O O   . THR A 1 153 ? -23.172 -23.329 -14.543 1.00 13.29 ? 159 THR B O   1 
ATOM   1310 C CB  . THR A 1 153 ? -20.664 -21.797 -13.937 1.00 12.54 ? 159 THR B CB  1 
ATOM   1311 O OG1 . THR A 1 153 ? -19.887 -20.666 -13.552 1.00 12.73 ? 159 THR B OG1 1 
ATOM   1312 C CG2 . THR A 1 153 ? -19.926 -22.617 -14.980 1.00 14.20 ? 159 THR B CG2 1 
ATOM   1313 N N   . PHE A 1 154 ? -22.968 -22.189 -16.498 1.00 12.09 ? 160 PHE B N   1 
ATOM   1314 C CA  . PHE A 1 154 ? -23.341 -23.299 -17.403 1.00 12.32 ? 160 PHE B CA  1 
ATOM   1315 C C   . PHE A 1 154 ? -22.039 -23.985 -17.840 1.00 12.37 ? 160 PHE B C   1 
ATOM   1316 O O   . PHE A 1 154 ? -21.184 -23.318 -18.368 1.00 12.22 ? 160 PHE B O   1 
ATOM   1317 C CB  . PHE A 1 154 ? -24.035 -22.805 -18.676 1.00 12.23 ? 160 PHE B CB  1 
ATOM   1318 C CG  . PHE A 1 154 ? -25.406 -22.195 -18.502 1.00 10.87 ? 160 PHE B CG  1 
ATOM   1319 C CD1 . PHE A 1 154 ? -25.569 -20.833 -18.260 1.00 10.82 ? 160 PHE B CD1 1 
ATOM   1320 C CD2 . PHE A 1 154 ? -26.528 -22.955 -18.720 1.00 10.90 ? 160 PHE B CD2 1 
ATOM   1321 C CE1 . PHE A 1 154 ? -26.834 -20.276 -18.170 1.00 11.18 ? 160 PHE B CE1 1 
ATOM   1322 C CE2 . PHE A 1 154 ? -27.804 -22.382 -18.611 1.00 11.13 ? 160 PHE B CE2 1 
ATOM   1323 C CZ  . PHE A 1 154 ? -27.931 -21.042 -18.368 1.00 10.53 ? 160 PHE B CZ  1 
ATOM   1324 N N   . SER A 1 155 ? -21.948 -25.275 -17.558 1.00 14.55 ? 161 SER B N   1 
ATOM   1325 C CA  . SER A 1 155 ? -20.820 -26.070 -18.039 1.00 14.55 ? 161 SER B CA  1 
ATOM   1326 C C   . SER A 1 155 ? -21.327 -27.224 -18.894 1.00 14.94 ? 161 SER B C   1 
ATOM   1327 O O   . SER A 1 155 ? -22.516 -27.497 -18.981 1.00 16.77 ? 161 SER B O   1 
ATOM   1328 C CB  . SER A 1 155 ? -19.992 -26.493 -16.852 1.00 17.21 ? 161 SER B CB  1 
ATOM   1329 O OG  . SER A 1 155 ? -20.613 -27.480 -16.090 1.00 20.16 ? 161 SER B OG  1 
ATOM   1330 N N   . GLU A 1 156 ? -20.386 -27.900 -19.571 1.00 18.01 ? 162 GLU B N   1 
ATOM   1331 C CA  . GLU A 1 156 ? -20.756 -28.968 -20.540 1.00 19.58 ? 162 GLU B CA  1 
ATOM   1332 C C   . GLU A 1 156 ? -21.693 -28.402 -21.604 1.00 18.35 ? 162 GLU B C   1 
ATOM   1333 O O   . GLU A 1 156 ? -22.585 -29.128 -22.094 1.00 19.74 ? 162 GLU B O   1 
ATOM   1334 C CB  . GLU A 1 156 ? -21.444 -30.142 -19.838 1.00 23.15 ? 162 GLU B CB  1 
ATOM   1335 C CG  . GLU A 1 156 ? -20.714 -30.668 -18.620 1.00 28.65 ? 162 GLU B CG  1 
ATOM   1336 C CD  . GLU A 1 156 ? -21.399 -31.953 -18.204 1.00 39.82 ? 162 GLU B CD  1 
ATOM   1337 O OE1 . GLU A 1 156 ? -22.452 -31.876 -17.525 1.00 45.16 ? 162 GLU B OE1 1 
ATOM   1338 O OE2 . GLU A 1 156 ? -20.963 -33.020 -18.681 1.00 44.64 ? 162 GLU B OE2 1 
ATOM   1339 N N   . CYS A 1 157 ? -21.442 -27.156 -22.015 1.00 16.50 ? 163 CYS B N   1 
ATOM   1340 C CA  . CYS A 1 157 ? -22.342 -26.516 -22.997 1.00 14.66 ? 163 CYS B CA  1 
ATOM   1341 C C   . CYS A 1 157 ? -22.115 -27.155 -24.373 1.00 16.08 ? 163 CYS B C   1 
ATOM   1342 O O   . CYS A 1 157 ? -20.911 -27.378 -24.731 1.00 17.97 ? 163 CYS B O   1 
ATOM   1343 C CB  . CYS A 1 157 ? -22.146 -25.008 -23.126 1.00 14.08 ? 163 CYS B CB  1 
ATOM   1344 S SG  . CYS A 1 157 ? -22.538 -24.069 -21.619 1.00 14.61 ? 163 CYS B SG  1 
ATOM   1345 N N   . VAL A 1 158 ? -23.187 -27.376 -25.105 1.00 15.20 ? 164 VAL B N   1 
ATOM   1346 C CA  . VAL A 1 158 ? -23.049 -27.929 -26.473 1.00 17.00 ? 164 VAL B CA  1 
ATOM   1347 C C   . VAL A 1 158 ? -23.496 -26.783 -27.378 1.00 15.48 ? 164 VAL B C   1 
ATOM   1348 O O   . VAL A 1 158 ? -24.670 -26.659 -27.757 1.00 18.42 ? 164 VAL B O   1 
ATOM   1349 C CB  . VAL A 1 158 ? -23.826 -29.266 -26.598 1.00 19.35 ? 164 VAL B CB  1 
ATOM   1350 C CG1 . VAL A 1 158 ? -23.682 -29.757 -28.044 1.00 20.92 ? 164 VAL B CG1 1 
ATOM   1351 C CG2 . VAL A 1 158 ? -23.318 -30.312 -25.615 1.00 21.77 ? 164 VAL B CG2 1 
ATOM   1352 N N   . PHE A 1 159 ? -22.588 -25.862 -27.708 1.00 13.97 ? 165 PHE B N   1 
ATOM   1353 C CA  . PHE A 1 159 ? -22.888 -24.628 -28.456 1.00 14.76 ? 165 PHE B CA  1 
ATOM   1354 C C   . PHE A 1 159 ? -23.460 -24.985 -29.819 1.00 17.26 ? 165 PHE B C   1 
ATOM   1355 O O   . PHE A 1 159 ? -24.477 -24.409 -30.233 1.00 16.88 ? 165 PHE B O   1 
ATOM   1356 C CB  . PHE A 1 159 ? -21.706 -23.678 -28.465 1.00 14.76 ? 165 PHE B CB  1 
ATOM   1357 C CG  . PHE A 1 159 ? -21.262 -23.188 -27.097 1.00 13.14 ? 165 PHE B CG  1 
ATOM   1358 C CD1 . PHE A 1 159 ? -22.216 -22.687 -26.212 1.00 13.48 ? 165 PHE B CD1 1 
ATOM   1359 C CD2 . PHE A 1 159 ? -19.933 -23.185 -26.706 1.00 14.42 ? 165 PHE B CD2 1 
ATOM   1360 C CE1 . PHE A 1 159 ? -21.822 -22.212 -24.970 1.00 14.40 ? 165 PHE B CE1 1 
