data_9I9M
# 
_entry.id   9I9M 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_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   9I9M         pdb_00009i9m 10.2210/pdb9i9m/pdb 
WWPDB D_1292145317 ?            ?                   
# 
_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       2025-05-07 
_pdbx_audit_revision_history.part_number         ? 
# 
_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.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9I9M 
_pdbx_database_status.recvd_initial_deposition_date   2025-02-06 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          2z6o 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              reuvenw@ekmd.huji.ac.il 
_pdbx_contact_author.name_first         Reuven 
_pdbx_contact_author.name_last          Wiener 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-4219-550X 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Manoj Kumar, P.' 1 0000-0002-7083-5690 
'Banerjee, S.'    2 0009-0002-9409-6797 
'Wiener, R.'      3 0000-0002-4219-550X 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Nat Commun' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2041-1723 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            16 
_citation.language                  ? 
_citation.page_first                3912 
_citation.page_last                 3912 
_citation.title                     
'UFC1 reveals the multifactorial and plastic nature of oxyanion holes in E2 conjugating enzymes.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1038/s41467-025-58826-y 
_citation.pdbx_database_id_PubMed   40280917 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Kumar, M.'       1 ?                   
primary 'Banerjee, S.'    2 ?                   
primary 'Cohen-Kfir, E.'  3 ?                   
primary 'Mitelberg, M.B.' 4 ?                   
primary 'Tiwari, S.'      5 ?                   
primary 'Isupov, M.N.'    6 0000-0001-6842-4289 
primary 'Dessau, M.'      7 0000-0002-1954-3625 
primary 'Wiener, R.'      8 0000-0002-4219-550X 
# 
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 'Ubiquitin-fold modifier-conjugating enzyme 1' 19688.547 1   ? ? ? 
'chimeric UFC1 TAK (106-108) is changed to HPN motif present in other E2 proteins' 
2 non-polymer syn GLYCEROL                                       92.094    2   ? ? ? ? 
3 water       nat water                                          18.015    109 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Ufm1-conjugating enzyme 1' 
# 
_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       
;GSMADEATRRVVSEIPVLKTNAGPRDRELWVQRLKEEYQSLIRYVENNKNADNDWFRLESNKEGTRWFGKCWYIHDLLKY
EFDIEFDIPITYPTTAPEIAVPELDGKHPNMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPWLAVEIPDLIQKGV
IHHKEKCNQ
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GSMADEATRRVVSEIPVLKTNAGPRDRELWVQRLKEEYQSLIRYVENNKNADNDWFRLESNKEGTRWFGKCWYIHDLLKY
