data_7HMO
# 
_entry.id   7HMO 
# 
_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   7HMO         pdb_00007hmo 10.2210/pdb7hmo/pdb 
WWPDB D_1001407666 ?            ?                   
# 
_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                        7HMO 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'         21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn 1,2-ETHANEDIOL                               62.068    2   ?        ? ? ? 
3 non-polymer syn '4-(4-fluorophenyl)piperazine-1-carboxamide' 223.247   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                96.063    1   ?        ? ? ? 
5 water       nat water                                        18.015    139 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 1,2-ETHANEDIOL                               EDO 
3 '4-(4-fluorophenyl)piperazine-1-carboxamide' O1M 
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 
O1M non-polymer         . '4-(4-fluorophenyl)piperazine-1-carboxamide' ?                 'C11 H14 F N3 O' 223.247 
PHE 'L-peptide linking' y PHENYLALANINE                                ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                                      ?                 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                                       ?                 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'                                ?                 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE                                    ?                 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                   ?                 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                                     ?                 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                                       ?                 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        O1M 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   O1M 
_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 O1M 1   202 302 O1M LIG B . 
D 2 EDO 1   203 305 EDO EDO B . 
E 4 SO4 1   204 1   SO4 SO4 B . 
F 5 HOH 1   301 29  HOH HOH B . 
F 5 HOH 2   302 12  HOH HOH B . 
F 5 HOH 3   303 2   HOH HOH B . 
F 5 HOH 4   304 22  HOH HOH B . 
F 5 HOH 5   305 11  HOH HOH B . 
F 5 HOH 6   306 80  HOH HOH B . 
F 5 HOH 7   307 129 HOH HOH B . 
F 5 HOH 8   308 184 HOH HOH B . 
F 5 HOH 9   309 26  HOH HOH B . 
F 5 HOH 10  310 33  HOH HOH B . 
F 5 HOH 11  311 16  HOH HOH B . 
F 5 HOH 12  312 63  HOH HOH B . 
F 5 HOH 13  313 21  HOH HOH B . 
F 5 HOH 14  314 90  HOH HOH B . 
F 5 HOH 15  315 102 HOH HOH B . 
F 5 HOH 16  316 267 HOH HOH B . 
F 5 HOH 17  317 1   HOH HOH B . 
F 5 HOH 18  318 27  HOH HOH B . 
F 5 HOH 19  319 10  HOH HOH B . 
F 5 HOH 20  320 5   HOH HOH B . 
F 5 HOH 21  321 100 HOH HOH B . 
F 5 HOH 22  322 70  HOH HOH B . 
F 5 HOH 23  323 66  HOH HOH B . 
F 5 HOH 24  324 31  HOH HOH B . 
F 5 HOH 25  325 214 HOH HOH B . 
F 5 HOH 26  326 34  HOH HOH B . 
F 5 HOH 27  327 39  HOH HOH B . 
F 5 HOH 28  328 58  HOH HOH B . 
F 5 HOH 29  329 11  HOH HOH B . 
F 5 HOH 30  330 95  HOH HOH B . 
F 5 HOH 31  331 197 HOH HOH B . 
F 5 HOH 32  332 81  HOH HOH B . 
F 5 HOH 33  333 18  HOH HOH B . 
F 5 HOH 34  334 30  HOH HOH B . 
F 5 HOH 35  335 22  HOH HOH B . 
F 5 HOH 36  336 2   HOH HOH B . 
F 5 HOH 37  337 7   HOH HOH B . 
F 5 HOH 38  338 76  HOH HOH B . 
F 5 HOH 39  339 16  HOH HOH B . 
F 5 HOH 40  340 73  HOH HOH B . 
F 5 HOH 41  341 29  HOH HOH B . 
F 5 HOH 42  342 36  HOH HOH B . 
F 5 HOH 43  343 40  HOH HOH B . 
F 5 HOH 44  344 27  HOH HOH B . 
F 5 HOH 45  345 20  HOH HOH B . 
F 5 HOH 46  346 68  HOH HOH B . 
F 5 HOH 47  347 19  HOH HOH B . 
F 5 HOH 48  348 26  HOH HOH B . 
F 5 HOH 49  349 32  HOH HOH B . 
F 5 HOH 50  350 89  HOH HOH B . 
F 5 HOH 51  351 25  HOH HOH B . 
F 5 HOH 52  352 3   HOH HOH B . 
F 5 HOH 53  353 50  HOH HOH B . 
F 5 HOH 54  354 43  HOH HOH B . 
F 5 HOH 55  355 86  HOH HOH B . 
F 5 HOH 56  356 126 HOH HOH B . 
F 5 HOH 57  357 3   HOH HOH B . 
F 5 HOH 58  358 6   HOH HOH B . 
F 5 HOH 59  359 62  HOH HOH B . 
F 5 HOH 60  360 55  HOH HOH B . 
F 5 HOH 61  361 51  HOH HOH B . 
F 5 HOH 62  362 15  HOH HOH B . 
F 5 HOH 63  363 59  HOH HOH B . 
F 5 HOH 64  364 64  HOH HOH B . 
F 5 HOH 65  365 4   HOH HOH B . 
F 5 HOH 66  366 1   HOH HOH B . 
F 5 HOH 67  367 157 HOH HOH B . 
F 5 HOH 68  368 211 HOH HOH B . 
F 5 HOH 69  369 304 HOH HOH B . 
F 5 HOH 70  370 172 HOH HOH B . 
F 5 HOH 71  371 8   HOH HOH B . 
F 5 HOH 72  372 281 HOH HOH B . 
F 5 HOH 73  373 10  HOH HOH B . 
F 5 HOH 74  374 71  HOH HOH B . 
F 5 HOH 75  375 61  HOH HOH B . 
F 5 HOH 76  376 47  HOH HOH B . 
F 5 HOH 77  377 24  HOH HOH B . 
F 5 HOH 78  378 60  HOH HOH B . 
F 5 HOH 79  379 46  HOH HOH B . 
F 5 HOH 80  380 32  HOH HOH B . 
F 5 HOH 81  381 45  HOH HOH B . 
F 5 HOH 82  382 93  HOH HOH B . 
F 5 HOH 83  383 23  HOH HOH B . 
F 5 HOH 84  384 263 HOH HOH B . 
F 5 HOH 85  385 103 HOH HOH B . 
F 5 HOH 86  386 42  HOH HOH B . 
F 5 HOH 87  387 14  HOH HOH B . 
F 5 HOH 88  388 4   HOH HOH B . 
F 5 HOH 89  389 8   HOH HOH B . 
F 5 HOH 90  390 98  HOH HOH B . 
F 5 HOH 91  391 12  HOH HOH B . 
F 5 HOH 92  392 303 HOH HOH B . 
F 5 HOH 93  393 72  HOH HOH B . 
F 5 HOH 94  394 33  HOH HOH B . 
F 5 HOH 95  395 137 HOH HOH B . 
F 5 HOH 96  396 49  HOH HOH B . 
F 5 HOH 97  397 48  HOH HOH B . 
F 5 HOH 98  398 264 HOH HOH B . 
F 5 HOH 99  399 85  HOH HOH B . 
F 5 HOH 100 400 28  HOH HOH B . 
F 5 HOH 101 401 257 HOH HOH B . 
F 5 HOH 102 402 57  HOH HOH B . 
F 5 HOH 103 403 56  HOH HOH B . 
F 5 HOH 104 404 97  HOH HOH B . 
F 5 HOH 105 405 112 HOH HOH B . 
F 5 HOH 106 406 38  HOH HOH B . 
F 5 HOH 107 407 17  HOH HOH B . 
F 5 HOH 108 408 54  HOH HOH B . 
F 5 HOH 109 409 7   HOH HOH B . 
F 5 HOH 110 410 25  HOH HOH B . 
F 5 HOH 111 411 15  HOH HOH B . 
F 5 HOH 112 412 120 HOH HOH B . 
F 5 HOH 113 413 99  HOH HOH B . 
F 5 HOH 114 414 53  HOH HOH B . 
F 5 HOH 115 415 69  HOH HOH B . 
F 5 HOH 116 416 140 HOH HOH B . 
F 5 HOH 117 417 125 HOH HOH B . 
F 5 HOH 118 418 20  HOH HOH B . 
F 5 HOH 119 419 41  HOH HOH B . 
F 5 HOH 120 420 44  HOH HOH B . 
F 5 HOH 121 421 114 HOH HOH B . 
F 5 HOH 122 422 5   HOH HOH B . 
F 5 HOH 123 423 19  HOH HOH B . 
F 5 HOH 124 424 133 HOH HOH B . 
F 5 HOH 125 425 18  HOH HOH B . 
F 5 HOH 126 426 266 HOH HOH B . 
F 5 HOH 127 427 115 HOH HOH B . 
F 5 HOH 128 428 30  HOH HOH B . 
F 5 HOH 129 429 21  HOH HOH B . 
F 5 HOH 130 430 23  HOH HOH B . 
F 5 HOH 131 431 13  HOH HOH B . 
F 5 HOH 132 432 104 HOH HOH B . 
F 5 HOH 133 433 205 HOH HOH B . 
F 5 HOH 134 434 166 HOH HOH B . 
F 5 HOH 135 435 127 HOH HOH B . 
F 5 HOH 136 436 14  HOH HOH B . 
F 5 HOH 137 437 131 HOH HOH B . 
F 5 HOH 138 438 270 HOH HOH B . 
F 5 HOH 139 439 259 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           7HMO 
_cell.length_a           95.648 
_cell.length_b           95.648 
_cell.length_c           45.813 
_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                         7HMO 
_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          7HMO 
_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   49.30 
_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                     7HMO 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.620 
_reflns.d_resolution_high            1.300 
_reflns.number_obs                   45987 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         90.200 
_reflns.pdbx_Rmerge_I_obs            0.106 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        13.700 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              12.300 
_reflns.pdbx_Rrim_I_all              0.110 
_reflns.pdbx_Rpim_I_all              0.031 
_reflns.pdbx_CC_half                 0.998 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     566849 
_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 1.300 1.320  ? 9337 1202 ? 2.097 ? ? ? 7.800  ? 0.600  ? ? ? ? ? ? 48.400 2.248 0.789 0.396 
1 2 7.120 67.620 ? 4271 340  ? 0.056 ? ? ? 12.600 ? 77.700 ? ? ? ? ? ? 99.700 0.058 0.016 1.000 
# 
_refine.entry_id                                 7HMO 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3000 
_refine.ls_d_res_low                             67.6300 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    90.0500 
_refine.ls_number_reflns_obs                     43710 
_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                          0.1807 
_refine.ls_R_factor_R_work                       0.1796 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2010 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2244 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               17.3640 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1900 
_refine.aniso_B[2][2]                            0.1900 
_refine.aniso_B[3][3]                            -0.3700 
_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               0.9660 
_refine.correlation_coeff_Fo_to_Fc_free          0.9570 
_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                       0.0580 
_refine.pdbx_overall_ESU_R_Free                  0.0580 
_refine.overall_SU_ML                            0.0480 
_refine.overall_SU_B                             1.2850 
_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                                94.800 
_refine.B_iso_min                                8.860 
_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                       1.3000 
_refine_hist.d_res_low                        67.6300 
_refine_hist.pdbx_number_atoms_ligand         29 
_refine_hist.number_atoms_solvent             139 
_refine_hist.number_atoms_total               1661 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           31.34 
_refine_hist.pdbx_B_iso_mean_solvent          28.07 
_refine_hist.pdbx_number_atoms_protein        1493 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.type 
_refine_ls_restr.number 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' r_bond_refined_d       2091 0.011  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1644 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2599 1.748  1.639  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3801 1.454  1.583  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 247  7.027  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 115  28.329 21.478 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 294  13.405 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   20.819 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         223  0.090  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2358 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     516  0.003  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            999  1.491  1.568  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         988  1.493  1.533  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1177 2.421  2.297  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3000 
_refine_ls_shell.d_res_low                        1.3340 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               48.4800 
_refine_ls_shell.number_reflns_R_work             1708 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3390 
_refine_ls_shell.R_factor_R_free                  0.3250 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             97 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                1805 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMO 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z198194394' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMO 
_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              7HMO 
_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 7HMO MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMO HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMO HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMO HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMO HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMO HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMO HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMO MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -2.00 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 103 ? N TRP B 109 O GLU A 110 ? O GLU B 116 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HMO 
_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             -105.70 
_pdbx_validate_torsion.psi             51.15 
# 
_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     421 
_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 
O1M N1   N N N 260 
O1M C4   C N N 261 
O1M C5   C Y N 262 
O1M C6   C Y N 263 
O1M C7   C Y N 264 
O1M C8   C Y N 265 
O1M C10  C Y N 266 
O1M N    N N N 267 
O1M C    C N N 268 
O1M O    O N N 269 
O1M C1   C N N 270 
O1M C2   C N N 271 
O1M C3   C N N 272 
O1M C9   C Y N 273 
O1M F    F N N 274 
O1M N2   N N N 275 
O1M H1   H N N 276 
O1M H2   H N N 277 
O1M H3   H N N 278 
O1M H4   H N N 279 
O1M H5   H N N 280 
O1M H6   H N N 281 
O1M H7   H N N 282 
O1M H8   H N N 283 
O1M H9   H N N 284 
O1M H10  H N N 285 
O1M H11  H N N 286 
O1M H12  H N N 287 
O1M H13  H N N 288 
O1M H14  H N N 289 
PHE N    N N N 290 
PHE CA   C N S 291 
PHE C    C N N 292 
PHE O    O N N 293 
PHE CB   C N N 294 
PHE CG   C Y N 295 
PHE CD1  C Y N 296 
PHE CD2  C Y N 297 
PHE CE1  C Y N 298 
PHE CE2  C Y N 299 
PHE CZ   C Y N 300 
PHE OXT  O N N 301 
PHE H    H N N 302 
PHE H2   H N N 303 
PHE HA   H N N 304 
PHE HB2  H N N 305 
PHE HB3  H N N 306 
PHE HD1  H N N 307 
PHE HD2  H N N 308 
PHE HE1  H N N 309 
PHE HE2  H N N 310 
PHE HZ   H N N 311 
PHE HXT  H N N 312 
PRO N    N N N 313 
PRO CA   C N S 314 
PRO C    C N N 315 
PRO O    O N N 316 
PRO CB   C N N 317 
PRO CG   C N N 318 
PRO CD   C N N 319 
PRO OXT  O N N 320 
PRO H    H N N 321 
PRO HA   H N N 322 
PRO HB2  H N N 323 
PRO HB3  H N N 324 
PRO HG2  H N N 325 
PRO HG3  H N N 326 
PRO HD2  H N N 327 
PRO HD3  H N N 328 
PRO HXT  H N N 329 
SER N    N N N 330 
SER CA   C N S 331 
SER C    C N N 332 
SER O    O N N 333 
SER CB   C N N 334 
SER OG   O N N 335 
SER OXT  O N N 336 
SER H    H N N 337 
SER H2   H N N 338 
SER HA   H N N 339 
SER HB2  H N N 340 
SER HB3  H N N 341 
SER HG   H N N 342 
SER HXT  H N N 343 
SO4 S    S N N 344 
SO4 O1   O N N 345 
SO4 O2   O N N 346 
SO4 O3   O N N 347 
SO4 O4   O N N 348 
THR N    N N N 349 
THR CA   C N S 350 
THR C    C N N 351 
THR O    O N N 352 
THR CB   C N R 353 
THR OG1  O N N 354 
THR CG2  C N N 355 
THR OXT  O N N 356 
THR H    H N N 357 
THR H2   H N N 358 
THR HA   H N N 359 
THR HB   H N N 360 
THR HG1  H N N 361 
THR HG21 H N N 362 
THR HG22 H N N 363 
THR HG23 H N N 364 
THR HXT  H N N 365 
TRP N    N N N 366 
TRP CA   C N S 367 
TRP C    C N N 368 
TRP O    O N N 369 
TRP CB   C N N 370 
TRP CG   C Y N 371 
TRP CD1  C Y N 372 
TRP CD2  C Y N 373 
TRP NE1  N Y N 374 
TRP CE2  C Y N 375 
TRP CE3  C Y N 376 
TRP CZ2  C Y N 377 
TRP CZ3  C Y N 378 
TRP CH2  C Y N 379 
TRP OXT  O N N 380 
TRP H    H N N 381 
TRP H2   H N N 382 
TRP HA   H N N 383 
TRP HB2  H N N 384 
TRP HB3  H N N 385 
TRP HD1  H N N 386 
TRP HE1  H N N 387 
TRP HE3  H N N 388 
TRP HZ2  H N N 389 
TRP HZ3  H N N 390 
TRP HH2  H N N 391 
TRP HXT  H N N 392 
TYR N    N N N 393 
TYR CA   C N S 394 
TYR C    C N N 395 
TYR O    O N N 396 
TYR CB   C N N 397 
TYR CG   C Y N 398 
TYR CD1  C Y N 399 
TYR CD2  C Y N 400 
TYR CE1  C Y N 401 
TYR CE2  C Y N 402 
TYR CZ   C Y N 403 
TYR OH   O N N 404 
TYR OXT  O N N 405 
TYR H    H N N 406 
TYR H2   H N N 407 
TYR HA   H N N 408 
TYR HB2  H N N 409 
TYR HB3  H N N 410 
TYR HD1  H N N 411 
TYR HD2  H N N 412 
TYR HE1  H N N 413 
TYR HE2  H N N 414 
TYR HH   H N N 415 
TYR HXT  H N N 416 
VAL N    N N N 417 
VAL CA   C N S 418 
VAL C    C N N 419 
VAL O    O N N 420 
VAL CB   C N N 421 
VAL CG1  C N N 422 
VAL CG2  C N N 423 
VAL OXT  O N N 424 
VAL H    H N N 425 
VAL H2   H N N 426 
VAL HA   H N N 427 
VAL HB   H N N 428 
VAL HG11 H N N 429 
VAL HG12 H N N 430 
VAL HG13 H N N 431 
VAL HG21 H N N 432 
VAL HG22 H N N 433 
VAL HG23 H N N 434 
VAL HXT  H N N 435 
# 
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 
O1M F   C8   sing N N 246 
O1M C8  C9   doub Y N 247 
O1M C8  C7   sing Y N 248 
O1M C9  C10  sing Y N 249 
O1M C7  C6   doub Y N 250 
O1M C10 C5   doub Y N 251 
O1M C6  C5   sing Y N 252 
O1M C5  N2   sing N N 253 
O1M N2  C3   sing N N 254 
O1M N2  C2   sing N N 255 
O1M C3  C4   sing N N 256 
O1M C2  C1   sing N N 257 
O1M C4  N1   sing N N 258 
O1M C1  N1   sing N N 259 
O1M N1  C    sing N N 260 
O1M C   N    sing N N 261 
O1M C   O    doub N N 262 
O1M C4  H1   sing N N 263 
O1M C4  H2   sing N N 264 
O1M C6  H3   sing N N 265 
O1M C7  H4   sing N N 266 
O1M C10 H5   sing N N 267 
O1M N   H6   sing N N 268 
O1M N   H7   sing N N 269 
O1M C1  H8   sing N N 270 
O1M C1  H9   sing N N 271 
O1M C2  H10  sing N N 272 
O1M C2  H11  sing N N 273 
O1M C3  H12  sing N N 274 
O1M C3  H13  sing N N 275 
O1M C9  H14  sing N N 276 
PHE N   CA   sing N N 277 
PHE N   H    sing N N 278 
PHE N   H2   sing N N 279 
PHE CA  C    sing N N 280 
PHE CA  CB   sing N N 281 
PHE CA  HA   sing N N 282 
PHE C   O    doub N N 283 
PHE C   OXT  sing N N 284 
PHE CB  CG   sing N N 285 
PHE CB  HB2  sing N N 286 
PHE CB  HB3  sing N N 287 
PHE CG  CD1  doub Y N 288 
PHE CG  CD2  sing Y N 289 
PHE CD1 CE1  sing Y N 290 
PHE CD1 HD1  sing N N 291 
PHE CD2 CE2  doub Y N 292 
PHE CD2 HD2  sing N N 293 
PHE CE1 CZ   doub Y N 294 
PHE CE1 HE1  sing N N 295 
PHE CE2 CZ   sing Y N 296 
PHE CE2 HE2  sing N N 297 
PHE CZ  HZ   sing N N 298 
PHE OXT HXT  sing N N 299 
PRO N   CA   sing N N 300 
PRO N   CD   sing N N 301 
PRO N   H    sing N N 302 
PRO CA  C    sing N N 303 
PRO CA  CB   sing N N 304 
PRO CA  HA   sing N N 305 
PRO C   O    doub N N 306 
PRO C   OXT  sing N N 307 
PRO CB  CG   sing N N 308 
PRO CB  HB2  sing N N 309 
PRO CB  HB3  sing N N 310 
PRO CG  CD   sing N N 311 
PRO CG  HG2  sing N N 312 
PRO CG  HG3  sing N N 313 
PRO CD  HD2  sing N N 314 
PRO CD  HD3  sing N N 315 
PRO OXT HXT  sing N N 316 
SER N   CA   sing N N 317 
SER N   H    sing N N 318 
SER N   H2   sing N N 319 
SER CA  C    sing N N 320 
SER CA  CB   sing N N 321 
SER CA  HA   sing N N 322 
SER C   O    doub N N 323 
SER C   OXT  sing N N 324 
SER CB  OG   sing N N 325 
SER CB  HB2  sing N N 326 
SER CB  HB3  sing N N 327 
SER OG  HG   sing N N 328 
SER OXT HXT  sing N N 329 
SO4 S   O1   doub N N 330 
SO4 S   O2   doub N N 331 
SO4 S   O3   sing N N 332 
SO4 S   O4   sing N N 333 
THR N   CA   sing N N 334 
THR N   H    sing N N 335 
THR N   H2   sing N N 336 
THR CA  C    sing N N 337 
THR CA  CB   sing N N 338 
THR CA  HA   sing N N 339 
THR C   O    doub N N 340 
THR C   OXT  sing N N 341 
THR CB  OG1  sing N N 342 
THR CB  CG2  sing N N 343 
THR CB  HB   sing N N 344 
THR OG1 HG1  sing N N 345 
THR CG2 HG21 sing N N 346 
THR CG2 HG22 sing N N 347 
THR CG2 HG23 sing N N 348 
THR OXT HXT  sing N N 349 
TRP N   CA   sing N N 350 
TRP N   H    sing N N 351 
TRP N   H2   sing N N 352 
TRP CA  C    sing N N 353 
TRP CA  CB   sing N N 354 
TRP CA  HA   sing N N 355 
TRP C   O    doub N N 356 
TRP C   OXT  sing N N 357 
TRP CB  CG   sing N N 358 
TRP CB  HB2  sing N N 359 
TRP CB  HB3  sing N N 360 
TRP CG  CD1  doub Y N 361 
TRP CG  CD2  sing Y N 362 
TRP CD1 NE1  sing Y N 363 
TRP CD1 HD1  sing N N 364 
TRP CD2 CE2  doub Y N 365 
TRP CD2 CE3  sing Y N 366 
TRP NE1 CE2  sing Y N 367 
TRP NE1 HE1  sing N N 368 
TRP CE2 CZ2  sing Y N 369 
TRP CE3 CZ3  doub Y N 370 
TRP CE3 HE3  sing N N 371 
TRP CZ2 CH2  doub Y N 372 
TRP CZ2 HZ2  sing N N 373 
TRP CZ3 CH2  sing Y N 374 
TRP CZ3 HZ3  sing N N 375 
TRP CH2 HH2  sing N N 376 
TRP OXT HXT  sing N N 377 
TYR N   CA   sing N N 378 
TYR N   H    sing N N 379 
TYR N   H2   sing N N 380 
TYR CA  C    sing N N 381 
TYR CA  CB   sing N N 382 
TYR CA  HA   sing N N 383 
TYR C   O    doub N N 384 
TYR C   OXT  sing N N 385 
TYR CB  CG   sing N N 386 
TYR CB  HB2  sing N N 387 
TYR CB  HB3  sing N N 388 
TYR CG  CD1  doub Y N 389 
TYR CG  CD2  sing Y N 390 
TYR CD1 CE1  sing Y N 391 
TYR CD1 HD1  sing N N 392 
TYR CD2 CE2  doub Y N 393 
TYR CD2 HD2  sing N N 394 
TYR CE1 CZ   doub Y N 395 
TYR CE1 HE1  sing N N 396 
TYR CE2 CZ   sing Y N 397 
TYR CE2 HE2  sing N N 398 
TYR CZ  OH   sing N N 399 
TYR OH  HH   sing N N 400 
TYR OXT HXT  sing N N 401 
VAL N   CA   sing N N 402 
VAL N   H    sing N N 403 
VAL N   H2   sing N N 404 
VAL CA  C    sing N N 405 
VAL CA  CB   sing N N 406 
VAL CA  HA   sing N N 407 
VAL C   O    doub N N 408 
VAL C   OXT  sing N N 409 
VAL CB  CG1  sing N N 410 
VAL CB  CG2  sing N N 411 
VAL CB  HB   sing N N 412 
VAL CG1 HG11 sing N N 413 
VAL CG1 HG12 sing N N 414 
VAL CG1 HG13 sing N N 415 
VAL CG2 HG21 sing N N 416 
VAL CG2 HG22 sing N N 417 
VAL CG2 HG23 sing N N 418 
VAL OXT HXT  sing N N 419 
# 
_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                    7HMO 
_atom_sites.fract_transf_matrix[1][1]   0.010455 
_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]   0.010455 
_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]   0.021828 
_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 
F 