ATOM   1361 C CE2 . PHE A 1 159 ? -19.535 -22.702 -25.465 1.00 14.48 ? 165 PHE B CE2 1 
ATOM   1362 C CZ  . PHE A 1 159 ? -20.498 -22.182 -24.612 1.00 13.99 ? 165 PHE B CZ  1 
ATOM   1363 N N   . ALA A 1 160 ? -22.775 -25.874 -30.521 1.00 15.75 ? 166 ALA B N   1 
ATOM   1364 C CA  . ALA A 1 160 ? -23.243 -26.444 -31.806 1.00 16.29 ? 166 ALA B CA  1 
ATOM   1365 C C   . ALA A 1 160 ? -23.354 -25.386 -32.898 1.00 15.73 ? 166 ALA B C   1 
ATOM   1366 O O   . ALA A 1 160 ? -24.193 -25.583 -33.830 1.00 17.36 ? 166 ALA B O   1 
ATOM   1367 C CB  . ALA A 1 160 ? -24.519 -27.204 -31.641 1.00 17.08 ? 166 ALA B CB  1 
ATOM   1368 N N   . GLY A 1 161 ? -22.572 -24.346 -32.831 1.00 17.11 ? 167 GLY B N   1 
ATOM   1369 C CA  . GLY A 1 161 ? -22.557 -23.268 -33.831 1.00 17.04 ? 167 GLY B CA  1 
ATOM   1370 C C   . GLY A 1 161 ? -21.921 -22.001 -33.306 1.00 15.40 ? 167 GLY B C   1 
ATOM   1371 O O   . GLY A 1 161 ? -21.476 -21.949 -32.133 1.00 15.42 ? 167 GLY B O   1 
ATOM   1372 N N   . PRO A 1 162 ? -21.807 -20.981 -34.139 1.00 14.38 ? 168 PRO B N   1 
ATOM   1373 C CA  . PRO A 1 162 ? -21.311 -19.686 -33.704 1.00 13.38 ? 168 PRO B CA  1 
ATOM   1374 C C   . PRO A 1 162 ? -22.251 -19.120 -32.632 1.00 13.63 ? 168 PRO B C   1 
ATOM   1375 O O   . PRO A 1 162 ? -23.453 -19.353 -32.692 1.00 14.41 ? 168 PRO B O   1 
ATOM   1376 C CB  . PRO A 1 162 ? -21.287 -18.780 -34.939 1.00 14.15 ? 168 PRO B CB  1 
ATOM   1377 C CG  . PRO A 1 162 ? -21.456 -19.821 -36.088 1.00 14.30 ? 168 PRO B CG  1 
ATOM   1378 C CD  . PRO A 1 162 ? -22.228 -20.957 -35.550 1.00 14.31 ? 168 PRO B CD  1 
ATOM   1379 N N   . LEU A 1 163 ? -21.658 -18.366 -31.716 1.00 12.99 ? 169 LEU B N   1 
ATOM   1380 C CA  . LEU A 1 163 ? -22.454 -17.724 -30.618 1.00 12.52 ? 169 LEU B CA  1 
ATOM   1381 C C   . LEU A 1 163 ? -22.574 -16.233 -30.886 1.00 14.05 ? 169 LEU B C   1 
ATOM   1382 O O   . LEU A 1 163 ? -21.617 -15.600 -31.341 1.00 14.45 ? 169 LEU B O   1 
ATOM   1383 C CB  . LEU A 1 163 ? -21.763 -17.949 -29.274 1.00 13.97 ? 169 LEU B CB  1 
ATOM   1384 C CG  . LEU A 1 163 ? -21.791 -19.374 -28.712 1.00 14.72 ? 169 LEU B CG  1 
ATOM   1385 C CD1 . LEU A 1 163 ? -20.965 -19.416 -27.458 1.00 15.36 ? 169 LEU B CD1 1 
ATOM   1386 C CD2 . LEU A 1 163 ? -23.231 -19.874 -28.480 1.00 15.70 ? 169 LEU B CD2 1 
ATOM   1387 N N   . ARG A 1 164 ? -23.701 -15.678 -30.456 1.00 13.79 ? 170 ARG B N   1 
ATOM   1388 C CA  . ARG A 1 164 ? -23.927 -14.220 -30.450 1.00 13.02 ? 170 ARG B CA  1 
ATOM   1389 C C   . ARG A 1 164 ? -24.347 -13.720 -29.064 1.00 11.12 ? 170 ARG B C   1 
ATOM   1390 O O   . ARG A 1 164 ? -25.091 -14.410 -28.377 1.00 11.84 ? 170 ARG B O   1 
ATOM   1391 C CB  . ARG A 1 164 ? -24.996 -13.833 -31.473 1.00 14.38 ? 170 ARG B CB  1 
ATOM   1392 C CG  . ARG A 1 164 ? -24.512 -14.249 -32.875 1.00 17.70 ? 170 ARG B CG  1 
ATOM   1393 C CD  . ARG A 1 164 ? -25.389 -13.878 -34.017 1.00 20.10 ? 170 ARG B CD  1 
ATOM   1394 N NE  . ARG A 1 164 ? -25.441 -12.434 -34.125 1.00 19.12 ? 170 ARG B NE  1 
ATOM   1395 C CZ  . ARG A 1 164 ? -26.161 -11.814 -35.053 1.00 19.57 ? 170 ARG B CZ  1 
ATOM   1396 N NH1 . ARG A 1 164 ? -26.790 -12.509 -35.974 1.00 19.54 ? 170 ARG B NH1 1 
ATOM   1397 N NH2 . ARG A 1 164 ? -26.207 -10.496 -35.065 1.00 17.21 ? 170 ARG B NH2 1 
ATOM   1398 N N   . PRO A 1 165 ? -23.860 -12.551 -28.632 1.00 11.10 ? 171 PRO B N   1 
ATOM   1399 C CA  . PRO A 1 165 ? -24.420 -11.936 -27.411 1.00 11.51 ? 171 PRO B CA  1 
ATOM   1400 C C   . PRO A 1 165 ? -25.935 -11.747 -27.564 1.00 10.51 ? 171 PRO B C   1 
ATOM   1401 O O   . PRO A 1 165 ? -26.445 -11.447 -28.641 1.00 11.56 ? 171 PRO B O   1 
ATOM   1402 C CB  . PRO A 1 165 ? -23.706 -10.589 -27.305 1.00 11.62 ? 171 PRO B CB  1 
ATOM   1403 C CG  . PRO A 1 165 ? -22.425 -10.780 -28.169 1.00 12.47 ? 171 PRO B CG  1 
ATOM   1404 C CD  . PRO A 1 165 ? -22.898 -11.658 -29.293 1.00 13.26 ? 171 PRO B CD  1 
ATOM   1405 N N   . PHE A 1 166 ? -26.662 -12.044 -26.481 1.00 10.66 ? 172 PHE B N   1 
ATOM   1406 C CA  . PHE A 1 166 ? -28.143 -12.071 -26.468 1.00 11.24 ? 172 PHE B CA  1 
ATOM   1407 C C   . PHE A 1 166 ? -28.669 -11.134 -25.367 1.00 10.19 ? 172 PHE B C   1 
ATOM   1408 O O   . PHE A 1 166 ? -28.161 -11.132 -24.228 1.00 10.45 ? 172 PHE B O   1 
ATOM   1409 C CB  . PHE A 1 166 ? -28.623 -13.491 -26.197 1.00 11.43 ? 172 PHE B CB  1 
ATOM   1410 C CG  . PHE A 1 166 ? -30.124 -13.613 -26.006 1.00 11.61 ? 172 PHE B CG  1 
ATOM   1411 C CD1 . PHE A 1 166 ? -30.980 -13.584 -27.097 1.00 12.27 ? 172 PHE B CD1 1 
ATOM   1412 C CD2 . PHE A 1 166 ? -30.690 -13.612 -24.741 1.00 12.48 ? 172 PHE B CD2 1 
