data_7HMX
# 
_entry.id   7HMX 
# 
_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   7HMX         pdb_00007hmx 10.2210/pdb7hmx/pdb 
WWPDB D_1001407675 ?            ?                   
# 
_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                        7HMX 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'                      21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                                            62.068    2   ?        ? ? ? 
3 non-polymer syn 'N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide' 190.220   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                             96.063    1   ?        ? ? ? 
5 water       nat water                                                     18.015    134 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                                            EDO 
3 'N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide' WJA 
4 'SULFATE ION'                                             SO4 
5 water                                                     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                                   ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                                                  ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                                                ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                           ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                                                  ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                                            'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE                                                 ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                           ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                                                   ?                 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                                                 ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                                                     ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                                ?                 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                                                   ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                                                    ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                                                ?                 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                                             ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                                                   ?                 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                                                    ?                 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'                                             ?                 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE                                                 ?                 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                                ?                 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                                                  ?                 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                                                    ?                 'C5 H11 N O2'    117.146 
WJA non-polymer         . 'N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide' ?                 'C6 H10 N2 O3 S' 190.220 
# 
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        WJA 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   WJA 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 EDO 1   201 202 EDO EDO B . 
C 3 WJA 1   202 302 WJA LIG B . 
D 2 EDO 1   203 305 EDO EDO B . 
E 4 SO4 1   204 1   SO4 SO4 B . 
F 5 HOH 1   301 11  HOH HOH B . 
F 5 HOH 2   302 12  HOH HOH B . 
F 5 HOH 3   303 1   HOH HOH B . 
F 5 HOH 4   304 281 HOH HOH B . 
F 5 HOH 5   305 90  HOH HOH B . 
F 5 HOH 6   306 85  HOH HOH B . 
F 5 HOH 7   307 4   HOH HOH B . 
F 5 HOH 8   308 2   HOH HOH B . 
F 5 HOH 9   309 95  HOH HOH B . 
F 5 HOH 10  310 129 HOH HOH B . 
F 5 HOH 11  311 21  HOH HOH B . 
F 5 HOH 12  312 32  HOH HOH B . 
F 5 HOH 13  313 34  HOH HOH B . 
F 5 HOH 14  314 89  HOH HOH B . 
F 5 HOH 15  315 80  HOH HOH B . 
F 5 HOH 16  316 33  HOH HOH B . 
F 5 HOH 17  317 102 HOH HOH B . 
F 5 HOH 18  318 63  HOH HOH B . 
F 5 HOH 19  319 40  HOH HOH B . 
F 5 HOH 20  320 10  HOH HOH B . 
F 5 HOH 21  321 5   HOH HOH B . 
F 5 HOH 22  322 72  HOH HOH B . 
F 5 HOH 23  323 81  HOH HOH B . 
F 5 HOH 24  324 2   HOH HOH B . 
F 5 HOH 25  325 62  HOH HOH B . 
F 5 HOH 26  326 70  HOH HOH B . 
F 5 HOH 27  327 15  HOH HOH B . 
F 5 HOH 28  328 27  HOH HOH B . 
F 5 HOH 29  329 27  HOH HOH B . 
F 5 HOH 30  330 16  HOH HOH B . 
F 5 HOH 31  331 20  HOH HOH B . 
F 5 HOH 32  332 184 HOH HOH B . 
F 5 HOH 33  333 39  HOH HOH B . 
F 5 HOH 34  334 18  HOH HOH B . 
F 5 HOH 35  335 58  HOH HOH B . 
F 5 HOH 36  336 68  HOH HOH B . 
F 5 HOH 37  337 112 HOH HOH B . 
F 5 HOH 38  338 100 HOH HOH B . 
F 5 HOH 39  339 51  HOH HOH B . 
F 5 HOH 40  340 9   HOH HOH B . 
F 5 HOH 41  341 19  HOH HOH B . 
F 5 HOH 42  342 16  HOH HOH B . 
F 5 HOH 43  343 76  HOH HOH B . 
F 5 HOH 44  344 11  HOH HOH B . 
F 5 HOH 45  345 267 HOH HOH B . 
F 5 HOH 46  346 99  HOH HOH B . 
F 5 HOH 47  347 66  HOH HOH B . 
F 5 HOH 48  348 45  HOH HOH B . 
F 5 HOH 49  349 22  HOH HOH B . 
F 5 HOH 50  350 55  HOH HOH B . 
F 5 HOH 51  351 29  HOH HOH B . 
F 5 HOH 52  352 31  HOH HOH B . 
F 5 HOH 53  353 50  HOH HOH B . 
F 5 HOH 54  354 14  HOH HOH B . 
F 5 HOH 55  355 29  HOH HOH B . 
F 5 HOH 56  356 93  HOH HOH B . 
F 5 HOH 57  357 6   HOH HOH B . 
F 5 HOH 58  358 211 HOH HOH B . 
F 5 HOH 59  359 3   HOH HOH B . 
F 5 HOH 60  360 36  HOH HOH B . 
F 5 HOH 61  361 47  HOH HOH B . 
F 5 HOH 62  362 10  HOH HOH B . 
F 5 HOH 63  363 49  HOH HOH B . 
F 5 HOH 64  364 25  HOH HOH B . 
F 5 HOH 65  365 7   HOH HOH B . 
F 5 HOH 66  366 1   HOH HOH B . 
F 5 HOH 67  367 43  HOH HOH B . 
F 5 HOH 68  368 264 HOH HOH B . 
F 5 HOH 69  369 24  HOH HOH B . 
F 5 HOH 70  370 26  HOH HOH B . 
F 5 HOH 71  371 64  HOH HOH B . 
F 5 HOH 72  372 86  HOH HOH B . 
F 5 HOH 73  373 17  HOH HOH B . 
F 5 HOH 74  374 303 HOH HOH B . 
F 5 HOH 75  375 33  HOH HOH B . 
F 5 HOH 76  376 59  HOH HOH B . 
F 5 HOH 77  377 56  HOH HOH B . 
F 5 HOH 78  378 156 HOH HOH B . 
F 5 HOH 79  379 8   HOH HOH B . 
F 5 HOH 80  380 20  HOH HOH B . 
F 5 HOH 81  381 48  HOH HOH B . 
F 5 HOH 82  382 57  HOH HOH B . 
F 5 HOH 83  383 304 HOH HOH B . 
F 5 HOH 84  384 61  HOH HOH B . 
F 5 HOH 85  385 257 HOH HOH B . 
F 5 HOH 86  386 4   HOH HOH B . 
F 5 HOH 87  387 71  HOH HOH B . 
F 5 HOH 88  388 97  HOH HOH B . 
F 5 HOH 89  389 8   HOH HOH B . 
F 5 HOH 90  390 13  HOH HOH B . 
F 5 HOH 91  391 60  HOH HOH B . 
F 5 HOH 92  392 263 HOH HOH B . 
F 5 HOH 93  393 3   HOH HOH B . 
F 5 HOH 94  394 19  HOH HOH B . 
F 5 HOH 95  395 69  HOH HOH B . 
F 5 HOH 96  396 54  HOH HOH B . 
F 5 HOH 97  397 126 HOH HOH B . 
F 5 HOH 98  398 157 HOH HOH B . 
F 5 HOH 99  399 38  HOH HOH B . 
F 5 HOH 100 400 23  HOH HOH B . 
F 5 HOH 101 401 46  HOH HOH B . 
F 5 HOH 102 402 32  HOH HOH B . 
F 5 HOH 103 403 15  HOH HOH B . 
F 5 HOH 104 404 120 HOH HOH B . 
F 5 HOH 105 405 5   HOH HOH B . 
F 5 HOH 106 406 7   HOH HOH B . 
F 5 HOH 107 407 140 HOH HOH B . 
F 5 HOH 108 408 137 HOH HOH B . 
F 5 HOH 109 409 42  HOH HOH B . 
F 5 HOH 110 410 30  HOH HOH B . 
F 5 HOH 111 411 133 HOH HOH B . 
F 5 HOH 112 412 53  HOH HOH B . 
F 5 HOH 113 413 44  HOH HOH B . 
F 5 HOH 114 414 41  HOH HOH B . 
F 5 HOH 115 415 22  HOH HOH B . 
F 5 HOH 116 416 125 HOH HOH B . 
F 5 HOH 117 417 197 HOH HOH B . 
F 5 HOH 118 418 82  HOH HOH B . 
F 5 HOH 119 419 18  HOH HOH B . 
F 5 HOH 120 420 114 HOH HOH B . 
F 5 HOH 121 421 115 HOH HOH B . 
F 5 HOH 122 422 30  HOH HOH B . 
F 5 HOH 123 423 266 HOH HOH B . 
F 5 HOH 124 424 270 HOH HOH B . 
F 5 HOH 125 425 14  HOH HOH B . 
F 5 HOH 126 426 21  HOH HOH B . 
F 5 HOH 127 427 23  HOH HOH B . 
F 5 HOH 128 428 98  HOH HOH B . 
F 5 HOH 129 429 127 HOH HOH B . 
F 5 HOH 130 430 104 HOH HOH B . 
F 5 HOH 131 431 166 HOH HOH B . 
F 5 HOH 132 432 205 HOH HOH B . 
F 5 HOH 133 433 131 HOH HOH B . 
F 5 HOH 134 434 259 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           7HMX 
_cell.length_a           95.583 
_cell.length_b           95.583 
_cell.length_c           45.936 
_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                         7HMX 
_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          7HMX 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.43 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.36 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-05-24 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92124 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92124 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HMX 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             33.790 
_reflns.d_resolution_high            1.570 
_reflns.number_obs                   29079 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.356 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        3.500 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              13.600 
_reflns.pdbx_Rrim_I_all              0.370 
_reflns.pdbx_Rpim_I_all              0.100 
_reflns.pdbx_CC_half                 0.983 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     395942 
_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 1.570 1.600  ? 16778 1425 ? 3.228 ? ? ? 11.800 ? 0.300  ? ? ? ? ? ? 99.300 3.376 0.977 0.265 
1 2 8.600 33.790 ? 2368  197  ? 0.337 ? ? ? 12.000 ? 11.600 ? ? ? ? ? ? 98.700 0.354 0.104 0.936 
# 
_refine.entry_id                                 7HMX 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.5700 
_refine.ls_d_res_low                             33.8200 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    97.7200 
_refine.ls_number_reflns_obs                     27030 
_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                          0.2041 
_refine.ls_R_factor_R_work                       0.2023 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2395 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  1395 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               22.0920 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.2200 
_refine.aniso_B[2][2]                            0.2200 
_refine.aniso_B[3][3]                            -0.4500 
_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               0.9600 
_refine.correlation_coeff_Fo_to_Fc_free          0.9370 
_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                       0.1020 
_refine.pdbx_overall_ESU_R_Free                  0.1030 
_refine.overall_SU_ML                            0.1310 
_refine.overall_SU_B                             4.3750 
_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                                83.930 
_refine.B_iso_min                                13.250 
_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                       1.5700 
_refine_hist.d_res_low                        33.8200 
_refine_hist.pdbx_number_atoms_ligand         25 
_refine_hist.number_atoms_solvent             134 
_refine_hist.number_atoms_total               1652 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           39.86 
_refine_hist.pdbx_B_iso_mean_solvent          32.18 
_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       1991 0.007  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1600 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2500 1.434  1.638  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3691 1.273  1.580  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  6.984  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 107  26.169 21.215 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  12.641 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   20.309 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         219  0.060  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2214 0.007  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     488  0.001  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            958  1.463  2.120  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.420  2.080  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 2.348  3.116  ? ? 
# 
_refine_ls_shell.d_res_high                       1.5710 
_refine_ls_shell.d_res_low                        1.6120 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               78.6700 
_refine_ls_shell.number_reflns_R_work             1619 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3500 
_refine_ls_shell.R_factor_R_free                  0.3690 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             78 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                1697 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMX 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z763030030' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMX 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 2 ? 
E N N 4 ? 
F N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HMX 
_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 7HMX MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMX HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMX HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMX HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMX HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMX HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMX HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMX MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ARG A 15 ? ALA A 18 ? ARG B 21  ALA B 24  5 ? 4 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -1.01 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 7 ? 