EFDIEFDIPITYPTTAPEIAVPELDGKHPNMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPWLAVEIPDLIQKGV
IHHKEKCNQ
;
_entity_poly.pdbx_strand_id                 AAA 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 GLYCEROL GOL 
3 water    HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   SER n 
1 3   MET n 
1 4   ALA n 
1 5   ASP n 
1 6   GLU n 
1 7   ALA n 
1 8   THR n 
1 9   ARG n 
1 10  ARG n 
1 11  VAL n 
1 12  VAL n 
1 13  SER n 
1 14  GLU n 
1 15  ILE n 
1 16  PRO n 
1 17  VAL n 
1 18  LEU n 
1 19  LYS n 
1 20  THR n 
1 21  ASN n 
1 22  ALA n 
1 23  GLY n 
1 24  PRO n 
1 25  ARG n 
1 26  ASP n 
1 27  ARG n 
1 28  GLU n 
1 29  LEU n 
1 30  TRP n 
1 31  VAL n 
1 32  GLN n 
1 33  ARG n 
1 34  LEU n 
1 35  LYS n 
1 36  GLU n 
1 37  GLU n 
1 38  TYR n 
1 39  GLN n 
1 40  SER n 
1 41  LEU n 
1 42  ILE n 
1 43  ARG n 
1 44  TYR n 
1 45  VAL n 
1 46  GLU n 
1 47  ASN n 
1 48  ASN n 
1 49  LYS n 
1 50  ASN n 
1 51  ALA n 
1 52  ASP n 
1 53  ASN n 
1 54  ASP n 
1 55  TRP n 
1 56  PHE n 
1 57  ARG n 
1 58  LEU n 
1 59  GLU n 
1 60  SER n 
1 61  ASN n 
1 62  LYS n 
1 63  GLU n 
1 64  GLY n 
1 65  THR n 
1 66  ARG n 
1 67  TRP n 
1 68  PHE n 
1 69  GLY n 
1 70  LYS n 
1 71  CYS n 
1 72  TRP n 
1 73  TYR n 
1 74  ILE n 
1 75  HIS n 
1 76  ASP n 
1 77  LEU n 
1 78  LEU n 
1 79  LYS n 
1 80  TYR n 
1 81  GLU n 
1 82  PHE n 
1 83  ASP n 
1 84  ILE n 
1 85  GLU n 
1 86  PHE n 
1 87  ASP n 
1 88  ILE n 
1 89  PRO n 
1 90  ILE n 
1 91  THR n 
1 92  TYR n 
1 93  PRO n 
1 94  THR n 
1 95  THR n 
1 96  ALA n 
1 97  PRO n 
1 98  GLU n 
1 99  ILE n 
1 100 ALA n 
1 101 VAL n 
1 102 PRO n 
1 103 GLU n 
1 104 LEU n 
1 105 ASP n 
1 106 GLY n 
1 107 LYS n 
1 108 HIS n 
1 109 PRO n 
1 110 ASN n 
1 111 MET n 
1 112 TYR n 
1 113 ARG n 
1 114 GLY n 
1 115 GLY n 
1 116 LYS n 
1 117 ILE n 
1 118 CYS n 
1 119 LEU n 
1 120 THR n 
1 121 ASP n 
1 122 HIS n 
1 123 PHE n 
1 124 LYS n 
1 125 PRO n 
1 126 LEU n 
1 127 TRP n 
1 128 ALA n 
1 129 ARG n 
1 130 ASN n 
1 131 VAL n 
1 132 PRO n 
1 133 LYS n 
1 134 PHE n 
1 135 GLY n 
1 136 LEU n 
1 137 ALA n 
1 138 HIS n 
1 139 LEU n 
1 140 MET n 
1 141 ALA n 
1 142 LEU n 
1 143 GLY n 
1 144 LEU n 
1 145 GLY n 
1 146 PRO n 
1 147 TRP n 
1 148 LEU n 
1 149 ALA n 
1 150 VAL n 
1 151 GLU n 
1 152 ILE n 
1 153 PRO n 
1 154 ASP n 
1 155 LEU n 
1 156 ILE n 
1 157 GLN n 
1 158 LYS n 
1 159 GLY n 
1 160 VAL n 
1 161 ILE n 
1 162 HIS n 
1 163 HIS n 
1 164 LYS n 
1 165 GLU n 
1 166 LYS n 
1 167 CYS n 
1 168 ASN n 
1 169 GLN 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                   169 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'UFC1, CGI-126, HSPC155' 
_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      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_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               T7-Express 
_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 