ATOM   1413 C CE1 . PHE A 1 166 ? -32.355 -13.630 -26.932 1.00 12.54 ? 172 PHE B CE1 1 
ATOM   1414 C CE2 . PHE A 1 166 ? -32.071 -13.633 -24.591 1.00 11.61 ? 172 PHE B CE2 1 
ATOM   1415 C CZ  . PHE A 1 166 ? -32.896 -13.662 -25.685 1.00 12.34 ? 172 PHE B CZ  1 
ATOM   1416 N N   . PHE A 1 167 ? -29.729 -10.380 -25.709 1.00 10.54 ? 173 PHE B N   1 
ATOM   1417 C CA  . PHE A 1 167 ? -30.345 -9.359  -24.829 1.00 10.52 ? 173 PHE B CA  1 
ATOM   1418 C C   . PHE A 1 167 ? -31.860 -9.429  -24.939 1.00 12.17 ? 173 PHE B C   1 
ATOM   1419 O O   . PHE A 1 167 ? -32.377 -9.508  -26.062 1.00 11.29 ? 173 PHE B O   1 
ATOM   1420 C CB  . PHE A 1 167 ? -29.877 -7.944  -25.217 1.00 11.18 ? 173 PHE B CB  1 
ATOM   1421 C CG  . PHE A 1 167 ? -28.375 -7.790  -25.323 1.00 10.71 ? 173 PHE B CG  1 
ATOM   1422 C CD1 . PHE A 1 167 ? -27.740 -8.117  -26.507 1.00 10.93 ? 173 PHE B CD1 1 
ATOM   1423 C CD2 . PHE A 1 167 ? -27.601 -7.334  -24.264 1.00 12.99 ? 173 PHE B CD2 1 
ATOM   1424 C CE1 . PHE A 1 167 ? -26.357 -8.050  -26.621 1.00 10.82 ? 173 PHE B CE1 1 
ATOM   1425 C CE2 . PHE A 1 167 ? -26.233 -7.220  -24.401 1.00 12.74 ? 173 PHE B CE2 1 
ATOM   1426 C CZ  . PHE A 1 167 ? -25.614 -7.577  -25.578 1.00 13.08 ? 173 PHE B CZ  1 
ATOM   1427 N N   . ASN A 1 168 ? -32.532 -9.258  -23.798 1.00 11.40 ? 174 ASN B N   1 
ATOM   1428 C CA  . ASN A 1 168 ? -33.986 -8.987  -23.761 1.00 10.25 ? 174 ASN B CA  1 
ATOM   1429 C C   . ASN A 1 168 ? -34.184 -7.847  -22.765 1.00 10.64 ? 174 ASN B C   1 
ATOM   1430 O O   . ASN A 1 168 ? -33.851 -7.995  -21.588 1.00 11.27 ? 174 ASN B O   1 
ATOM   1431 C CB  . ASN A 1 168 ? -34.743 -10.241 -23.329 1.00 11.17 ? 174 ASN B CB  1 
ATOM   1432 C CG  . ASN A 1 168 ? -36.238 -10.050 -23.405 1.00 12.66 ? 174 ASN B CG  1 
ATOM   1433 O OD1 . ASN A 1 168 ? -36.767 -8.987  -23.701 1.00 13.39 ? 174 ASN B OD1 1 
ATOM   1434 N ND2 . ASN A 1 168 ? -36.993 -11.115 -23.168 1.00 14.02 ? 174 ASN B ND2 1 
ATOM   1435 N N   . VAL A 1 169 ? -34.742 -6.718  -23.247 1.00 11.18 ? 175 VAL B N   1 
ATOM   1436 C CA  . VAL A 1 169 ? -34.986 -5.556  -22.356 1.00 11.34 ? 175 VAL B CA  1 
ATOM   1437 C C   . VAL A 1 169 ? -36.210 -5.793  -21.475 1.00 11.60 ? 175 VAL B C   1 
ATOM   1438 O O   . VAL A 1 169 ? -36.426 -4.976  -20.548 1.00 12.28 ? 175 VAL B O   1 
ATOM   1439 C CB  . VAL A 1 169 ? -35.105 -4.209  -23.110 1.00 12.41 ? 175 VAL B CB  1 
ATOM   1440 C CG1 . VAL A 1 169 ? -33.857 -3.870  -23.884 1.00 12.98 ? 175 VAL B CG1 1 
ATOM   1441 C CG2 . VAL A 1 169 ? -36.288 -4.184  -24.043 1.00 12.42 ? 175 VAL B CG2 1 
ATOM   1442 N N   . GLY A 1 170 ? -36.997 -6.816  -21.797 1.00 11.81 ? 176 GLY B N   1 
ATOM   1443 C CA  . GLY A 1 170 ? -38.258 -7.106  -21.078 1.00 13.62 ? 176 GLY B CA  1 
ATOM   1444 C C   . GLY A 1 170 ? -39.392 -6.205  -21.481 1.00 13.84 ? 176 GLY B C   1 
ATOM   1445 O O   . GLY A 1 170 ? -39.196 -5.133  -22.071 1.00 12.80 ? 176 GLY B O   1 
ATOM   1446 N N   . PHE A 1 171 ? -40.594 -6.666  -21.135 0.42 15.04 ? 177 PHE B N   1 
ATOM   1447 C CA  . PHE A 1 171 ? -41.871 -5.938  -21.324 0.42 14.89 ? 177 PHE B CA  1 
ATOM   1448 C C   . PHE A 1 171 ? -41.906 -4.718  -20.399 0.42 14.32 ? 177 PHE B C   1 
ATOM   1449 O O   . PHE A 1 171 ? -41.181 -4.718  -19.384 0.42 14.72 ? 177 PHE B O   1 
ATOM   1450 C CB  . PHE A 1 171 ? -43.043 -6.892  -21.076 0.42 16.24 ? 177 PHE B CB  1 
ATOM   1451 C CG  . PHE A 1 171 ? -43.152 -8.037  -22.055 0.42 17.53 ? 177 PHE B CG  1 
ATOM   1452 C CD1 . PHE A 1 171 ? -43.382 -7.795  -23.398 0.42 19.31 ? 177 PHE B CD1 1 
ATOM   1453 C CD2 . PHE A 1 171 ? -43.061 -9.358  -21.640 0.42 19.80 ? 177 PHE B CD2 1 
ATOM   1454 C CE1 . PHE A 1 171 ? -43.509 -8.839  -24.303 0.42 19.71 ? 177 PHE B CE1 1 
ATOM   1455 C CE2 . PHE A 1 171 ? -43.180 -10.403 -22.549 0.42 19.53 ? 177 PHE B CE2 1 
ATOM   1456 C CZ  . PHE A 1 171 ? -43.400 -10.139 -23.879 0.42 19.82 ? 177 PHE B CZ  1 
ATOM   1457 N N   . ASN A 1 172 ? -42.738 -3.726  -20.728 1.00 14.00 ? 178 ASN B N   1 
ATOM   1458 C CA  . ASN A 1 172 ? -42.929 -2.598  -19.803 1.00 13.33 ? 178 ASN B CA  1 
ATOM   1459 C C   . ASN A 1 172 ? -44.426 -2.395  -19.602 1.00 13.51 ? 178 ASN B C   1 
ATOM   1460 O O   . ASN A 1 172 ? -44.922 -1.257  -19.661 1.00 15.18 ? 178 ASN B O   1 
ATOM   1461 C CB  . ASN A 1 172 ? -42.257 -1.346  -20.312 1.00 13.72 ? 178 ASN B CB  1 
ATOM   1462 C CG  . ASN A 1 172 ? -42.311 -0.213  -19.313 1.00 14.58 ? 178 ASN B CG  1 
ATOM   1463 O OD1 . ASN A 1 172 ? -42.299 -0.433  -18.106 1.00 13.64 ? 178 ASN B OD1 1 
ATOM   1464 N ND2 . ASN A 1 172 ? -42.284 1.014   -19.807 1.00 16.73 ? 178 ASN B ND2 1 