# 
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 
AA2 6 7 ? 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 13  ? ASP A 14  ? LEU B 19  ASP B 20  
AA1 2 MET A 52  ? GLY A 55  ? MET B 58  GLY B 61  
AA1 3 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA1 4 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA1 5 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA1 6 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA1 7 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
AA2 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA2 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA2 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA2 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA2 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA2 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA2 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
# 
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 ASP A 14  ? N ASP B 20  O LEU A 54  ? O LEU B 60  
AA1 2 3 N GLY A 55  ? N GLY B 61  O PRO A 165 ? O PRO B 171 
AA1 3 4 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA1 4 5 N LEU A 78  ? N LEU B 84  O ILE A 102 ? O ILE B 108 
AA1 5 6 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA1 6 7 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
AA2 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA2 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA2 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA2 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA2 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA2 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
# 
_pdbx_entry_details.entry_id                   7HMX 
_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_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    B 
_pdbx_validate_torsion.auth_seq_id     152 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -103.78 
_pdbx_validate_torsion.psi             55.92 
# 
_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     420 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   F 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
PHE N    N N N 260 
PHE CA   C N S 261 
PHE C    C N N 262 
PHE O    O N N 263 
PHE CB   C N N 264 
PHE CG   C Y N 265 
PHE CD1  C Y N 266 
PHE CD2  C Y N 267 
PHE CE1  C Y N 268 
PHE CE2  C Y N 269 
PHE CZ   C Y N 270 
PHE OXT  O N N 271 
PHE H    H N N 272 
PHE H2   H N N 273 
PHE HA   H N N 274 
PHE HB2  H N N 275 
PHE HB3  H N N 276 
PHE HD1  H N N 277 
PHE HD2  H N N 278 
PHE HE1  H N N 279 
PHE HE2  H N N 280 
PHE HZ   H N N 281 
PHE HXT  H N N 282 
PRO N    N N N 283 
PRO CA   C N S 284 
PRO C    C N N 285 
PRO O    O N N 286 
PRO CB   C N N 287 
PRO CG   C N N 288 
PRO CD   C N N 289 
PRO OXT  O N N 290 
PRO H    H N N 291 
PRO HA   H N N 292 
PRO HB2  H N N 293 
PRO HB3  H N N 294 
PRO HG2  H N N 295 
PRO HG3  H N N 296 
PRO HD2  H N N 297 
PRO HD3  H N N 298 
PRO HXT  H N N 299 
SER N    N N N 300 
SER CA   C N S 301 
SER C    C N N 302 
SER O    O N N 303 
SER CB   C N N 304 
SER OG   O N N 305 
SER OXT  O N N 306 
SER H    H N N 307 
SER H2   H N N 308 
SER HA   H N N 309 
SER HB2  H N N 310 
SER HB3  H N N 311 
SER HG   H N N 312 
SER HXT  H N N 313 
SO4 S    S N N 314 
SO4 O1   O N N 315 
SO4 O2   O N N 316 
SO4 O3   O N N 317 
SO4 O4   O N N 318 
THR N    N N N 319 
THR CA   C N S 320 
THR C    C N N 321 
THR O    O N N 322 
THR CB   C N R 323 
THR OG1  O N N 324 
THR CG2  C N N 325 
THR OXT  O N N 326 
THR H    H N N 327 
THR H2   H N N 328 
THR HA   H N N 329 
THR HB   H N N 330 
THR HG1  H N N 331 
THR HG21 H N N 332 
THR HG22 H N N 333 
THR HG23 H N N 334 
THR HXT  H N N 335 
TRP N    N N N 336 
TRP CA   C N S 337 
TRP C    C N N 338 
TRP O    O N N 339 
TRP CB   C N N 340 
TRP CG   C Y N 341 
TRP CD1  C Y N 342 
TRP CD2  C Y N 343 
TRP NE1  N Y N 344 
TRP CE2  C Y N 345 
TRP CE3  C Y N 346 
TRP CZ2  C Y N 347 
TRP CZ3  C Y N 348 
TRP CH2  C Y N 349 
TRP OXT  O N N 350 
TRP H    H N N 351 
TRP H2   H N N 352 
TRP HA   H N N 353 
TRP HB2  H N N 354 
TRP HB3  H N N 355 
TRP HD1  H N N 356 
TRP HE1  H N N 357 
TRP HE3  H N N 358 
TRP HZ2  H N N 359 
TRP HZ3  H N N 360 
TRP HH2  H N N 361 
TRP HXT  H N N 362 
TYR N    N N N 363 
TYR CA   C N S 364 
TYR C    C N N 365 
TYR O    O N N 366 
TYR CB   C N N 367 
TYR CG   C Y N 368 
TYR CD1  C Y N 369 
TYR CD2  C Y N 370 
TYR CE1  C Y N 371 
TYR CE2  C Y N 372 
TYR CZ   C Y N 373 
TYR OH   O N N 374 
TYR OXT  O N N 375 
TYR H    H N N 376 
TYR H2   H N N 377 
TYR HA   H N N 378 
TYR HB2  H N N 379 
TYR HB3  H N N 380 
TYR HD1  H N N 381 
TYR HD2  H N N 382 
TYR HE1  H N N 383 
TYR HE2  H N N 384 
TYR HH   H N N 385 
TYR HXT  H N N 386 
VAL N    N N N 387 
VAL CA   C N S 388 
VAL C    C N N 389 
VAL O    O N N 390 
VAL CB   C N N 391 
VAL CG1  C N N 392 
VAL CG2  C N N 393 
VAL OXT  O N N 394 
VAL H    H N N 395 
VAL H2   H N N 396 
VAL HA   H N N 397 
VAL HB   H N N 398 
VAL HG11 H N N 399 
VAL HG12 H N N 400 
VAL HG13 H N N 401 
VAL HG21 H N N 402 
VAL HG22 H N N 403 
VAL HG23 H N N 404 
VAL HXT  H N N 405 
WJA N1   N Y N 406 
WJA C4   C Y N 407 
WJA C5   C N N 408 
WJA N    N N N 409 
WJA C    C N N 410 
WJA O    O N N 411 
WJA C1   C N N 412 
WJA C2   C Y N 413 
WJA C3   C Y N 414 
WJA O1   O N N 415 
WJA O2   O Y N 416 
WJA S    S N N 417 
WJA H7   H N N 418 
WJA H9   H N N 419 
WJA H8   H N N 420 
WJA H3   H N N 421 
WJA H    H N N 422 
WJA H2   H N N 423 
WJA H1   H N N 424 
WJA H4   H N N 425 
WJA H5   H N N 426 
WJA H6   H N N 427 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
PHE N   CA   sing N N 246 
PHE N   H    sing N N 247 
PHE N   H2   sing N N 248 
PHE CA  C    sing N N 249 
PHE CA  CB   sing N N 250 
PHE CA  HA   sing N N 251 
PHE C   O    doub N N 252 
PHE C   OXT  sing N N 253 
PHE CB  CG   sing N N 254 
PHE CB  HB2  sing N N 255 
PHE CB  HB3  sing N N 256 
PHE CG  CD1  doub Y N 257 
PHE CG  CD2  sing Y N 258 
PHE CD1 CE1  sing Y N 259 
PHE CD1 HD1  sing N N 260 
PHE CD2 CE2  doub Y N 261 
PHE CD2 HD2  sing N N 262 
PHE CE1 CZ   doub Y N 263 
PHE CE1 HE1  sing N N 264 
PHE CE2 CZ   sing Y N 265 
PHE CE2 HE2  sing N N 266 
PHE CZ  HZ   sing N N 267 
PHE OXT HXT  sing N N 268 
PRO N   CA   sing N N 269 
PRO N   CD   sing N N 270 
PRO N   H    sing N N 271 
PRO CA  C    sing N N 272 
PRO CA  CB   sing N N 273 
PRO CA  HA   sing N N 274 
PRO C   O    doub N N 275 
PRO C   OXT  sing N N 276 
PRO CB  CG   sing N N 277 
PRO CB  HB2  sing N N 278 
PRO CB  HB3  sing N N 279 
PRO CG  CD   sing N N 280 
PRO CG  HG2  sing N N 281 
PRO CG  HG3  sing N N 282 
PRO CD  HD2  sing N N 283 
PRO CD  HD3  sing N N 284 
PRO OXT HXT  sing N N 285 
SER N   CA   sing N N 286 
SER N   H    sing N N 287 
SER N   H2   sing N N 288 
SER CA  C    sing N N 289 
SER CA  CB   sing N N 290 
SER CA  HA   sing N N 291 
SER C   O    doub N N 292 
SER C   OXT  sing N N 293 
SER CB  OG   sing N N 294 
SER CB  HB2  sing N N 295 
SER CB  HB3  sing N N 296 
SER OG  HG   sing N N 297 
SER OXT HXT  sing N N 298 
SO4 S   O1   doub N N 299 
SO4 S   O2   doub N N 300 
SO4 S   O3   sing N N 301 
SO4 S   O4   sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
VAL N   CA   sing N N 371 
VAL N   H    sing N N 372 
VAL N   H2   sing N N 373 
VAL CA  C    sing N N 374 
VAL CA  CB   sing N N 375 
VAL CA  HA   sing N N 376 
VAL C   O    doub N N 377 
VAL C   OXT  sing N N 378 
VAL CB  CG1  sing N N 379 
VAL CB  CG2  sing N N 380 
VAL CB  HB   sing N N 381 
VAL CG1 HG11 sing N N 382 
VAL CG1 HG12 sing N N 383 
VAL CG1 HG13 sing N N 384 
VAL CG2 HG21 sing N N 385 
VAL CG2 HG22 sing N N 386 
VAL CG2 HG23 sing N N 387 
VAL OXT HXT  sing N N 388 
WJA C   N    sing N N 389 
WJA N   S    sing N N 390 
WJA O   S    doub N N 391 
WJA S   O1   doub N N 392 
WJA C1  S    sing N N 393 
WJA C2  C1   sing N N 394 
WJA C2  C3   sing Y N 395 
WJA C3  C4   doub Y N 396 
WJA C5  C4   sing N N 397 
WJA C4  O2   sing Y N 398 
WJA O2  N1   sing Y N 399 
WJA N1  C2   doub Y N 400 
WJA C5  H7   sing N N 401 
WJA C5  H9   sing N N 402 
WJA C5  H8   sing N N 403 
WJA N   H3   sing N N 404 
WJA C   H    sing N N 405 
WJA C   H2   sing N N 406 
WJA C   H1   sing N N 407 
WJA C1  H4   sing N N 408 
WJA C1  H5   sing N N 409 
WJA C3  H6   sing N N 410 
# 
_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                    7HMX 
_atom_sites.fract_transf_matrix[1][1]   0.010462 
_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]   0.010462 
_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]   0.021769 
_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   ? -13.351 -12.954 -9.926  1.00 75.60 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.940 -13.554 -11.238 1.00 71.42 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.863 -12.679 -11.894 1.00 70.49 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.802 -11.467 -11.587 1.00 71.78 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -14.161 -13.759 -12.155 1.00 65.49 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.694 -12.507 -12.771 1.00 59.81 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -14.148 -11.957 -13.916 1.00 57.62 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.727 -11.706 -12.423 1.00 59.79 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.813 -10.863 -14.236 1.00 57.79 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.787 -10.684 -13.336 1.00 54.75 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -11.074 -13.273 -12.792 1.00 67.83 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.953  -12.617 -13.517 1.00 65.15 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.180 -12.724 -15.037 1.00 57.16 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.191  -13.007 -15.744 1.00 53.78 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.622  -13.228 -13.030 1.00 70.98 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.475  -13.213 -11.539 1.00 79.10 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -7.927  -12.137 -10.853 1.00 77.96 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.833  -14.115 -10.595 1.00 81.55 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.940  -12.385 -9.558  1.00 79.93 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.490  -13.593 -9.374  1.00 83.93 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.419 -12.481 -15.513 1.00 44.99 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.867 -12.662 -16.927 1.00 40.15 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.830 -11.336 -17.696 1.00 39.78 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.932 -11.376 -18.935 1.00 36.76 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.280 -13.278 -16.989 1.00 39.66 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.386 -14.648 -16.399 1.00 39.66 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.472 -15.664 -16.681 1.00 39.50 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.300 -15.189 -15.564 1.00 39.88 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.821 -16.764 -16.041 1.00 41.17 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.943 -16.499 -15.348 1.00 41.14 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.685 -10.210 -16.987 1.00 41.05 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.775 -8.820  -17.522 1.00 44.54 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.880 -8.631  -18.763 1.00 44.37 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.312 -7.922  -19.702 1.00 43.02 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.446 -7.798  -16.418 1.00 48.95 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.237 -7.974  -15.162 1.00 59.58 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.764 -8.714  -14.076 1.00 67.86 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.461 -7.521  -14.805 1.00 63.59 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.665 -8.706  -13.111 1.00 66.41 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.718 -7.980  -13.533 1.00 67.78 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.683  -9.235  -18.786 1.00 40.30 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.685  -9.113  -19.888 1.00 38.12 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.128  -9.843  -21.169 1.00 34.89 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.429  -9.679  -22.173 1.00 33.58 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.303  -9.598  -19.427 1.00 41.78 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.192  -11.067 -19.179 1.00 46.40 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.459  -11.905 -20.005 1.00 50.96 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.666  -11.849 -18.182 1.00 51.21 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.506  -13.139 -19.541 1.00 48.46 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.238  -13.134 -18.421 1.00 52.59 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.229 -10.614 -21.157 1.00 32.07 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.884 -11.160 -22.382 1.00 27.61 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.994 -10.225 -22.875 1.00 25.67 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.831 -10.680 -23.673 1.00 21.69 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.438 -12.564 -22.122 1.00 27.04 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.369 -13.529 -21.750 1.00 28.59 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.338  -13.838 -22.615 1.00 25.86 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.145 -14.212 -20.608 1.00 28.63 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.513  -14.679 -22.019 1.00 27.96 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.992  -14.933 -20.784 1.00 30.10 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -12.000 -8.972  -22.420 1.00 28.34 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -13.059 -7.969  -22.731 1.00 30.56 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.176 -7.830  -24.260 1.00 29.12 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.158 -7.714  -24.924 1.00 28.94 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.720 -6.620  -22.076 1.00 37.00 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.753 -5.500  -22.285 1.00 42.56 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.387 -5.714  -21.467 1.00 52.38 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -15.117 -4.950  -19.869 1.00 47.06 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.383 -7.907  -24.813 1.00 25.38 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.652 -7.659  -26.257 1.00 26.10 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.648 -6.494  -26.342 1.00 27.82 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.475 -6.323  -25.413 1.00 28.29 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.181 -8.912  -26.986 1.00 26.98 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.100 -9.966  -27.145 1.00 28.61 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.396 -9.499  -26.285 1.00 25.83 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.574 -5.716  -27.417 1.00 26.53 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.459 -4.552  -27.644 1.00 26.91 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.695 -5.034  -28.405 1.00 27.06 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.557 -5.386  -29.590 1.00 27.68 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.678 -3.453  -28.356 1.00 28.50 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.469 -2.209  -28.577 1.00 30.43 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.590 -1.228  -27.603 1.00 31.60 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.152 -1.769  -29.663 1.00 32.77 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.324 -0.231  -28.077 1.00 32.98 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.676 -0.534  -29.352 1.00 32.80 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.846 -5.102  -27.725 1.00 23.78 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -20.107 -5.639  -28.302 1.00 23.62 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.928 -4.459  -28.820 1.00 21.76 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.932 -3.399  -28.179 1.00 20.59 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.906 -6.487  -27.286 1.00 23.64 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -20.097 -7.683  -26.778 1.00 25.41 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.242 -6.916  -27.879 1.00 23.08 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.606 -8.624  -27.859 1.00 27.39 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.562 -4.655  -29.964 1.00 21.37 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.519 -3.696  -30.570 1.00 21.79 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.767 -4.472  -30.986 1.00 21.27 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.667 -5.670  -31.262 1.00 20.93 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.862 -2.920  -31.724 1.00 21.78 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.487 -3.881  -32.699 1.00 21.91 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.676 -2.071  -31.304 1.00 22.74 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.921 -3.804  -30.986 1.00 21.02 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.237 -4.435  -31.223 1.00 20.75 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.527 -4.413  -32.733 1.00 20.71 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.165 -3.436  -33.397 1.00 21.52 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.269 -3.661  -30.392 1.00 20.30 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.969 -3.646  -28.893 1.00 21.00 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.889 -2.709  -28.136 1.00 21.99 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.054 -5.057  -28.319 1.00 20.91 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -27.099 -5.485  -33.260 1.00 19.43 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.451 -5.626  -34.693 1.00 22.21 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.934 -5.224  -34.856 1.00 23.14 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.814 -6.040  -34.525 1.00 21.31 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.180 -7.049  -35.170 1.00 22.73 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.504 -7.269  -36.634 1.00 24.95 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.076 -6.347  -37.239 1.00 24.90 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.168 -8.364  -37.160 1.00 25.76 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.170 -3.998  -35.343 0.25 23.15 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.173 -4.006  -35.359 0.25 24.46 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.509 -3.382  -35.590 0.25 23.78 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.516 -3.384  -35.560 0.25 25.95 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.429 -4.343  -36.345 0.25 23.34 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.434 -4.304  -36.375 0.25 24.53 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.641 -4.342  -36.064 0.25 23.59 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.657 -4.242  -36.158 0.25 24.51 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.383 -2.122  -36.452 0.25 24.15 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.396 -2.042  -36.295 0.25 28.24 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.770 -0.932  -35.736 0.25 25.01 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.911 -0.885  -35.434 0.25 31.02 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.529 0.254   -36.651 0.25 24.53 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.402 -0.687  -35.499 0.25 32.93 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.907 1.325   -35.888 0.25 24.00 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -27.969 0.383   -36.398 0.25 34.11 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.513 1.969   -34.904 0.25 22.89 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.508 0.204   -37.635 0.25 35.44 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.752 1.649   -34.585 0.25 23.20 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.422 -1.008  -38.154 0.25 35.44 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.883 2.915   -34.238 0.25 22.65 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.131 1.245   -38.353 0.25 36.71 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.873 -5.089  -37.301 1.00 23.59 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.659 -5.938  -38.226 1.00 24.29 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.281 -7.127  -37.488 1.00 20.85 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.279 -7.622  -38.016 1.00 19.92 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.821 -6.355  -39.442 1.00 29.57 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.556 -5.187  -40.376 1.00 34.95 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.318 -4.216  -40.416 1.00 40.05 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.460 -5.254  -41.115 1.00 41.42 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.725 -7.546  -36.338 1.00 16.96 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.262 -8.654  -35.504 1.00 18.46 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.306 -8.124  -34.511 1.00 17.61 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.998 -8.943  -33.927 1.00 18.26 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.152 -9.438  -34.782 1.00 17.34 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.626 -8.565  -33.781 1.00 16.84 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.094 -9.935  -35.742 1.00 16.91 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.426 -6.812  -34.309 1.00 17.63 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.261 -6.249  -33.217 1.00 17.78 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.762 -6.393  -33.512 1.00 18.36 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.187 -6.197  -34.676 1.00 17.26 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.934 -4.807  -32.968 1.00 18.63 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.525 -6.742  -32.473 1.00 17.39 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.992 -6.550  -32.436 1.00 18.12 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.287 -5.112  -32.891 1.00 17.71 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.580 -4.180  -32.503 