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  
GOL non-polymer         . GLYCEROL        'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       92.094  
HIS 'L-peptide linking' y HISTIDINE       ?                               'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ?                               'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ?                               'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ?                               'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ?                               'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ?                               'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ?                               'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ?                               'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ?                               'C3 H7 N O3'     105.093 
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   GLY 1   -1  ?   ?   ?   AAA . n 
A 1 2   SER 2   0   0   SER SER AAA . n 
A 1 3   MET 3   1   1   MET MET AAA . n 
A 1 4   ALA 4   2   2   ALA ALA AAA . n 
A 1 5   ASP 5   3   3   ASP ASP AAA . n 
A 1 6   GLU 6   4   4   GLU GLU AAA . n 
A 1 7   ALA 7   5   5   ALA ALA AAA . n 
A 1 8   THR 8   6   6   THR THR AAA . n 
A 1 9   ARG 9   7   7   ARG ARG AAA . n 
A 1 10  ARG 10  8   8   ARG ARG AAA . n 
A 1 11  VAL 11  9   9   VAL VAL AAA . n 
A 1 12  VAL 12  10  10  VAL VAL AAA . n 
A 1 13  SER 13  11  11  SER SER AAA . n 
A 1 14  GLU 14  12  12  GLU GLU AAA . n 
A 1 15  ILE 15  13  13  ILE ILE AAA . n 
A 1 16  PRO 16  14  14  PRO PRO AAA . n 
A 1 17  VAL 17  15  15  VAL VAL AAA . n 
A 1 18  LEU 18  16  16  LEU LEU AAA . n 
A 1 19  LYS 19  17  17  LYS LYS AAA . n 
A 1 20  THR 20  18  18  THR THR AAA . n 
A 1 21  ASN 21  19  19  ASN ASN AAA . n 
A 1 22  ALA 22  20  20  ALA ALA AAA . n 
A 1 23  GLY 23  21  21  GLY GLY AAA . n 
A 1 24  PRO 24  22  22  PRO PRO AAA . n 
A 1 25  ARG 25  23  23  ARG ARG AAA . n 
A 1 26  ASP 26  24  24  ASP ASP AAA . n 
A 1 27  ARG 27  25  25  ARG ARG AAA . n 
A 1 28  GLU 28  26  26  GLU GLU AAA . n 
A 1 29  LEU 29  27  27  LEU LEU AAA . n 
A 1 30  TRP 30  28  28  TRP TRP AAA . n 
A 1 31  VAL 31  29  29  VAL VAL AAA . n 
A 1 32  GLN 32  30  30  GLN GLN AAA . n 
A 1 33  ARG 33  31  31  ARG ARG AAA . n 
A 1 34  LEU 34  32  32  LEU LEU AAA . n 
A 1 35  LYS 35  33  33  LYS LYS AAA . n 
A 1 36  GLU 36  34  34  GLU GLU AAA . n 
A 1 37  GLU 37  35  35  GLU GLU AAA . n 
A 1 38  TYR 38  36  36  TYR TYR AAA . n 
A 1 39  GLN 39  37  37  GLN GLN AAA . n 
A 1 40  SER 40  38  38  SER SER AAA . n 
A 1 41  LEU 41  39  39  LEU LEU AAA . n 
A 1 42  ILE 42  40  40  ILE ILE AAA . n 
A 1 43  ARG 43  41  41  ARG ARG AAA . n 
A 1 44  TYR 44  42  42  TYR TYR AAA . n 
A 1 45  VAL 45  43  43  VAL VAL AAA . n 
A 1 46  GLU 46  44  44  GLU GLU AAA . n 