ATOM   1465 N N   . TYR A 1 173 ? -45.129 -3.470  -19.296 0.42 13.71 ? 179 TYR B N   1 
ATOM   1466 C CA  . TYR A 1 173 ? -46.575 -3.405  -18.970 0.42 14.30 ? 179 TYR B CA  1 
ATOM   1467 C C   . TYR A 1 173 ? -46.765 -2.543  -17.715 0.42 14.69 ? 179 TYR B C   1 
ATOM   1468 O O   . TYR A 1 173 ? -47.745 -1.737  -17.763 0.42 15.39 ? 179 TYR B O   1 
ATOM   1469 C CB  . TYR A 1 173 ? -47.143 -4.825  -18.912 0.42 15.13 ? 179 TYR B CB  1 
ATOM   1470 C CG  . TYR A 1 173 ? -47.133 -5.553  -20.235 0.42 16.32 ? 179 TYR B CG  1 
ATOM   1471 C CD1 . TYR A 1 173 ? -47.614 -4.953  -21.392 0.42 17.87 ? 179 TYR B CD1 1 
ATOM   1472 C CD2 . TYR A 1 173 ? -46.669 -6.851  -20.332 0.42 17.49 ? 179 TYR B CD2 1 
ATOM   1473 C CE1 . TYR A 1 173 ? -47.636 -5.623  -22.606 0.42 17.82 ? 179 TYR B CE1 1 
ATOM   1474 C CE2 . TYR A 1 173 ? -46.667 -7.528  -21.544 0.42 16.43 ? 179 TYR B CE2 1 
ATOM   1475 C CZ  . TYR A 1 173 ? -47.158 -6.915  -22.683 0.42 18.09 ? 179 TYR B CZ  1 
ATOM   1476 O OH  . TYR A 1 173 ? -47.158 -7.598  -23.866 0.42 20.60 ? 179 TYR B OH  1 
ATOM   1477 N N   . SER A 1 174 ? -45.849 -2.615  -16.730 1.00 14.05 ? 180 SER B N   1 
ATOM   1478 C CA  . SER A 1 174 ? -45.961 -1.981  -15.391 1.00 15.54 ? 180 SER B CA  1 
ATOM   1479 C C   . SER A 1 174 ? -45.656 -0.485  -15.450 1.00 13.72 ? 180 SER B C   1 
ATOM   1480 O O   . SER A 1 174 ? -45.966 0.201   -14.435 1.00 16.01 ? 180 SER B O   1 
ATOM   1481 C CB  . SER A 1 174 ? -45.015 -2.607  -14.392 1.00 14.95 ? 180 SER B CB  1 
ATOM   1482 O OG  . SER A 1 174 ? -43.645 -2.383  -14.831 1.00 15.93 ? 180 SER B OG  1 
ATOM   1483 N N   . GLY A 1 175 ? -45.011 -0.001  -16.502 1.00 12.64 ? 181 GLY B N   1 
ATOM   1484 C CA  . GLY A 1 175 ? -44.440 1.349   -16.458 1.00 13.22 ? 181 GLY B CA  1 
ATOM   1485 C C   . GLY A 1 175 ? -43.203 1.470   -15.613 1.00 14.54 ? 181 GLY B C   1 
ATOM   1486 O O   . GLY A 1 175 ? -42.669 2.604   -15.526 1.00 16.67 ? 181 GLY B O   1 
ATOM   1487 N N   . GLY A 1 176 ? -42.699 0.404   -14.995 1.00 13.48 ? 182 GLY B N   1 
ATOM   1488 C CA  . GLY A 1 176 ? -41.516 0.443   -14.137 1.00 13.17 ? 182 GLY B CA  1 
ATOM   1489 C C   . GLY A 1 176 ? -40.267 -0.141  -14.800 1.00 13.83 ? 182 GLY B C   1 
ATOM   1490 O O   . GLY A 1 176 ? -39.213 -0.188  -14.105 1.00 16.22 ? 182 GLY B O   1 
ATOM   1491 N N   . ASN A 1 177 ? -40.352 -0.549  -16.058 1.00 11.48 ? 183 ASN B N   1 
ATOM   1492 C CA  . ASN A 1 177 ? -39.235 -1.256  -16.720 1.00 11.34 ? 183 ASN B CA  1 
ATOM   1493 C C   . ASN A 1 177 ? -38.803 -0.544  -18.009 1.00 12.44 ? 183 ASN B C   1 
ATOM   1494 O O   . ASN A 1 177 ? -38.236 -1.225  -18.889 1.00 12.45 ? 183 ASN B O   1 
ATOM   1495 C CB  . ASN A 1 177 ? -39.582 -2.708  -17.020 1.00 11.77 ? 183 ASN B CB  1 
ATOM   1496 C CG  . ASN A 1 177 ? -38.362 -3.546  -17.328 1.00 11.92 ? 183 ASN B CG  1 
ATOM   1497 O OD1 . ASN A 1 177 ? -37.337 -3.340  -16.695 1.00 12.64 ? 183 ASN B OD1 1 
ATOM   1498 N ND2 . ASN A 1 177 ? -38.537 -4.485  -18.238 1.00 12.47 ? 183 ASN B ND2 1 
ATOM   1499 N N   . ALA A 1 178 ? -38.877 0.782   -18.079 1.00 12.21 ? 184 ALA B N   1 
ATOM   1500 C CA  . ALA A 1 178 ? -38.509 1.514   -19.310 1.00 12.57 ? 184 ALA B CA  1 
ATOM   1501 C C   . ALA A 1 178 ? -37.002 1.640   -19.476 1.00 12.91 ? 184 ALA B C   1 
ATOM   1502 O O   . ALA A 1 178 ? -36.555 1.950   -20.593 1.00 14.80 ? 184 ALA B O   1 
ATOM   1503 C CB  . ALA A 1 178 ? -39.136 2.922   -19.289 1.00 13.26 ? 184 ALA B CB  1 
ATOM   1504 N N   . ALA A 1 179 ? -36.245 1.488   -18.412 1.00 13.18 ? 185 ALA B N   1 
ATOM   1505 C CA  . ALA A 1 179 ? -34.796 1.792   -18.476 1.00 13.16 ? 185 ALA B CA  1 
ATOM   1506 C C   . ALA A 1 179 ? -34.073 0.902   -19.486 1.00 12.95 ? 185 ALA B C   1 
ATOM   1507 O O   . ALA A 1 179 ? -34.456 -0.259  -19.738 1.00 13.04 ? 185 ALA B O   1 
ATOM   1508 C CB  . ALA A 1 179 ? -34.162 1.651   -17.125 1.00 13.16 ? 185 ALA B CB  1 
ATOM   1509 N N   . PRO A 1 180 ? -32.991 1.410   -20.081 1.00 12.61 ? 186 PRO B N   1 
ATOM   1510 C CA  . PRO A 1 180 ? -32.253 0.626   -21.075 1.00 12.73 ? 186 PRO B CA  1 
ATOM   1511 C C   . PRO A 1 180 ? -31.331 -0.466  -20.493 1.00 12.07 ? 186 PRO B C   1 
ATOM   1512 O O   . PRO A 1 180 ? -30.985 -0.442  -19.328 1.00 13.07 ? 186 PRO B O   1 
ATOM   1513 C CB  . PRO A 1 180 ? -31.362 1.697   -21.724 1.00 13.68 ? 186 PRO B CB  1 
ATOM   1514 C CG  . PRO A 1 180 ? -31.102 2.677   -20.624 1.00 15.24 ? 186 PRO B CG  1 
ATOM   1515 C CD  . PRO A 1 180 ? -32.443 2.754   -19.882 1.00 14.58 ? 186 PRO B CD  1 
ATOM   1516 N N   . LEU A 1 181 ? -30.962 -1.404  -21.349 1.00 11.93 ? 187 LEU B N   1 