1.00 16.44 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.541 -6.927  -31.056 1.00 17.82 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -40.027 -6.682  -30.932 1.00 19.49 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.431 -5.542  -30.809 1.00 18.14 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.826 -7.739  -30.977 1.00 21.18 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.344 -4.926  -33.671 1.00 19.17 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.646 -3.654  -34.384 1.00 19.17 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.982 -2.511  -33.414 1.00 18.67 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.081 -1.364  -33.879 1.00 19.94 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.765 -3.894  -35.337 1.00 20.19 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.883 -4.416  -34.632 1.00 20.91 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.153 -2.809  -32.125 1.00 17.88 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.487 -1.835  -31.061 1.00 17.01 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.231 -1.355  -30.357 1.00 18.18 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.351 -0.445  -29.553 1.00 17.84 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.489 -2.447  -30.088 1.00 19.13 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.878 -2.549  -30.637 1.00 19.52 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.275 -3.047  -31.847 1.00 20.70 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -44.075 -2.098  -29.988 1.00 21.49 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.641 -2.966  -31.981 1.00 22.66 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.157 -2.402  -30.846 1.00 22.32 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.329 -1.477  -28.762 1.00 22.97 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.473 -2.079  -30.518 1.00 24.45 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.630 -1.160  -28.437 1.00 22.70 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.681 -1.476  -29.296 1.00 23.80 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -38.060 -1.952  -30.630 1.00 18.23 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.813 -1.587  -29.902 1.00 17.99 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.204 -0.329  -30.537 1.00 17.45 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.272 -0.150  -31.766 1.00 16.88 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.815 -2.750  -29.896 1.00 17.11 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.272 -4.052  -29.211 1.00 17.41 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.138 -5.057  -29.131 1.00 17.18 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.804 -3.811  -27.815 1.00 17.54 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.638 0.511   -29.688 1.00 18.24 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.817 1.687   -30.081 1.00 17.65 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.384 1.402   -29.641 1.00 18.09 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.132 1.321   -28.413 1.00 18.31 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.352 2.971   -29.448 1.00 18.65 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.825 3.211   -29.821 1.00 17.65 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.450 4.150   -29.824 1.00 20.11 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.506 4.213   -28.957 1.00 18.02 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.502 1.253   -30.618 1.00 20.43 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -31.040 1.068   -30.423 1.00 21.24 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.370 2.433   -30.606 1.00 23.86 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.702 3.171   -31.576 1.00 24.67 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.514 -0.003  -31.379 1.00 21.91 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.033 -1.366  -30.928 1.00 22.55 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.998 0.015   -31.441 1.00 22.79 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -31.037 -2.362  -31.980 1.00 24.62 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.521 2.804   -29.658 1.00 23.87 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.815 4.106   -29.664 1.00 22.75 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.927 4.171   -30.913 1.00 23.48 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.617 3.110   -31.496 1.00 22.75 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -28.019 4.291   -28.409 1.00 22.70 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.996 3.307   -28.339 1.00 21.17 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.536 5.385   -31.300 1.00 25.90 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.711 5.666   -32.497 1.00 26.37 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.390 4.885   -32.425 1.00 24.43 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.947 4.426   -33.489 1.00 24.50 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.443 7.170   -32.582 1.00 29.51 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.501 7.575   -33.704 1.00 34.09 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.428 9.061   -33.920 1.00 36.74 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.164 9.833   -32.645 1.00 39.50 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.302 11.283  -32.879 1.00 42.75 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.801 4.744   -31.228 1.00 22.82 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.496 4.045   -31.026 1.00 22.91 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.700 2.524   -30.961 1.00 23.17 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.675 1.793   -30.826 1.00 23.04 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.751 4.563   -29.785 1.00 23.70 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.410 4.316   -28.431 1.00 25.28 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.476 3.650   -28.374 1.00 25.77 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.853 4.800   -27.417 1.00 29.11 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.943 2.051   -31.024 1.00 22.42 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.304 0.605   -31.012 1.00 23.74 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.831 -0.051  -29.697 1.00 21.75 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.592 -1.256  -29.683 1.00 21.09 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.792 -0.057  -32.301 1.00 28.67 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.314 0.612   -33.572 1.00 32.95 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.935 -0.059  -34.877 1.00 41.22 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.507 -0.313  -35.018 1.00 49.01 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.911 -1.517  -34.954 1.00 64.58 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.606 -2.633  -34.747 1.00 63.42 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.596 -1.602  -35.110 1.00 67.11 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.804 0.685   -28.590 1.00 19.92 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.389 0.157   -27.272 1.00 21.11 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.549 0.152   -26.262 1.00 20.52 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.335 -0.394  -25.159 1.00 19.49 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.237 1.001   -26.731 1.00 22.55 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -22.012 0.954   -27.633 1.00 26.73 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.133 -0.243  -27.377 1.00 27.24 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.406 -0.060  -26.124 1.00 30.00 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.686 -1.007  -25.534 1.00 28.35 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.594 -2.196  -26.100 1.00 27.25 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -19.040 -0.747  -24.406 1.00 26.10 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.713 0.733   -26.599 1.00 18.67 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.899 0.781   -25.711 1.00 19.14 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.156 0.387   -26.482 1.00 19.13 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.251 0.674   -27.712 1.00 17.63 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -28.179 2.178   -25.160 1.00 21.01 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.981 2.803   -24.501 1.00 22.82 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.347 4.027   -23.709 1.00 23.78 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.492 4.224   -23.316 1.00 27.01 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.345 4.842   -23.443 1.00 25.74 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -30.075 -0.263  -25.777 1.00 18.01 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.385 -0.661  -26.359 1.00 18.46 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.452 -0.466  -25.281 1.00 17.87 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.206 -0.810  -24.112 1.00 19.61 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.342 -2.081  -26.960 1.00 17.59 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.888 -3.151  -25.961 1.00 17.11 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.674 -2.456  -27.595 1.00 18.15 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.597 0.068   -25.669 1.00 18.24 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.788 0.173   -24.790 1.00 20.46 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -36.050 -0.115  -25.612 1.00 20.75 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -36.035 0.004   -26.856 1.00 17.90 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.871 1.547   -24.121 1.00 21.36 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.172 2.689   -25.079 1.00 23.16 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.078 4.026   -24.360 1.00 25.72 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.347 5.105   -25.303 1.00 29.21 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.549 5.587   -25.618 1.00 30.08 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.650 5.116   -25.057 1.00 29.79 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.636 6.549   -26.520 1.00 33.50 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -37.117 -0.488  -24.906 0.25 20.90 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -37.121 -0.524  -24.934 0.25 21.99 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.466 -0.751  -25.468 0.25 21.98 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.422 -0.806  -25.592 0.25 23.75 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -39.088 0.595   -25.839 0.25 22.26 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.119 0.529   -25.845 0.25 23.27 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -39.152 1.461   -24.950 0.25 22.36 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.282 1.299   -24.881 0.25 23.35 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.336 -1.465  -24.426 0.25 21.99 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.327 -1.707  -24.748 0.25 25.24 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.732 -1.829  -24.914 0.25 22.38 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.710 -1.884  -25.368 0.25 26.77 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.696 -2.766  -26.465 0.25 21.87 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.294 -3.594  -25.336 0.25 28.66 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.283 -3.596  -26.399 0.25 22.35 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.562 -3.536  -26.602 0.25 28.59 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.480 0.785   -27.103 1.00 23.25 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.263 1.971   -27.506 1.00 24.28 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.705 1.814   -27.052 1.00 24.81 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.100 0.681   -26.732 1.00 21.57 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.487 2.894   -27.038 1.00 29.28 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.932 2.818   -26.670 1.00 33.91 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.765 2.507   -27.931 1.00 31.61 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -46.008 2.395   -27.813 1.00 29.05 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.365 4.069   -25.890 1.00 43.42 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.805 4.141   -24.463 1.00 54.39 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.221 3.128   -23.994 1.00 60.86 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.946 5.214   -23.814 1.00 58.20 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.122 2.274   -29.084 1.00 26.94 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.806 1.948   -30.363 1.00 24.63 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.857 1.265   -31.353 1.00 22.97 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.620 1.188   -31.090 1.00 19.36 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.386 3.221   -30.990 1.00 26.00 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.208 2.822   -32.086 1.00 27.97 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.307 4.151   -31.491 1.00 27.88 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.405 0.782   -32.472 1.00 21.75 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.616 0.273   -33.630 1.00 22.82 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.653 1.385   -34.084 1.00 21.49 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.114 2.523   -34.233 1.00 21.22 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.590 -0.245  -34.705 1.00 24.05 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.980 -0.911  -35.897 1.00 22.87 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.146 -0.243  -36.781 1.00 20.93 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -44.146 -2.162  -36.386 1.00 22.45 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.824 -1.064  -37.760 1.00 21.71 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.416 -2.252  -37.536 1.00 21.71 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.366 1.058   -34.306 1.00 19.44 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.303 2.042   -34.618 1.00 19.58 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.117 2.270   -36.131 1.00 19.10 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.089 2.885   -36.503 1.00 20.31 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -39.017 1.621   -33.901 1.00 19.30 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.157 1.699   -32.396 1.00 18.96 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.647 3.032   -31.888 1.00 19.79 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.648 3.120   -31.176 1.00 21.26 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.936 4.094   -32.238 1.00 19.89 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.113 1.945   -36.952 1.00 19.03 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.226 2.357   -38.383 1.00 19.49 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.109 1.722   -39.220 1.00 20.97 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.632 2.366   -40.143 1.00 20.21 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.226 3.887   -38.541 1.00 19.71 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.859 4.354   -39.842 1.00 19.41 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.712 3.665   -40.386 1.00 20.12 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.462 5.513   -40.352 1.00 17.38 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.744 0.473   -38.928 1.00 21.13 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.729 -0.298  -39.703 1.00 22.18 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.490 -1.347  -40.511 1.00 22.92 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.591 -1.704  -40.086 1.00 23.14 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.699 -0.930  -38.755 1.00 22.58 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.910 0.132   -38.010 1.00 23.63 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.348 -1.875  -37.755 1.00 24.12 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.928 -1.821  -41.620 1.00 23.56 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.523 -2.912  -42.425 1.00 24.90 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.357 -4.230  -41.657 1.00 25.43 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.389 -4.349  -40.903 1.00 22.04 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.903 -2.982  -43.796 1.00 27.05 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.499 -3.199  -43.703 1.00 28.19 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.232 -5.209  -41.897 1.00 26.18 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -40.066 -6.570  -41.336 1.00 26.82 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.962 -7.296  -42.114 1.00 26.61 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.676 -6.909  -43.256 1.00 25.63 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.366 -7.360  -41.345 1.00 27.88 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.333 -8.546  -40.391 1.00 32.60 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.456 -8.570  -39.465 1.00 27.35 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.170 -9.441  -40.578 1.00 40.44 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.332 -8.283  -41.487 1.00 25.27 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.349 -9.199  -42.125 1.00 25.64 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.318 -10.489 -41.297 1.00 26.73 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.916 -10.523 -40.183 1.00 25.17 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.990 -8.530  -42.352 1.00 25.56 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.217 -8.283  -41.074 1.00 26.30 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -34.884 -9.227  -40.367 1.00 28.29 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.912 -7.038  -40.769 1.00 23.34 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.721 -11.536 -41.857 1.00 25.87 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.747 -12.908 -41.295 1.00 27.36 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.871 -12.967 -40.029 1.00 25.70 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -36.098 -13.895 -39.214 1.00 24.15 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.276 -13.891 -42.372 1.00 31.52 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.828 -13.696 -42.793 1.00 35.44 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.406 -14.548 -43.963 1.00 42.01 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.901 -14.713 -44.023 1.00 46.82 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.538 -15.976 -44.708 1.00 50.94 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.946 -12.014 -39.849 1.00 22.83 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -34.030 -11.975 -38.672 1.00 27.41 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.715 -11.438 -37.406 1.00 24.00 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.202 -11.727 -36.296 1.00 22.10 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.816 -11.086 -38.921 1.00 32.05 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.878 -11.583 -39.995 1.00 39.95 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.672 -10.670 -40.179 1.00 47.29 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.480 -10.180 -41.304 1.00 57.75 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.935 -10.427 -39.195 1.00 59.17 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.764 -10.616 -37.529 1.00 22.44 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.327 -9.881  -36.354 1.00 21.74 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -37.041 -10.858 -35.407 1.00 20.60 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.832 -11.701 -35.890 1.00 20.34 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.292 -8.777  -36.797 1.00 22.61 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.635 -7.585  -37.470 1.00 22.41 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.606 -6.410  -37.579 1.00 22.07 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.045 -5.419  -38.472 1.00 22.93 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -36.003 -4.659  -38.197 1.00 23.81 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.405 -4.705  -37.010 1.00 23.08 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.554 -3.836  -39.121 1.00 24.67 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.778 -10.762 -34.101 1.00 18.43 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.564 -11.486 -33.075 1.00 17.96 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.975 -10.882 -33.093 1.00 18.19 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -39.095 -9.697  -32.903 1.00 17.94 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.919 -11.418 -31.694 1.00 17.19 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.678 -12.261 -31.542 1.00 17.28 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.772 -13.633 -31.331 1.00 17.09 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.427 -11.678 -31.605 1.00 17.74 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.617 -14.389 -31.147 1.00 17.65 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.277 -12.443 -31.440 1.00 17.79 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.379 -13.798 -31.239 1.00 16.73 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.982 -11.692 -33.355 1.00 19.78 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.370 -11.196 -33.551 1.00 20.58 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.099 -11.070 -32.210 1.00 20.81 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.796 -10.054 -32.013 1.00 24.50 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -42.106 -12.057 -34.521 1.00 20.72 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.297 -13.355 -34.002 1.00 21.49 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.966 -12.028 -31.303 1.00 20.37 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.903 -12.157 -30.156 1.00 21.03 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.367 -11.462 -28.903 1.00 20.25 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.160 -11.236 -27.975 1.00 20.02 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.233 -13.610 -29.841 1.00 21.91 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.116 -14.251 -30.896 1.00 24.19 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.918 -14.053 -32.099 1.00 24.98 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -45.050 -15.074 -30.453 1.00 24.70 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.068 -11.178 -28.837 1.00 18.89 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.444 -10.669 -27.589 1.00 18.10 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.546 -9.492  -27.911 1.00 17.09 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -39.025 -9.395  -29.022 1.00 18.73 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.644 -11.780 -26.906 1.00 18.73 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.368 -13.100 -26.802 1.00 19.46 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.318 -13.342 -25.819 1.00 21.63 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -40.113 -14.115 -27.699 1.00 21.34 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.989 -14.557 -25.731 1.00 21.52 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.777 -15.332 -27.633 1.00 21.66 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.717 -15.556 -26.646 1.00 22.31 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.338 -16.777 -26.594 1.00 23.29 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.278 -8.614  -26.929 1.00 16.75 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.390 -7.466  -27.139 1.00 16.72 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.896 -7.833  -27.087 1.00 17.47 ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -36.179 -7.313  -26.233 1.00 17.64 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.741 -6.518  -25.980 1.00 17.80 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.961 -7.148  -25.308 1.00 17.70 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.882 -8.624  -25.601 1.00 16.62 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.453 -8.674  -28.031 1.00 16.21 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.094 -9.264  -28.065 1.00 15.25 ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.281 -8.671  -29.219 1.00 15.78 ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.859 -8.243  -30.217 1.00 16.69 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.216 -10.786 -28.236 1.00 15.46 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.864 -11.471 -27.052 1.00 14.44 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.329 -13.208 -27.467 1.00 16.91 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.940 -13.827 -25.904 1.00 17.65 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.953 -8.736  -29.119 1.00 15.17 ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -32.013 -8.263  -30.161 1.00 16.04 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.695 -9.020  -29.929 1.00 16.87 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.431 -9.405  -28.755 1.00 16.54 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.835 -6.732  -30.102 1.00 15.72 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.219 -6.272  -28.801 1.00 16.31 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -31.026 -6.231  -31.287 1.00 15.90 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.919 -9.218  -30.984 1.00 15.27 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.594 -9.884  -30.891 1.00 16.23 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.471 -8.863  -31.038 1.00 17.67 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.646 -7.832  -31.750 1.00 18.07 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.460 -10.947 -31.977 1.00 15.95 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.562 -11.993 -32.046 1.00 16.03 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.215 -13.078 -33.048 1.00 16.19 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.838 -12.607 -30.679 1.00 15.79 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.329 -9.165  -30.420 1.00 17.32 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -25.073 -8.475  -30.764 1.00 17.74 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.664 -8.826  -32.191 1.00 17.78 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -25.065 -9.915  -32.690 1.00 19.05 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.903 -7.955  -32.844 1.00 17.57 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.394 -8.152  -34.227 1.00 19.42 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.300 -9.233  -34.258 1.00 20.97 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.217 -9.996  -35.258 1.00 23.88 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.865 -6.844  -34.738 1.00 20.69 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.519 -9.327  -33.186 1.00 20.45 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.314 -10.183 -33.116 1.00 21.50 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.759 -11.651 -33.124 1.00 22.56 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.757 -11.971 -32.465 1.00 20.15 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.480 -9.817  -31.881 1.00 22.59 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.806 -8.455  -31.972 1.00 23.78 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.765 -7.290  -31.838 1.00 23.26 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.748 -7.338  -31.110 1.00 23.20 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.483 -6.207  -32.537 1.00 24.67 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -20.058 -12.483 -33.904 1.00 22.15 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.189 -13.961 -33.946 1.00 23.10 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.921 -14.556 -33.321 1.00 22.53 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.824 -14.072 -33.649 1.00 22.20 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.347 -14.469 -35.385 1.00 27.23 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.726 -14.276 -36.016 1.00 31.49 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.096 -12.810 -36.172 1.00 35.98 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.183 -12.327 -37.035 1.00 38.19 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.901 -13.008 -37.929 1.00 40.36 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.826 -12.370 -38.615 1.00 40.12 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.726 -14.293 -38.163 1.00 44.93 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -19.060 -15.530 -32.420 1.00 20.32 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.920 -16.195 -31.735 1.00 20.19 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.988 -17.691 -32.015 1.00 18.90 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -19.039 -18.299 -31.792 1.00 18.89 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.957 -15.968 -30.222 1.00 21.77 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -18.023 -14.520 -29.834 1.00 23.48 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -17.070 -13.638 -30.300 1.00 26.16 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -19.035 -14.044 -29.032 1.00 26.85 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -17.113 -12.297 -29.963 1.00 28.30 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -19.075 -12.699 -28.695 1.00 27.52 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -18.121 -11.836 -29.166 1.00 26.91 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.873 -18.269 -32.471 0.25 18.46 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.880 -18.269 -32.490 0.25 19.32 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.739 -19.710 -32.804 0.25 18.57 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.744 -19.712 -32.819 0.25 20.02 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.461 -20.277 -32.173 0.25 18.99 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.513 -20.295 -32.118 0.25 20.70 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.148 -21.452 -32.420 0.25 18.45 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -15.198 -21.473 -32.351 0.25 20.09 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.773 -19.917 -34.296 0.25 18.48 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.675 -19.925 -34.309 0.25 20.20 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.103 -19.791 -34.792 0.25 17.69 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.645 -19.144 -34.893 0.25 20.18 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.758 -19.468 -31.375 0.25 19.57 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.843 -19.495 -31.288 0.25 21.69 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.524 -19.879 -30.660 0.25 19.58 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.580 -19.886 -30.618 0.25 21.86 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.192 -18.882 -29.548 0.25 20.36 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.216 -18.884 -29.523 0.25 21.66 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.770 -17.780 -29.545 0.25 19.71 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.788 -17.780 -29.513 0.25 20.87 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.373 -20.019 -31.627 0.25 19.41 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.472 -20.005 -31.628 0.25 22.65 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.868 -18.749 -32.012 0.25 17.62 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.281 -20.459 -31.006 0.25 22.83 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.279 -19.270 -28.651 1.00 21.27 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.642 -18.344 -27.699 1.00 22.77 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.481 -18.022 -26.472 1.00 23.21 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.507 -18.699 -26.211 1.00 19.70 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -12.001 -17.037 -25.716 1.00 22.03 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.600 -16.601 -24.440 1.00 22.92 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -13.031 -15.157 -24.642 1.00 21.70 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.274 -14.418 -25.254 1.00 21.61 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.619 -16.758 -23.278 1.00 25.05 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.174 -18.187 -23.000 1.00 26.75 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.966  -18.256 -22.074 1.00 28.02 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.546  -19.679 -21.791 1.00 29.23 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.579  -19.725 -20.675 1.00 32.31 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.246 -14.829 -24.207 1.00 20.93 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.935 -13.542 -24.463 1.00 20.07 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.609 -13.090 -23.173 1.00 18.85 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.202 -13.916 -22.499 1.00 17.73 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -16.021 -13.704 -25.522 1.00 20.75 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.508 -13.732 -26.939 1.00 24.11 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.742 -15.268 -27.485 1.00 24.33 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.983 -16.512 -27.138 1.00 22.99 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.498 -11.817 -22.837 1.00 18.12 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.115 -11.230 -21.625 1.00 18.42 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.747 -9.898  -22.010 1.00 18.13 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -16.137 -9.096  -22.749 1.00 19.36 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -15.078 -11.080 -20.505 1.00 20.11 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.625 -10.440 -19.253 1.00 18.68 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.337 -11.188 -18.331 1.00 19.60 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.455 -9.083  -19.012 1.00 20.20 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.871 -10.603 -17.190 1.00 20.17 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.980 -8.479  -17.879 1.00 20.24 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.675 -9.247  -16.959 1.00 20.79 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.180 -8.667  -15.839 1.00 21.76 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.959 -9.646  -21.537 1.00 17.84 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.562 -8.297  -21.645 1.00 18.11 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.486 -8.039  -20.447 1.00 18.73 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.831 -9.018  -19.722 1.00 17.80 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.277 -8.090  -22.994 1.00 17.77 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.477 -8.955  -23.249 1.00 17.11 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.797 -8.620  -23.078 1.00 17.68 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.476 -10.281 -23.791 1.00 17.79 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.607 -9.648  -23.492 1.00 18.34 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.824 -10.700 -23.885 1.00 17.46 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.458 -11.157 -24.185 1.00 18.17 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.178 -11.953 -24.377 1.00 19.01 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.803 -12.406 -24.647 1.00 19.55 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -21.143 -12.786 -24.760 1.00 18.68 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.883 -6.772  -20.272 1.00 17.84 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.716 -6.334  -19.128 1.00 17.98 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.933 -5.580  -19.633 1.00 17.11 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.799 -4.802  -20.588 1.00 17.95 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.880 -5.506  -18.161 1.00 19.53 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.760 -6.330  -17.534 1.00 21.93 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.903 -5.590  -16.531 1.00 24.73 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.040 -4.349  -16.491 1.00 27.58 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -17.131 -6.252  -15.775 1.00 25.33 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -23.052 -5.755  -18.936 1.00 17.53 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.352 -5.124  -19.298 1.00 17.71 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.914 -4.416  -18.065 1.00 17.77 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.954 -5.051  -17.000 1.00 17.30 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.355 -6.160  -19.836 1.00 17.59 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.598 -5.461  -20.381 1.00 17.94 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.731 -7.073  -20.873 1.00 17.40 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.350 -3.167  -18.228 1.00 17.71 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -26.035 -2.365  -17.178 1.00 19.63 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.529 -2.689  -17.225 1.00 18.99 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -28.123 -2.636  -18.330 1.00 18.27 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.757 -0.867  -17.337 1.00 21.23 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -26.138 -0.087  -16.091 1.00 22.41 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.315 -0.009  -15.792 1.00 24.58 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.250 0.350   -15.388 1.00 29.04 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -28.092 -3.062  -16.075 1.00 18.76 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.521 -3.434  -15.906 1.00 19.76 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.180 -2.529  -14.850 1.00 19.57 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.266 -2.870  -14.372 1.00 19.69 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.634 -4.938  -15.564 1.00 18.90 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -29.045 -5.813  -16.666 1.00 19.22 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.988 -5.271  -14.222 1.00 19.10 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.556 -1.409  -14.492 1.00 20.51 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -30.059 -0.457  -13.478 1.00 21.42 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.551 -0.155  -13.692 1.00 21.55 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.961 0.160   -14.840 1.00 18.56 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.237 0.839   -13.469 1.00 21.66 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.860 0.508   -13.277 1.00 23.16 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.706 1.762   -12.373 1.00 23.69 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.299 -0.276  -12.595 1.00 24.16 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.737 0.059   -12.385 1.00 28.06 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.677 -0.809  -13.239 1.00 27.11 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.876 -0.501  -13.265 1.00 29.67 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.986 1.567   -12.548 1.00 34.28 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.736 2.128   -13.942 1.00 41.92 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.527 3.375   -14.289 1.00 50.72 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -33.975 4.376   -14.758 1.00 54.62 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.845 3.307   -14.141 1.00 54.65 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.213 -1.882  -13.880 1.00 22.61 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -35.120 -2.757  -14.667 1.00 20.36 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.788 -3.810  -13.763 1.00 19.60 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.167 -4.252  -12.744 1.00 18.76 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.372 -3.370  -15.848 1.00 19.85 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.907 -2.358  -16.891 1.00 19.09 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.447 -2.994  -18.205 1.00 19.72 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.516 -3.809  -18.897 1.00 18.93 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.740 -3.011  -19.194 1.00 19.15 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -37.047 -4.126  -14.083 1.00 17.44 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.903 -5.117  -13.380 1.00 19.26 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.801 -6.487  -14.068 1.00 18.10 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.112 -7.493  -13.431 1.00 16.15 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.374 -4.682  -13.405 1.00 18.55 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.663 -3.482  -12.549 1.00 19.50 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -41.119 -3.017  -12.649 1.00 21.30 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.511 -2.188  -11.825 1.00 20.99 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.854 -3.501  -13.566 1.00 22.56 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.452 -6.512  -15.353 1.00 17.95 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.451 -7.749  -16.158 1.00 17.75 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.429 -7.623  -17.283 1.00 16.99 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.384 -6.570  -17.956 1.00 17.22 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.829 -8.004  -16.714 1.00 17.38 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.672 -8.683  -17.516 1.00 17.25 ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.702 -8.754  -18.645 1.00 16.38 ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.214 -10.184 -18.751 1.00 15.81 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.367 -10.932 -17.759 1.00 15.57 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.541 -7.743  -18.495 1.00 16.39 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.873 -7.747  -17.159 1.00 15.97 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -33.123 -6.891  -16.134 1.00 16.49 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.937 -8.712  -16.648 1.00 15.83 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.378 -7.221  -15.036 1.00 16.50 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.642 -8.338  -15.320 1.00 16.43 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.333 -9.862  -17.170 1.00 16.48 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.741 -9.042  -14.519 1.00 16.18 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.439 -10.560 -16.382 1.00 16.13 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -30.137 -10.143 -15.081 1.00 16.35 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.683 -10.536 -19.921 1.00 17.07 ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.930 -11.793 -20.164 1.00 16.74 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.584 -11.388 -20.770 1.00 15.91 ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.564 -10.436 -21.599 1.00 16.26 ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.626 -12.765 -21.119 1.00 17.79 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -35.133 -12.933 -20.981 1.00 19.23 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.613 -13.022 -19.876 1.00 20.53 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.780 -13.048 -22.014 1.00 20.95 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.506 -12.053 -20.356 1.00 15.38 ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.139 -11.833 -20.882 1.00 15.63 ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.439 -13.178 -21.022 1.00 15.25 ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.641 -14.074 -20.195 1.00 14.35 ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.319 -10.972 -19.925 1.00 15.78 ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.719 -9.512  -19.832 1.00 15.98 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.926 -8.831  -18.729 1.00 16.33 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.511 -8.847  -21.174 1.00 16.35 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.612 -13.263 -22.049 1.00 15.14 ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.583 -14.300 -22.157 1.00 15.12 ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -26.077 -14.362 -23.581 1.00 14.57 ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.710 -13.316 -24.153 1.00 13.86 ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -26.032 -15.575 -24.138 0.24 14.44 ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -26.132 -15.558 -24.170 0.28 14.62 ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.610 -15.852 -25.540 0.24 14.43 ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.584 -15.858 -25.521 0.28 14.79 ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.618 -16.817 -26.153 0.24 14.74 ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.463 -16.943 -26.146 0.28 14.95 ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.431 -17.400 -25.400 0.24 14.74 ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -27.043 -17.747 -25.386 0.28 15.04 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.186 -16.434 -25.622 0.24 14.62 ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -24.105 -16.279 -25.412 0.28 15.36 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.143 -15.402 -25.244 0.24 14.60 ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.946 -17.681 -24.842 0.28 15.41 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -24.025 -17.696 -24.786 0.24 14.62 ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.377 -16.156 -26.737 0.28 15.77 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.567 -16.955 -27.474 1.00 14.68 ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.399 -17.934 -28.191 1.00 15.72 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.706 -18.291 -29.500 1.00 15.81 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.837 -17.532 -29.983 1.00 15.39 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.804 -17.375 -28.407 1.00 15.84 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.861 -16.020 -29.618 1.00 18.20 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.077 -19.445 -30.051 0.24 16.14 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.084 -19.435 -30.060 0.28 15.40 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.676 -19.889 -31.409 0.24 17.15 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.627 -19.897 -31.393 0.28 16.01 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.138 -18.843 -32.425 0.24 17.04 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.149 -18.908 -32.445 0.28 16.30 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.225 -18.254 -32.224 0.24 16.75 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.283 -18.404 -32.276 0.28 16.00 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.305 -21.242 -31.748 0.24 17.67 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.118 -21.327 -31.638 0.28 15.69 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.675 -22.419 -31.022 0.24 18.60 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.339 -22.075 -32.710 0.28 15.86 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.358 -23.720 -31.396 0.24 19.40 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.926 -23.442 -32.984 0.28 16.00 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.114 -24.752 -30.397 0.24 19.82 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.890 -24.295 -31.807 0.28 15.86 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.971 -25.712 -30.058 0.24 20.64 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.948 -24.833 -31.198 0.28 16.13 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.168 -25.785 -30.616 0.24 20.60 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.177 -24.627 -31.645 0.28 16.66 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.630 -26.597 -29.139 0.24 21.52 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.765 -25.596 -30.135 0.28 16.36 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.350 -18.631 -33.481 1.00 17.38 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.737 -17.709 -34.589 1.00 19.25 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -28.062 -18.166 -35.217 1.00 20.02 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.830 -17.312 -35.638 1.00 22.33 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.623 -17.600 -35.629 1.00 22.45 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.269 -18.895 -36.344 1.00 25.79 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.699 -19.998 -35.881 1.00 25.98 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.539 -18.804 -37.350 1.00 30.84 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.387 -19.459 -35.171 1.00 20.05 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.525 -20.065 -35.903 1.00 20.29 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.777 -20.224 -35.024 1.00 18.31 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.663 -20.982 -35.430 1.00 17.89 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.091 -21.399 -36.484 1.00 20.44 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.671 -22.296 -35.473 1.00 22.13 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.855 -19.570 -33.867 1.00 17.54 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -32.055 -19.663 -32.984 1.00 19.18 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.275 -19.163 -33.781 1.00 19.50 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.135 -18.226 -34.612 1.00 17.88 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.943 -18.940 -31.624 1.00 17.93 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.975 -19.648 -30.702 1.00 18.19 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.620 -17.460 -31.738 1.00 17.21 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.414 -19.796 -33.517 1.00 20.75 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.775 -19.408 -34.000 1.00 22.58 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -36.008 -17.928 -33.655 1.00 21.81 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.687 -17.521 -32.527 1.00 21.88 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.782 -20.392 -33.383 1.00 24.39 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.244 -19.964 -33.419 1.00 26.39 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.120 -20.902 -32.614 1.00 29.25 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.660 -21.918 -32.091 1.00 33.90 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.409 -20.579 -32.502 1.00 30.18 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.519 -17.150 -34.616 1.00 19.34 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.831 -15.705 -34.454 1.00 19.15 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.334 -15.485 -34.325 1.00 19.03 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.685 -14.524 -33.628 1.00 19.78 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.312 -14.895 -35.637 1.00 17.85 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.862 -15.200 -35.963 1.00 17.64 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.961 -14.928 -34.773 1.00 18.77 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.606 -15.360 -35.099 1.00 20.57 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.678 -14.628 -35.690 1.00 20.20 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.912 -13.377 -36.041 1.00 21.12 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.506 -15.173 -35.947 1.00 21.99 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.154 -16.334 -34.957 1.00 18.29 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.617 -16.116 -35.124 1.00 19.30 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.366 -17.053 -34.189 1.00 21.67 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.913 -18.192 -34.008 1.00 22.91 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -41.063 -16.351 -36.570 1.00 19.48 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.289 -15.592 -37.635 1.00 20.32 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.109 -14.119 -37.320 1.00 20.88 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.539 -13.332 -38.472 1.00 20.95 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.356 -11.908 -38.099 1.00 23.07 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.455 -16.573 -33.609 1.00 21.39 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.356 -17.400 -32.794 1.00 24.08 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.873 -17.504 -31.368 1.00 25.04 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.928 -16.747 -30.993 1.00 25.54 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.515 -18.391 -30.614 1.00 25.42 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.266 -18.631 -29.176 1.00 28.12 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.195 -19.702 -29.015 1.00 24.24 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.175 -20.647 -29.818 1.00 26.01 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.558 -19.058 -28.489 1.00 31.80 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.484 -17.884 -28.262 1.00 37.97 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.856 -18.370 -27.898 1.00 43.05 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.278 -18.255 -26.749 1.00 48.53 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.528 -18.957 -28.877 1.00 46.17 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.322 -19.522 -28.036 1.00 20.88 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.270 -20.498 -27.661 1.00 20.93 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.791 -20.180 -26.249 1.00 20.74 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.978 -19.060 -25.762 1.00 21.11 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.120 -20.447 -28.668 1.00 20.55 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.496 -19.079 -28.793 1.00 21.01 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.549 -18.644 -27.876 1.00 22.53 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.859 -18.220 -29.822 1.00 21.93 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.987 -17.379 -27.983 1.00 21.79 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.291 -16.963 -29.930 1.00 21.71 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.348 -16.552 -29.017 1.00 21.95 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.180 -21.164 -25.589 0.25 21.02 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.166 -21.172 -25.611 0.25 21.28 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.550 -21.008 -24.253 0.25 20.80 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.522 -21.063 -24.277 0.25 21.20 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.036 -20.840 -24.422 0.25 20.59 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.021 -20.814 -24.452 0.25 20.79 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.486 -21.349 -25.424 0.25 20.12 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.461 -21.248 -25.485 0.25 20.17 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.886 -22.169 -23.362 0.25 21.74 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.780 -22.296 -23.459 0.25 22.49 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.764 -23.391 -24.074 0.25 21.75 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.158 -22.406 -23.145 0.25 23.14 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.412 -20.117 -23.489 1.00 20.11 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.952 -19.928 -23.422 1.00 20.80 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.364 -21.151 -22.703 1.00 19.85 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.553 -21.289 -21.496 1.00 19.61 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.662 -18.626 -22.666 1.00 22.27 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.201 -17.326 -23.256 1.00 22.98 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.702 -16.138 -22.439 1.00 22.91 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.824 -17.148 -24.719 1.00 22.30 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.728 -22.055 -23.442 1.00 19.63 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.122 -23.289 -22.894 1.00 19.11 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.947 -23.670 -23.774 1.00 17.85 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.910 -23.321 -24.948 1.00 18.49 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.121 -24.408 -22.842 1.00 18.24 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.411 -24.851 -24.169 1.00 20.72 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.957 -24.397 -23.244 1.00 18.31 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.891 -24.921 -24.099 1.00 18.15 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.422 -25.745 -25.285 1.00 18.87 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.897 -25.609 -26.384 1.00 16.87 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -29.048 -25.727 -23.102 1.00 19.23 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.275 -24.998 -21.791 1.00 18.77 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.749 -24.663 -21.814 1.00 18.28 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.479 -26.530 -25.083 1.00 20.68 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.092 -27.362 -26.164 1.00 25.08 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.487 -26.476 -27.355 1.00 22.71 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.379 -26.947 -28.504 1.00 20.79 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.302 -28.143 -25.637 1.00 29.96 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.961 -29.032 -24.448 1.00 38.73 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.333 -28.501 -23.063 1.00 46.36 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.524 -27.727 -22.462 1.00 37.69 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.443 -28.870 -22.577 1.00 55.10 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.913 -25.228 -27.102 1.00 21.85 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.329 -24.268 -28.157 1.00 20.14 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.145 -23.387 -28.594 1.00 19.71 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.353 -22.540 -29.466 1.00 21.43 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.537 -23.427 -27.706 1.00 18.89 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.822 -24.220 -27.623 1.00 21.40 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.943 -25.280 -28.240 1.00 22.10 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.790 -23.724 -26.860 1.00 23.66 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.947 -23.549 -28.037 1.00 18.21 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.784 -22.747 -28.462 1.00 18.49 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.519 -21.504 -27.617 1.00 17.54 ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.806 -20.620 -28.129 1.00 16.89 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -30.015 -21.423 -26.370 1.00 16.27 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.827 -20.238 -25.479 1.00 15.55 ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.159 -20.638 -24.153 1.00 15.60 ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.584 -21.636 -23.526 1.00 16.95 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.161 -19.565 -25.144 1.00 15.25 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.968 -19.077 -26.325 1.00 15.30 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.850 -19.924 -26.977 1.00 14.51 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.841 -17.769 -26.782 1.00 15.95 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.579 -19.487 -28.066 1.00 14.66 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.605 -17.318 -27.849 1.00 15.57 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.467 -18.186 -28.489 1.00 15.15 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.206 -19.819 -23.709 1.00 14.83 ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.478 -19.913 -22.417 1.00 14.90 ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.630 -18.566 -21.722 1.00 14.14 ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.921 -17.591 -22.086 1.00 13.25 ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -26.019 -20.370 -22.608 1.00 15.68 ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.970 -21.743 -23.210 1.00 16.78 ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.912 -22.941 -22.547 1.00 17.19 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -26.026 -22.059 -24.615 1.00 15.94 ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.952 -23.975 -23.445 1.00 16.11 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -26.028 -23.467 -24.718 1.00 16.73 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -26.099 -21.288 -25.783 1.00 15.70 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -26.072 -24.121 -25.952 1.00 16.93 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.144 -21.938 -26.997 1.00 17.01 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.140 -23.335 -27.080 1.00 16.52 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.663 -18.463 -20.883 1.00 15.39 ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.194 -17.156 -20.400 1.00 14.84 ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.540 -17.206 -18.905 1.00 14.26 ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.844 -18.285 -18.395 1.00 14.17 ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.439 -16.711 -21.181 1.00 14.92 ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.464 -17.667 -20.931 1.00 16.40 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.185 -16.586 -22.665 1.00 15.33 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.554 -16.033 -18.281 1.00 14.16 ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.211 -15.782 -16.971 1.00 14.96 ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.254 -14.677 -17.171 1.00 15.87 ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.239 -13.952 -18.232 1.00 15.45 ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.208 -15.454 -15.846 1.00 15.37 ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.550 -14.084 -16.023 1.00 15.78 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.177 -16.569 -15.701 1.00 16.54 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.741 -13.638 -14.829 1.00 16.06 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.133 -14.540 -16.191 1.00 16.10 ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.154 -13.478 -16.234 1.00 16.31 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.618 -13.043 -14.857 1.00 16.31 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.397 -13.757 -13.877 1.00 15.58 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.318 -13.892 -17.093 1.00 18.85 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -35.143 -15.019 -16.575 1.00 21.23 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -36.016 -15.004 -15.525 1.00 21.34 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.252 -16.304 -17.189 1.00 23.42 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.663 -16.204 -15.447 1.00 23.04 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.217 -17.021 -16.454 1.00 23.76 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.641 -16.903 -18.295 1.00 23.98 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.563 -18.334 -16.774 1.00 24.29 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -35.013 -18.184 -18.630 1.00 25.12 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.954 -18.886 -17.881 1.00 24.31 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.200 -11.839 -14.842 1.00 16.75 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.965 -11.267 -13.725 1.00 15.68 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.431 -11.210 -14.156 1.00 17.87 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.714 -10.672 -15.236 1.00 15.82 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.440 -9.851  -13.434 1.00 15.96 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.248 -9.025  -12.425 1.00 15.28 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.307 -9.674  -11.061 1.00 16.08 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.705 -7.612  -12.290 1.00 15.24 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.321 -11.709 -13.300 1.00 19.10 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.784 -11.719 -13.500 1.00 20.59 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.461 -11.751 -12.127 1.00 21.12 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.125 -12.660 -11.310 1.00 19.66 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -39.158 -12.927 -14.366 1.00 24.44 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.625 -13.135 -14.519 1.00 27.14 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.395 -14.130 -13.985 1.00 28.27 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.502 -12.311 -15.289 1.00 29.06 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.697 -13.959 -14.354 1.00 27.83 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.789 -12.868 -15.170 1.00 28.57 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.317 -11.150 -16.042 1.00 29.78 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.891 -12.304 -15.794 1.00 31.40 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.410 -10.586 -16.651 1.00 31.49 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.677 -11.160 -16.532 1.00 34.58 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.324 -10.770 -11.853 1.00 21.00 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.169 -10.755 -10.639 1.00 22.28 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.293 -10.964 -9.413  1.00 22.54 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.570 -11.881 -8.599  1.00 26.35 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.266 -11.813 -10.774 1.00 24.99 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.223 -11.508 -11.931 1.00 26.52 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.506 -12.303 -11.874 1.00 26.79 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.491 -12.003 -12.557 1.00 30.26 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.516 -13.309 -11.032 1.00 23.16 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.253 -10.155 -9.307  1.00 24.46 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.401 -10.048 -8.102  1.00 30.24 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.630 -11.348 -7.853  1.00 29.05 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -37.145 -11.509 -6.741  1.00 32.43 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.256 -9.713  -6.875  1.00 32.59 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.601 -8.770  -5.888  1.00 39.11 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.584 -8.127  -6.244  1.00 45.45 