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   ? -13.276 -13.029 -10.048 1.00 92.04 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.842 -13.547 -11.386 1.00 87.30 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.736 -12.653 -11.965 1.00 89.79 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.692 -11.448 -11.613 1.00 93.59 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -14.043 -13.665 -12.341 1.00 79.16 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.668 -12.361 -12.722 1.00 71.90 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -14.193 -11.590 -13.765 1.00 67.01 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.730 -11.694 -12.218 1.00 67.15 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.927 -10.502 -13.878 1.00 63.82 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.882 -10.543 -12.949 1.00 66.02 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.894 -13.229 -12.833 1.00 84.67 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.807  -12.546 -13.590 1.00 80.73 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.081 -12.685 -15.100 1.00 74.07 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.142  -13.057 -15.846 1.00 68.91 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.440  -13.096 -13.134 1.00 85.38 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.200  -12.977 -11.660 1.00 93.21 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -7.759  -11.803 -11.066 1.00 93.59 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.337  -13.872 -10.655 1.00 94.80 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.636  -11.983 -9.766  1.00 91.32 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -7.981  -13.245 -9.489  1.00 92.92 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.325 -12.390 -15.525 1.00 60.62 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.865 -12.598 -16.901 1.00 49.24 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.860 -11.283 -17.690 1.00 46.36 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.936 -11.353 -18.935 1.00 44.91 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.275 -13.212 -16.833 1.00 44.04 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.291 -14.622 -16.342 1.00 42.24 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.288 -15.541 -16.672 1.00 42.47 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.172 -15.291 -15.571 1.00 40.04 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.558 -16.707 -16.122 1.00 44.28 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.714 -16.584 -15.445 1.00 42.67 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.758 -10.138 -16.998 1.00 46.58 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.796 -8.762  -17.572 1.00 51.49 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.867 -8.644  -18.790 1.00 50.63 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.273 -7.946  -19.761 1.00 46.52 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.421 -7.694  -16.529 1.00 60.69 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.237 -7.727  -15.279 1.00 72.19 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.780 -8.323  -14.111 1.00 83.39 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.464 -7.236  -14.997 1.00 78.25 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.698 -8.201  -13.169 1.00 85.06 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.743 -7.539  -13.689 1.00 78.39 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.691  -9.302  -18.759 1.00 43.87 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.633  -9.214  -19.808 1.00 40.51 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.070  -9.849  -21.137 1.00 38.39 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.386  -9.571  -22.133 1.00 39.47 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.280  -9.757  -19.319 1.00 45.90 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.212  -11.218 -19.033 1.00 48.53 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.613  -12.119 -19.900 1.00 54.41 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.589  -11.929 -17.948 1.00 54.02 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.656  -13.329 -19.377 1.00 52.26 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.251  -13.242 -18.177 1.00 59.37 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.155 -10.641 -21.176 1.00 29.65 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.779 -11.159 -22.432 1.00 26.11 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.928 -10.263 -22.864 1.00 24.23 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.827 -10.761 -23.569 1.00 20.49 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.310 -12.577 -22.228 1.00 25.44 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.241 -13.516 -21.788 1.00 27.00 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.196  -13.866 -22.634 1.00 26.56 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.053 -14.174 -20.625 1.00 28.10 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.400  -14.712 -21.996 1.00 24.90 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.886  -14.916 -20.768 1.00 29.53 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.917 -9.006  -22.440 1.00 23.85 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.985 -8.031  -22.772 1.00 26.94 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.113 -7.889  -24.298 1.00 27.00 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.082 -7.824  -25.036 1.00 27.49 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.677 -6.671  -22.133 1.00 33.65 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.727 -5.571  -22.396 1.00 40.28 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.340 -5.775  -21.542 1.00 51.71 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.944 -5.198  -19.893 1.00 38.34 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.360 -7.831  -24.783 1.00 21.17 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.702 -7.653  -26.211 1.00 20.98 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.700 -6.485  -26.302 1.00 21.32 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.529 -6.290  -25.354 1.00 20.84 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.215 -8.949  -26.856 1.00 22.46 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.103 -9.987  -26.941 1.00 24.86 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.422 -9.549  -26.155 1.00 22.14 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.625 -5.726  -27.388 1.00 20.24 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.500 -4.553  -27.641 1.00 20.22 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.734 -5.059  -28.389 1.00 20.42 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.628 -5.435  -29.558 1.00 24.36 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.783 -3.512  -28.495 1.00 21.19 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.540 -2.235  -28.713 1.00 26.52 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.645 -1.256  -27.737 1.00 30.09 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.215 -1.766  -29.793 1.00 29.04 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.366 -0.239  -28.199 1.00 26.68 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.747 -0.539  -29.461 1.00 31.24 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.842 -5.187  -27.683 1.00 15.61 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -20.098 -5.713  -28.277 1.00 16.01 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.937 -4.526  -28.803 1.00 16.58 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.960 -3.480  -28.177 1.00 16.57 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.856 -6.543  -27.224 1.00 16.42 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -20.038 -7.735  -26.717 1.00 16.61 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.202 -6.959  -27.785 1.00 15.67 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.453 -8.610  -27.802 1.00 16.95 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.537 -4.707  -29.953 1.00 15.25 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.529 -3.751  -30.516 1.00 15.45 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.772 -4.527  -30.895 1.00 15.08 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.716 -5.753  -31.126 1.00 17.06 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.936 -2.998  -31.710 1.00 17.75 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.588 -3.893  -32.757 1.00 18.70 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.755 -2.126  -31.327 1.00 20.50 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.923 -3.837  -30.890 1.00 13.69 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.214 -4.487  -31.188 1.00 14.83 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.511 -4.471  -32.690 1.00 14.19 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.180 -3.458  -33.359 1.00 15.54 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.272 -3.747  -30.371 1.00 14.52 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -27.054 -3.795  -28.869 1.00 16.22 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.995 -2.884  -28.081 1.00 17.22 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.214 -5.223  -28.364 1.00 16.92 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -27.124 -5.506  -33.183 1.00 14.66 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.515 -5.677  -34.594 1.00 15.02 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -29.006 -5.281  -34.753 1.00 15.52 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.884 -6.091  -34.418 1.00 14.07 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.225 -7.102  -35.074 1.00 15.83 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.571 -7.389  -36.522 1.00 19.45 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.185 -6.505  -37.144 1.00 17.63 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.221 -8.490  -37.030 1.00 18.21 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.239 -4.065  -35.268 0.25 16.17 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.259 -4.074  -35.271 0.25 16.74 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.578 -3.459  -35.524 0.25 17.28 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.623 -3.496  -35.437 0.25 18.17 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.491 -4.431  -36.268 0.25 15.79 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.508 -4.422  -36.277 0.25 16.30 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.692 -4.445  -35.996 0.25 16.02 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.719 -4.421  -36.056 0.25 16.44 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.456 -2.211  -36.410 0.25 18.09 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.558 -2.111  -36.099 0.25 20.06 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.472 -1.166  -35.915 0.25 20.10 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.985 -1.011  -35.219 0.25 22.93 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.589 0.162   -36.655 0.25 20.50 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.495 -0.817  -35.450 0.25 26.11 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -29.006 1.215   -35.844 0.25 20.25 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.139 0.383   -36.209 0.25 28.38 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.655 1.798   -34.854 0.25 19.13 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.754 0.409   -37.483 0.25 30.57 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.904 1.454   -34.618 0.25 20.07 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.669 -0.702  -38.193 0.25 30.87 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -29.076 2.720   -34.113 0.25 19.98 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.430 1.560   -38.040 0.25 31.70 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.937 -5.181  -37.214 1.00 16.53 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.737 -5.996  -38.147 1.00 16.48 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.389 -7.176  -37.422 1.00 14.41 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.375 -7.705  -37.911 1.00 14.69 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.870 -6.378  -39.361 1.00 20.66 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.617 -5.191  -40.286 1.00 27.76 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.370 -4.207  -40.318 1.00 34.75 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.556 -5.275  -41.069 1.00 36.43 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.835 -7.594  -36.258 1.00 12.52 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.372 -8.721  -35.463 1.00 12.86 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.396 -8.226  -34.445 1.00 11.78 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -34.038 -9.079  -33.820 1.00 11.94 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.277 -9.523  -34.746 1.00 12.41 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.700 -8.715  -33.706 1.00 12.25 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.241 -10.024 -35.737 1.00 12.90 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.469 -6.917  -34.205 1.00 11.78 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.290 -6.389  -33.098 1.00 11.64 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.774 -6.569  -33.366 1.00 12.74 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.272 -6.304  -34.463 1.00 12.27 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.968 -4.942  -32.866 1.00 11.98 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.516 -6.879  -32.321 1.00 11.38 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.981 -6.668  -32.350 1.00 12.03 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.261 -5.229  -32.801 1.00 12.18 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.566 -4.282  -32.422 1.00 11.42 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.529 -7.001  -30.974 1.00 12.62 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -40.013 -6.790  -30.893 1.00 15.93 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.463 -5.664  -30.718 1.00 15.20 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.743 -7.863  -31.066 1.00 18.54 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.324 -5.066  -33.574 1.00 12.66 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.662 -3.789  -34.236 1.00 12.92 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -40.076 -2.696  -33.261 1.00 13.20 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.143 -1.549  -33.719 1.00 14.31 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.754 -3.970  -35.244 1.00 15.08 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.861 -4.495  -34.565 1.00 19.49 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.298 -2.988  -31.975 1.00 12.25 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.571 -1.949  -30.947 1.00 12.67 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.324 -1.465  -30.244 1.00 12.79 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.466 -0.553  -29.450 1.00 13.10 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.563 -2.486  -29.952 1.00 14.20 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.953 -2.562  -30.492 1.00 15.17 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.353 -3.100  -31.682 1.00 17.55 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -44.124 -2.094  -29.823 1.00 16.74 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.718 -3.016  -31.797 1.00 21.52 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.217 -2.420  -30.664 1.00 17.64 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.346 -1.447  -28.611 1.00 18.87 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.527 -2.087  -30.295 1.00 20.43 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.640 -1.097  -28.265 1.00 21.20 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.703 -1.479  -29.068 1.00 22.21 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -38.138 -2.030  -30.531 1.00 12.18 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.915 -1.624  -29.810 1.00 12.50 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.300 -0.390  -30.459 1.00 12.32 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.279 -0.244  -31.677 1.00 13.16 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.889 -2.760  -29.756 1.00 11.24 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.365 -4.028  -29.045 1.00 13.13 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.290 -5.093  -28.960 1.00 12.18 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.859 -3.729  -27.666 1.00 13.77 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.684 0.395   -29.592 1.00 11.69 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.880 1.587   -29.980 1.00 12.63 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.440 1.348   -29.544 1.00 13.02 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.168 1.276   -28.329 1.00 13.50 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.424 2.865   -29.365 1.00 13.62 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.912 3.100   -29.709 1.00 14.53 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.553 4.057   -29.797 1.00 14.35 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.511 4.242   -29.023 1.00 16.16 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.579 1.199   -30.547 1.00 14.75 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -31.123 0.997   -30.362 1.00 15.81 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.448 2.347   -30.551 1.00 16.16 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.735 3.054   -31.576 1.00 17.55 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.603 -0.074  -31.318 1.00 16.47 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.120 -1.454  -30.918 1.00 18.89 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -29.075 -0.060  -31.324 1.00 16.70 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.935 -2.458  -31.931 1.00 23.97 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.581 2.735   -29.641 1.00 15.54 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.885 4.034   -29.722 1.00 15.75 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.959 4.105   -30.945 1.00 15.56 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.600 3.069   -31.525 1.00 16.50 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -28.143 4.231   -28.432 1.00 15.79 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -27.144 3.220   -28.302 1.00 16.04 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.594 5.337   -31.333 1.00 19.11 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.712 5.609   -32.499 1.00 20.37 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.417 4.798   -32.403 1.00 18.92 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.971 4.286   -33.434 1.00 20.27 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.441 7.120   -32.509 1.00 24.84 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.457 7.578   -33.560 1.00 30.36 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.560 9.064   -33.756 1.00 29.75 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.509 9.845   -32.471 1.00 34.40 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.379 11.277  -32.824 1.00 38.29 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.852 4.710   -31.204 1.00 18.50 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.563 3.997   -30.981 1.00 18.32 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.765 2.479   -30.921 1.00 17.12 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.737 1.753   -30.788 1.00 17.09 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.831 4.519   -29.755 1.00 19.03 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.490 4.266   -28.416 1.00 19.80 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.568 3.612   -28.362 1.00 19.80 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.894 4.704   -27.423 1.00 24.20 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -25.007 2.007   -30.994 1.00 15.61 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.338 0.564   -30.999 1.00 15.21 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.903 -0.068  -29.660 1.00 12.77 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.727 -1.298  -29.642 1.00 13.78 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.770 -0.113  -32.266 1.00 19.43 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.381 0.461   -33.544 1.00 24.53 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.915 -0.111  -34.877 1.00 34.13 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.482 -0.222  -35.032 1.00 45.29 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.778 -1.359  -34.938 1.00 63.33 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.373 -2.526  -34.688 1.00 65.32 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.463 -1.322  -35.105 1.00 65.34 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.827 0.692   -28.580 1.00 12.28 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.430 0.153   -27.268 1.00 13.53 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.586 0.140   -26.274 1.00 13.28 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.386 -0.404  -25.138 1.00 14.37 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.234 