ATOM   1517 C CA  . LEU A 1 181 ? -29.719 -2.189  -21.156 1.00 12.00 ? 187 LEU B CA  1 
ATOM   1518 C C   . LEU A 1 181 ? -28.592 -1.372  -21.779 1.00 13.30 ? 187 LEU B C   1 
ATOM   1519 O O   . LEU A 1 181 ? -28.768 -0.883  -22.918 1.00 14.86 ? 187 LEU B O   1 
ATOM   1520 C CB  . LEU A 1 181 ? -29.865 -3.541  -21.807 1.00 12.32 ? 187 LEU B CB  1 
ATOM   1521 C CG  . LEU A 1 181 ? -30.894 -4.489  -21.186 1.00 13.24 ? 187 LEU B CG  1 
ATOM   1522 C CD1 . LEU A 1 181 ? -31.044 -5.759  -22.004 1.00 14.21 ? 187 LEU B CD1 1 
ATOM   1523 C CD2 . LEU A 1 181 ? -30.544 -4.873  -19.765 1.00 14.95 ? 187 LEU B CD2 1 
ATOM   1524 N N   . LYS A 1 182 ? -27.443 -1.324  -21.116 1.00 12.80 ? 188 LYS B N   1 
ATOM   1525 C CA  . LYS A 1 182 ? -26.278 -0.566  -21.663 1.00 13.55 ? 188 LYS B CA  1 
ATOM   1526 C C   . LYS A 1 182 ? -25.064 -1.470  -21.654 1.00 13.44 ? 188 LYS B C   1 
ATOM   1527 O O   . LYS A 1 182 ? -24.706 -1.978  -20.548 1.00 14.50 ? 188 LYS B O   1 
ATOM   1528 C CB  . LYS A 1 182 ? -25.998 0.730   -20.895 1.00 15.27 ? 188 LYS B CB  1 
ATOM   1529 C CG  . LYS A 1 182 ? -27.162 1.669   -20.677 1.00 18.72 ? 188 LYS B CG  1 
ATOM   1530 C CD  . LYS A 1 182 ? -26.721 2.975   -20.016 1.00 23.26 ? 188 LYS B CD  1 
ATOM   1531 C CE  . LYS A 1 182 ? -27.879 3.847   -19.590 1.00 27.76 ? 188 LYS B CE  1 
ATOM   1532 N NZ  . LYS A 1 182 ? -27.378 5.040   -18.855 1.00 34.37 ? 188 LYS B NZ  1 
ATOM   1533 N N   . LEU A 1 183 ? -24.320 -1.502  -22.736 1.00 13.63 ? 189 LEU B N   1 
ATOM   1534 C CA  . LEU A 1 183 ? -22.982 -2.168  -22.722 1.00 14.45 ? 189 LEU B CA  1 
ATOM   1535 C C   . LEU A 1 183 ? -22.003 -1.225  -22.047 1.00 15.77 ? 189 LEU B C   1 
ATOM   1536 O O   . LEU A 1 183 ? -21.813 -0.110  -22.572 1.00 19.33 ? 189 LEU B O   1 
ATOM   1537 C CB  . LEU A 1 183 ? -22.609 -2.556  -24.155 1.00 14.43 ? 189 LEU B CB  1 
ATOM   1538 C CG  . LEU A 1 183 ? -23.326 -3.819  -24.633 1.00 15.13 ? 189 LEU B CG  1 
ATOM   1539 C CD1 . LEU A 1 183 ? -23.523 -3.923  -26.142 1.00 20.88 ? 189 LEU B CD1 1 
ATOM   1540 C CD2 . LEU A 1 183 ? -22.701 -5.091  -24.046 1.00 14.04 ? 189 LEU B CD2 1 
ATOM   1541 N N   . CYS A 1 184 ? -21.330 -1.690  -20.994 1.00 17.64 ? 190 CYS B N   1 
ATOM   1542 C CA  . CYS A 1 184 ? -20.439 -0.843  -20.159 1.00 19.69 ? 190 CYS B CA  1 
ATOM   1543 C C   . CYS A 1 184 ? -19.087 -0.754  -20.823 1.00 20.71 ? 190 CYS B C   1 
ATOM   1544 O O   . CYS A 1 184 ? -18.619 -1.695  -21.417 1.00 20.57 ? 190 CYS B O   1 
ATOM   1545 C CB  . CYS A 1 184 ? -20.134 -1.503  -18.835 1.00 21.71 ? 190 CYS B CB  1 
ATOM   1546 S SG  . CYS A 1 184 ? -21.578 -2.002  -17.909 1.00 22.24 ? 190 CYS B SG  1 
ATOM   1547 N N   . PRO A 1 185 ? -18.373 0.383   -20.670 1.00 25.80 ? 191 PRO B N   1 
ATOM   1548 C CA  . PRO A 1 185 ? -17.050 0.511   -21.247 1.00 30.86 ? 191 PRO B CA  1 
ATOM   1549 C C   . PRO A 1 185 ? -16.071 -0.431  -20.537 1.00 27.92 ? 191 PRO B C   1 
ATOM   1550 O O   . PRO A 1 185 ? -16.219 -0.695  -19.337 1.00 28.49 ? 191 PRO B O   1 
ATOM   1551 C CB  . PRO A 1 185 ? -16.777 2.021   -21.067 1.00 30.79 ? 191 PRO B CB  1 
ATOM   1552 C CG  . PRO A 1 185 ? -17.552 2.394   -19.844 1.00 31.57 ? 191 PRO B CG  1 
ATOM   1553 C CD  . PRO A 1 185 ? -18.834 1.598   -19.968 1.00 28.53 ? 191 PRO B CD  1 
ATOM   1554 N N   . LEU A 1 186 ? -15.090 -0.871  -21.321 1.00 33.82 ? 192 LEU B N   1 
ATOM   1555 C CA  . LEU A 1 186 ? -13.839 -1.574  -20.954 1.00 38.53 ? 192 LEU B CA  1 
ATOM   1556 C C   . LEU A 1 186 ? -12.973 -0.668  -20.077 1.00 41.97 ? 192 LEU B C   1 
ATOM   1557 O O   . LEU A 1 186 ? -12.299 -1.253  -19.223 1.00 47.99 ? 192 LEU B O   1 
ATOM   1558 C CB  . LEU A 1 186 ? -13.090 -1.902  -22.251 1.00 38.87 ? 192 LEU B CB  1 
HETATM 1559 C C10 . JFM B 2 .   ? -42.699 -6.380  -28.417 0.42 21.40 ? 201 JFM B C10 1 
HETATM 1560 C C13 . JFM B 2 .   ? -45.277 -7.076  -27.570 0.42 21.62 ? 201 JFM B C13 1 
HETATM 1561 C C01 . JFM B 2 .   ? -46.323 -1.858  -22.331 0.42 15.44 ? 201 JFM B C01 1 
HETATM 1562 S S02 . JFM B 2 .   ? -45.102 -2.376  -23.489 0.42 15.46 ? 201 JFM B S02 1 
HETATM 1563 O O03 . JFM B 2 .   ? -43.931 -3.103  -22.992 0.42 16.33 ? 201 JFM B O03 1 
HETATM 1564 O O04 . JFM B 2 .   ? -44.475 -1.199  -24.115 0.42 18.00 ? 201 JFM B O04 1 
HETATM 1565 N N05 . JFM B 2 .   ? -45.844 -3.201  -24.743 0.42 16.54 ? 201 JFM B N05 1 
HETATM 1566 C C06 . JFM B 2 .   ? -44.971 -3.984  -25.624 0.42 17.87 ? 201 JFM B C06 1 
HETATM 1567 C C07 . JFM B 2 .   ? -45.728 -4.723  -26.745 0.42 19.67 ? 201 JFM B C07 1 
HETATM 1568 C C08 . JFM B 2 .   ? -44.818 -5.770  -27.417 0.42 21.03 ? 201 JFM B C08 1 