A 1 47  ASN 47  45  45  ASN ASN AAA . n 
A 1 48  ASN 48  46  46  ASN ASN AAA . n 
A 1 49  LYS 49  47  47  LYS LYS AAA . n 
A 1 50  ASN 50  48  48  ASN ASN AAA . n 
A 1 51  ALA 51  49  49  ALA ALA AAA . n 
A 1 52  ASP 52  50  50  ASP ASP AAA . n 
A 1 53  ASN 53  51  51  ASN ASN AAA . n 
A 1 54  ASP 54  52  52  ASP ASP AAA . n 
A 1 55  TRP 55  53  53  TRP TRP AAA . n 
A 1 56  PHE 56  54  54  PHE PHE AAA . n 
A 1 57  ARG 57  55  55  ARG ARG AAA . n 
A 1 58  LEU 58  56  56  LEU LEU AAA . n 
A 1 59  GLU 59  57  57  GLU GLU AAA . n 
A 1 60  SER 60  58  58  SER SER AAA . n 
A 1 61  ASN 61  59  59  ASN ASN AAA . n 
A 1 62  LYS 62  60  60  LYS LYS AAA . n 
A 1 63  GLU 63  61  61  GLU GLU AAA . n 
A 1 64  GLY 64  62  62  GLY GLY AAA . n 
A 1 65  THR 65  63  63  THR THR AAA . n 
A 1 66  ARG 66  64  64  ARG ARG AAA . n 
A 1 67  TRP 67  65  65  TRP TRP AAA . n 
A 1 68  PHE 68  66  66  PHE PHE AAA . n 
A 1 69  GLY 69  67  67  GLY GLY AAA . n 
A 1 70  LYS 70  68  68  LYS LYS AAA . n 
A 1 71  CYS 71  69  69  CYS CYS AAA . n 
A 1 72  TRP 72  70  70  TRP TRP AAA . n 
A 1 73  TYR 73  71  71  TYR TYR AAA . n 
A 1 74  ILE 74  72  72  ILE ILE AAA . n 
A 1 75  HIS 75  73  73  HIS HIS AAA . n 
A 1 76  ASP 76  74  74  ASP ASP AAA . n 
A 1 77  LEU 77  75  75  LEU LEU AAA . n 
A 1 78  LEU 78  76  76  LEU LEU AAA . n 
A 1 79  LYS 79  77  77  LYS LYS AAA . n 
A 1 80  TYR 80  78  78  TYR TYR AAA . n 
A 1 81  GLU 81  79  79  GLU GLU AAA . n 
A 1 82  PHE 82  80  80  PHE PHE AAA . n 
A 1 83  ASP 83  81  81  ASP ASP AAA . n 
A 1 84  ILE 84  82  82  ILE ILE AAA . n 
A 1 85  GLU 85  83  83  GLU GLU AAA . n 
A 1 86  PHE 86  84  84  PHE PHE AAA . n 
A 1 87  ASP 87  85  85  ASP ASP AAA . n 
A 1 88  ILE 88  86  86  ILE ILE AAA . n 
A 1 89  PRO 89  87  87  PRO PRO AAA . n 
A 1 90  ILE 90  88  88  ILE ILE AAA . n 
A 1 91  THR 91  89  89  THR THR AAA . n 
A 1 92  TYR 92  90  90  TYR TYR AAA . n 
A 1 93  PRO 93  91  91  PRO PRO AAA . n 
A 1 94  THR 94  92  92  THR THR AAA . n 
A 1 95  THR 95  93  93  THR THR AAA . n 
A 1 96  ALA 96  94  94  ALA ALA AAA . n 
A 1 97  PRO 97  95  95  PRO PRO AAA . n 
A 1 98  GLU 98  96  96  GLU GLU AAA . n 
A 1 99  ILE 99  97  97  ILE ILE AAA . n 
A 1 100 ALA 100 98  98  ALA ALA AAA . n 
A 1 101 VAL 101 99  99  VAL VAL AAA . n 
A 1 102 PRO 102 100 100 PRO PRO AAA . n 
A 1 103 GLU 103 101 101 GLU GLU AAA . n 
A 1 104 LEU 104 102 102 LEU LEU AAA . n 
A 1 105 ASP 105 103 103 ASP ASP AAA . n 
A 1 106 GLY 106 104 104 GLY GLY AAA . n 
A 1 107 LYS 107 105 105 LYS LYS AAA . n 
A 1 108 HIS 108 106 106 HIS HIS AAA . n 
A 1 109 PRO 109 107 107 PRO PRO AAA . n 
A 1 110 ASN 110 108 108 ASN ASN AAA . n 
A 1 111 MET 111 109 109 MET MET AAA . n 
A 1 112 TYR 112 110 110 TYR TYR AAA . n 
A 1 113 ARG 113 111 111 ARG ARG AAA . n 
A 1 114 GLY 114 112 112 GLY GLY AAA . n 
A 1 115 GLY 115 113 113 GLY GLY AAA . n 
A 1 116 LYS 116 114 114 LYS LYS AAA . n 