0.917   -26.681 1.00 15.62 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -22.022 0.824   -27.601 1.00 17.88 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.178 -0.388  -27.321 1.00 19.79 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.419 -0.179  -26.086 1.00 20.29 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.687 -1.110  -25.499 1.00 20.70 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.585 -2.297  -26.050 1.00 20.08 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -19.050 -0.832  -24.379 1.00 20.74 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.757 0.707   -26.586 1.00 12.36 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.911 0.725   -25.666 1.00 13.37 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.171 0.337   -26.411 1.00 12.60 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.284 0.584   -27.639 1.00 12.45 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -28.169 2.094   -25.025 1.00 15.73 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.921 2.704   -24.447 1.00 18.60 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.211 3.961   -23.658 1.00 22.63 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.344 4.292   -23.343 1.00 25.19 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.139 4.642   -23.311 1.00 27.36 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -30.095 -0.296  -25.689 1.00 11.04 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.404 -0.664  -26.284 1.00 11.52 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.490 -0.474  -25.229 1.00 11.26 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.297 -0.848  -24.060 1.00 11.48 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.369 -2.068  -26.915 1.00 10.56 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.947 -3.155  -25.911 1.00 10.61 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.698 -2.426  -27.591 1.00 12.05 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.634 0.017   -25.647 1.00 11.53 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.811 0.113   -24.773 1.00 12.11 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -36.077 -0.167  -25.551 1.00 12.68 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -36.108 -0.080  -26.797 1.00 12.01 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.896 1.471   -24.067 1.00 13.16 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.206 2.635   -25.001 1.00 15.54 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.082 3.962   -24.246 1.00 18.92 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.397 5.058   -25.169 1.00 21.56 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.598 5.551   -25.415 1.00 19.48 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.670 5.038   -24.873 1.00 22.60 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.736 6.563   -26.284 1.00 25.54 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -37.129 -0.470  -24.793 0.25 11.99 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -37.153 -0.494  -24.833 0.25 13.57 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.500 -0.654  -25.320 0.25 13.18 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.466 -0.790  -25.468 0.25 15.89 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -39.041 0.709   -25.759 0.25 13.61 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.211 0.526   -25.712 0.25 15.46 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.960 1.682   -24.988 0.25 13.38 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.506 1.224   -24.710 0.25 15.12 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.401 -1.259  -24.242 0.25 13.36 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.331 -1.718  -24.611 0.25 18.56 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.849 -1.434  -24.699 0.25 14.11 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.693 -1.995  -25.258 0.25 21.79 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.997 -2.566  -26.134 0.25 14.29 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.209 -3.739  -25.211 0.25 25.92 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.569 -3.373  -25.844 0.25 17.00 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.223 -3.834  -26.686 0.25 24.27 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.539 0.793   -26.983 1.00 14.57 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.276 1.993   -27.433 1.00 16.36 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.741 1.869   -27.026 1.00 18.27 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.183 0.798   -26.622 1.00 17.97 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.494 2.967   -27.121 0.50 20.83 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.928 2.961   -26.717 0.50 22.35 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.773 2.393   -27.867 0.50 22.56 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.932 1.990   -27.604 0.50 20.33 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.388 4.342   -26.241 0.50 25.25 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -44.510 5.395   -27.324 0.50 25.79 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -45.512 6.150   -27.286 0.50 30.68 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.606 5.481   -28.167 0.50 27.29 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.185 2.282   -29.064 1.00 21.16 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.907 1.894   -30.322 1.00 20.21 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.963 1.134   -31.269 1.00 17.23 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.679 1.109   -31.093 1.00 15.47 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.459 3.164   -30.991 1.00 21.22 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.322 2.802   -32.059 1.00 24.35 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.344 4.019   -31.553 1.00 23.20 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.478 0.650   -32.395 1.00 17.81 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.655 0.182   -33.538 1.00 16.95 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.685 1.275   -33.965 1.00 17.77 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.135 2.435   -34.197 1.00 18.73 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.590 -0.282  -34.670 1.00 17.99 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.947 -0.946  -35.843 1.00 16.26 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.169 -0.272  -36.780 1.00 17.97 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -44.044 -2.224  -36.250 1.00 16.15 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.806 -1.137  -37.711 1.00 17.49 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.322 -2.375  -37.379 1.00 17.40 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.411 0.943   -34.221 1.00 15.67 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.358 1.927   -34.529 1.00 15.93 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.148 2.221   -36.033 1.00 18.90 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.102 2.810   -36.428 1.00 18.92 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -39.078 1.526   -33.820 1.00 16.95 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.206 1.637   -32.323 1.00 16.16 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.671 2.983   -31.843 1.00 15.94 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.649 3.117   -31.106 1.00 18.61 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -39.008 4.021   -32.308 1.00 14.86 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.122 1.906   -36.860 1.00 16.30 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.199 2.397   -38.267 1.00 14.63 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.106 1.757   -39.123 1.00 17.01 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.563 2.408   -40.008 1.00 18.25 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.278 3.935   -38.347 1.00 16.11 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.864 4.384   -39.684 1.00 16.86 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.714 3.711   -40.262 1.00 14.57 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.392 5.504   -40.220 1.00 15.90 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.832 0.482   -38.884 1.00 18.55 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.848 -0.339  -39.642 1.00 18.44 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.633 -1.396  -40.435 1.00 16.60 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.709 -1.765  -40.001 1.00 17.71 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.831 -0.992  -38.681 1.00 19.51 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.952 0.057   -38.013 1.00 21.85 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.498 -1.844  -37.585 1.00 19.95 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -39.072 -1.905  -41.522 1.00 19.47 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.648 -3.060  -42.263 1.00 19.53 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.450 -4.357  -41.470 1.00 19.22 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.475 -4.488  -40.679 1.00 17.07 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -39.070 -3.178  -43.660 1.00 23.62 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.676 -3.360  -43.617 1.00 25.70 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.301 -5.349  -41.714 1.00 18.62 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -40.184 -6.685  -41.091 1.00 17.72 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -39.194 -7.477  -41.952 1.00 19.15 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.875 -7.064  -43.095 1.00 19.98 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.559 -7.340  -40.919 1.00 19.46 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.617 -8.389  -39.831 1.00 21.12 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.536 -8.655  -39.208 1.00 16.21 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.745 -8.893  -39.532 1.00 21.13 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.615 -8.521  -41.354 1.00 16.86 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.610 -9.388  -42.024 1.00 18.41 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.599 -10.717 -41.270 1.00 17.99 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -38.257 -10.837 -40.222 1.00 19.66 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -36.281 -8.657  -42.172 1.00 16.79 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.550 -8.455  -40.860 1.00 17.73 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -35.466 -9.386  -40.082 1.00 18.95 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -35.065 -7.284  -40.597 1.00 17.50 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.907 -11.720 -41.808 1.00 19.14 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.906 -13.064 -41.200 1.00 19.84 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.971 -13.108 -39.970 1.00 15.94 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -36.137 -14.059 -39.194 1.00 17.64 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.406 -14.075 -42.241 1.00 22.80 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.990 -13.790 -42.718 1.00 29.14 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.640 -14.238 -44.151 1.00 41.83 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -33.143 -14.296 -44.385 1.00 46.76 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.716 -15.663 -44.772 1.00 50.07 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -35.106 -12.108 -39.783 1.00 16.69 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -34.147 -12.101 -38.643 1.00 17.37 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.825 -11.583 -37.370 1.00 15.29 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.356 -11.925 -36.254 1.00 15.76 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.954 -11.217 -38.942 1.00 20.19 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -32.074 -11.695 -40.088 1.00 26.21 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.880 -10.765 -40.257 1.00 37.09 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.869 -10.011 -41.256 1.00 51.21 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -30.005 -10.720 -39.351 1.00 45.60 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.814 -10.693 -37.471 1.00 13.67 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.316 -10.020 -36.254 1.00 13.66 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -37.012 -10.965 -35.282 1.00 12.99 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.819 -11.829 -35.674 1.00 14.54 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.350 -8.943  -36.591 1.00 13.27 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.818 -7.786  -37.386 1.00 14.14 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.739 -6.559  -37.304 1.00 13.69 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.257 -5.560  -38.217 1.00 14.66 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -36.181 -4.815  -38.020 1.00 15.25 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.490 -4.847  -36.876 1.00 14.33 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.752 -4.028  -38.993 1.00 19.32 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.726 -10.865 -33.998 1.00 11.84 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.530 -11.575 -32.997 1.00 11.56 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.957 -11.002 -32.999 1.00 13.68 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -39.105 -9.797  -32.739 1.00 14.14 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.895 -11.456 -31.613 1.00 11.05 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.663 -12.314 -31.470 1.00 11.84 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.789 -13.683 -31.228 1.00 12.11 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.411 -11.752 -31.516 1.00 12.87 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.654 -14.476 -31.043 1.00 13.29 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.282 -12.556 -31.344 1.00 13.01 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.413 -13.909 -31.133 1.00 12.00 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.953 -11.833 -33.236 1.00 14.39 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.343 -11.337 -33.396 1.00 15.42 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.079 -11.227 -32.055 1.00 14.39 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.854 -10.269 -31.869 1.00 18.46 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -42.087 -12.257 -34.385 1.00 15.65 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.192 -13.565 -33.904 1.00 16.50 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.958 -12.174 -31.171 1.00 13.62 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.897 -12.329 -30.041 1.00 14.49 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.424 -11.548 -28.818 1.00 14.84 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.230 -11.332 -27.877 1.00 16.42 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.165 -13.767 -29.620 1.00 15.58 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.018 -14.559 -30.593 1.00 19.05 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.788 -14.507 -31.795 1.00 20.23 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.936 -15.364 -30.048 1.00 19.64 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.118 -11.276 -28.722 1.00 12.89 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.510 -10.797 -27.471 1.00 12.44 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.586 -9.629  -27.775 1.00 11.54 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -39.028 -9.553  -28.866 1.00 12.59 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.719 -11.937 -26.808 1.00 12.54 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.426 -13.267 -26.698 1.00 13.37 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.487 -13.448 -25.824 1.00 16.10 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -40.080 -14.339 -27.504 1.00 15.08 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -42.164 -14.671 -25.734 1.00 17.44 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.760 -15.543 -27.454 1.00 16.48 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.784 -15.723 -26.536 1.00 15.52 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.446 -16.938 -26.448 1.00 16.43 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.246 -8.792  -26.767 1.00 10.76 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.401 -7.615  -26.992 1.00 11.22 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.888 -7.927  -26.982 1.00 11.15 ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -36.131 -7.408  -26.182 1.00 11.55 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.773 -6.666  -25.819 1.00 13.55 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.983 -7.305  -25.148 1.00 14.25 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.874 -8.766  -25.450 1.00 12.78 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.507 -8.798  -27.913 1.00 11.01 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.144 -9.364  -28.025 1.00 10.11 ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.344 -8.773  -29.165 1.00 9.86  ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.882 -8.274  -30.195 1.00 11.08 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.247 -10.882 -28.187 1.00 10.46 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.816 -11.570 -26.998 1.00 10.46 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.295 -13.291 -27.420 1.00 12.35 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.904 -13.915 -25.867 1.00 13.18 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -33.021 -8.832  -29.011 1.00 9.97  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -32.056 -8.361  -30.034 1.00 10.15 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.746 -9.127  -29.802 1.00 11.17 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.454 -9.519  -28.660 1.00 10.47 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.878 -6.829  -29.983 1.00 10.39 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.306 -6.326  -28.670 1.00 11.26 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -31.005 -6.327  -31.119 1.00 10.56 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -30.002 -9.334  -30.881 1.00 10.26 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.655 -9.956  -30.832 1.00 10.71 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.540 -8.941  -30.959 1.00 10.94 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.679 -7.886  -31.666 1.00 13.01 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.498 -10.996 -31.927 1.00 11.07 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.543 -12.090 -31.951 1.00 12.10 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.233 -13.162 -32.980 1.00 13.11 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.724 -12.778 -30.607 1.00 12.63 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.384 -9.267  -30.371 1.00 11.54 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -25.137 -8.576  -30.716 1.00 11.76 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.739 -8.896  -32.167 1.00 12.68 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -25.091 -9.962  -32.679 1.00 12.79 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.995 -8.013  -32.803 1.00 13.10 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.474 -8.207  -34.175 1.00 15.45 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.345 -9.231  -34.188 1.00 15.32 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.194 -9.932  -35.209 1.00 19.42 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -23.017 -6.880  -34.690 1.00 17.14 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.610 -9.341  -33.100 1.00 14.46 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.403 -10.198 -33.094 1.00 15.14 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.830 -11.667 -33.101 1.00 16.15 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.826 -12.047 -32.470 1.00 16.09 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.528 -9.862  -31.875 1.00 16.92 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.860 -8.499  -31.926 1.00 19.17 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.839 -7.340  -31.833 1.00 19.32 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.797 -7.388  -31.062 1.00 17.30 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.609 -6.270  -32.562 1.00 21.65 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -20.094 -12.526 -33.835 1.00 16.49 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.239 -13.986 -33.795 1.00 17.02 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.959 -14.611 -33.231 1.00 15.70 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.856 -14.194 -33.640 1.00 18.61 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.427 -14.571 -35.202 1.00 21.70 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.795 -14.387 -35.851 1.00 30.03 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.275 -12.960 -35.960 1.00 32.96 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.277 -12.527 -36.961 1.00 40.20 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.918 -13.275 -37.855 1.00 36.92 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.806 -12.708 -38.650 1.00 42.52 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.712 -14.571 -37.971 1.00 46.62 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -19.067 -15.552 -32.319 1.00 15.37 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.887 -16.190 -31.681 1.00 15.92 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.945 -17.686 -31.945 1.00 14.61 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.970 -18.315 -31.715 1.00 13.35 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.911 -15.931 -30.166 1.00 18.46 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.936 -14.469 -29.824 1.00 19.87 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.954 -13.618 -30.320 1.00 21.45 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.917 -13.949 -29.014 1.00 24.51 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.941 -12.267 -30.013 1.00 24.49 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.895 -12.590 -28.708 1.00 19.96 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.925 -11.770 -29.204 1.00 20.93 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.840 -18.264 -32.432 0.25 14.57 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.847 -18.259 -32.454 0.25 15.12 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.734 -19.723 -32.695 0.25 14.76 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.714 -19.722 -32.695 0.25 15.77 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.502 -20.319 -31.986 0.25 14.58 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.415 -20.261 -32.091 0.25 15.85 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.321 -21.548 -32.049 0.25 13.99 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.995 -21.357 -32.493 0.25 15.16 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.746 -19.986 -34.180 0.25 15.12 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.756 -20.027 -34.151 0.25 16.27 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.072 -19.829 -34.718 0.25 15.02 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.777 -19.278 -34.841 0.25 16.42 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.717 -19.493 -31.288 0.25 14.20 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.796 -19.512 -31.182 0.25 16.00 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.524 -19.941 -30.528 0.25 15.15 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.525 -19.913 -30.543 0.25 17.18 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.219 -18.953 -29.402 0.25 15.87 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.129 -18.898 -29.473 0.25 17.03 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.831 -17.889 -29.383 0.25 16.40 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.562 -17.738 -29.586 0.25 16.95 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.342 -20.059 -31.465 0.25 15.58 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.463 -20.024 -31.608 0.25 18.51 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.943 -18.775 -31.904 0.25 15.65 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.229 -20.373 -31.019 0.25 21.19 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.284 -19.305 -28.521 1.00 17.02 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.683 -18.331 -27.604 1.00 18.22 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.524 -18.056 -26.371 1.00 15.92 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.504 -18.749 -26.067 1.00 16.87 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -12.036 -17.078 -25.654 1.00 15.35 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.626 -16.596 -24.406 1.00 15.63 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -13.059 -15.165 -24.659 1.00 14.95 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.270 -14.362 -25.159 1.00 17.02 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.615 -16.715 -23.268 1.00 17.12 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.171 -18.133 -22.920 1.00 18.75 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -10.055 -18.200 -21.831 1.00 22.03 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.675  -19.610 -21.431 1.00 26.60 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.585  -19.593 -20.425 1.00 31.04 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.283 -14.821 -24.231 1.00 14.35 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.912 -13.502 -24.435 1.00 14.75 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.585 -13.048 -23.143 1.00 13.32 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.163 -13.874 -22.434 1.00 14.41 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.997 -13.589 -25.486 1.00 14.53 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.498 -13.762 -26.892 1.00 16.37 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.794 -15.363 -27.424 1.00 18.72 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -16.014 -16.574 -26.932 1.00 17.87 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.538 -11.774 -22.847 1.00 13.52 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.150 -11.193 -21.632 1.00 13.58 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.757 -9.861  -22.026 1.00 14.36 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -16.099 -9.036  -22.729 1.00 14.85 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -15.102 -11.055 -20.528 1.00 15.08 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.620 -10.440 -19.260 1.00 14.47 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.351 -11.197 -18.361 1.00 14.67 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.448 -9.091  -19.006 1.00 15.37 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.868 -10.649 -17.198 1.00 16.07 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.964 -8.528  -17.854 1.00 14.64 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.653 -9.303  -16.951 1.00 14.92 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.152 -8.686  -15.850 1.00 17.10 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.955 -9.595  -21.522 1.00 12.35 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.572 -8.252  -21.636 1.00 12.70 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.476 -7.983  -20.428 1.00 12.06 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.798 -8.914  -19.655 1.00 13.46 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.315 -8.056  -22.975 1.00 11.94 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.483 -8.964  -23.214 1.00 12.15 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.819 -8.674  -22.994 1.00 11.85 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.469 -10.282 -23.786 1.00 13.10 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.606 -9.725  -23.394 1.00 12.48 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.803 -10.734 -23.876 1.00 13.08 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.443 -11.117 -24.261 1.00 15.18 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.132 -11.974 -24.412 1.00 13.63 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.762 -12.361 -24.736 1.00 16.23 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -21.083 -12.783 -24.785 1.00 15.13 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.873 -6.718  -20.232 1.00 12.45 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.708 -6.302  -19.075 1.00 11.89 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.931 -5.552  -19.565 1.00 11.69 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.832 -4.809  -20.550 1.00 12.38 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.895 -5.443  -18.115 1.00 13.05 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.821 -6.282  -17.428 1.00 15.27 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.946 -5.531  -16.436 1.00 19.48 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.160 -4.276  -16.294 1.00 22.27 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -17.101 -6.219  -15.710 1.00 17.97 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -23.039 -5.765  -18.868 1.00 11.74 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.309 -5.115  -19.218 1.00 11.29 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.892 -4.424  -18.002 1.00 11.43 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.992 -5.053  -16.946 1.00 11.95 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.319 -6.126  -19.779 1.00 11.90 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.531 -5.366  -20.300 1.00 12.96 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.702 -6.987  -20.867 1.00 12.86 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.360 -3.192  -18.179 1.00 11.32 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -26.035 -2.409  -17.119 1.00 12.63 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.524 -2.730  -17.178 1.00 11.35 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -28.135 -2.641  -18.306 1.00 11.81 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.756 -0.916  -17.313 1.00 14.84 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -26.095 -0.090  -16.088 1.00 18.35 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.230 -0.116  -15.676 1.00 16.68 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.140 0.406   -15.428 1.00 24.35 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -28.099 -3.095  -16.026 1.00 11.27 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.528 -3.438  -15.847 1.00 11.86 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.221 -2.527  -14.823 1.00 11.32 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.296 -2.882  -14.311 1.00 11.87 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.688 -4.942  -15.493 1.00 11.43 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -29.102 -5.848  -16.601 1.00 11.15 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -29.100 -5.311  -14.159 1.00 12.10 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.605 -1.401  -14.491 1.00 11.97 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -30.110 -0.476  -13.463 1.00 12.95 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.605 -0.193  -13.660 1.00 13.32 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -32.036 0.218   -14.758 1.00 13.54 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.308 0.825   -13.468 1.00 13.80 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.941 0.543   -13.169 1.00 15.85 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.891 1.750   -12.423 1.00 15.21 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.382 -0.373  -12.585 0.78 14.61 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.826 -0.035  -12.450 0.78 15.22 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.733 -0.801  -13.413 0.78 15.53 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.880 -0.374  -13.643 0.78 15.82 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.997 1.467   -12.593 0.78 17.96 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.650 2.142   -11.275 0.78 19.40 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.570 1.718   -10.150 0.78 19.71 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.183 1.014   -9.213  0.78 23.40 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.820 2.099   -10.264 0.78 20.61 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.271 -1.921  -13.949 1.00 12.96 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -35.173 -2.791  -14.708 1.00 12.18 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.852 -3.814  -13.793 1.00 11.44 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.189 -4.326  -12.833 1.00 13.75 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.406 -3.481  -15.824 1.00 12.74 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.907 -2.494  -16.875 1.00 12.53 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.431 -3.136  -18.158 1.00 12.82 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.512 -3.861  -18.930 1.00 12.27 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.701 -2.999  -19.243 1.00 11.97 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -37.103 -4.106  -14.063 1.00 10.72 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.892 -5.106  -13.320 1.00 11.99 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.828 -6.462  -14.022 1.00 12.22 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.185 -7.483  -13.429 1.00 12.51 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.383 -4.677  -13.288 1.00 13.84 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.628 -3.419  -12.507 1.00 14.67 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -41.105 -2.989  -12.615 1.00 15.44 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.512 -2.163  -11.761 1.00 20.18 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.841 -3.530  -13.495 1.00 18.05 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.448 -6.505  -15.290 1.00 11.36 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.482 -7.760  -16.065 1.00 11.12 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.458 -7.632  -17.179 1.00 11.60 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.388 -6.564  -17.830 1.00 11.69 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.847 -8.084  -16.639 1.00 11.54 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.747 -8.714  -17.475 1.00 10.62 ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.749 -8.779  -18.585 1.00 10.68 ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.229 -10.189 -18.676 1.00 10.95 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.344 -10.950 -17.694 1.00 10.85 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.593 -7.810  -18.342 1.00 11.27 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.904 -7.847  -17.003 1.00 10.87 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -33.110 -6.993  -15.958 1.00 12.96 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.940 -8.803  -16.491 1.00 11.36 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.331 -7.289  -14.888 1.00 12.55 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.630 -8.441  -15.180 1.00 12.37 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.312 -9.938  -17.045 1.00 11.79 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.714 -9.108  -14.389 1.00 12.14 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.424 -10.646 -16.250 1.00 11.68 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -30.114 -10.213 -14.944 1.00 12.89 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.697 -10.557 -19.845 1.00 10.54 ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.932 -11.828 -20.045 1.00 10.54 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.571 -11.430 -20.641 1.00 9.79  ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.533 -10.526 -21.501 1.00 10.80 ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.623 -12.827 -20.960 1.00 12.43 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -35.118 -13.029 -20.852 1.00 15.20 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.608 -12.996 -19.757 1.00 19.29 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.764 -13.208 -21.919 1.00 17.25 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.489 -12.086 -20.236 1.00 8.86  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.152 -11.839 -20.808 1.00 9.54  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.424 -13.169 -20.985 1.00 9.80  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.533 -14.076 -20.132 1.00 9.42  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.316 -10.962 -19.877 1.00 10.15 ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.715 -9.509  -19.721 1.00 11.58 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.876 -8.897  -18.616 1.00 11.90 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.514 -8.768  -21.022 1.00 12.37 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.580 -13.205 -21.984 1.00 9.50  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.612 -14.307 -22.110 1.00 10.41 ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -26.071 -14.395 -23.526 1.00 9.54  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.720 -13.375 -24.116 1.00 9.61  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.982 -15.624 -24.045 0.25 9.45  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -26.062 -15.598 -24.086 0.25 9.80  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.573 -15.935 -25.445 0.25 9.78  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.521 -15.869 -25.443 0.25 10.40 ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.576 -16.898 -26.065 0.25 10.10 ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.399 -16.961 -26.061 0.25 10.41 ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.323 -17.613 -25.343 0.25 10.40 ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.958 -17.774 -25.308 0.25 10.61 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.167 -16.554 -25.554 0.25 9.92  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -24.032 -16.255 -25.338 0.25 11.20 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.096 -15.514 -25.323 0.25 9.94  ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.861 -17.653 -24.776 0.25 11.37 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.990 -17.720 -24.599 0.25 10.07 ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.285 -16.113 -26.646 0.25 11.78 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.551 -16.963 -27.386 1.00 10.28 ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.356 -17.966 -28.086 1.00 10.62 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.691 -18.369 -29.385 1.00 10.61 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.796 -17.658 -29.911 1.00 11.41 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.766 -17.439 -28.339 1.00 11.17 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.881 -16.038 -29.491 1.00 12.62 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.140 -19.487 -29.933 0.25 11.23 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.140 -19.485 -29.933 0.25 10.45 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.694 -19.905 -31.282 0.25 12.16 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.657 -19.957 -31.253 0.25 10.81 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.115 -18.847 -32.301 0.25 11.78 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.163 -18.989 -32.342 0.25 11.14 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.167 -18.214 -32.145 0.25 11.87 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.344 -18.550 -32.263 0.25 11.34 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.320 -21.239 -31.680 0.25 13.51 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.137 -21.398 -31.449 0.25 10.96 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.912 -22.371 -30.763 0.25 14.64 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.452 -22.120 -32.595 0.25 10.85 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.480 -23.695 -31.227 0.25 16.08 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -27.027 -23.497 -32.829 0.25 10.83 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.098 -24.747 -30.299 0.25 15.78 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.886 -24.322 -31.656 0.25 10.86 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.906 -25.720 -29.937 0.25 15.72 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.884 -24.935 -31.012 0.25 10.65 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.138 -25.758 -30.405 0.25 15.43 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.112 -24.891 -31.468 0.25 11.66 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.482 -26.644 -29.101 0.25 16.98 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.628 -25.623 -29.918 0.25 10.62 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.339 -18.697 -33.359 1.00 12.40 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.740 -17.783 -34.444 1.00 13.73 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -28.039 -18.292 -35.063 1.00 14.70 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.780 -17.456 -35.613 1.00 18.13 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.603 -17.712 -35.459 1.00 15.29 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.215 -18.975 -36.177 1.00 18.44 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.662 -20.098 -35.803 1.00 20.82 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.407 -18.805 -37.158 1.00 21.83 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.334 -19.587 -35.039 1.00 12.95 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.479 -20.216 -35.748 1.00 14.44 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.735 -20.351 -34.862 1.00 13.87 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.650 -21.085 -35.248 1.00 14.87 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -29.052 -21.546 -36.314 1.00 15.18 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.550 -22.376 -35.345 1.00 17.05 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.809 -19.703 -33.696 1.00 13.09 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -32.040 -19.801 -32.870 1.00 12.96 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.262 -19.340 -33.674 1.00 12.04 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.172 -18.408 -34.483 1.00 13.33 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.939 -19.057 -31.528 1.00 12.70 