HETATM 1569 C C09 . JFM B 2 .   ? -43.523 -5.421  -27.832 0.42 21.88 ? 201 JFM B C09 1 
HETATM 1570 C C11 . JFM B 2 .   ? -43.160 -7.688  -28.579 0.42 21.58 ? 201 JFM B C11 1 
HETATM 1571 C C12 . JFM B 2 .   ? -44.448 -8.030  -28.164 0.42 21.48 ? 201 JFM B C12 1 
HETATM 1572 C C1  . EDO C 3 .   ? -50.357 -17.115 -32.917 1.00 46.70 ? 202 EDO B C1  1 
HETATM 1573 O O1  . EDO C 3 .   ? -49.111 -16.455 -32.981 1.00 38.47 ? 202 EDO B O1  1 
HETATM 1574 C C2  . EDO C 3 .   ? -50.850 -17.245 -31.540 1.00 46.48 ? 202 EDO B C2  1 
HETATM 1575 O O2  . EDO C 3 .   ? -51.112 -15.980 -30.982 1.00 51.42 ? 202 EDO B O2  1 
HETATM 1576 S S   . SO4 D 4 .   ? -40.362 -24.603 -26.120 1.00 38.69 ? 203 SO4 B S   1 
HETATM 1577 O O1  . SO4 D 4 .   ? -39.697 -23.616 -26.927 1.00 25.07 ? 203 SO4 B O1  1 
HETATM 1578 O O2  . SO4 D 4 .   ? -41.184 -25.437 -26.946 1.00 43.80 ? 203 SO4 B O2  1 
HETATM 1579 O O3  . SO4 D 4 .   ? -39.339 -25.440 -25.505 1.00 46.44 ? 203 SO4 B O3  1 
HETATM 1580 O O4  . SO4 D 4 .   ? -41.151 -23.989 -25.069 1.00 40.02 ? 203 SO4 B O4  1 
HETATM 1581 O O   . HOH E 5 .   ? -40.099 -1.115  -9.822  1.00 34.65 ? 301 HOH B O   1 
HETATM 1582 O O   . HOH E 5 .   ? -22.637 -1.735  -9.750  1.00 27.94 ? 302 HOH B O   1 
HETATM 1583 O O   . HOH E 5 .   ? -38.494 0.630   -11.946 1.00 39.14 ? 303 HOH B O   1 
HETATM 1584 O O   . HOH E 5 .   ? -38.637 -15.241 -11.569 1.00 32.01 ? 304 HOH B O   1 
HETATM 1585 O O   . HOH E 5 .   ? -36.134 5.451   -15.761 1.00 24.45 ? 305 HOH B O   1 
HETATM 1586 O O   . HOH E 5 .   ? -45.711 3.645   -34.117 1.00 26.92 ? 306 HOH B O   1 
HETATM 1587 O O   . HOH E 5 .   ? -26.941 -28.476 -27.672 1.00 25.34 ? 307 HOH B O   1 
HETATM 1588 O O   . HOH E 5 .   ? -47.045 -16.876 -31.753 1.00 23.15 ? 308 HOH B O   1 
HETATM 1589 O O   . HOH E 5 .   ? -33.744 4.924   -16.696 1.00 45.32 ? 309 HOH B O   1 
HETATM 1590 O O   . HOH E 5 .   ? -13.430 -23.522 -31.431 1.00 17.25 ? 310 HOH B O   1 
HETATM 1591 O O   . HOH E 5 .   ? -38.210 3.815   -41.648 1.00 37.82 ? 311 HOH B O   1 
HETATM 1592 O O   . HOH E 5 .   ? -29.508 -12.472 -37.593 1.00 25.80 ? 312 HOH B O   1 
HETATM 1593 O O   . HOH E 5 .   ? -44.962 7.484   -24.640 1.00 37.86 ? 313 HOH B O   1 
HETATM 1594 O O   . HOH E 5 .   ? -15.527 -5.352  -13.627 1.00 31.45 ? 314 HOH B O   1 
HETATM 1595 O O   . HOH E 5 .   ? -32.944 1.088   -33.448 1.00 20.25 ? 315 HOH B O   1 
HETATM 1596 O O   . HOH E 5 .   ? -49.678 -2.082  -19.403 1.00 36.08 ? 316 HOH B O   1 
HETATM 1597 O O   . HOH E 5 .   ? -18.653 -21.967 -35.624 1.00 19.22 ? 317 HOH B O   1 
HETATM 1598 O O   . HOH E 5 .   ? -26.157 3.492   -35.184 1.00 33.17 ? 318 HOH B O   1 
HETATM 1599 O O   . HOH E 5 .   ? -35.856 -22.393 -19.418 1.00 26.52 ? 319 HOH B O   1 
HETATM 1600 O O   . HOH E 5 .   ? -45.402 0.069   -11.864 1.00 24.52 ? 320 HOH B O   1 
HETATM 1601 O O   . HOH E 5 .   ? -36.796 -16.353 -39.241 1.00 29.39 ? 321 HOH B O   1 
HETATM 1602 O O   . HOH E 5 .   ? -23.781 1.248   -10.789 1.00 37.34 ? 322 HOH B O   1 
HETATM 1603 O O   . HOH E 5 .   ? -30.728 -6.650  -11.195 1.00 15.42 ? 323 HOH B O   1 
HETATM 1604 O O   . HOH E 5 .   ? -19.239 -29.713 -15.605 1.00 31.08 ? 324 HOH B O   1 
HETATM 1605 O O   . HOH E 5 .   ? -36.569 -23.054 -30.617 1.00 34.28 ? 325 HOH B O   1 
HETATM 1606 O O   . HOH E 5 .   ? -8.841  -13.418 -25.165 1.00 35.61 ? 326 HOH B O   1 
HETATM 1607 O O   . HOH E 5 .   ? -9.313  -18.693 -30.177 1.00 47.57 ? 327 HOH B O   1 
HETATM 1608 O O   . HOH E 5 .   ? -35.717 -19.248 -30.322 1.00 30.57 ? 328 HOH B O   1 
HETATM 1609 O O   . HOH E 5 .   ? -32.805 -18.358 -37.075 1.00 33.18 ? 329 HOH B O   1 
HETATM 1610 O O   . HOH E 5 .   ? -17.808 -19.851 -37.348 1.00 30.34 ? 330 HOH B O   1 
HETATM 1611 O O   . HOH E 5 .   ? -12.643 -21.187 -18.588 1.00 27.03 ? 331 HOH B O   1 
HETATM 1612 O O   . HOH E 5 .   ? -17.593 -21.265 -12.291 1.00 18.59 ? 332 HOH B O   1 
HETATM 1613 O O   . HOH E 5 .   ? -25.841 -22.699 -35.471 1.00 26.66 ? 333 HOH B O   1 
HETATM 1614 O O   . HOH E 5 .   ? -30.786 -20.288 -21.201 1.00 12.97 ? 334 HOH B O   1 
HETATM 1615 O O   . HOH E 5 .   ? -37.288 -25.488 -11.339 1.00 36.15 ? 335 HOH B O   1 
HETATM 1616 O O   . HOH E 5 .   ? -17.510 -27.598 -19.537 1.00 20.49 ? 336 HOH B O   1 
HETATM 1617 O O   . HOH E 5 .   ? -24.592 -30.903 -21.823 1.00 34.75 ? 337 HOH B O   1 
HETATM 1618 O O   . HOH E 5 .   ? -37.915 2.898   -22.730 1.00 19.99 ? 338 HOH B O   1 
HETATM 1619 O O   . HOH E 5 .   ? -25.114 -14.266 -3.650  1.00 33.17 ? 339 HOH B O   1 
HETATM 1620 O O   . HOH E 5 .   ? -30.685 1.236   -16.939 1.00 26.29 ? 340 HOH B O   1 