A 1 117 ILE 117 115 115 ILE ILE AAA . n 
A 1 118 CYS 118 116 116 CYS CYS AAA . n 
A 1 119 LEU 119 117 117 LEU LEU AAA . n 
A 1 120 THR 120 118 118 THR THR AAA . n 
A 1 121 ASP 121 119 119 ASP ASP AAA . n 
A 1 122 HIS 122 120 120 HIS HIS AAA . n 
A 1 123 PHE 123 121 121 PHE PHE AAA . n 
A 1 124 LYS 124 122 122 LYS LYS AAA . n 
A 1 125 PRO 125 123 123 PRO PRO AAA . n 
A 1 126 LEU 126 124 124 LEU LEU AAA . n 
A 1 127 TRP 127 125 125 TRP TRP AAA . n 
A 1 128 ALA 128 126 126 ALA ALA AAA . n 
A 1 129 ARG 129 127 127 ARG ARG AAA . n 
A 1 130 ASN 130 128 128 ASN ASN AAA . n 
A 1 131 VAL 131 129 129 VAL VAL AAA . n 
A 1 132 PRO 132 130 130 PRO PRO AAA . n 
A 1 133 LYS 133 131 131 LYS LYS AAA . n 
A 1 134 PHE 134 132 132 PHE PHE AAA . n 
A 1 135 GLY 135 133 133 GLY GLY AAA . n 
A 1 136 LEU 136 134 134 LEU LEU AAA . n 
A 1 137 ALA 137 135 135 ALA ALA AAA . n 
A 1 138 HIS 138 136 136 HIS HIS AAA . n 
A 1 139 LEU 139 137 137 LEU LEU AAA . n 
A 1 140 MET 140 138 138 MET MET AAA . n 
A 1 141 ALA 141 139 139 ALA ALA AAA . n 
A 1 142 LEU 142 140 140 LEU LEU AAA . n 
A 1 143 GLY 143 141 141 GLY GLY AAA . n 
A 1 144 LEU 144 142 142 LEU LEU AAA . n 
A 1 145 GLY 145 143 143 GLY GLY AAA . n 
A 1 146 PRO 146 144 144 PRO PRO AAA . n 
A 1 147 TRP 147 145 145 TRP TRP AAA . n 
A 1 148 LEU 148 146 146 LEU LEU AAA . n 
A 1 149 ALA 149 147 147 ALA ALA AAA . n 
A 1 150 VAL 150 148 148 VAL VAL AAA . n 
A 1 151 GLU 151 149 149 GLU GLU AAA . n 
A 1 152 ILE 152 150 150 ILE ILE AAA . n 
A 1 153 PRO 153 151 151 PRO PRO AAA . n 
A 1 154 ASP 154 152 152 ASP ASP AAA . n 
A 1 155 LEU 155 153 153 LEU LEU AAA . n 
A 1 156 ILE 156 154 154 ILE ILE AAA . n 
A 1 157 GLN 157 155 155 GLN GLN AAA . n 
A 1 158 LYS 158 156 156 LYS LYS AAA . n 
A 1 159 GLY 159 157 157 GLY GLY AAA . n 
A 1 160 VAL 160 158 158 VAL VAL AAA . n 
A 1 161 ILE 161 159 159 ILE ILE AAA . n 
A 1 162 HIS 162 160 160 HIS HIS AAA . n 
A 1 163 HIS 163 161 161 HIS HIS AAA . n 
A 1 164 LYS 164 162 162 LYS LYS AAA . n 
A 1 165 GLU 165 163 163 GLU GLU AAA . n 
A 1 166 LYS 166 164 164 LYS LYS AAA . n 
A 1 167 CYS 167 165 ?   ?   ?   AAA . n 
A 1 168 ASN 168 166 ?   ?   ?   AAA . n 
A 1 169 GLN 169 167 ?   ?   ?   AAA . n 
# 
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 GOL 1   201 201 GOL GOL AAA . 
C 2 GOL 1   202 202 GOL GOL AAA . 
D 3 HOH 1   301 33  HOH HOH AAA . 
D 3 HOH 2   302 101 HOH HOH AAA . 
D 3 HOH 3   303 65  HOH HOH AAA . 
D 3 HOH 4   304 73  HOH HOH AAA . 
D 3 HOH 5   305 56  HOH HOH AAA . 
D 3 HOH 6   306 43  HOH HOH AAA . 
D 3 HOH 7   307 24  HOH HOH AAA . 
D 3 HOH 8   308 61  HOH HOH AAA . 
D 3 HOH 9   309 49  HOH HOH AAA . 
D 3 HOH 10  310 87  HOH HOH AAA . 
D 3 HOH 11  311 58  HOH HOH AAA . 
D 3 HOH 12  312 136 HOH HOH AAA . 
D 3 HOH 13  313 80  HOH HOH AAA . 
D 3 HOH 14  314 45  HOH HOH AAA . 
D 3 HOH 15  315 106 HOH HOH AAA . 
D 3 HOH 16  316 30  HOH HOH AAA . 
D 3 HOH 17  317 53  HOH HOH AAA . 