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.123 -8.676  -4.759  1.00 55.75 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.495 -12.246 -8.825  1.00 27.17 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.567 -13.391 -8.658  1.00 25.92 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.682 -13.562 -9.905  1.00 22.26 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -36.068 -13.181 -11.032 1.00 19.60 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.318 -14.630 -8.219  1.00 27.49 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -38.050 -15.192 -9.285  1.00 34.36 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.466 -14.031 -9.674  1.00 19.47 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.440 -14.284 -10.713 1.00 19.07 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.421 -15.783 -10.960 1.00 18.66 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.419 -16.546 -9.992  1.00 17.65 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -32.090 -13.766 -10.244 1.00 18.40 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -32.055 -12.278 -10.010 1.00 18.13 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.328 -11.747 -8.761  1.00 18.93 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.684 -11.400 -11.012 1.00 18.20 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.252 -10.385 -8.517  1.00 18.55 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.598 -10.034 -10.787 1.00 17.70 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.888 -9.521  -9.534  1.00 18.81 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.836 -8.175  -9.288  1.00 18.55 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.417 -16.196 -12.231 0.25 19.49 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.447 -16.186 -12.237 0.25 18.97 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.408 -17.630 -12.621 0.25 20.08 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.441 -17.608 -12.676 0.25 19.22 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.464 -17.843 -13.809 0.25 19.74 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.389 -17.807 -13.773 0.25 19.23 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.328 -16.924 -14.643 0.25 19.25 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -32.101 -16.839 -14.509 0.25 18.54 ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.826 -18.107 -12.933 0.25 21.37 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.813 -18.027 -13.206 0.25 19.87 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.795 -17.904 -11.780 0.25 22.38 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.960 -17.730 -12.256 0.25 20.27 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.155 -18.546 -11.981 0.25 23.98 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -36.077 -18.701 -11.094 0.25 20.78 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.671 -18.487 -13.123 0.25 25.92 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.822 -19.909 -11.297 0.25 21.03 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.685 -19.128 -11.008 0.25 24.26 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.424 -18.244 -9.990  0.25 23.23 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.826 -19.017 -13.856 1.00 19.65 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -31.015 -19.463 -15.001 1.00 18.69 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.945 -20.230 -15.940 1.00 17.80 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.761 -21.075 -15.453 1.00 18.22 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.860 -20.320 -14.567 1.00 18.98 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.796 -19.960 -17.239 1.00 19.12 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.595 -20.544 -18.332 1.00 19.41 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.206 -21.973 -18.648 1.00 19.50 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.892 -22.263 -19.799 1.00 20.35 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.236 -22.844 -17.651 1.00 20.97 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.214 -24.315 -17.832 1.00 21.34 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.640 -24.792 -18.077 1.00 22.99 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.569 -23.980 -17.939 1.00 22.68 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.576 -24.969 -16.603 1.00 21.58 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.304 -24.488 -15.474 1.00 20.77 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.105 -24.654 -16.458 1.00 20.56 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.809 -26.080 -18.363 1.00 26.31 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.135 -26.720 -18.549 1.00 30.38 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.285 -27.893 -17.583 1.00 29.88 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.671 -28.944 -17.764 1.00 32.07 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.353 -27.159 -19.967 1.00 35.19 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.750 -27.317 -20.196 1.00 37.39 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.038 -27.734 -16.479 1.00 28.22 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.710 -26.473 -16.144 1.00 27.17 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.754 -25.443 -15.524 1.00 23.44 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.611 -25.761 -15.209 1.00 19.84 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.743 -26.924 -15.111 1.00 29.10 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.053 -28.068 -14.391 1.00 30.12 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.212 -28.767 -15.441 1.00 29.04 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.239 -24.233 -15.332 1.00 23.80 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.391 -23.102 -14.880 1.00 25.42 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.883 -23.368 -13.451 1.00 22.61 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.527 -24.099 -12.690 1.00 20.54 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.128 -21.768 -15.016 1.00 31.06 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.275 -21.574 -14.040 1.00 37.97 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.629 -21.790 -14.667 1.00 46.91 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.822 -22.659 -15.527 1.00 51.96 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.595 -21.024 -14.193 1.00 53.29 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.743 -22.767 -13.126 1.00 21.16 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -33.015 -22.934 -11.860 1.00 18.15 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -33.036 -21.618 -11.084 1.00 16.82 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.552 -20.599 -11.629 1.00 15.48 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.587 -23.413 -12.147 1.00 18.15 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.665 -24.668 -12.834 1.00 18.61 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.775 -23.569 -10.887 1.00 18.31 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.442 -21.680 -9.817  1.00 16.53 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.383 -20.557 -8.843  1.00 18.90 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.947 -20.098 -8.605  1.00 17.67 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -31.106 -20.946 -8.306  1.00 19.83 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -34.037 -20.988 -7.525  1.00 22.84 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.409 -21.278 -7.819  1.00 24.93 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.919 -19.950 -6.432  1.00 24.17 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.669 -18.800 -8.732  1.00 17.80 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.351 -18.186 -8.423  1.00 19.14 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.407 -17.584 -7.012  1.00 20.88 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.504 -17.249 -6.540  1.00 19.29 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -30.004 -17.108 -9.461  1.00 18.07 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.909 -17.635 -10.898 1.00 17.78 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.758 -16.516 -11.900 1.00 17.05 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.754 -18.625 -11.043 1.00 17.83 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.262 -17.507 -6.348  1.00 20.09 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.146 -17.021 -4.951  1.00 21.56 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.376 -15.709 -4.985  1.00 22.19 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.151 -15.742 -5.011  1.00 26.88 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.494 -18.086 -4.075  1.00 21.95 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.268 -19.363 -4.044  1.00 23.49 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -28.939 -20.456 -4.850  1.00 25.10 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.366 -19.727 -3.342  1.00 24.43 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.811 -21.430 -4.631  1.00 26.01 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.685 -21.013 -3.705  1.00 25.55 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -29.081 -14.602 -5.035  1.00 24.21 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.466 -13.256 -5.170  1.00 27.69 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.879 -12.400 -3.965  1.00 28.61 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -30.061 -12.046 -3.857  1.00 31.03 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.840 -12.628 -6.531  1.00 28.73 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.366 -13.515 -7.688  1.00 27.23 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -28.272 -11.220 -6.617  1.00 32.31 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.458 -12.891 -9.058  1.00 28.65 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.909 -12.057 -3.125  1.00 31.53 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -28.091 -11.242 -1.895  1.00 33.63 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -28.069 -9.762  -2.271  1.00 29.30 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.778 -8.996  -1.628  1.00 27.45 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.992 -11.572 -0.877  1.00 39.77 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -27.190 -10.913 0.489   1.00 48.87 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.489 -11.282 1.181   1.00 51.96 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -29.084 -12.329 0.927   1.00 52.04 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.951 -10.408 2.063   1.00 51.92 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.290 -9.385  -3.282  1.00 25.88 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -27.121 -7.964  -3.717  1.00 25.96 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.655 -7.828  -5.141  1.00 25.62 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -27.030 -8.292  -6.099  1.00 23.20 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.646 -7.535  -3.601  1.00 27.72 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.399 -6.116  -4.116  1.00 26.33 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -25.145 -7.692  -2.172  1.00 27.22 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.872 -7.260  -5.311  1.00 25.89 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.443 -7.053  -6.641  1.00 23.79 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.423 -6.399  -7.560  1.00 23.47 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.908 -5.333  -7.242  1.00 21.91 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.641 -6.131  -6.353  1.00 25.41 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -31.081 -6.557  -4.957  1.00 25.20 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.780 -6.823  -4.234  1.00 25.04 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -28.036 -7.039  -8.684  1.00 21.30 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -27.033 -6.466  -9.572  1.00 20.60 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.532 -5.249  -10.363 1.00 20.70 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.660 -5.286  -10.846 1.00 21.74 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.649 -7.599  -10.532 1.00 20.46 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.673 -8.689  -10.347 1.00 20.30 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.464 -8.381  -9.101  1.00 21.07 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.692 -4.212  -10.449 1.00 20.01 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.836 -3.096  -11.414 1.00 21.99 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -26.079 -3.378  -12.725 1.00 21.77 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.460 -2.817  -13.769 1.00 20.81 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.418 -1.783  -10.763 1.00 22.96 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.558 -1.377  -9.409  1.00 30.28 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -25.024 -4.201  -12.680 0.25 21.96 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -25.049 -4.231  -12.675 0.25 22.27 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.286 -4.645  -13.896 0.25 22.38 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.267 -4.650  -13.869 0.25 22.90 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.996 -6.149  -13.815 0.25 22.08 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.989 -6.157  -13.810 0.25 22.37 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.710 -6.645  -12.706 0.25 21.41 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.705 -6.667  -12.707 0.25 21.64 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.981 -3.868  -14.081 0.25 23.11 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.957 -3.870  -13.954 0.25 24.08 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.181 -2.388  -14.357 0.25 23.68 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.149 -2.367  -14.027 0.25 24.99 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -23.107 -1.572  -13.091 0.25 24.29 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.874 -1.665  -14.418 0.25 25.85 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.298 -1.842  -12.206 0.25 24.53 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.988 -2.241  -15.049 0.25 27.76 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.954 -0.558  -13.002 0.25 24.24 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.778 -0.400  -14.051 0.25 26.55 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -24.056 -6.826  -14.967 1.00 22.14 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.826 -8.298  -15.103 1.00 20.90 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.594 -8.485  -15.991 1.00 20.10 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.537 -7.871  -17.083 1.00 18.40 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -25.063 -8.991  -15.710 1.00 21.92 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.334 -8.767  -14.882 1.00 22.82 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.790 -10.471 -15.945 1.00 20.86 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.360 -9.509  -13.581 1.00 21.88 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.625 -9.281  -15.544 1.00 18.69 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.547 -9.765  -16.423 1.00 17.90 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.912 -11.101 -17.052 1.00 17.47 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.421 -12.002 -16.329 1.00 16.44 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.650 -11.244 -18.355 1.00 17.68 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.883 -12.508 -19.108 1.00 17.39 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.544 -13.014 -19.667 1.00 16.77 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.852 -12.259 -20.354 1.00 16.36 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.925 -12.285 -20.210 1.00 19.39 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.229 -11.788 -19.578 1.00 20.59 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.127 -13.547 -21.044 1.00 19.21 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.254 -11.303 -20.558 1.00 23.55 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.191 -14.244 -19.337 1.00 17.11 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.926 -14.900 -19.766 1.00 16.17 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.285 -16.110 -20.616 1.00 15.48 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -19.059 -16.951 -20.146 1.00 16.52 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -17.082 -15.316 -18.560 1.00 18.36 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.805 -16.049 -18.913 1.00 20.87 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.762 -15.401 -19.552 1.00 22.58 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.652 -17.402 -18.626 1.00 22.23 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.597 -16.087 -19.878 1.00 23.53 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.489 -18.088 -18.966 1.00 22.22 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.463 -17.429 -19.592 1.00 22.24 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.688 -16.234 -21.799 1.00 15.82 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.866 -17.454 -22.639 1.00 16.07 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.487 -18.027 -22.966 1.00 15.81 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.628 -17.284 -23.446 1.00 16.37 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.653 -17.157 -23.919 1.00 16.75 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.842 -18.404 -24.772 1.00 16.62 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.979 -16.515 -23.558 1.00 17.08 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.316 -19.309 -22.669 1.00 17.50 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.137 -20.112 -23.094 1.00 18.02 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.653 -21.117 -24.123 1.00 16.89 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.278 -22.125 -23.740 1.00 16.99 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.408 -20.712 -21.897 1.00 18.20 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.120 -21.423 -22.281 1.00 21.47 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.963 -21.782 -23.490 1.00 20.94 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.327 -21.691 -21.343 1.00 24.79 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.446 -20.815 -25.396 1.00 16.86 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -16.008 -21.620 -26.498 1.00 18.44 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.503 -23.067 -26.386 1.00 18.82 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.325 -23.991 -26.290 1.00 19.64 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.710 -21.016 -27.874 1.00 18.42 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.659 -21.606 -28.883 1.00 17.51 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.481 -22.903 -29.353 1.00 17.46 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.794 -20.924 -29.276 1.00 17.41 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.379 -23.481 -30.232 1.00 18.56 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.696 -21.484 -30.167 1.00 17.17 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.490 -22.765 -30.646 1.00 17.69 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.376 -23.330 -31.516 1.00 17.89 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.180 -23.255 -26.365 1.00 20.27 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.558 -24.601 -26.352 1.00 21.35 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.994 -25.381 -25.103 1.00 20.71 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.308 -26.578 -25.252 1.00 21.22 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -12.034 -24.519 -26.493 1.00 25.30 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.588 -24.380 -27.946 1.00 30.73 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.999 -23.075 -28.583 1.00 33.12 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.227 -23.060 -29.788 1.00 37.91 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -12.104 -22.075 -27.853 1.00 43.15 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -14.027 -24.765 -23.926 1.00 19.54 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.383 -25.449 -22.657 1.00 19.39 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.890 -25.736 -22.586 1.00 19.25 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.272 -26.616 -21.798 1.00 21.15 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.932 -24.631 -21.472 1.00 20.55 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.724 -25.078 -23.396 1.00 17.74 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.187 -25.226 -23.297 1.00 17.30 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.736 -24.594 -22.017 1.00 16.77 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.466 -25.265 -21.294 1.00 17.43 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.371 -23.353 -21.723 1.00 17.08 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.719 -22.661 -20.446 1.00 18.46 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.347 -21.302 -20.744 1.00 17.54 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.799 -20.556 -21.559 1.00 18.19 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.481 -22.498 -19.542 1.00 19.59 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.749 -21.595 -18.342 1.00 21.02 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.973 -23.843 -19.075 1.00 20.06 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.460 -21.005 -20.080 1.00 16.25 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -21.031 -19.638 -20.020 1.00 16.51 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.196 -19.287 -18.544 1.00 16.13 ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.944 -20.010 -17.860 1.00 17.28 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.369 -19.531 -20.781 1.00 16.43 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.824 -18.075 -20.844 1.00 16.74 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.251 -20.117 -22.184 1.00 16.49 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.528 -18.232 -18.076 1.00 15.64 ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.603 -17.803 -16.655 1.00 16.48 