HETATM 1621 O O   . HOH E 5 .   ? -36.655 -26.063 -23.703 1.00 35.62 ? 341 HOH B O   1 
HETATM 1622 O O   . HOH E 5 .   ? -30.195 -24.021 -33.719 1.00 25.46 ? 342 HOH B O   1 
HETATM 1623 O O   . HOH E 5 .   ? -26.433 1.978   -10.967 1.00 28.95 ? 343 HOH B O   1 
HETATM 1624 O O   . HOH E 5 .   ? -38.652 -2.531  -21.237 1.00 15.15 ? 344 HOH B O   1 
HETATM 1625 O O   . HOH E 5 .   ? -37.890 -14.332 -21.272 1.00 31.13 ? 345 HOH B O   1 
HETATM 1626 O O   . HOH E 5 .   ? -38.498 -7.580  -10.676 1.00 16.13 ? 346 HOH B O   1 
HETATM 1627 O O   . HOH E 5 .   ? -19.314 -4.275  -21.999 1.00 17.20 ? 347 HOH B O   1 
HETATM 1628 O O   . HOH E 5 .   ? -16.073 -19.583 -15.587 1.00 25.36 ? 348 HOH B O   1 
HETATM 1629 O O   . HOH E 5 .   ? -45.260 -12.287 -26.508 1.00 33.01 ? 349 HOH B O   1 
HETATM 1630 O O   . HOH E 5 .   ? -10.791 -21.220 -24.935 1.00 31.40 ? 350 HOH B O   1 
HETATM 1631 O O   . HOH E 5 .   ? -19.287 -26.100 -31.639 1.00 20.64 ? 351 HOH B O   1 
HETATM 1632 O O   . HOH E 5 .   ? -34.059 -22.015 -31.219 1.00 18.97 ? 352 HOH B O   1 
HETATM 1633 O O   . HOH E 5 .   ? -23.227 4.347   -24.559 1.00 24.52 ? 353 HOH B O   1 
HETATM 1634 O O   . HOH E 5 .   ? -18.451 -4.586  -24.646 1.00 18.91 ? 354 HOH B O   1 
HETATM 1635 O O   . HOH E 5 .   ? -32.341 4.743   -32.893 1.00 24.40 ? 355 HOH B O   1 
HETATM 1636 O O   . HOH E 5 .   ? -26.663 -17.506 -7.685  1.00 17.99 ? 356 HOH B O   1 
HETATM 1637 O O   . HOH E 5 .   ? -26.515 -25.691 -16.306 1.00 18.16 ? 357 HOH B O   1 
HETATM 1638 O O   . HOH E 5 .   ? -19.790 1.975   -30.528 1.00 33.84 ? 358 HOH B O   1 
HETATM 1639 O O   . HOH E 5 .   ? -36.191 -1.888  -33.708 1.00 21.26 ? 359 HOH B O   1 
HETATM 1640 O O   . HOH E 5 .   ? -42.094 -4.084  -39.159 1.00 26.94 ? 360 HOH B O   1 
HETATM 1641 O O   . HOH E 5 .   ? -40.697 -14.439 -8.369  1.00 28.00 ? 361 HOH B O   1 
HETATM 1642 O O   . HOH E 5 .   ? -47.188 1.330   -25.443 1.00 25.10 ? 362 HOH B O   1 
HETATM 1643 O O   . HOH E 5 .   ? -16.535 -5.544  -9.323  1.00 34.55 ? 363 HOH B O   1 
HETATM 1644 O O   . HOH E 5 .   ? -41.787 1.437   -22.656 1.00 29.04 ? 364 HOH B O   1 
HETATM 1645 O O   . HOH E 5 .   ? -40.962 -9.397  -36.526 1.00 25.45 ? 365 HOH B O   1 
HETATM 1646 O O   . HOH E 5 .   ? -23.179 2.296   -22.945 1.00 28.11 ? 366 HOH B O   1 
HETATM 1647 O O   . HOH E 5 .   ? -40.231 -14.351 -31.237 1.00 15.50 ? 367 HOH B O   1 
HETATM 1648 O O   . HOH E 5 .   ? -20.869 -16.262 -5.414  1.00 19.12 ? 368 HOH B O   1 
HETATM 1649 O O   . HOH E 5 .   ? -45.788 -14.683 -27.467 1.00 36.32 ? 369 HOH B O   1 
HETATM 1650 O O   . HOH E 5 .   ? -10.208 -23.478 -21.756 1.00 30.57 ? 370 HOH B O   1 
HETATM 1651 O O   . HOH E 5 .   ? -27.106 -20.173 -6.907  1.00 18.07 ? 371 HOH B O   1 
HETATM 1652 O O   . HOH E 5 .   ? -13.495 -21.019 -35.092 1.00 37.87 ? 372 HOH B O   1 
HETATM 1653 O O   . HOH E 5 .   ? -27.723 -27.506 -25.706 1.00 30.43 ? 373 HOH B O   1 
HETATM 1654 O O   . HOH E 5 .   ? -42.557 -5.738  -12.219 1.00 23.73 ? 374 HOH B O   1 
HETATM 1655 O O   . HOH E 5 .   ? -18.170 -17.272 -36.086 1.00 27.25 ? 375 HOH B O   1 
HETATM 1656 O O   . HOH E 5 .   ? -44.921 -7.815  -38.812 1.00 16.50 ? 376 HOH B O   1 
HETATM 1657 O O   . HOH E 5 .   ? -45.668 -19.662 -31.418 1.00 28.60 ? 377 HOH B O   1 
HETATM 1658 O O   . HOH E 5 .   ? -23.930 -12.266 -6.522  1.00 19.60 ? 378 HOH B O   1 
HETATM 1659 O O   . HOH E 5 .   ? -32.227 -4.942  -12.810 1.00 15.24 ? 379 HOH B O   1 
HETATM 1660 O O   . HOH E 5 .   ? -9.331  -20.738 -28.772 1.00 40.17 ? 380 HOH B O   1 
HETATM 1661 O O   . HOH E 5 .   ? -20.912 -5.747  -2.107  1.00 46.56 ? 381 HOH B O   1 
HETATM 1662 O O   . HOH E 5 .   ? -41.201 -8.450  -13.326 1.00 22.57 ? 382 HOH B O   1 
HETATM 1663 O O   . HOH E 5 .   ? -33.464 -1.847  -38.264 1.00 28.48 ? 383 HOH B O   1 
HETATM 1664 O O   . HOH E 5 .   ? -36.429 -0.987  -21.973 1.00 14.17 ? 384 HOH B O   1 
HETATM 1665 O O   . HOH E 5 .   ? -25.256 -10.474 -23.480 1.00 14.10 ? 385 HOH B O   1 
HETATM 1666 O O   . HOH E 5 .   ? -23.660 -20.891 -38.830 1.00 22.89 ? 386 HOH B O   1 
HETATM 1667 O O   . HOH E 5 .   ? -36.941 0.874   -15.509 1.00 16.52 ? 387 HOH B O   1 
HETATM 1668 O O   . HOH E 5 .   ? -14.927 -19.720 -37.442 1.00 28.02 ? 388 HOH B O   1 
HETATM 1669 O O   . HOH E 5 .   ? -35.523 -4.706  -42.058 1.00 24.24 ? 389 HOH B O   1 
HETATM 1670 O O   . HOH E 5 .   ? -36.550 -0.307  -42.268 1.00 35.75 ? 390 HOH B O   1 
HETATM 1671 O O   . HOH E 5 .   ? -25.672 -26.971 -23.687 1.00 18.44 ? 391 HOH B O   1 
HETATM 1672 O O   . HOH E 5 .   ? -45.840 -4.312  -33.855 1.00 23.90 ? 392 HOH B O   1 