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.914 -19.711 -30.638 1.00 12.59 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.694 -17.575 -31.643 1.00 12.76 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.373 -19.953 -33.320 1.00 14.29 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.722 -19.539 -33.798 1.00 16.56 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.966 -18.055 -33.503 1.00 14.90 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.659 -17.601 -32.413 1.00 15.70 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.739 -20.460 -33.114 1.00 18.33 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.210 -20.126 -33.320 1.00 21.04 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.116 -21.000 -32.477 1.00 24.17 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.690 -21.973 -31.810 1.00 26.37 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.403 -20.649 -32.460 1.00 25.22 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.538 -17.333 -34.468 1.00 13.48 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.816 -15.869 -34.334 1.00 13.42 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.326 -15.640 -34.196 1.00 13.96 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.687 -14.646 -33.557 1.00 14.33 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.272 -15.016 -35.468 1.00 14.07 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.811 -15.290 -35.827 1.00 13.41 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.895 -15.051 -34.612 1.00 14.27 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.517 -15.454 -34.938 1.00 15.42 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.635 -14.726 -35.608 1.00 14.45 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.908 -13.506 -36.026 1.00 15.46 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.453 -15.234 -35.891 1.00 16.20 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.156 -16.520 -34.778 1.00 14.09 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.604 -16.248 -34.909 1.00 14.07 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.391 -17.158 -33.986 1.00 15.71 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -41.010 -18.322 -33.815 1.00 17.67 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -41.010 -16.435 -36.373 1.00 15.54 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.212 -15.639 -37.379 1.00 15.55 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.160 -14.147 -37.104 1.00 16.37 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.539 -13.441 -38.271 1.00 16.16 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.311 -11.998 -38.031 1.00 18.94 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.483 -16.657 -33.463 1.00 14.78 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.368 -17.479 -32.645 1.00 15.81 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.895 -17.674 -31.225 1.00 16.22 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.942 -16.942 -30.784 1.00 17.86 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.577 -18.532 -30.489 1.00 17.78 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.299 -18.769 -29.068 1.00 19.98 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.193 -19.806 -28.899 1.00 17.95 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.090 -20.773 -29.685 1.00 18.55 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.561 -19.228 -28.319 1.00 22.09 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.698 -18.227 -28.348 1.00 26.99 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -47.019 -18.944 -28.214 1.00 36.51 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.254 -19.672 -27.239 1.00 36.90 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.880 -18.772 -29.212 1.00 35.77 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.360 -19.608 -27.878 1.00 15.31 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.308 -20.582 -27.509 1.00 15.81 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.821 -20.288 -26.101 1.00 16.14 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -40.002 -19.184 -25.579 1.00 16.83 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.154 -20.518 -28.522 1.00 16.09 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.515 -19.160 -28.652 1.00 15.12 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.518 -18.751 -27.770 1.00 16.26 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.899 -18.295 -29.654 1.00 15.76 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.927 -17.497 -27.900 1.00 14.59 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.267 -17.071 -29.817 1.00 15.40 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.299 -16.681 -28.945 1.00 15.16 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.240 -21.295 -25.449 0.25 16.55 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.209 -21.305 -25.490 0.25 16.06 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.606 -21.143 -24.118 0.25 16.87 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.576 -21.242 -24.152 0.25 16.10 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.106 -20.924 -24.295 0.25 15.54 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.083 -20.944 -24.302 0.25 15.08 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.519 -21.427 -25.288 0.25 15.64 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.469 -21.419 -25.293 0.25 15.12 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.861 -22.332 -23.242 0.25 19.01 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.787 -22.527 -23.395 0.25 17.41 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.845 -23.509 -24.025 0.25 21.42 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.157 -22.671 -23.041 0.25 18.68 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.521 -20.195 -23.351 1.00 14.83 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -35.063 -20.012 -23.281 1.00 15.24 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.461 -21.217 -22.575 1.00 15.08 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.567 -21.368 -21.364 1.00 17.22 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.721 -18.718 -22.568 1.00 15.52 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.212 -17.433 -23.212 1.00 17.71 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.837 -16.255 -22.330 1.00 17.91 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.654 -17.228 -24.607 1.00 17.91 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.790 -22.097 -23.318 1.00 14.09 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.146 -23.292 -22.752 1.00 14.41 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.986 -23.689 -23.652 1.00 12.59 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.970 -23.353 -24.839 1.00 12.99 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.111 -24.464 -22.681 1.00 16.60 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.469 -24.853 -24.007 1.00 19.19 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -31.007 -24.408 -23.110 1.00 12.88 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.923 -24.924 -23.937 1.00 13.52 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.416 -25.804 -25.083 1.00 13.32 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.833 -25.730 -26.169 1.00 13.84 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -29.028 -25.689 -22.945 1.00 15.09 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.280 -24.952 -21.637 1.00 14.80 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.768 -24.660 -21.682 1.00 14.50 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.480 -26.562 -24.863 1.00 14.70 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.077 -27.410 -25.948 1.00 17.61 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.472 -26.548 -27.149 1.00 18.27 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.355 -27.001 -28.299 1.00 19.56 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.226 -28.237 -25.374 1.00 21.47 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.807 -29.001 -24.141 1.00 30.28 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.187 -28.408 -22.779 1.00 37.88 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.346 -27.671 -22.160 1.00 24.88 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.316 -28.758 -22.285 1.00 47.19 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.936 -25.324 -26.917 1.00 15.33 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.334 -24.379 -27.976 1.00 13.75 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.177 -23.453 -28.369 1.00 13.29 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.392 -22.610 -29.244 1.00 14.55 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.544 -23.536 -27.538 1.00 15.47 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.828 -24.329 -27.506 1.00 18.56 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.926 -25.387 -28.157 1.00 21.03 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.821 -23.851 -26.759 1.00 20.08 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.965 -23.643 -27.852 1.00 12.03 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.816 -22.836 -28.293 1.00 11.69 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.570 -21.565 -27.482 1.00 10.98 ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.933 -20.654 -28.006 1.00 11.35 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -30.054 -21.494 -26.233 1.00 11.96 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.851 -20.291 -25.379 1.00 10.83 ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.154 -20.627 -24.071 1.00 10.72 ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.597 -21.616 -23.426 1.00 11.69 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.196 -19.634 -25.022 1.00 11.14 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -32.007 -19.147 -26.200 1.00 11.01 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.892 -20.004 -26.856 1.00 11.12 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.866 -17.857 -26.672 1.00 11.37 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.624 -19.568 -27.949 1.00 12.23 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.647 -17.405 -27.716 1.00 11.83 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.510 -18.260 -28.355 1.00 11.63 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.220 -19.797 -23.628 1.00 10.44 ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.527 -19.908 -22.323 1.00 9.96  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.674 -18.565 -21.608 1.00 9.00  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.941 -17.607 -21.962 1.00 9.59  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -26.066 -20.354 -22.500 1.00 10.13 ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.988 -21.733 -23.107 1.00 10.12 ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.861 -22.926 -22.435 1.00 11.20 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.999 -22.067 -24.517 1.00 10.85 ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.884 -23.978 -23.357 1.00 11.86 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.933 -23.461 -24.621 1.00 11.79 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -26.053 -21.288 -25.663 1.00 11.00 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.981 -24.102 -25.866 1.00 12.29 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.081 -21.924 -26.886 1.00 12.22 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.070 -23.298 -26.968 1.00 12.26 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.720 -18.454 -20.771 1.00 9.99  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.208 -17.155 -20.272 1.00 10.17 ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.547 -17.219 -18.777 1.00 10.39 ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.811 -18.298 -18.229 1.00 9.92  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.451 -16.720 -21.055 1.00 10.70 ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.525 -17.636 -20.829 1.00 11.68 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.137 -16.562 -22.529 1.00 11.04 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.600 -16.029 -18.193 1.00 9.39  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.246 -15.815 -16.871 1.00 9.93  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.262 -14.703 -17.062 1.00 9.49  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.165 -13.937 -18.038 1.00 9.79  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.239 -15.502 -15.766 1.00 10.39 ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.545 -14.156 -15.940 1.00 10.76 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.215 -16.619 -15.634 1.00 11.33 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.704 -13.720 -14.749 1.00 11.94 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.124 -14.551 -16.071 1.00 9.96  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.154 -13.500 -16.136 1.00 10.39 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.595 -13.044 -14.767 1.00 11.00 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.411 -13.732 -13.747 1.00 11.05 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.324 -13.933 -16.959 1.00 12.66 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -35.098 -15.090 -16.445 1.00 14.60 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -36.004 -15.079 -15.420 1.00 15.03 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.232 -16.343 -17.106 1.00 16.47 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.647 -16.271 -15.362 1.00 18.89 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.221 -17.059 -16.387 1.00 17.16 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.619 -16.914 -18.221 1.00 18.51 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.566 -18.362 -16.722 1.00 22.34 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.997 -18.187 -18.570 1.00 20.22 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.942 -18.892 -17.829 1.00 19.67 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.226 -11.867 -14.781 1.00 10.76 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.993 -11.329 -13.648 1.00 10.49 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.453 -11.303 -14.090 1.00 10.88 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.757 -10.799 -15.169 1.00 11.45 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.509 -9.913  -13.322 1.00 10.63 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.332 -9.109  -12.300 1.00 11.91 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.352 -9.808  -10.961 1.00 12.56 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.835 -7.672  -12.183 1.00 13.63 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.344 -11.724 -13.190 1.00 12.30 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.800 -11.719 -13.410 1.00 13.96 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.494 -11.755 -12.061 1.00 14.15 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.194 -12.676 -11.274 1.00 13.73 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -39.124 -12.974 -14.208 1.00 17.52 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.570 -13.242 -14.348 1.00 21.71 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.334 -14.201 -13.737 1.00 21.91 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.435 -12.455 -15.147 1.00 21.11 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.619 -14.074 -14.153 1.00 22.08 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.706 -13.024 -15.022 1.00 19.27 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.241 -11.344 -15.956 1.00 21.75 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.806 -12.523 -15.695 1.00 24.17 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.324 -10.831 -16.622 1.00 27.81 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.590 -11.400 -16.471 1.00 26.88 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.341 -10.748 -11.787 1.00 13.57 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.181 -10.766 -10.554 1.00 13.98 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.313 -10.980 -9.325  1.00 13.63 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.673 -11.835 -8.443  1.00 15.88 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.302 -11.788 -10.723 1.00 15.78 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.254 -11.398 -11.842 1.00 17.75 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.538 -12.189 -11.911 1.00 19.00 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.466 -11.851 -12.677 1.00 20.80 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.625 -13.245 -11.135 1.00 17.22 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.286 -10.174 -9.183  1.00 15.12 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.422 -10.094 -7.995  1.00 19.72 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.635 -11.390 -7.753  1.00 19.71 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -37.035 -11.481 -6.676  1.00 25.99 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.305 -9.835  -6.762  1.00 23.81 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.657 -9.096  -5.621  1.00 34.33 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.635 -8.403  -5.855  1.00 40.19 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.239 -9.169  -4.499  1.00 47.33 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.561 -12.306 -8.721  1.00 16.54 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.685 -13.508 -8.608  1.00 17.52 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.714 -13.593 -9.804  1.00 14.64 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -36.072 -13.259 -10.962 1.00 14.06 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.483 -14.746 -8.348  1.00 23.79 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -38.180 -15.167 -9.483  1.00 32.27 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.511 -14.043 -9.528  1.00 12.60 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.473 -14.294 -10.566 1.00 12.23 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.421 -15.785 -10.821 1.00 11.33 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.459 -16.598 -9.872  1.00 11.43 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -32.129 -13.769 -10.125 1.00 12.08 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -32.073 -12.274 -9.887  1.00 12.66 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.330 -11.719 -8.641  1.00 14.28 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.742 -11.412 -10.911 1.00 12.58 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.240 -10.351 -8.409  1.00 14.66 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.680 -10.035 -10.708 1.00 13.32 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.925 -9.511  -9.454  1.00 14.16 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.896 -8.155  -9.204  1.00 14.36 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.365 -16.181 -12.092 0.25 12.43 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.410 -16.169 -12.099 0.25 11.80 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.374 -17.611 -12.489 0.25 12.87 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.412 -17.582 -12.551 0.25 11.80 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.456 -17.841 -13.689 0.25 11.62 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.323 -17.784 -13.614 0.25 10.92 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.396 -16.988 -14.585 0.25 10.94 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.953 -16.828 -14.317 0.25 10.11 ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.788 -18.092 -12.795 0.25 15.16 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.767 -18.001 -13.122 0.25 13.10 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.710 -17.988 -11.586 0.25 17.21 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.933 -17.849 -12.151 0.25 14.67 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.154 -18.338 -11.868 0.25 20.51 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -36.073 -18.982 -11.142 0.25 15.62 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.639 -17.992 -12.965 0.25 22.75 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.690 -20.125 -11.458 0.25 20.15 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.788 -18.965 -10.991 0.25 22.39 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.588 -18.723 -10.062 0.25 20.68 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.825 -19.012 -13.725 1.00 11.31 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -31.054 -19.469 -14.888 1.00 10.96 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.983 -20.219 -15.850 1.00 11.59 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.848 -21.030 -15.427 1.00 12.56 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.879 -20.354 -14.493 1.00 12.16 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.796 -19.971 -17.146 1.00 11.92 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.612 -20.538 -18.231 1.00 12.85 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.259 -21.979 -18.523 1.00 13.49 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.949 -22.315 -19.643 1.00 15.22 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.284 -22.831 -17.523 1.00 15.38 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.248 -24.295 -17.702 1.00 16.90 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.678 -24.779 -17.969 1.00 17.46 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.616 -24.001 -17.768 1.00 18.61 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.589 -24.925 -16.488 1.00 14.63 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.308 -24.466 -15.337 1.00 14.12 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.141 -24.586 -16.310 1.00 16.14 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.849 -26.055 -18.312 1.00 20.56 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.187 -26.666 -18.484 1.00 23.99 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.361 -27.827 -17.495 1.00 23.88 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.743 -28.875 -17.657 1.00 25.91 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.420 -27.122 -19.911 1.00 29.47 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.795 -27.484 -20.060 1.00 32.36 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.132 -27.681 -16.405 1.00 22.32 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.812 -26.451 -16.048 1.00 22.27 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.837 -25.443 -15.417 1.00 17.71 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.688 -25.740 -15.143 1.00 16.94 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.838 -26.905 -15.010 1.00 24.95 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.144 -28.046 -14.297 1.00 24.59 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.297 -28.728 -15.364 1.00 24.17 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.307 -24.227 -15.233 1.00 17.21 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.464 -23.102 -14.768 1.00 17.12 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.905 -23.369 -13.353 1.00 15.11 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.553 -24.075 -12.539 1.00 16.08 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.219 -21.771 -14.877 1.00 21.18 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.166 -21.468 -13.729 1.00 26.16 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.608 -21.590 -14.140 1.00 38.61 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.968 -22.445 -14.955 1.00 49.07 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.446 -20.758 -13.541 1.00 44.02 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.772 -22.765 -13.049 1.00 13.44 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -33.041 -22.935 -11.778 1.00 12.49 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -33.061 -21.629 -10.982 1.00 13.29 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.592 -20.581 -11.476 1.00 13.30 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.597 -23.383 -12.053 1.00 12.47 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.663 -24.614 -12.761 1.00 13.59 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.810 -23.558 -10.778 1.00 13.84 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.499 -21.679 -9.734  1.00 13.72 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.439 -20.542 -8.792  1.00 14.52 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -32.015 -20.071 -8.533  1.00 14.35 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -31.128 -20.925 -8.209  1.00 16.62 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -34.045 -20.992 -7.447  1.00 18.77 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.406 -21.350 -7.715  1.00 22.43 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.906 -19.918 -6.402  1.00 21.98 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.731 -18.769 -8.651  1.00 12.42 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.430 -18.155 -8.342  1.00 12.33 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.510 -17.553 -6.940  1.00 14.34 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.632 -17.279 -6.433  1.00 18.96 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -30.052 -17.085 -9.377  1.00 12.28 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.945 -17.623 -10.810 1.00 11.80 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.714 -16.526 -11.836 1.00 12.25 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.848 -18.684 -10.928 1.00 13.24 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.388 -17.486 -6.272  1.00 15.15 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.292 -16.986 -4.888  1.00 15.46 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.457 -15.724 -4.975  1.00 16.39 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.222 -15.809 -4.973  1.00 21.55 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.658 -18.069 -3.987  1.00 17.70 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.409 -19.371 -3.959  1.00 19.24 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -29.080 -20.450 -4.809  1.00 24.46 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.462 -19.781 -3.215  1.00 23.22 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -29.948 -21.434 -4.604  1.00 26.16 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.766 -21.080 -3.597  1.00 21.17 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -29.079 -14.578 -5.109  1.00 18.06 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.321 -13.309 -5.220  1.00 18.95 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.661 -12.443 -3.979  1.00 20.81 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.821 -12.134 -3.755  1.00 27.49 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.590 -12.621 -6.573  1.00 20.08 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.331 -13.539 -7.776  1.00 18.45 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -27.700 -11.387 -6.638  1.00 23.93 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.528 -12.857 -9.112  1.00 20.94 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.664 -12.113 -3.178  1.00 23.66 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.909 -11.318 -1.933  1.00 26.56 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.945 -9.823  -2.291  1.00 23.28 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.750 -9.076  -1.664  1.00 22.71 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.830 -11.651 -0.896  1.00 30.49 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.976 -10.895 0.429   1.00 41.79 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.246 -11.207 1.199   1.00 48.06 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.952 -12.184 0.941   1.00 56.51 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.561 -10.360 2.168   1.00 56.84 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.141 -9.403  -3.261  1.00 20.53 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -27.011 -7.968  -3.663  1.00 19.01 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.605 -7.796  -5.054  1.00 19.43 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.997 -8.277  -6.001  1.00 17.00 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.551 -7.510  -3.643  1.00 20.76 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.378 -6.068  -4.108  1.00 20.43 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.951 -7.684  -2.241  1.00 22.74 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.831 -7.254  -5.233  1.00 18.09 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.435 -7.158  -6.568  1.00 17.76 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.461 -6.469  -7.506  1.00 17.04 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.959 -5.400  -7.233  1.00 16.07 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.700 -6.310  -6.306  1.00 20.79 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -31.082 -6.757  -4.875  1.00 20.71 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.755 -6.779  -4.176  1.00 19.37 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -28.056 -7.077  -8.635  1.00 14.21 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -27.055 -6.455  -9.485  1.00 14.66 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.563 -5.256  -10.293 1.00 13.76 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.689 -5.333  -10.824 1.00 14.55 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.629 -7.588  -10.413 1.00 15.64 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.720 -8.592  -10.380 1.00 16.71 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.422 -8.437  -9.064  1.00 15.02 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.702 -4.262  -10.436 1.00 13.81 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.936 -3.159  -11.400 1.00 14.68 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -26.114 -3.401  -12.676 1.00 14.19 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.417 -2.819  -13.714 1.00 13.13 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.565 -1.799  -10.856 1.00 17.03 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.587 -1.352  -9.431  1.00 23.41 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -25.043 -4.205  -12.615 0.25 14.20 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -25.117 -4.283  -12.585 0.25 14.36 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.282 -4.604  -13.833 0.25 14.81 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.255 -4.647  -13.733 0.25 15.21 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.874 -6.080  -13.717 0.25 14.08 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.987 -6.155  -13.674 0.25 14.34 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.438 -6.504  -12.616 0.25 12.52 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.826 -6.714  -12.560 0.25 12.48 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -23.029 -3.760  -14.094 0.25 17.06 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.969 -3.821  -13.728 0.25 17.97 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.287 -2.275  -14.287 0.25 19.28 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.159 -2.408  -14.245 0.25 20.25 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -23.129 -1.526  -12.990 0.25 20.32 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.866 -1.647  -14.392 0.25 20.67 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.373 -1.936  -12.109 0.25 20.37 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.798 -2.209  -14.663 0.25 24.59 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.847 -0.418  -12.864 0.25 20.64 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.969 -0.345  -14.230 0.25 22.83 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -24.002 -6.798  -14.841 1.00 13.53 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.803 -8.272  -14.971 1.00 12.97 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.618 -8.461  -15.907 1.00 13.06 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.578 -7.843  -16.987 1.00 12.20 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -25.061 -8.917  -15.581 1.00 14.18 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.331 -8.690  -14.749 1.00 16.98 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.786 -10.396 -15.838 1.00 14.44 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.345 -9.463  -13.523 1.00 16.98 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.648 -9.297  -15.530 1.00 11.89 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.596 -9.726  -16.450 1.00 12.35 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.886 -11.091 -17.007 1.00 12.06 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.393 -11.967 -16.303 1.00 11.84 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.632 -11.250 -18.304 1.00 11.99 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.879 -12.517 -19.028 1.00 11.47 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.565 -12.993 -19.633 1.00 12.48 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.893 -12.226 -20.333 1.00 13.05 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.931 -12.321 -20.121 1.00 13.38 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.231 -11.823 -19.487 1.00 14.03 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.149 -13.601 -20.942 1.00 13.31 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.255 -11.443 -20.474 1.00 18.13 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.183 -14.193 -19.243 1.00 12.15 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.946 -14.861 -19.725 1.00 11.50 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.320 -16.098 -20.522 1.00 11.61 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -19.044 -16.944 -20.027 1.00 12.23 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -17.082 -15.266 -18.532 1.00 12.64 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.817 -16.013 -18.879 1.00 13.74 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.790 -15.363 -19.533 1.00 16.09 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.643 -17.346 -18.524 1.00 15.85 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.608 -16.035 -19.835 1.00 18.57 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.474 -18.023 -18.870 1.00 17.39 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.464 -17.364 -19.517 1.00 15.87 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.713 -16.233 -21.692 1.00 12.20 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.863 -17.417 -22.561 1.00 12.18 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.478 -18.010 -22.845 1.00 11.99 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.598 -17.288 -23.330 1.00 13.72 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.610 -17.096 -23.870 1.00 11.98 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.744 -18.342 -24.754 1.00 13.96 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.975 -16.499 -23.553 1.00 13.46 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.304 -19.272 -22.511 1.00 12.49 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.122 -20.051 -22.989 1.00 13.71 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.616 -21.081 -24.015 1.00 12.02 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.246 -22.072 -23.650 1.00 12.60 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.356 -20.629 -21.819 1.00 13.55 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.079 -21.343 -22.233 1.00 17.04 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.982 -21.815 -23.411 1.00 18.02 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.251 -21.516 -21.299 1.00 19.77 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.419 -20.796 -25.290 1.00 13.47 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -16.000 -21.624 -26.382 1.00 12.34 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.462 -23.073 -26.325 1.00 14.62 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.205 -24.018 -26.237 1.00 16.13 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.731 -21.013 -27.763 1.00 13.79 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.672 -21.611 -28.772 1.00 13.97 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.457 -22.886 -29.278 1.00 14.17 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.826 -20.941 -29.198 1.00 13.70 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.356 -23.494 -30.126 1.00 14.19 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.728 -21.552 -30.054 1.00 12.75 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.476 -22.812 -30.566 1.00 13.50 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.366 -23.433 -31.416 1.00 13.90 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.156 -23.207 -26.192 1.00 16.13 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.520 -24.544 -26.190 1.00 16.81 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.913 -25.341 -24.951 1.00 16.58 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.181 -26.548 -25.091 1.00 19.67 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -12.013 -24.444 -26.381 1.00 18.39 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.642 -24.332 -27.865 1.00 22.54 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.905 -22.957 -28.381 1.00 24.08 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.086 -22.825 -29.559 1.00 24.82 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.953 -21.997 -27.548 1.00 28.05 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.973 -24.721 -23.777 1.00 15.87 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.312 -25.405 -22.519 1.00 17.59 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.812 -25.695 -22.450 1.00 16.12 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.222 -26.564 -21.655 1.00 18.09 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.855 -24.589 -21.347 1.00 17.76 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.657 -25.060 -23.271 1.00 13.81 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.102 -25.256 -23.166 1.00 12.59 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.679 -24.600 -21.899 1.00 11.70 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.480 -25.266 -21.219 1.00 11.92 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.272 -23.371 -21.577 1.00 12.23 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.682 -22.669 -20.329 1.00 11.71 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.308 -21.318 -20.679 1.00 11.36 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.725 -20.520 -21.467 1.00 12.12 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.461 -22.500 -19.416 1.00 13.18 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.718 -21.517 -18.278 1.00 13.55 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.985 -23.845 -18.911 1.00 14.35 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.401 -21.006 -19.989 1.00 11.78 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.959 -19.626 -19.938 1.00 11.07 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.183 -19.254 -18.475 1.00 9.86  ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.944 -20.004 -17.784 1.00 11.66 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.283 -19.511 -20.704 1.00 11.36 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.766 -18.064 -20.688 1.00 11.02 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.147 -20.078 -22.103 1.00 11.26 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.513 -18.218 -17.993 1.00 10.70 ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.631 -17.803 -16.586 1.00 11.67 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.113 -16.369 -16.481 1.00 11.18 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.797 -15.535 -17.327 1.00 12.01 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.317 -17.968 -15.861 1.00 11.90 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.933 -19.345 -15.775 1.00 12.82 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.816 -16.111 -15.395 1.00 10.03 ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.422 -14.802 -15.072 1.00 10.93 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.905 -14.314 -13.728 1.00 10.79 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.921 -15.122 -12.742 1.00 11.12 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.960 -14.888 -15.054 1.00 10.32 ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.554 -15.328 -16.361 1.00 10.24 ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.595 -16.666 -16.738 1.00 10.53 ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -25.046 -14.376 -17.234 1.00 10.75 ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -25.098 -17.023 -17.989 1.00 10.65 ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.544 -14.740 -18.470 1.00 10.15 ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.572 -16.059 -18.849 1.00 10.01 ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.548 -13.041 -13.667 1.00 11.24 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.921 -12.403 -12.489 1.00 12.39 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.703 -11.164 -12.070 1.00 13.96 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.171 -10.400 -12.893 1.00 12.77 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.452 -12.126 -12.749 1.00 13.29 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.641 -13.372 -13.032 1.00 14.14 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.144 -14.121 -11.996 1.00 14.57 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.457 -13.835 -14.321 1.00 14.36 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.460 -15.300 -12.232 1.00 15.21 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.765 -15.013 -14.585 1.00 14.63 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.232 -15.733 -13.527 1.00 15.69 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.572 -16.925 -13.769 1.00 18.46 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.727 -10.905 -10.769 1.00 14.26 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.452 -9.759  -10.132 1.00 12.95 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.445 -8.628  -9.953  1.00 13.09 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.631 -8.667  -8.995  1.00 14.70 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -23.123 -10.214 -8.846  1.00 13.96 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.936 -9.112  -8.175  1.00 13.79 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.760 -7.947  -8.537  1.00 16.10 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.796 -9.474  -7.276  1.00 14.66 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.371 -7.667  -10.868 1.00 14.90 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.308 -6.635  -10.833 1.00 15.73 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.582 -5.731  -9.614  1.00 17.28 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.594 -5.226  -9.005  1.00 19.53 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.283 -5.842  -12.141 1.00 16.55 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -20.120 -6.728  -13.386 1.00 17.35 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.221 -4.747  -12.097 1.00 17.56 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -19.019 -7.700  -13.291 1.00 21.55 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.833 -5.539  -9.241  1.00 16.01 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.204 -4.685  -8.066  1.00 17.42 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.602 -5.296  -6.793  1.00 20.71 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.255 -4.511  -5.865  1.00 23.93 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.739 -4.577  -7.997  1.00 16.26 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.120 -4.104  -9.283  1.00 16.45 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.195 -3.617  -6.921  1.00 18.54 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.503 -6.619  -6.712  1.00 19.43 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -21.013 -7.390  -5.519  1.00 20.36 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.600 -7.932  -5.773  1.00 21.23 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.398 -9.128  -5.589  1.00 20.22 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -22.054 -8.412  -5.135  1.00 19.75 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.737 -9.184  -3.879  1.00 25.51 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -21.333 -8.521  -2.908  1.00 25.29 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.846 -10.435 -3.907  1.00 23.26 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.677 -7.075  -6.197  1.00 22.19 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.226 -7.391  -6.313  1.00 26.15 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -17.047 -8.600  -7.235  1.00 25.35 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -16.105 -9.369  -7.048  1.00 25.78 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.597 -7.735  -4.952  1.00 30.52 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.835 -6.757  -3.847  1.00 37.97 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.374 -5.453  -3.897  1.00 49.07 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.449 -6.906  -2.650  1.00 46.57 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.721 -4.825  -2.786  1.00 51.70 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.377 -5.699  -1.996  1.00 50.35 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.933 -8.785  -8.203  1.00 20.18 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.664 -9.805  -9.230  1.00 17.33 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -18.087 -11.190 -8.790  1.00 15.90 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.557 -12.143 -9.349  1.00 15.82 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.932 -11.330 -7.789  1.00 14.95 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.308 -12.657 -7.240  1.00 13.31 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.988 -13.520 -8.300  1.00 14.36 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.766 -12.996 -9.113  1.00 14.47 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -20.157 -12.577 -6.018  1.00 15.61 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.331 -11.785 -6.168  1.00 16.14 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.766 -14.810 -8.263  1.00 13.09 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.403 -15.720 -9.244  1.00 12.43 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.900 -15.776 -9.019  1.00 12.03 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.404 -16.012 -7.890  1.00 13.30 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.823 -17.128 -9.117  1.00 13.15 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.350 -18.164 -10.116 1.00 13.05 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.954 -17.836 -11.531 1.00 13.53 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.774 -19.540 -9.717  1.00 14.94 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.656 -15.646 -10.123 1.00 10.41 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.110 -15.860 -10.152 1.00 11.75 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.452 -17.281 -10.623 1.00 10.74 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.264 -17.980 -9.989  1.00 11.14 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.806 -14.799 -11.029 1.00 11.67 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.617 -13.407 -10.459 1.00 12.22 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.287 -15.142 -11.233 1.00 11.43 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -25.031 -12.305 -11.421 1.00 12.54 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.875 -17.714 -11.734 1.00 10.52 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.269 -19.007 -12.343 1.00 10.21 ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.210 -19.395 -13.367 1.00 10.18 ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.748 -18.523 -14.136 1.00 10.52 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.642 -18.948 -13.034 1.00 10.58 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.188 -20.302 -13.386 1.00 10.35 ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.793 -21.131 -12.444 1.00 10.97 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -26.035 -20.825 -14.667 1.00 10.57 ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.225 -22.407 -12.768 1.00 11.67 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.500 -22.093 -14.997 1.00 11.70 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -27.046 -22.907 -14.042 1.00 11.79 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.484 -24.181 -14.290 1.00 14.29 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.950 -20.710 -13.468 1.00 10.50 ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.107 -21.320 -14.530 1.00 10.90 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.886 -22.423 -15.223 1.00 11.12 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.260 -23.429 -14.591 1.00 11.98 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.781 -21.866 -13.965 1.00 11.19 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.985 -20.750 -13.588 1.00 12.01 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -20.012 -22.684 -14.985 1.00 12.82 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.099 -22.274 -16.542 1.00 11.11 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.459 -23.395 -17.438 1.00 10.71 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.152 -24.076 -17.868 1.00 11.72 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.283 -23.422 -18.446 1.00 11.41 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.147 -22.916 -18.717 1.00 11.73 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.530 -22.309 -18.559 1.00 10.45 ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.668 -20.946 -18.304 1.00 10.48 ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.670 -23.058 -18.771 1.00 11.30 ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.930 -20.373 -18.222 1.00 11.21 ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.931 -22.475 -18.683 1.00 11.74 ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -28.039 -21.140 -18.405 1.00 11.03 ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -22.042 -25.365 -17.595 1.00 12.83 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.867 -26.112 -18.073 1.00 14.33 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.340 -27.279 -18.942 1.00 14.26 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.539 -27.564 -19.015 1.00 15.82 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.044 -26.521 -16.883 1.00 16.75 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.694 -27.532 -16.164 1.00 19.80 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.391 -27.938 -19.613 1.00 15.90 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.718 -29.022 -20.590 1.00 18.19 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.671 -28.488 -21.662 1.00 17.49 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.574 -29.216 -22.111 1.00 17.79 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.374 -30.217 -19.903 1.00 23.95 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.582 -30.785 -18.753 1.00 27.55 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.211 -32.082 -18.263 1.00 39.16 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.262 -32.028 -17.564 1.00 38.87 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.706 -33.152 -18.663 1.00 48.13 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.504 -27.222 -22.041 1.00 14.76 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.404 -26.625 -23.039 1.00 13.82 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.159 -27.253 -24.414 1.00 15.36 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.980 -27.450 -24.803 1.00 17.45 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.213 -25.118 -23.178 1.00 13.55 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.651 -24.182 -21.680 1.00 13.97 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.234 -27.479 -25.151 1.00 14.50 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.090 -28.025 -26.518 1.00 15.28 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.530 -26.895 -27.447 1.00 13.05 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.713 -26.764 -27.840 1.00 15.86 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.822 -29.373 -26.658 1.00 16.61 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.671 -29.867 -28.112 1.00 17.82 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.261 -30.367 -25.657 1.00 18.67 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.624 -25.981 -27.779 1.00 12.73 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.974 -24.751 -28.524 1.00 12.71 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.530 -25.108 -29.897 1.00 15.00 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.536 -24.531 -30.340 1.00 15.10 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.822 -23.763 -28.529 1.00 12.91 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.378 -23.247 -27.174 1.00 12.06 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.304 -22.751 -26.254 1.00 12.26 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -20.042 -23.260 -26.792 1.00 13.96 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.883 -22.285 -25.012 1.00 12.45 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.630 -22.761 -25.566 1.00 14.17 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.554 -22.286 -24.678 1.00 12.80 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.834 -25.991 -30.603 1.00 13.53 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.328 -26.574 -31.877 1.00 13.88 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.445 -25.508 -32.967 1.00 13.76 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.263 -25.712 -33.903 1.00 15.48 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.588 -27.360 -31.696 1.00 14.83 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.667 -24.446 -32.905 1.00 15.00 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.641 -23.370 -33.894 1.00 14.99 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -22.016 -22.101 -33.362 1.00 13.35 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.590 -22.051 -32.174 1.00 13.55 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.906 -21.078 -34.203 1.00 13.40 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.433 -19.775 -33.763 1.00 12.69 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.394 -19.205 -32.718 1.00 12.68 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.582 -19.496 -32.772 1.00 12.84 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.376 -18.881 -34.990 1.00 13.34 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.542 -19.876 -36.168 1.00 13.21 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.268 -21.065 -35.631 1.00 13.01 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.826 -18.450 -31.790 1.00 12.26 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.606 -17.812 -30.696 1.00 11.56 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.728 -16.319 -30.961 1.00 12.44 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.779 -15.673 -31.450 1.00 13.04 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.925 -18.036 -29.344 1.00 12.32 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.931 -19.455 -28.781 1.00 12.80 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.101 -19.492 -27.518 1.00 13.48 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.347 -19.965 -28.541 1.00 13.35 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.864 -15.739 -30.549 1.00 11.13 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -24.076 -14.285 -30.537 1.00 11.42 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.491 -13.828 -29.139 1.00 9.89  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.256 -14.522 -28.461 1.00 10.48 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.154 -13.919 -31.554 1.00 12.45 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.639 -14.259 -32.959 1.00 14.51 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.550 -13.912 -34.110 1.00 16.33 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.635 -12.484 -34.213 1.00 14.95 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.370 -11.865 -35.110 1.00 15.74 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.973 -12.566 -36.045 1.00 16.24 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.415 -10.556 -35.113 1.00 14.73 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -24.044 -12.639 -28.711 1.00 9.98  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.608 -12.039 -27.490 1.00 10.19 ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.120 -11.870 -27.648 1.00 9.76  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.633 -11.575 -28.724 1.00 9.91  ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.926 -10.680 -27.375 1.00 11.36 ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.646 -10.839 -28.212 1.00 12.48 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -23.036 -11.771 -29.338 1.00 12.03 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.860 -12.148 -26.578 1.00 9.28  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.336 -12.198 -26.538 1.00 10.26 ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.860 -11.255 -25.451 1.00 9.11  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.343 -11.234 -24.315 1.00 9.50  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.807 -13.625 -26.264 1.00 10.28 ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.301 -13.752 -26.090 1.00 10.50 ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.133 -13.733 -27.216 1.00 11.44 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.881 -13.760 -24.829 1.00 11.16 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.514 -13.791 -27.036 1.00 11.88 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.261 -13.798 -24.675 1.00 10.50 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -33.061 -13.826 -25.777 1.00 11.33 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.911 -10.510 -25.788 1.00 9.20  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.517 -9.493  -24.894 1.00 9.61  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -32.034 -9.560  -24.997 1.00 10.23 ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.578 -9.659  -26.130 1.00 10.16 ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -30.070 -8.082  -25.279 1.00 9.94  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.573 -7.936  -25.404 1.00 9.73  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.935 -8.214  -26.598 1.00 10.45 ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.805 -7.492  -24.327 1.00 11.30 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.548 -8.158  -26.705 1.00 10.89 ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.441 -7.349  -24.471 1.00 11.66 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.823 -7.679  -25.655 1.00 11.31 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.723 -9.374  -23.881 1.00 9.97  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.184 -9.121  -23.840 1.00 9.82  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.408 -7.971  -22.862 1.00 10.56 ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -34.116 -8.152  -21.696 1.00 10.71 ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.967 -10.376 -23.433 1.00 10.16 ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.467 -10.238 -23.512 1.00 12.04 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.985 -9.166  -23.741 1.00 12.46 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.171 -11.348 -23.375 1.00 14.26 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.966 -6.849  -23.340 1.00 9.98  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.217 -5.696  -22.428 1.00 10.15 ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.474 -5.945  -21.581 1.00 11.31 ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.729 -5.121  -20.671 1.00 11.28 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.325 -4.356  -23.185 1.00 11.32 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -34.030 -4.049  -23.898 1.00 11.51 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.506 -4.339  -24.161 1.00 11.05 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.281 -6.947  -21.934 1.00 10.90 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.567 -7.193  -21.232 1.00 11.34 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.663 -6.244  -21.670 1.00 11.75 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.424 -5.206  -22.294 1.00 11.53 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.898 -6.661  -21.387 1.00 13.01 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -42.100 -5.829  -21.629 1.00 12.48 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -42.143 -4.739  -20.573 1.00 11.91 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.397 -4.748  -19.579 1.00 12.39 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.367 -6.682  -21.655 1.00 13.29 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.494 -7.590  -22.860 1.00 14.62 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.847 -7.077  -24.094 1.00 16.48 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.254 -8.940  -22.720 1.00 16.46 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.941 -7.926  -25.202 1.00 17.22 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.360 -9.777  -23.821 1.00 16.69 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.730 -9.271  -25.027 1.00 16.33 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -43.016 -3.789  -20.818 1.00 12.62 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.175 -2.670  -19.859 1.00 11.31 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.681 -2.477  -19.615 1.00 11.68 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.179 -1.323  -19.708 1.00 13.89 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.510 -1.403  -20.364 1.00 12.33 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.548 -0.282  -19.358 1.00 11.65 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.533 -0.526  -18.153 1.00 12.95 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.478 0.953   -19.844 1.00 13.68 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.382 -3.533  -19.269 1.00 12.49 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.826 -3.427  -18.897 1.00 12.41 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.992 -2.562  -17.650 1.00 13.74 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -48.082 -1.924  -17.464 1.00 14.37 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.418 -4.820  -18.658 1.00 13.16 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.505 -5.692  -19.878 1.00 15.52 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.426 -5.419  -20.881 1.00 19.96 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.671 -6.789  -20.026 1.00 17.00 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.506 -6.190  -22.035 1.00 19.73 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.744 -7.574  -21.181 1.00 18.11 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.651 -7.266  -22.171 1.00 20.01 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.749 -8.055  -23.289 1.00 25.81 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -46.042 -2.607  -16.713 1.00 12.68 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -46.152 -1.984  -15.373 1.00 13.17 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.813 -0.497  -15.409 1.00 13.08 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.102 0.196   -14.391 1.00 15.42 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.210 -2.611  -14.388 1.00 14.34 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.861 -2.403  -14.844 1.00 15.31 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.131 -0.037  -16.444 1.00 12.78 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.552 1.315   -16.460 1.00 13.04 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.322 1.427   -15.607 1.00 14.04 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.776 2.540   -15.506 1.00 18.24 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.837 0.324   -15.037 1.00 13.02 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.633 0.368   -14.220 1.00 13.33 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.433 -0.294  -14.901 1.00 13.13 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.395 -0.432  -14.206 1.00 14.93 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.538 -0.669  -16.174 1.00 11.15 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.430 -1.380  -16.834 1.00 10.73 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.987 -0.661  -18.109 1.00 11.00 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.465 -1.324  -19.027 1.00 12.14 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.812 -2.822  -17.124 1.00 11.03 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.602 -3.655  -17.464 1.00 11.36 ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.558 -3.482  -16.839 1.00 11.94 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.793 -4.610  -18.351 1.00 11.70 ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -39.074 0.657   -18.188 1.00 11.54 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.670 1.390   -19.416 1.00 11.29 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.154 1.510   -19.562 1.00 11.54 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.697 1.813   -20.672 1.00 13.19 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.300 2.786   -19.403 1.00 11.94 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.395 1.336   -18.468 1.00 11.78 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.938 1.600   -18.504 1.00 11.37 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.259 0.714   -19.567 1.00 11.74 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.690 -0.415  -19.847 1.00 11.46 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.307 1.414   -17.148 1.00 11.62 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.155 1.204   -20.152 1.00 11.54 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.431 0.454   -21.169 1.00 10.95 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.538 -0.643  -20.567 1.00 10.64 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.150 -0.618  -19.400 1.00 11.54 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.551 1.519   -21.820 1.00 12.48 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.248 2.492   -20.689 1.00 14.05 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.552 2.520   -19.897 1.00 12.88 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.164 -1.591  -21.443 1.00 10.65 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.921 -2.370  -21.274 1.00 10.60 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.789 -1.564  -21.924 1.00 11.00 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.989 -1.067  -23.055 1.00 11.96 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -30.082 -3.735  -21.926 1.00 10.99 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -31.098 -4.688  -21.293 1.00 11.52 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.244 -5.954  -22.134 1.00 11.88 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.724 -5.071  -19.874 1.00 13.34 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.647 -1.464  -21.254 1.00 11.42 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.490 -0.716  -21.816 1.00 12.14 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.246 -1.573  -21.765 1.00 12.58 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.919 -2.119  -20.675 1.00 13.35 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.228 0.573   -21.031 1.00 14.95 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.413 1.470   -20.779 1.00 18.05 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.987 2.754   -20.077 1.00 21.38 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -28.150 3.643   -19.709 1.00 26.71 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.666 4.895   -19.074 1.00 31.97 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.510 -1.624  -22.849 1.00 13.21 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.175 -2.275  -22.826 1.00 13.47 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.196 -1.314  -22.151 1.00 15.00 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -22.023 -0.179  -22.647 1.00 18.33 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.777 -2.665  -24.246 1.00 14.96 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.546 -3.904  -24.702 1.00 15.62 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.849 -3.961  -26.196 1.00 20.09 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.894 -5.182  -24.161 1.00 13.43 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.553 -1.778  -21.093 1.00 16.20 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.649 -0.930  -20.257 1.00 18.11 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.290 -0.824  -20.910 1.00 21.40 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.758 -1.772  -21.471 1.00 19.47 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.377 -1.555  -18.905 1.00 18.87 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.851 -2.057  -18.021 1.00 21.38 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.628 0.335   -20.738 1.00 25.34 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.289 0.508   -21.271 1.00 28.71 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.298 -0.411  -20.547 1.00 27.52 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.495 -0.711  -19.379 1.00 28.78 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -17.033 2.012   -21.021 1.00 29.21 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.929 2.392   -19.866 1.00 30.40 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -19.148 1.513   -20.020 1.00 27.19 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.313 -0.871  -21.314 1.00 31.91 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -14.087 -1.615  -20.923 1.00 38.68 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.230 -0.775  -19.968 1.00 42.43 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.414 -1.373  -19.240 1.00 45.05 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.295 -1.906  -22.205 1.00 41.25 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.758 -3.554  -22.933 1.00 35.37 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.416 -3.280  -23.234 1.00 23.56 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.521 -4.216  -24.023 1.00 41.04 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.595 -3.468  -25.223 1.00 52.07 ? 201 EDO B O2  1 
HETATM 1571 N N1  . O1M C 3 .   ? -36.221 6.597   -21.301 0.78 27.23 ? 202 O1M B N1  1 
HETATM 1572 C C4  . O1M C 3 .   ? -34.767 6.581   -21.218 0.78 26.57 ? 202 O1M B C4  1 
HETATM 1573 C C5  . O1M C 3 .   ? -34.448 5.221   -17.705 0.78 22.36 ? 202 O1M B C5  1 
HETATM 1574 C C6  . O1M C 3 .   ? -33.056 5.103   -17.532 0.78 20.80 ? 202 O1M B C6  1 
HETATM 1575 C C7  . O1M C 3 .   ? -32.515 4.660   -16.330 0.78 21.97 ? 202 O1M B C7  1 
HETATM 1576 C C8  . O1M C 3 .   ? -33.368 4.340   -15.309 0.78 19.96 ? 202 O1M B C8  1 
HETATM 1577 C C10 . O1M C 3 .   ? -35.270 4.901   -16.610 0.78 21.61 ? 202 O1M B C10 1 
HETATM 1578 N N   . O1M C 3 .   ? -36.473 8.416   -22.680 0.78 30.68 ? 202 O1M B N   1 
HETATM 1579 C C   . O1M C 3 .   ? -37.024 7.432   -21.979 0.78 28.29 ? 202 O1M B C   1 
HETATM 1580 O O   . O1M C 3 .   ? -38.243 7.241   -21.993 0.78 32.54 ? 202 O1M B O   1 
HETATM 1581 C C1  . O1M C 3 .   ? -36.787 5.471   -20.580 0.78 27.43 ? 202 O1M B C1  1 
HETATM 1582 C C2  . O1M C 3 .   ? -36.451 5.595   -19.116 0.78 24.95 ? 202 O1M B C2  1 
HETATM 1583 C C3  . O1M C 3 .   ? -34.261 6.560   -19.788 0.78 25.35 ? 202 O1M B C3  1 
HETATM 1584 C C9  . O1M C 3 .   ? -34.727 4.471   -15.414 0.78 21.25 ? 202 O1M B C9  1 
HETATM 1585 F F   . O1M C 3 .   ? -32.863 3.902   -14.126 0.78 26.75 ? 202 O1M B F   1 
HETATM 1586 N N2  . O1M C 3 .   ? -35.008 5.693   -18.862 0.78 22.90 ? 202 O1M B N2  1 
HETATM 1587 C C1  . EDO D 2 .   ? -50.779 -16.674 -33.188 1.00 32.46 ? 203 EDO B C1  1 
HETATM 1588 O O1  . EDO D 2 .   ? -49.395 -16.389 -33.172 1.00 24.56 ? 203 EDO B O1  1 
HETATM 1589 C C2  . EDO D 2 .   ? -51.271 -17.032 -31.848 1.00 30.84 ? 203 EDO B C2  1 
HETATM 1590 O O2  . EDO D 2 .   ? -51.543 -15.883 -31.094 1.00 40.62 ? 203 EDO B O2  1 
HETATM 1591 S S   . SO4 E 4 .   ? -40.487 -24.818 -26.217 1.00 40.38 ? 204 SO4 B S   1 
HETATM 1592 O O1  . SO4 E 4 .   ? -39.775 -23.840 -26.995 1.00 24.35 ? 204 SO4 B O1  1 
HETATM 1593 O O2  . SO4 E 4 .   ? -41.439 -25.489 -27.043 1.00 45.35 ? 204 SO4 B O2  1 
HETATM 1594 O O3  . SO4 E 4 .   ? -39.551 -25.778 -25.667 1.00 44.54 ? 204 SO4 B O3  1 
HETATM 1595 O O4  . SO4 E 4 .   ? -41.190 -24.161 -25.136 1.00 42.81 ? 204 SO4 B O4  1 
HETATM 1596 O O   . HOH F 5 .   ? -38.849 -15.416 -11.671 1.00 32.51 ? 301 HOH B O   1 
HETATM 1597 O O   . HOH F 5 .   ? -22.863 -1.792  -9.857  1.00 26.52 ? 302 HOH B O   1 
HETATM 1598 O O   . HOH F 5 .   ? -45.803 3.677   -34.157 1.00 26.15 ? 303 HOH B O   1 
HETATM 1599 O O   . HOH F 5 .   ? -41.230 5.420   -28.444 1.00 32.00 ? 304 HOH B O   1 
HETATM 1600 O O   . HOH F 5 .   ? -26.864 -28.580 -27.748 1.00 23.89 ? 305 HOH B O   1 
HETATM 1601 O O   . HOH F 5 .   ? -8.977  -13.448 -25.046 1.00 42.80 ? 306 HOH B O   1 
HETATM 1602 O O   . HOH F 5 .   ? -47.183 1.346   -25.560 1.00 47.83 ? 307 HOH B O   1 
HETATM 1603 O O   . HOH F 5 .   ? -9.457  -18.843 -30.188 1.00 44.27 ? 308 HOH B O   1 
HETATM 1604 O O   . HOH F 5 .   ? -40.247 -1.298  -9.800  1.00 34.28 ? 309 HOH B O   1 
HETATM 1605 O O   . HOH F 5 .   ? -29.783 -12.660 -37.800 1.00 21.37 ? 310 HOH B O   1 
HETATM 1606 O O   . HOH F 5 .   ? -15.590 -5.432  -13.830 1.00 30.54 ? 311 HOH B O   1 
HETATM 1607 O O   . HOH F 5 .   ? -33.150 0.958   -33.507 1.00 18.54 ? 312 HOH B O   1 
HETATM 1608 O O   . HOH F 5 .   ? -18.759 -22.085 -35.700 1.00 17.14 ? 313 HOH B O   1 
HETATM 1609 O O   . HOH F 5 .   ? -35.982 -22.661 -19.626 1.00 24.34 ? 314 HOH B O   1 
HETATM 1610 O O   . HOH F 5 .   ? -24.393 -31.055 -21.899 1.00 39.00 ? 315 HOH B O   1 
HETATM 1611 O O   . HOH F 5 .   ? -24.040 1.124   -10.780 1.00 33.84 ? 316 HOH B O   1 
HETATM 1612 O O   . HOH F 5 .   ? -13.551 -23.576 -31.576 1.00 16.07 ? 317 HOH B O   1 
HETATM 1613 O O   . HOH F 5 .   ? -38.039 2.792   -22.820 1.00 17.42 ? 318 HOH B O   1 
HETATM 1614 O O   . HOH F 5 .   ? -19.389 -29.696 -15.518 1.00 29.15 ? 319 HOH B O   1 
HETATM 1615 O O   . HOH F 5 .   ? -45.592 0.060   -11.820 1.00 26.61 ? 320 HOH B O   1 
HETATM 1616 O O   . HOH F 5 .   ? -49.777 -1.591  -19.447 1.00 26.02 ? 321 HOH B O   1 
HETATM 1617 O O   . HOH F 5 .   ? -25.986 -22.783 -35.782 1.00 26.98 ? 322 HOH B O   1 
HETATM 1618 O O   . HOH F 5 .   ? -38.401 3.743   -41.959 1.00 29.41 ? 323 HOH B O   1 
HETATM 1619 O O   . HOH F 5 .   ? -36.575 -23.167 -30.766 1.00 30.83 ? 324 HOH B O   1 
HETATM 1620 O O   . HOH F 5 .   ? -21.208 -6.018  -2.032  1.00 39.15 ? 325 HOH B O   1 
HETATM 1621 O O   . HOH F 5 .   ? -12.718 -21.268 -18.696 1.00 28.55 ? 326 HOH B O   1 
HETATM 1622 O O   . HOH F 5 .   ? -17.684 -21.305 -12.359 1.00 17.09 ? 327 HOH B O   1 
HETATM 1623 O O   . HOH F 5 .   ? -17.564 -27.663 -19.628 1.00 20.39 ? 328 HOH B O   1 
HETATM 1624 O O   . HOH F 5 .   ? -31.005 -6.725  -11.275 1.00 13.77 ? 329 HOH B O   1 
HETATM 1625 O O   . HOH F 5 .   ? -37.067 -16.573 -39.307 1.00 26.31 ? 330 HOH B O   1 
HETATM 1626 O O   . HOH F 5 .   ? -35.061 -9.158  -5.986  1.00 45.59 ? 331 HOH B O   1 
HETATM 1627 O O   . HOH F 5 .   ? -30.256 -24.134 -33.781 1.00 24.20 ? 332 HOH B O   1 
HETATM 1628 O O   . HOH F 5 .   ? -16.247 -19.509 -15.683 1.00 25.76 ? 333 HOH B O   1 
HETATM 1629 O O   . HOH F 5 .   ? -45.189 -7.869  -39.052 1.00 17.28 ? 334 HOH B O   1 
HETATM 1630 O O   . HOH F 5 .   ? -38.875 -2.594  -21.371 1.00 13.97 ? 335 HOH B O   1 
HETATM 1631 O O   . HOH F 5 .   ? -30.919 -20.417 -21.272 1.00 12.74 ? 336 HOH B O   1 
HETATM 1632 O O   . HOH F 5 .   ? -18.619 -4.673  -24.751 1.00 18.84 ? 337 HOH B O   1 
HETATM 1633 O O   . HOH F 5 .   ? -10.329 -23.402 -21.617 1.00 32.44 ? 338 HOH B O   1 
HETATM 1634 O O   . HOH F 5 .   ? -37.420 -25.494 -11.172 1.00 37.16 ? 339 HOH B O   1 
HETATM 1635 O O   . HOH F 5 .   ? -27.772 -27.469 -25.857 1.00 29.71 ? 340 HOH B O   1 
HETATM 1636 O O   . HOH F 5 .   ? -19.482 -4.328  -22.047 1.00 16.01 ? 341 HOH B O   1 
HETATM 1637 O O   . HOH F 5 .   ? -36.841 -26.158 -23.760 1.00 35.99 ? 342 HOH B O   1 
HETATM 1638 O O   . HOH F 5 .   ? -38.300 0.286   -11.822 1.00 31.90 ? 343 HOH B O   1 
HETATM 1639 O O   . HOH F 5 .   ? -45.255 -12.486 -26.474 1.00 32.50 ? 344 HOH B O   1 
HETATM 1640 O O   . HOH F 5 .   ? -38.703 -7.731  -10.769 1.00 15.87 ? 345 HOH B O   1 
HETATM 1641 O O   . HOH F 5 .   ? -32.433 4.626   -33.023 1.00 20.56 ? 346 HOH B O   1 
HETATM 1642 O O   . HOH F 5 .   ? -26.715 2.023   -11.226 1.00 22.85 ? 347 HOH B O   1 
HETATM 1643 O O   . HOH F 5 .   ? -26.639 -25.819 -16.308 1.00 17.87 ? 348 HOH B O   1 
HETATM 1644 O O   . HOH F 5 .   ? -9.619  -20.757 -28.823 1.00 49.19 ? 349 HOH B O   1 
HETATM 1645 O O   . HOH F 5 .   ? -10.793 -21.200 -24.964 1.00 29.72 ? 350 HOH B O   1 
HETATM 1646 O O   . HOH F 5 .   ? -35.895 -19.442 -30.378 1.00 35.02 ? 351 HOH B O   1 
HETATM 1647 O O   . HOH F 5 .   ? -37.226 1.072   -15.568 1.00 15.70 ? 352 HOH B O   1 
HETATM 1648 O O   . HOH F 5 .   ? -34.156 -22.193 -31.326 1.00 18.58 ? 353 HOH B O   1 
HETATM 1649 O O   . HOH F 5 .   ? -19.974 1.751   -30.721 1.00 33.42 ? 354 HOH B O   1 
HETATM 1650 O O   . HOH F 5 .   ? -23.499 4.296   -24.753 1.00 29.06 ? 355 HOH B O   1 
HETATM 1651 O O   . HOH F 5 .   ? -41.300 -10.160 -37.014 1.00 28.45 ? 356 HOH B O   1 
HETATM 1652 O O   . HOH F 5 .   ? -27.198 -20.220 -6.831  1.00 16.51 ? 357 HOH B O   1 
HETATM 1653 O O   . HOH F 5 .   ? -36.392 -2.004  -33.817 1.00 20.48 ? 358 HOH B O   1 
HETATM 1654 O O   . HOH F 5 .   ? -30.828 1.081   -17.101 1.00 22.26 ? 359 HOH B O   1 
HETATM 1655 O O   . HOH F 5 .   ? -16.855 -5.554  -9.315  1.00 32.14 ? 360 HOH B O   1 
HETATM 1656 O O   . HOH F 5 .   ? -26.664 3.326   -35.415 1.00 32.48 ? 361 HOH B O   1 
HETATM 1657 O O   . HOH F 5 .   ? -40.976 -14.598 -8.465  1.00 25.32 ? 362 HOH B O   1 
HETATM 1658 O O   . HOH F 5 .   ? -42.527 -3.992  -39.506 1.00 24.64 ? 363 HOH B O   1 
HETATM 1659 O O   . HOH F 5 .   ? -15.103 -19.781 -37.500 1.00 29.40 ? 364 HOH B O   1 
HETATM 1660 O O   . HOH F 5 .   ? -47.169 -17.060 -31.623 1.00 14.16 ? 365 HOH B O   1 
HETATM 1661 O O   . HOH F 5 .   ? -40.375 -14.591 -31.325 1.00 13.86 ? 366 HOH B O   1 
HETATM 1662 O O   . HOH F 5 .   ? -18.033 -19.887 -37.518 1.00 30.52 ? 367 HOH B O   1 
HETATM 1663 O O   . HOH F 5 .   ? -13.618 -21.028 -35.191 1.00 30.25 ? 368 HOH B O   1 
HETATM 1664 O O   . HOH F 5 .   ? -36.637 -1.062  -22.094 1.00 12.68 ? 369 HOH B O   1 
HETATM 1665 O O   . HOH F 5 .   ? -18.068 -4.350  -5.845  1.00 35.64 ? 370 HOH B O   1 
HETATM 1666 O O   . HOH F 5 .   ? -32.484 -5.073  -12.926 1.00 11.79 ? 371 HOH B O   1 
HETATM 1667 O O   . HOH F 5 .   ? -41.543 -7.933  -3.470  1.00 38.17 ? 372 HOH B O   1 
HETATM 1668 O O   . HOH F 5 .   ? -19.380 -26.223 -31.779 1.00 19.15 ? 373 HOH B O   1 
HETATM 1669 O O   . HOH F 5 .   ? -23.410 2.243   -23.052 1.00 30.43 ? 374 HOH B O   1 
HETATM 1670 O O   . HOH F 5 .   ? -21.015 -16.321 -5.453  1.00 17.19 ? 375 HOH B O   1 
HETATM 1671 O O   . HOH F 5 .   ? -26.804 -17.545 -7.662  1.00 16.43 ? 376 HOH B O   1 
HETATM 1672 O O   . HOH F 5 .   ? -45.774 -19.846 -31.682 1.00 23.20 ? 377 HOH B O   1 
HETATM 1673 O O   . HOH F 5 .   ? -18.283 -17.364 -36.117 1.00 29.36 ? 378 HOH B O   1 
HETATM 1674 O O   . HOH F 5 .   ? -46.116 -4.416  -33.844 1.00 25.64 ? 379 HOH B O   1 
HETATM 1675 O O   . HOH F 5 .   ? -24.094 -12.371 -6.581  1.00 18.85 ? 380 HOH B O   1 
HETATM 1676 O O   . HOH F 5 .   ? -36.692 -0.518  -42.278 1.00 34.70 ? 381 HOH B O   1 
HETATM 1677 O O   . HOH F 5 .   ? -25.307 -14.237 -3.520  1.00 30.92 ? 382 HOH B O   1 
HETATM 1678 O O   . HOH F 5 .   ? -41.398 -8.596  -13.371 1.00 20.54 ? 383 HOH B O   1 
HETATM 1679 O O   . HOH F 5 .   ? -43.763 -9.855  -37.020 1.00 33.44 ? 384 HOH B O   1 
HETATM 1680 O O   . HOH F 5 .   ? -15.979 -11.871 -5.632  1.00 41.73 ? 385 HOH B O   1 
HETATM 1681 O O   . HOH F 5 .   ? -14.640 -16.582 -33.231 1.00 28.61 ? 386 HOH B O   1 
HETATM 1682 O O   . HOH F 5 .   ? -35.655 -4.867  -42.221 1.00 24.54 ? 387 HOH B O   1 
HETATM 1683 O O   . HOH F 5 .   ? -42.732 -5.988  -12.270 1.00 25.43 ? 388 HOH B O   1 
HETATM 1684 O O   . HOH F 5 .   ? -31.660 3.318   -26.942 1.00 21.98 ? 389 HOH B O   1 
HETATM 1685 O O   . HOH F 5 .   ? -40.182 5.092   -22.052 1.00 28.00 ? 390 HOH B O   1 
HETATM 1686 O O   . HOH F 5 .   ? -25.763 -27.054 -23.803 1.00 17.41 ? 391 HOH B O   1 
HETATM 1687 O O   . HOH F 5 .   ? -25.426 -10.554 -23.519 1.00 13.07 ? 392 HOH B O   1 
HETATM 1688 O O   . HOH F 5 .   ? -32.653 -18.295 -37.333 1.00 34.70 ? 393 HOH B O   1 
HETATM 1689 O O   . HOH F 5 .   ? -34.097 -22.022 -36.499 1.00 40.51 ? 394 HOH B O   1 
HETATM 1690 O O   . HOH F 5 .   ? -45.808 -14.918 -27.308 1.00 31.07 ? 395 HOH B O   1 
HETATM 1691 O O   . HOH F 5 .   ? -9.429  -16.068 -26.478 1.00 29.23 ? 396 HOH B O   1 
HETATM 1692 O O   . HOH F 5 .   ? -23.997 -26.630 -15.834 1.00 22.71 ? 397 HOH B O   1 
HETATM 1693 O O   . HOH F 5 .   ? -44.058 -0.599  -24.361 1.00 31.85 ? 398 HOH B O   1 
HETATM 1694 O O   . HOH F 5 .   ? -42.511 1.350   -22.754 1.00 38.49 ? 399 HOH B O   1 
HETATM 1695 O O   . HOH F 5 .   ? -38.123 -14.800 -21.174 1.00 34.61 ? 400 HOH B O   1 
HETATM 1696 O O   . HOH F 5 .   ? -31.100 3.955   -24.330 1.00 25.01 ? 401 HOH B O   1 
HETATM 1697 O O   . HOH F 5 .   ? -24.846 -11.044 -4.125  1.00 24.54 ? 402 HOH B O   1 
HETATM 1698 O O   . HOH F 5 .   ? -24.953 -15.033 -6.756  1.00 15.82 ? 403 HOH B O   1 
HETATM 1699 O O   . HOH F 5 .   ? -33.597 -14.999 -6.880  1.00 22.85 ? 404 HOH B O   1 
HETATM 1700 O O   . HOH F 5 .   ? -24.581 -4.375  -36.667 1.00 38.44 ? 405 HOH B O   1 
HETATM 1701 O O   . HOH F 5 .   ? -42.507 -5.108  -43.690 1.00 24.73 ? 406 HOH B O   1 
HETATM 1702 O O   . HOH F 5 .   ? -18.891 -28.948 -23.311 1.00 28.57 ? 407 HOH B O   1 
HETATM 1703 O O   . HOH F 5 .   ? -13.331 -6.318  -29.188 1.00 34.45 ? 408 HOH B O   1 
HETATM 1704 O O   . HOH F 5 .   ? -18.108 -16.025 -6.095  1.00 24.06 ? 409 HOH B O   1 
HETATM 1705 O O   . HOH F 5 .   ? -33.704 -1.985  -38.224 1.00 23.89 ? 410 HOH B O   1 
HETATM 1706 O O   . HOH F 5 .   ? -18.078 -11.244 -35.640 1.00 26.21 ? 411 HOH B O   1 
HETATM 1707 O O   . HOH F 5 .   ? -40.116 -11.708 -22.959 1.00 29.51 ? 412 HOH B O   1 
HETATM 1708 O O   . HOH F 5 .   ? -45.084 7.543   -24.663 1.00 40.63 ? 413 HOH B O   1 
HETATM 1709 O O   . HOH F 5 .   ? -43.356 3.662   -18.835 1.00 22.91 ? 414 HOH B O   1 
HETATM 1710 O O   . HOH F 5 .   ? -34.473 -7.244  -7.855  1.00 29.50 ? 415 HOH B O   1 
HETATM 1711 O O   . HOH F 5 .   ? -16.091 -14.719 -8.631  1.00 35.69 ? 416 HOH B O   1 
HETATM 1712 O O   . HOH F 5 .   ? -12.847 -18.423 -34.841 1.00 37.08 ? 417 HOH B O   1 
HETATM 1713 O O   . HOH F 5 .   ? -29.129 7.692   -30.066 1.00 32.10 ? 418 HOH B O   1 
HETATM 1714 O O   . HOH F 5 .   ? -40.614 -7.693  -34.592 1.00 21.31 ? 419 HOH B O   1 
HETATM 1715 O O   . HOH F 5 .   ? -25.443 6.781   -28.964 1.00 27.87 ? 420 HOH B O   1 
HETATM 1716 O O   . HOH F 5 .   ? -47.639 0.039   -32.667 0.50 32.41 ? 421 HOH B O   1 
HETATM 1717 O O   . HOH F 5 .   ? -41.223 -8.972  -19.305 1.00 13.32 ? 422 HOH B O   1 
HETATM 1718 O O   . HOH F 5 .   ? -20.075 2.269   -24.012 1.00 39.16 ? 423 HOH B O   1 
HETATM 1719 O O   . HOH F 5 .   ? -30.933 -17.456 -42.737 1.00 37.75 ? 424 HOH B O   1 
HETATM 1720 O O   . HOH F 5 .   ? -41.044 6.429   -33.160 1.00 32.79 ? 425 HOH B O   1 
HETATM 1721 O O   . HOH F 5 .   ? -32.839 -23.645 -33.491 1.00 32.70 ? 426 HOH B O   1 
HETATM 1722 O O   . HOH F 5 .   ? -36.910 -6.778  -8.825  1.00 29.94 ? 427 HOH B O   1 
HETATM 1723 O O   . HOH F 5 .   ? -16.118 -7.260  -11.147 1.00 36.07 ? 428 HOH B O   1 
HETATM 1724 O O   . HOH F 5 .   ? -21.932 6.881   -32.220 1.00 35.36 ? 429 HOH B O   1 
HETATM 1725 O O   . HOH F 5 .   ? -8.259  -23.315 -30.038 1.00 34.25 ? 430 HOH B O   1 
HETATM 1726 O O   . HOH F 5 .   ? -26.390 -28.299 -21.495 1.00 37.34 ? 431 HOH B O   1 
HETATM 1727 O O   . HOH F 5 .   ? -22.945 3.271   -20.546 1.00 39.87 ? 432 HOH B O   1 
HETATM 1728 O O   . HOH F 5 .   ? -36.520 2.115   -42.913 1.00 41.12 ? 433 HOH B O   1 
HETATM 1729 O O   . HOH F 5 .   ? -39.166 -16.543 -40.980 1.00 43.61 ? 434 HOH B O   1 
HETATM 1730 O O   . HOH F 5 .   ? -15.987 -22.299 -14.500 1.00 30.77 ? 435 HOH B O   1 
HETATM 1731 O O   . HOH F 5 .   ? -28.404 -27.825 -16.644 1.00 27.84 ? 436 HOH B O   1 
HETATM 1732 O O   . HOH F 5 .   ? -31.616 -20.889 -39.800 1.00 38.75 ? 437 HOH B O   1 
HETATM 1733 O O   . HOH F 5 .   ? -26.336 -31.321 -23.921 1.00 30.53 ? 438 HOH B O   1 
HETATM 1734 O O   . HOH F 5 .   ? -42.178 -13.082 -22.288 1.00 35.86 ? 439 HOH B O   1 
# 