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.110 -16.358 -16.533 1.00 15.93 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.815 -15.511 -17.404 1.00 16.81 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.254 -17.988 -15.973 1.00 16.55 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.914 -19.368 -15.876 1.00 16.95 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.859 -16.100 -15.466 1.00 15.73 ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.479 -14.799 -15.147 1.00 15.25 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.965 -14.345 -13.783 1.00 16.09 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.963 -15.179 -12.815 1.00 15.36 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -24.012 -14.914 -15.155 1.00 15.66 ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.571 -15.347 -16.479 1.00 15.42 ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.614 -16.693 -16.828 1.00 16.11 ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -25.032 -14.404 -17.391 1.00 15.47 ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -25.102 -17.088 -18.067 1.00 16.13 ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.518 -14.802 -18.627 1.00 15.51 ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.566 -16.140 -18.958 1.00 16.10 ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.560 -13.077 -13.712 1.00 17.27 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.959 -12.448 -12.508 1.00 19.45 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.737 -11.188 -12.087 1.00 21.28 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.244 -10.436 -12.931 1.00 21.81 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.481 -12.152 -12.759 1.00 19.64 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.689 -13.392 -13.072 1.00 20.01 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.181 -14.181 -12.051 1.00 20.29 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.534 -13.835 -14.374 1.00 20.31 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.488 -15.351 -12.318 1.00 21.46 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.824 -14.990 -14.660 1.00 20.57 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.298 -15.751 -13.629 1.00 21.68 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.609 -16.907 -13.890 1.00 21.66 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.820 -10.970 -10.774 1.00 21.34 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.489 -9.804  -10.144 1.00 20.49 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.447 -8.695  -9.942  1.00 21.10 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.731 -8.700  -8.926  1.00 22.00 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -23.148 -10.214 -8.831  1.00 21.00 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.980 -9.113  -8.212  1.00 21.28 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.782 -7.936  -8.514  1.00 23.44 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.905 -9.491  -7.353  1.00 20.72 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.321 -7.780  -10.899 1.00 20.11 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.304 -6.699  -10.832 1.00 20.97 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.568 -5.847  -9.575  1.00 22.50 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.595 -5.371  -8.951  1.00 23.00 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.313 -5.867  -12.122 1.00 21.58 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -20.203 -6.731  -13.382 1.00 20.82 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.215 -4.813  -12.087 1.00 21.51 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -19.130 -7.789  -13.283 1.00 22.66 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.829 -5.635  -9.211  1.00 22.58 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.206 -4.777  -8.047  1.00 25.17 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.660 -5.400  -6.757  1.00 26.74 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.246 -4.656  -5.877  1.00 29.06 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.725 -4.590  -7.988  1.00 24.71 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.102 -4.103  -9.275  1.00 23.48 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.164 -3.650  -6.888  1.00 26.69 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.628 -6.728  -6.679  1.00 28.03 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -21.133 -7.478  -5.498  1.00 29.48 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.737 -8.053  -5.749  1.00 29.93 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.584 -9.264  -5.592  1.00 30.42 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -22.125 -8.568  -5.140  1.00 30.12 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.764 -9.294  -3.871  1.00 32.61 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.343 -8.620  -2.903  1.00 31.34 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.939 -10.523 -3.868  1.00 34.49 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.766 -7.207  -6.107  1.00 30.30 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.331 -7.573  -6.222  1.00 33.64 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -17.152 -8.733  -7.215  1.00 30.73 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -16.273 -9.562  -6.975  1.00 27.28 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.761 -8.010  -4.859  1.00 39.78 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.909 -7.038  -3.735  1.00 43.27 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.139 -5.892  -3.640  1.00 50.95 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.670 -7.081  -2.618  1.00 49.07 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.453 -5.244  -2.534  1.00 52.59 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.388 -5.958  -1.884  1.00 52.61 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.988 -8.833  -8.252  1.00 26.10 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.803 -9.833  -9.326  1.00 23.15 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -18.105 -11.251 -8.869  1.00 20.92 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.527 -12.172 -9.450  1.00 21.09 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.961 -11.432 -7.863  1.00 21.17 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.327 -12.755 -7.294  1.00 19.90 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -20.052 -13.594 -8.356  1.00 19.44 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.844 -13.026 -9.116  1.00 20.49 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.156 -12.609 -6.047  1.00 20.98 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.373 -11.926 -6.309  1.00 22.46 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.830 -14.908 -8.376  1.00 19.58 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.456 -15.827 -9.360  1.00 18.73 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.973 -15.859 -9.170  1.00 18.37 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.440 -16.070 -8.019  1.00 18.82 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.886 -17.230 -9.188  1.00 18.82 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.383 -18.283 -10.175 1.00 19.41 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -20.026 -17.952 -11.625 1.00 18.73 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.790 -19.646 -9.809  1.00 19.04 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.714 -15.698 -10.262 1.00 16.13 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.184 -15.898 -10.266 1.00 16.77 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.494 -17.320 -10.727 1.00 16.56 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.287 -18.007 -10.055 1.00 14.55 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.879 -14.841 -11.133 1.00 17.83 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.702 -13.451 -10.519 1.00 17.07 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.348 -15.198 -11.336 1.00 17.11 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -25.048 -12.321 -11.443 1.00 17.98 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.935 -17.742 -11.861 1.00 15.69 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.280 -19.052 -12.472 1.00 15.25 ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.228 -19.456 -13.504 1.00 15.54 ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.670 -18.579 -14.207 1.00 14.33 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.665 -19.006 -13.135 1.00 15.18 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.187 -20.373 -13.480 1.00 15.59 ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.776 -21.168 -12.512 1.00 15.21 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -26.030 -20.908 -14.750 1.00 15.70 ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.238 -22.434 -12.802 1.00 15.02 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.501 -22.180 -15.057 1.00 15.70 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -27.077 -22.954 -14.071 1.00 15.23 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.546 -24.216 -14.329 1.00 17.90 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.977 -20.765 -13.596 1.00 14.82 ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.096 -21.354 -14.636 1.00 15.43 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.871 -22.452 -15.343 1.00 15.54 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.227 -23.420 -14.652 1.00 15.08 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.790 -21.931 -14.066 1.00 16.02 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.988 -20.810 -13.710 1.00 15.71 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -20.034 -22.788 -15.060 1.00 16.55 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.123 -22.291 -16.648 1.00 16.35 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.473 -23.416 -17.555 1.00 15.27 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.159 -24.104 -17.980 1.00 17.19 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.267 -23.439 -18.531 1.00 16.52 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.197 -22.949 -18.821 1.00 15.82 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.558 -22.333 -18.660 1.00 14.47 ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.687 -20.986 -18.361 1.00 14.13 ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.703 -23.078 -18.905 1.00 14.42 ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.955 -20.410 -18.264 1.00 13.88 ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.961 -22.493 -18.829 1.00 14.15 ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -28.078 -21.161 -18.514 1.00 14.06 ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -22.013 -25.392 -17.669 1.00 17.40 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.857 -26.221 -18.063 1.00 19.32 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.323 -27.330 -19.008 1.00 19.56 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.536 -27.557 -19.093 1.00 18.68 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.191 -26.770 -16.814 1.00 21.31 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.998 -27.769 -16.208 1.00 23.91 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.398 -27.951 -19.746 1.00 20.29 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.719 -29.015 -20.742 1.00 22.86 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.693 -28.456 -21.795 1.00 21.64 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.577 -29.208 -22.245 1.00 20.72 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.298 -30.244 -20.031 1.00 26.19 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.307 -30.895 -19.077 1.00 32.04 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -20.902 -31.751 -17.965 1.00 40.11 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.073 -32.188 -18.098 1.00 45.36 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.193 -31.975 -16.947 1.00 47.09 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.548 -27.185 -22.180 1.00 20.25 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.456 -26.560 -23.172 1.00 19.97 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.184 -27.207 -24.537 1.00 21.33 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -21.001 -27.451 -24.880 1.00 21.17 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.286 -25.052 -23.258 1.00 20.72 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.613 -24.162 -21.707 1.00 19.76 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.232 -27.497 -25.296 1.00 19.53 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.094 -27.964 -26.702 1.00 19.90 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.534 -26.807 -27.601 1.00 18.93 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.718 -26.767 -27.972 1.00 19.87 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.917 -29.248 -26.949 1.00 21.85 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.755 -29.720 -28.389 1.00 23.43 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.542 -30.351 -25.967 1.00 22.57 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.636 -25.869 -27.915 1.00 17.68 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -23.018 -24.636 -28.642 1.00 18.39 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.531 -25.001 -30.037 1.00 20.26 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.572 -24.468 -30.447 1.00 18.63 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.863 -23.645 -28.672 1.00 18.50 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.410 -23.188 -27.311 1.00 17.92 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.313 -22.697 -26.390 1.00 17.52 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -20.066 -23.226 -26.962 1.00 18.19 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.885 -22.250 -25.149 1.00 17.45 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.641 -22.787 -25.720 1.00 17.69 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.553 -22.314 -24.813 1.00 17.80 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.853 -25.919 -30.726 1.00 19.98 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.302 -26.510 -32.006 1.00 21.13 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.407 -25.450 -33.108 1.00 21.08 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.208 -25.646 -34.041 1.00 21.07 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.620 -27.210 -31.822 1.00 22.06 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.660 -24.357 -32.982 1.00 20.11 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.613 -23.300 -34.004 1.00 20.09 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.964 -22.036 -33.474 1.00 18.80 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.585 -21.983 -32.302 1.00 19.31 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.842 -20.994 -34.323 1.00 17.12 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.386 -19.686 -33.876 1.00 17.05 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.374 -19.125 -32.837 1.00 17.97 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.581 -19.379 -32.940 1.00 17.30 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.367 -18.805 -35.142 1.00 17.00 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.500 -19.766 -36.305 1.00 16.80 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.193 -20.997 -35.749 1.00 17.05 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.835 -18.397 -31.861 1.00 17.46 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.603 -17.767 -30.756 1.00 17.59 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.712 -16.273 -31.016 1.00 17.08 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.768 -15.692 -31.535 1.00 18.63 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.898 -18.017 -29.425 1.00 16.91 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.933 -19.444 -28.899 1.00 17.26 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.099 -19.530 -27.630 1.00 18.46 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.359 -19.917 -28.668 1.00 18.25 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.845 -15.696 -30.617 1.00 18.27 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -24.099 -14.251 -30.622 1.00 18.65 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.558 -13.822 -29.232 1.00 16.37 ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.257 -14.550 -28.533 1.00 15.88 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.092 -13.935 -31.737 1.00 19.38 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.510 -14.261 -33.107 1.00 20.45 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.458 -13.913 -34.228 1.00 20.86 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.596 -12.467 -34.295 1.00 20.01 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.311 -11.824 -35.194 1.00 21.08 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.907 -12.502 -36.157 1.00 19.97 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.388 -10.499 -35.151 1.00 20.25 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -24.144 -12.624 -28.792 1.00 14.97 ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.638 -12.059 -27.535 1.00 14.96 ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.160 -11.904 -27.689 1.00 15.16 ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.618 -11.613 -28.787 1.00 14.61 ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.911 -10.710 -27.423 1.00 14.91 ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.708 -10.871 -28.328 1.00 15.44 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -23.210 -11.725 -29.481 1.00 15.54 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.896 -12.164 -26.611 1.00 14.53 ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.376 -12.173 -26.601 1.00 14.31 ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.898 -11.220 -25.528 1.00 14.13 ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.373 -11.199 -24.395 1.00 13.38 ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.854 -13.611 -26.376 1.00 14.25 ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.339 -13.693 -26.190 1.00 14.87 ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.182 -13.638 -27.285 1.00 14.78 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.884 -13.718 -24.914 1.00 15.14 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.559 -13.668 -27.108 1.00 14.39 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.258 -13.718 -24.739 1.00 14.62 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -33.084 -13.734 -25.840 1.00 14.88 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.983 -10.506 -25.847 1.00 14.63 ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.535 -9.425  -25.002 1.00 14.59 ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -32.056 -9.470  -25.093 1.00 14.76 ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.575 -9.562  -26.220 1.00 14.81 ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -30.030 -8.036  -25.444 1.00 14.59 ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.529 -7.904  -25.514 1.00 15.55 ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.847 -8.248  -26.669 1.00 15.33 ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.804 -7.477  -24.411 1.00 15.46 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.464 -8.166  -26.728 1.00 15.01 ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.427 -7.371  -24.473 1.00 15.64 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.765 -7.723  -25.631 1.00 15.61 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.725 -9.304  -23.954 1.00 14.33 ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.185 -9.062  -23.909 1.00 14.64 ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.411 -7.927  -22.918 1.00 15.35 ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -34.074 -8.111  -21.740 1.00 15.04 ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.942 -10.329 -23.522 1.00 15.43 ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.435 -10.178 -23.643 1.00 17.28 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.923 -9.093  -23.910 1.00 16.36 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.152 -11.278 -23.493 1.00 17.54 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.911 -6.774  -23.383 1.00 16.17 ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.175 -5.606  -22.490 1.00 17.56 ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.465 -5.839  -21.697 1.00 17.34 ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.761 -4.999  -20.828 1.00 16.70 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.245 -4.274  -23.258 1.00 18.60 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.929 -4.002  -23.943 1.00 19.77 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.416 -4.215  -24.235 1.00 18.43 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.237 -6.878  -22.033 1.00 18.06 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.511 -7.195  -21.353 1.00 17.43 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.637 -6.255  -21.749 1.00 15.96 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.373 -5.181  -22.323 1.00 15.78 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.870 -6.632  -21.448 1.00 16.25 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -42.067 -5.785  -21.699 1.00 17.06 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -42.104 -4.696  -20.637 1.00 15.36 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.363 -4.785  -19.655 1.00 14.39 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.357 -6.617  -21.714 1.00 18.84 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.498 -7.509  -22.923 1.00 19.71 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.866 -6.984  -24.149 1.00 20.86 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.232 -8.862  -22.846 1.00 20.98 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.989 -7.800  -25.268 1.00 21.22 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.363 -9.674  -23.962 1.00 21.34 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.728 -9.137  -25.172 1.00 19.53 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.987 -3.722  -20.818 1.00 16.42 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.168 -2.595  -19.868 1.00 16.13 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.676 -2.390  -19.668 1.00 17.83 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.165 -1.269  -19.849 1.00 17.46 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.458 -1.339  -20.359 1.00 16.64 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.516 -0.225  -19.343 1.00 17.19 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.568 -0.482  -18.152 1.00 17.24 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.530 1.024   -19.794 1.00 17.38 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.397 -3.459  -19.352 1.00 17.92 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.832 -3.383  -18.966 1.00 17.87 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.989 -2.557  -17.679 1.00 17.17 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -48.049 -1.941  -17.505 1.00 16.29 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.400 -4.786  -18.771 1.00 18.72 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.413 -5.649  -20.001 1.00 20.49 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.332 -5.427  -21.016 1.00 23.18 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.538 -6.712  -20.128 1.00 21.96 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.362 -6.223  -22.150 1.00 25.11 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.560 -7.527  -21.251 1.00 25.08 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.476 -7.281  -22.265 1.00 26.76 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.508 -8.088  -23.368 1.00 29.45 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.991 -2.552  -16.786 1.00 16.55 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -46.091 -1.973  -15.412 1.00 16.33 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.780 -0.479  -15.431 1.00 16.67 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.033 0.180   -14.405 1.00 16.81 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.148 -2.658  -14.434 1.00 16.66 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.786 -2.407  -14.764 1.00 17.72 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.156 0.005   -16.502 1.00 15.91 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.572 1.357   -16.516 1.00 15.70 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.355 1.485   -15.610 1.00 16.68 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.848 2.604   -15.506 1.00 18.32 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.832 0.400   -15.045 1.00 16.37 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.592 0.434   -14.245 1.00 16.67 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.407 -0.252  -14.925 1.00 17.51 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.343 -0.383  -14.260 1.00 18.23 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.525 -0.656  -16.197 1.00 16.05 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.427 -1.371  -16.889 1.00 15.82 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.984 -0.685  -18.191 1.00 16.04 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.426 -1.391  -19.047 1.00 16.99 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.832 -2.829  -17.152 1.00 15.32 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.630 -3.679  -17.483 1.00 13.76 ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.609 -3.527  -16.842 1.00 14.31 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.758 -4.583  -18.442 1.00 13.89 ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -39.071 0.647   -18.288 1.00 17.31 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.713 1.406   -19.513 1.00 17.93 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.189 1.511   -19.674 1.00 17.37 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.727 1.754   -20.815 1.00 18.14 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.357 2.785   -19.480 1.00 17.67 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.423 1.357   -18.592 1.00 17.78 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.976 1.678   -18.599 1.00 17.83 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.253 0.780   -19.599 1.00 17.89 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.617 -0.381  -19.804 1.00 16.91 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.397 1.604   -17.218 1.00 17.28 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.196 1.295   -20.258 1.00 17.99 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.444 0.502   -21.237 1.00 18.00 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.527 -0.594  -20.651 1.00 17.52 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.263 -0.579  -19.446 1.00 17.49 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.618 1.605   -21.930 1.00 19.25 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.340 2.611   -20.837 1.00 18.97 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.649 2.652   -20.069 1.00 18.72 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.122 -1.554  -21.491 1.00 17.37 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.875 -2.346  -21.321 1.00 16.70 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.740 -1.532  -21.947 1.00 17.92 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.901 -1.030  -23.095 1.00 17.83 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.992 -3.717  -21.989 1.00 17.96 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -31.069 -4.632  -21.407 1.00 17.89 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.219 -5.923  -22.201 1.00 17.53 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.766 -4.951  -19.959 1.00 18.59 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.611 -1.429  -21.265 1.00 17.55 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.466 -0.708  -21.845 1.00 19.77 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.240 -1.600  -21.793 1.00 18.49 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.930 -2.078  -20.701 1.00 18.54 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.174 0.576   -21.068 1.00 21.95 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.352 1.517   -20.883 1.00 26.77 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.916 2.820   -20.243 1.00 28.70 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -28.074 3.684   -19.801 1.00 33.91 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.588 4.881   -19.072 1.00 36.53 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.508 -1.677  -22.894 1.00 18.72 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.159 -2.293  -22.899 1.00 20.66 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.173 -1.318  -22.233 1.00 22.68 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.989 -0.223  -22.751 1.00 24.64 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.823 -2.687  -24.340 1.00 20.54 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.560 -3.960  -24.772 1.00 21.61 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.739 -4.049  -26.275 1.00 23.62 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.848 -5.198  -24.237 1.00 20.42 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.605 -1.702  -21.086 1.00 25.33 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.695 -0.854  -20.270 1.00 26.53 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.318 -0.800  -20.905 1.00 30.07 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.827 -1.824  -21.356 1.00 30.20 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.391 -1.418  -18.894 1.00 28.79 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.828 -2.034  -18.012 1.00 28.39 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.634 0.363   -20.839 1.00 34.87 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.313 0.528   -21.432 1.00 37.70 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.254 -0.356  -20.767 1.00 38.22 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.386 -0.660  -19.599 1.00 39.20 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.994 2.021   -21.229 1.00 38.17 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.860 2.438   -20.065 1.00 37.32 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -19.104 1.586   -20.169 1.00 36.70 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.281 -0.776  -21.578 1.00 44.91 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -14.024 -1.466  -21.194 1.00 44.02 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.156 -0.505  -20.382 1.00 47.60 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.676 -0.891  -19.321 1.00 59.43 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.317 -1.906  -22.480 1.00 42.89 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.726 -3.178  -22.996 1.00 35.59 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.350 -3.215  -23.299 1.00 28.38 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.587 -4.022  -23.874 1.00 40.24 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.494 -3.711  -25.253 1.00 46.17 ? 201 EDO B O2  1 
HETATM 1571 N N1  . WJA C 3 .   ? -25.496 -27.874 -23.885 0.52 32.35 ? 202 WJA B N1  1 
HETATM 1572 C C4  . WJA C 3 .   ? -27.418 -28.764 -24.614 0.52 31.70 ? 202 WJA B C4  1 
HETATM 1573 C C5  . WJA C 3 .   ? -28.435 -29.054 -25.647 0.52 31.65 ? 202 WJA B C5  1 
HETATM 1574 N N   . WJA C 3 .   ? -25.626 -27.363 -19.067 0.52 31.01 ? 202 WJA B N   1 
HETATM 1575 C C   . WJA C 3 .   ? -24.773 -26.335 -18.491 0.52 31.16 ? 202 WJA B C   1 
HETATM 1576 O O   . WJA C 3 .   ? -25.594 -25.931 -21.074 0.52 29.22 ? 202 WJA B O   1 
HETATM 1577 C C1  . WJA C 3 .   ? -25.493 -28.495 -21.522 0.52 31.44 ? 202 WJA B C1  1 
HETATM 1578 C C2  . WJA C 3 .   ? -26.083 -28.484 -22.897 0.52 31.74 ? 202 WJA B C2  1 
HETATM 1579 C C3  . WJA C 3 .   ? -27.302 -29.038 -23.310 0.52 32.73 ? 202 WJA B C3  1 
HETATM 1580 O O1  . WJA C 3 .   ? -27.577 -27.309 -20.544 0.52 32.22 ? 202 WJA B O1  1 
HETATM 1581 O O2  . WJA C 3 .   ? -26.344 -28.051 -25.008 0.52 32.79 ? 202 WJA B O2  1 
HETATM 1582 S S   . WJA C 3 .   ? -26.155 -27.146 -20.571 0.52 31.62 ? 202 WJA B S   1 
HETATM 1583 C C1  . EDO D 2 .   ? -50.396 -16.373 -33.420 1.00 46.62 ? 203 EDO B C1  1 
HETATM 1584 O O1  . EDO D 2 .   ? -48.996 -16.319 -33.208 1.00 45.18 ? 203 EDO B O1  1 
HETATM 1585 C C2  . EDO D 2 .   ? -51.112 -17.068 -32.327 1.00 44.13 ? 203 EDO B C2  1 
HETATM 1586 O O2  . EDO D 2 .   ? -51.531 -16.199 -31.314 1.00 45.62 ? 203 EDO B O2  1 
HETATM 1587 S S   . SO4 E 4 .   ? -40.506 -24.608 -26.405 1.00 48.73 ? 204 SO4 B S   1 
HETATM 1588 O O1  . SO4 E 4 .   ? -39.751 -23.602 -27.110 1.00 36.66 ? 204 SO4 B O1  1 
HETATM 1589 O O2  . SO4 E 4 .   ? -41.412 -25.254 -27.307 1.00 50.25 ? 204 SO4 B O2  1 
HETATM 1590 O O3  . SO4 E 4 .   ? -39.609 -25.586 -25.835 1.00 48.95 ? 204 SO4 B O3  1 
HETATM 1591 O O4  . SO4 E 4 .   ? -41.269 -23.995 -25.343 1.00 50.99 ? 204 SO4 B O4  1 
HETATM 1592 O O   . HOH F 5 .   ? -26.866 -28.613 -28.183 1.00 30.60 ? 301 HOH B O   1 
HETATM 1593 O O   . HOH F 5 .   ? -22.729 -1.929  -9.888  1.00 32.44 ? 302 HOH B O   1 
HETATM 1594 O O   . HOH F 5 .   ? -13.563 -23.580 -31.674 1.00 19.74 ? 303 HOH B O   1 
HETATM 1595 O O   . HOH F 5 .   ? -41.293 -8.151  -3.891  1.00 45.53 ? 304 HOH B O   1 
HETATM 1596 O O   . HOH F 5 .   ? -35.803 -22.844 -19.667 1.00 36.03 ? 305 HOH B O   1 
HETATM 1597 O O   . HOH F 5 .   ? -42.454 1.120   -22.870 1.00 44.97 ? 306 HOH B O   1 
HETATM 1598 O O   . HOH F 5 .   ? -47.094 -16.984 -31.743 1.00 19.91 ? 307 HOH B O   1 
HETATM 1599 O O   . HOH F 5 .   ? -45.687 3.702   -34.367 1.00 28.31 ? 308 HOH B O   1 
HETATM 1600 O O   . HOH F 5 .   ? -36.896 -16.256 -39.520 1.00 29.37 ? 309 HOH B O   1 
HETATM 1601 O O   . HOH F 5 .   ? -47.304 1.369   -25.921 1.00 41.73 ? 310 HOH B O   1 
HETATM 1602 O O   . HOH F 5 .   ? -29.044 -25.777 -12.993 1.00 19.04 ? 311 HOH B O   1 
HETATM 1603 O O   . HOH F 5 .   ? -9.806  -20.653 -28.925 1.00 49.80 ? 312 HOH B O   1 
HETATM 1604 O O   . HOH F 5 .   ? -12.924 -21.471 -18.865 1.00 35.90 ? 313 HOH B O   1 
HETATM 1605 O O   . HOH F 5 .   ? -11.098 -21.254 -25.160 1.00 37.33 ? 314 HOH B O   1 
HETATM 1606 O O   . HOH F 5 .   ? -9.197  -13.298 -25.113 1.00 42.07 ? 315 HOH B O   1 
HETATM 1607 O O   . HOH F 5 .   ? -29.689 -12.600 -37.851 1.00 24.85 ? 316 HOH B O   1 
HETATM 1608 O O   . HOH F 5 .   ? -24.190 -31.206 -22.227 1.00 38.92 ? 317 HOH B O   1 
HETATM 1609 O O   . HOH F 5 .   ? -33.028 1.034   -33.557 1.00 23.07 ? 318 HOH B O   1 
HETATM 1610 O O   . HOH F 5 .   ? -38.736 0.402   -11.884 1.00 36.94 ? 319 HOH B O   1 
HETATM 1611 O O   . HOH F 5 .   ? -19.495 -29.802 -15.685 1.00 32.63 ? 320 HOH B O   1 
HETATM 1612 O O   . HOH F 5 .   ? -45.397 0.107   -11.902 1.00 33.37 ? 321 HOH B O   1 
HETATM 1613 O O   . HOH F 5 .   ? -33.005 -18.015 -37.198 1.00 39.25 ? 322 HOH B O   1 
HETATM 1614 O O   . HOH F 5 .   ? -30.112 -23.929 -34.053 1.00 25.14 ? 323 HOH B O   1 
HETATM 1615 O O   . HOH F 5 .   ? -30.820 -20.492 -21.372 1.00 18.05 ? 324 HOH B O   1 
HETATM 1616 O O   . HOH F 5 .   ? -30.834 0.827   -17.095 1.00 32.62 ? 325 HOH B O   1 
HETATM 1617 O O   . HOH F 5 .   ? -26.049 -22.576 -36.075 1.00 36.29 ? 326 HOH B O   1 
HETATM 1618 O O   . HOH F 5 .   ? -40.913 -14.469 -8.549  1.00 31.59 ? 327 HOH B O   1 
HETATM 1619 O O   . HOH F 5 .   ? -45.086 -12.299 -26.560 1.00 39.53 ? 328 HOH B O   1 
HETATM 1620 O O   . HOH F 5 .   ? -38.229 2.665   -22.815 1.00 24.82 ? 329 HOH B O   1 
HETATM 1621 O O   . HOH F 5 .   ? -15.654 -5.530  -13.730 1.00 32.29 ? 330 HOH B O   1 
HETATM 1622 O O   . HOH F 5 .   ? -38.703 -7.738  -10.884 1.00 21.51 ? 331 HOH B O   1 
HETATM 1623 O O   . HOH F 5 .   ? -9.635  -18.608 -30.128 1.00 51.27 ? 332 HOH B O   1 
HETATM 1624 O O   . HOH F 5 .   ? -17.709 -21.414 -12.548 1.00 19.12 ? 333 HOH B O   1 
HETATM 1625 O O   . HOH F 5 .   ? -16.296 -19.649 -15.671 1.00 28.28 ? 334 HOH B O   1 
HETATM 1626 O O   . HOH F 5 .   ? -17.477 -27.559 -19.644 1.00 18.19 ? 335 HOH B O   1 
HETATM 1627 O O   . HOH F 5 .   ? -43.086 -15.288 -10.019 1.00 27.17 ? 336 HOH B O   1 
HETATM 1628 O O   . HOH F 5 .   ? -24.461 -4.172  -36.722 1.00 42.01 ? 337 HOH B O   1 
HETATM 1629 O O   . HOH F 5 .   ? -49.778 -1.688  -19.507 1.00 37.45 ? 338 HOH B O   1 
HETATM 1630 O O   . HOH F 5 .   ? -26.222 3.196   -35.472 1.00 33.78 ? 339 HOH B O   1 
HETATM 1631 O O   . HOH F 5 .   ? -36.419 5.346   -15.749 1.00 36.25 ? 340 HOH B O   1 
HETATM 1632 O O   . HOH F 5 .   ? -26.727 1.914   -11.316 1.00 35.63 ? 341 HOH B O   1 
HETATM 1633 O O   . HOH F 5 .   ? -37.438 -25.311 -11.273 1.00 44.02 ? 342 HOH B O   1 
HETATM 1634 O O   . HOH F 5 .   ? -10.506 -23.566 -21.911 1.00 31.85 ? 343 HOH B O   1 
HETATM 1635 O O   . HOH F 5 .   ? -30.981 -6.726  -11.375 1.00 19.55 ? 344 HOH B O   1 
HETATM 1636 O O   . HOH F 5 .   ? -24.144 1.079   -10.880 1.00 34.06 ? 345 HOH B O   1 
HETATM 1637 O O   . HOH F 5 .   ? -45.207 7.470   -24.563 1.00 34.82 ? 346 HOH B O   1 
HETATM 1638 O O   . HOH F 5 .   ? -38.470 3.770   -42.124 1.00 35.91 ? 347 HOH B O   1 
HETATM 1639 O O   . HOH F 5 .   ? -36.601 -0.555  -42.139 1.00 41.48 ? 348 HOH B O   1 
HETATM 1640 O O   . HOH F 5 .   ? -38.810 -2.532  -21.467 1.00 21.82 ? 349 HOH B O   1 
HETATM 1641 O O   . HOH F 5 .   ? -16.929 -5.685  -9.324  1.00 32.97 ? 350 HOH B O   1 
HETATM 1642 O O   . HOH F 5 .   ? -38.871 -15.355 -11.868 1.00 36.07 ? 351 HOH B O   1 
HETATM 1643 O O   . HOH F 5 .   ? -36.451 -23.058 -30.988 1.00 35.98 ? 352 HOH B O   1 
HETATM 1644 O O   . HOH F 5 .   ? -34.163 -22.056 -31.448 1.00 19.60 ? 353 HOH B O   1 
HETATM 1645 O O   . HOH F 5 .   ? -35.694 -4.653  -42.265 1.00 22.99 ? 354 HOH B O   1 
HETATM 1646 O O   . HOH F 5 .   ? -19.554 -4.388  -22.089 1.00 22.10 ? 355 HOH B O   1 
HETATM 1647 O O   . HOH F 5 .   ? -25.719 -14.147 -3.310  1.00 39.43 ? 356 HOH B O   1 
HETATM 1648 O O   . HOH F 5 .   ? -36.393 -1.893  -33.880 1.00 21.77 ? 357 HOH B O   1 
HETATM 1649 O O   . HOH F 5 .   ? -13.644 -20.994 -35.205 1.00 44.48 ? 358 HOH B O   1 
HETATM 1650 O O   . HOH F 5 .   ? -27.227 -20.322 -6.997  1.00 21.50 ? 359 HOH B O   1 
HETATM 1651 O O   . HOH F 5 .   ? -37.011 -25.545 -23.599 1.00 39.02 ? 360 HOH B O   1 
HETATM 1652 O O   . HOH F 5 .   ? -26.872 -17.789 -7.812  1.00 20.87 ? 361 HOH B O   1 
HETATM 1653 O O   . HOH F 5 .   ? -28.482 -21.527 -8.922  1.00 25.68 ? 362 HOH B O   1 
HETATM 1654 O O   . HOH F 5 .   ? -9.610  -15.935 -26.552 1.00 35.13 ? 363 HOH B O   1 
HETATM 1655 O O   . HOH F 5 .   ? -33.642 -1.965  -38.416 1.00 26.93 ? 364 HOH B O   1 
HETATM 1656 O O   . HOH F 5 .   ? -18.610 -4.691  -24.747 1.00 20.21 ? 365 HOH B O   1 
HETATM 1657 O O   . HOH F 5 .   ? -40.393 -14.445 -31.438 1.00 16.49 ? 366 HOH B O   1 
HETATM 1658 O O   . HOH F 5 .   ? -19.912 1.632   -30.548 1.00 35.31 ? 367 HOH B O   1 
HETATM 1659 O O   . HOH F 5 .   ? -43.968 -0.625  -24.254 1.00 39.57 ? 368 HOH B O   1 
HETATM 1660 O O   . HOH F 5 .   ? -45.670 -19.719 -31.815 1.00 34.43 ? 369 HOH B O   1 
HETATM 1661 O O   . HOH F 5 .   ? -26.632 -25.961 -16.322 1.00 21.13 ? 370 HOH B O   1 
HETATM 1662 O O   . HOH F 5 .   ? -15.272 -19.786 -37.602 1.00 29.50 ? 371 HOH B O   1 
HETATM 1663 O O   . HOH F 5 .   ? -23.494 4.296   -24.722 1.00 33.55 ? 372 HOH B O   1 
HETATM 1664 O O   . HOH F 5 .   ? -19.248 -29.303 -23.678 1.00 37.37 ? 373 HOH B O   1 
HETATM 1665 O O   . HOH F 5 .   ? -25.487 -10.561 -23.583 1.00 18.36 ? 374 HOH B O   1 
HETATM 1666 O O   . HOH F 5 .   ? -34.011 -22.028 -36.624 1.00 44.81 ? 375 HOH B O   1 
HETATM 1667 O O   . HOH F 5 .   ? -42.503 -4.018  -39.559 1.00 23.13 ? 376 HOH B O   1 
HETATM 1668 O O   . HOH F 5 .   ? -25.106 -15.124 -6.881  1.00 21.80 ? 377 HOH B O   1 
HETATM 1669 O O   . HOH F 5 .   ? -36.064 -3.657  -10.112 1.00 45.56 ? 378 HOH B O   1 
HETATM 1670 O O   . HOH F 5 .   ? -32.459 -5.095  -12.985 1.00 17.73 ? 379 HOH B O   1 
HETATM 1671 O O   . HOH F 5 .   ? -28.887 7.633   -30.154 1.00 35.01 ? 380 HOH B O   1 
HETATM 1672 O O   . HOH F 5 .   ? -23.895 -21.236 -38.725 1.00 22.63 ? 381 HOH B O   1 
HETATM 1673 O O   . HOH F 5 .   ? -25.167 -11.104 -4.175  1.00 28.65 ? 382 HOH B O   1 
HETATM 1674 O O   . HOH F 5 .   ? -36.550 -1.021  -22.131 1.00 17.17 ? 383 HOH B O   1 
HETATM 1675 O O   . HOH F 5 .   ? -21.075 -16.552 -5.525  1.00 19.75 ? 384 HOH B O   1 
HETATM 1676 O O   . HOH F 5 .   ? -31.156 3.882   -24.388 1.00 24.81 ? 385 HOH B O   1 
HETATM 1677 O O   . HOH F 5 .   ? -42.650 -5.916  -12.185 1.00 24.96 ? 386 HOH B O   1 
HETATM 1678 O O   . HOH F 5 .   ? -23.300 2.331   -23.136 1.00 37.36 ? 387 HOH B O   1 
HETATM 1679 O O   . HOH F 5 .   ? -33.474 -14.811 -7.054  1.00 25.72 ? 388 HOH B O   1 
HETATM 1680 O O   . HOH F 5 .   ? -31.562 3.285   -26.942 1.00 24.35 ? 389 HOH B O   1 
HETATM 1681 O O   . HOH F 5 .   ? -41.140 -6.060  -38.132 1.00 37.82 ? 390 HOH B O   1 
HETATM 1682 O O   . HOH F 5 .   ? -18.352 -17.349 -36.381 1.00 31.72 ? 391 HOH B O   1 
HETATM 1683 O O   . HOH F 5 .   ? -38.630 4.079   -13.664 1.00 33.50 ? 392 HOH B O   1 
HETATM 1684 O O   . HOH F 5 .   ? -37.075 0.870   -15.647 1.00 19.61 ? 393 HOH B O   1 
HETATM 1685 O O   . HOH F 5 .   ? -19.941 2.188   -24.275 1.00 40.85 ? 394 HOH B O   1 
HETATM 1686 O O   . HOH F 5 .   ? -34.388 -7.176  -8.188  1.00 31.64 ? 395 HOH B O   1 
HETATM 1687 O O   . HOH F 5 .   ? -13.202 -6.214  -29.105 1.00 34.63 ? 396 HOH B O   1 
HETATM 1688 O O   . HOH F 5 .   ? -41.168 -9.763  -36.858 1.00 42.23 ? 397 HOH B O   1 
HETATM 1689 O O   . HOH F 5 .   ? -17.824 -19.874 -37.733 1.00 32.13 ? 398 HOH B O   1 
HETATM 1690 O O   . HOH F 5 .   ? -42.501 -5.047  -43.794 1.00 26.09 ? 399 HOH B O   1 
HETATM 1691 O O   . HOH F 5 .   ? -41.504 -8.555  -13.427 1.00 27.51 ? 400 HOH B O   1 
HETATM 1692 O O   . HOH F 5 .   ? -45.977 -4.274  -34.287 1.00 26.01 ? 401 HOH B O   1 
HETATM 1693 O O   . HOH F 5 .   ? -24.288 -12.426 -6.575  1.00 21.58 ? 402 HOH B O   1 
HETATM 1694 O O   . HOH F 5 .   ? -17.994 -11.204 -35.614 1.00 29.85 ? 403 HOH B O   1 
HETATM 1695 O O   . HOH F 5 .   ? -40.017 -11.587 -22.751 1.00 33.34 ? 404 HOH B O   1 
HETATM 1696 O O   . HOH F 5 .   ? -41.292 -8.837  -19.493 1.00 18.70 ? 405 HOH B O   1 
HETATM 1697 O O   . HOH F 5 .   ? -18.159 -16.037 -6.179  1.00 26.51 ? 406 HOH B O   1 
HETATM 1698 O O   . HOH F 5 .   ? -16.043 -14.671 -8.765  1.00 44.36 ? 407 HOH B O   1 
HETATM 1699 O O   . HOH F 5 .   ? -45.280 -15.190 -27.476 1.00 51.88 ? 408 HOH B O   1 
HETATM 1700 O O   . HOH F 5 .   ? -14.523 -16.499 -33.035 1.00 28.97 ? 409 HOH B O   1 
HETATM 1701 O O   . HOH F 5 .   ? -39.893 2.573   -16.124 1.00 24.20 ? 410 HOH B O   1 
HETATM 1702 O O   . HOH F 5 .   ? -30.660 -17.584 -42.984 1.00 40.75 ? 411 HOH B O   1 
HETATM 1703 O O   . HOH F 5 .   ? -43.414 3.731   -18.742 1.00 27.61 ? 412 HOH B O   1 
HETATM 1704 O O   . HOH F 5 .   ? -25.262 6.843   -29.074 1.00 39.10 ? 413 HOH B O   1 
HETATM 1705 O O   . HOH F 5 .   ? -40.482 -7.512  -34.808 1.00 22.58 ? 414 HOH B O   1 
HETATM 1706 O O   . HOH F 5 .   ? -41.301 5.326   -28.489 1.00 34.66 ? 415 HOH B O   1 
HETATM 1707 O O   . HOH F 5 .   ? -12.575 -18.368 -34.989 1.00 36.70 ? 416 HOH B O   1 
HETATM 1708 O O   . HOH F 5 .   ? -34.657 -9.144  -6.022  1.00 44.66 ? 417 HOH B O   1 
HETATM 1709 O O   . HOH F 5 .   ? -41.822 -9.739  -43.859 1.00 42.77 ? 418 HOH B O   1 
HETATM 1710 O O   . HOH F 5 .   ? -40.987 6.533   -33.175 1.00 34.87 ? 419 HOH B O   1 
HETATM 1711 O O   . HOH F 5 .   ? -47.792 0.000   -32.861 0.50 33.03 ? 420 HOH B O   1 
HETATM 1712 O O   . HOH F 5 .   ? -36.755 -6.597  -9.098  1.00 38.77 ? 421 HOH B O   1 
HETATM 1713 O O   . HOH F 5 .   ? -16.320 -7.465  -11.347 1.00 36.21 ? 422 HOH B O   1 
HETATM 1714 O O   . HOH F 5 .   ? -32.452 -23.470 -33.188 1.00 35.58 ? 423 HOH B O   1 
HETATM 1715 O O   . HOH F 5 .   ? -26.269 -31.404 -24.084 1.00 40.85 ? 424 HOH B O   1 
HETATM 1716 O O   . HOH F 5 .   ? -28.379 -27.804 -16.669 1.00 28.95 ? 425 HOH B O   1 
HETATM 1717 O O   . HOH F 5 .   ? -22.056 7.049   -32.226 1.00 41.42 ? 426 HOH B O   1 
HETATM 1718 O O   . HOH F 5 .   ? -8.465  -23.399 -30.074 1.00 37.29 ? 427 HOH B O   1 
HETATM 1719 O O   . HOH F 5 .   ? -40.271 5.017   -22.108 1.00 38.06 ? 428 HOH B O   1 
HETATM 1720 O O   . HOH F 5 .   ? -16.175 -21.956 -14.677 1.00 38.12 ? 429 HOH B O   1 
HETATM 1721 O O   . HOH F 5 .   ? -22.728 3.054   -20.564 1.00 42.78 ? 430 HOH B O   1 
HETATM 1722 O O   . HOH F 5 .   ? -38.783 -16.368 -40.977 1.00 40.99 ? 431 HOH B O   1 
HETATM 1723 O O   . HOH F 5 .   ? -36.772 2.323   -43.081 1.00 45.86 ? 432 HOH B O   1 
HETATM 1724 O O   . HOH F 5 .   ? -16.678 -26.651 -17.203 1.00 49.35 ? 433 HOH B O   1 
HETATM 1725 O O   . HOH F 5 .   ? -42.224 -13.156 -22.594 1.00 38.80 ? 434 HOH B O   1 
# 