HETATM 1673 O O   . HOH E 5 .   ? -17.788 -4.253  -5.997  1.00 36.16 ? 393 HOH B O   1 
HETATM 1674 O O   . HOH E 5 .   ? -14.435 -16.561 -33.110 1.00 29.68 ? 394 HOH B O   1 
HETATM 1675 O O   . HOH E 5 .   ? -12.756 -18.485 -34.658 1.00 41.14 ? 395 HOH B O   1 
HETATM 1676 O O   . HOH E 5 .   ? -40.958 -5.960  -37.890 1.00 36.62 ? 396 HOH B O   1 
HETATM 1677 O O   . HOH E 5 .   ? -41.241 5.364   -28.387 1.00 29.23 ? 397 HOH B O   1 
HETATM 1678 O O   . HOH E 5 .   ? -15.891 -11.930 -5.492  1.00 43.42 ? 398 HOH B O   1 
HETATM 1679 O O   . HOH E 5 .   ? -40.983 -8.765  -19.105 1.00 20.33 ? 399 HOH B O   1 
HETATM 1680 O O   . HOH E 5 .   ? -35.836 -3.433  -9.900  1.00 49.16 ? 400 HOH B O   1 
HETATM 1681 O O   . HOH E 5 .   ? -33.387 -14.754 -6.795  1.00 24.00 ? 401 HOH B O   1 
HETATM 1682 O O   . HOH E 5 .   ? -34.791 -9.094  -5.905  1.00 45.06 ? 402 HOH B O   1 
HETATM 1683 O O   . HOH E 5 .   ? -24.811 -14.984 -6.696  1.00 18.06 ? 403 HOH B O   1 
HETATM 1684 O O   . HOH E 5 .   ? -18.929 -29.013 -23.257 1.00 29.93 ? 404 HOH B O   1 
HETATM 1685 O O   . HOH E 5 .   ? -17.911 -15.955 -6.071  1.00 24.35 ? 405 HOH B O   1 
HETATM 1686 O O   . HOH E 5 .   ? -9.248  -16.039 -26.440 1.00 30.68 ? 406 HOH B O   1 
HETATM 1687 O O   . HOH E 5 .   ? -13.194 -6.321  -29.157 1.00 34.14 ? 407 HOH B O   1 
HETATM 1688 O O   . HOH E 5 .   ? -39.881 -11.535 -22.594 1.00 30.47 ? 408 HOH B O   1 
HETATM 1689 O O   . HOH E 5 .   ? -24.324 -4.260  -36.759 1.00 36.87 ? 409 HOH B O   1 
HETATM 1690 O O   . HOH E 5 .   ? -24.691 -10.996 -4.110  1.00 25.11 ? 410 HOH B O   1 
HETATM 1691 O O   . HOH E 5 .   ? -38.589 3.837   -13.617 1.00 33.62 ? 411 HOH B O   1 
HETATM 1692 O O   . HOH E 5 .   ? -34.151 -21.889 -36.407 1.00 38.50 ? 412 HOH B O   1 
HETATM 1693 O O   . HOH E 5 .   ? -31.496 3.488   -26.686 1.00 25.27 ? 413 HOH B O   1 
HETATM 1694 O O   . HOH E 5 .   ? -42.339 -5.111  -43.614 1.00 25.46 ? 414 HOH B O   1 
HETATM 1695 O O   . HOH E 5 .   ? -28.804 7.834   -29.890 1.00 31.00 ? 415 HOH B O   1 
HETATM 1696 O O   . HOH E 5 .   ? -34.177 -7.085  -7.803  1.00 32.41 ? 416 HOH B O   1 
HETATM 1697 O O   . HOH E 5 .   ? -40.073 6.106   -26.112 1.00 39.79 ? 417 HOH B O   1 
HETATM 1698 O O   . HOH E 5 .   ? -17.817 -11.132 -35.488 1.00 27.77 ? 418 HOH B O   1 
HETATM 1699 O O   . HOH E 5 .   ? -52.472 -14.161 -28.958 1.00 46.24 ? 419 HOH B O   1 
HETATM 1700 O O   . HOH E 5 .   ? -15.884 -14.677 -8.706  1.00 37.48 ? 420 HOH B O   1 
HETATM 1701 O O   . HOH E 5 .   ? -43.105 3.753   -18.755 1.00 23.88 ? 421 HOH B O   1 
HETATM 1702 O O   . HOH E 5 .   ? -40.853 6.330   -32.980 1.00 32.29 ? 422 HOH B O   1 
HETATM 1703 O O   . HOH E 5 .   ? -30.984 4.133   -24.305 1.00 25.33 ? 423 HOH B O   1 
HETATM 1704 O O   . HOH E 5 .   ? -40.359 -7.482  -34.715 1.00 23.02 ? 424 HOH B O   1 
HETATM 1705 O O   . HOH E 5 .   ? -19.865 2.273   -23.959 1.00 37.73 ? 425 HOH B O   1 
HETATM 1706 O O   . HOH E 5 .   ? -47.662 0.000   -32.717 0.50 23.92 ? 426 HOH B O   1 
HETATM 1707 O O   . HOH E 5 .   ? -25.139 7.119   -28.706 1.00 30.44 ? 427 HOH B O   1 
HETATM 1708 O O   . HOH E 5 .   ? -15.931 -7.214  -11.091 1.00 34.64 ? 428 HOH B O   1 
HETATM 1709 O O   . HOH E 5 .   ? -30.718 -17.260 -42.602 1.00 36.35 ? 429 HOH B O   1 
HETATM 1710 O O   . HOH E 5 .   ? -32.754 -23.598 -33.166 1.00 34.27 ? 430 HOH B O   1 
HETATM 1711 O O   . HOH E 5 .   ? -36.656 -6.592  -8.834  1.00 32.61 ? 431 HOH B O   1 
HETATM 1712 O O   . HOH E 5 .   ? -8.413  -23.017 -30.136 1.00 32.60 ? 432 HOH B O   1 
HETATM 1713 O O   . HOH E 5 .   ? -26.152 -28.277 -21.405 1.00 37.39 ? 433 HOH B O   1 
HETATM 1714 O O   . HOH E 5 .   ? -39.853 5.208   -22.029 1.00 33.94 ? 434 HOH B O   1 
HETATM 1715 O O   . HOH E 5 .   ? -21.593 6.919   -32.159 1.00 31.52 ? 435 HOH B O   1 
HETATM 1716 O O   . HOH E 5 .   ? -37.866 6.103   -20.982 1.00 39.47 ? 436 HOH B O   1 
HETATM 1717 O O   . HOH E 5 .   ? -22.818 3.398   -20.576 1.00 36.59 ? 437 HOH B O   1 
HETATM 1718 O O   . HOH E 5 .   ? -38.687 -16.470 -40.809 1.00 38.47 ? 438 HOH B O   1 
HETATM 1719 O O   . HOH E 5 .   ? -36.790 2.177   -43.262 1.00 47.46 ? 439 HOH B O   1 
HETATM 1720 O O   . HOH E 5 .   ? -15.892 -22.279 -14.436 1.00 28.79 ? 440 HOH B O   1 
HETATM 1721 O O   . HOH E 5 .   ? -15.802 -26.871 -17.116 1.00 38.07 ? 441 HOH B O   1 
HETATM 1722 O O   . HOH E 5 .   ? -28.361 -27.676 -16.752 1.00 27.16 ? 442 HOH B O   1 
HETATM 1723 O O   . HOH E 5 .   ? -26.389 -31.241 -23.865 1.00 29.62 ? 443 HOH B O   1 
HETATM 1724 O O   . HOH E 5 .   ? -41.974 -13.093 -22.184 1.00 34.27 ? 444 HOH B O   1 
# 