D 3 HOH 18  318 64  HOH HOH AAA . 
D 3 HOH 19  319 26  HOH HOH AAA . 
D 3 HOH 20  320 3   HOH HOH AAA . 
D 3 HOH 21  321 84  HOH HOH AAA . 
D 3 HOH 22  322 14  HOH HOH AAA . 
D 3 HOH 23  323 28  HOH HOH AAA . 
D 3 HOH 24  324 13  HOH HOH AAA . 
D 3 HOH 25  325 10  HOH HOH AAA . 
D 3 HOH 26  326 88  HOH HOH AAA . 
D 3 HOH 27  327 19  HOH HOH AAA . 
D 3 HOH 28  328 4   HOH HOH AAA . 
D 3 HOH 29  329 21  HOH HOH AAA . 
D 3 HOH 30  330 22  HOH HOH AAA . 
D 3 HOH 31  331 7   HOH HOH AAA . 
D 3 HOH 32  332 12  HOH HOH AAA . 
D 3 HOH 33  333 47  HOH HOH AAA . 
D 3 HOH 34  334 6   HOH HOH AAA . 
D 3 HOH 35  335 11  HOH HOH AAA . 
D 3 HOH 36  336 51  HOH HOH AAA . 
D 3 HOH 37  337 89  HOH HOH AAA . 
D 3 HOH 38  338 46  HOH HOH AAA . 
D 3 HOH 39  339 34  HOH HOH AAA . 
D 3 HOH 40  340 39  HOH HOH AAA . 
D 3 HOH 41  341 98  HOH HOH AAA . 
D 3 HOH 42  342 17  HOH HOH AAA . 
D 3 HOH 43  343 102 HOH HOH AAA . 
D 3 HOH 44  344 50  HOH HOH AAA . 
D 3 HOH 45  345 63  HOH HOH AAA . 
D 3 HOH 46  346 5   HOH HOH AAA . 
D 3 HOH 47  347 66  HOH HOH AAA . 
D 3 HOH 48  348 99  HOH HOH AAA . 
D 3 HOH 49  349 129 HOH HOH AAA . 
D 3 HOH 50  350 82  HOH HOH AAA . 
D 3 HOH 51  351 9   HOH HOH AAA . 
D 3 HOH 52  352 52  HOH HOH AAA . 
D 3 HOH 53  353 15  HOH HOH AAA . 
D 3 HOH 54  354 23  HOH HOH AAA . 
D 3 HOH 55  355 44  HOH HOH AAA . 
D 3 HOH 56  356 71  HOH HOH AAA . 
D 3 HOH 57  357 135 HOH HOH AAA . 
D 3 HOH 58  358 16  HOH HOH AAA . 
D 3 HOH 59  359 93  HOH HOH AAA . 
D 3 HOH 60  360 27  HOH HOH AAA . 
D 3 HOH 61  361 40  HOH HOH AAA . 
D 3 HOH 62  362 20  HOH HOH AAA . 
D 3 HOH 63  363 75  HOH HOH AAA . 
D 3 HOH 64  364 37  HOH HOH AAA . 
D 3 HOH 65  365 81  HOH HOH AAA . 
D 3 HOH 66  366 86  HOH HOH AAA . 
D 3 HOH 67  367 18  HOH HOH AAA . 
D 3 HOH 68  368 1   HOH HOH AAA . 
D 3 HOH 69  369 36  HOH HOH AAA . 
D 3 HOH 70  370 60  HOH HOH AAA . 
D 3 HOH 71  371 31  HOH HOH AAA . 
D 3 HOH 72  372 57  HOH HOH AAA . 
D 3 HOH 73  373 8   HOH HOH AAA . 
D 3 HOH 74  374 25  HOH HOH AAA . 
D 3 HOH 75  375 92  HOH HOH AAA . 
D 3 HOH 76  376 76  HOH HOH AAA . 
D 3 HOH 77  377 2   HOH HOH AAA . 
D 3 HOH 78  378 35  HOH HOH AAA . 
D 3 HOH 79  379 77  HOH HOH AAA . 
D 3 HOH 80  380 114 HOH HOH AAA . 
D 3 HOH 81  381 67  HOH HOH AAA . 
D 3 HOH 82  382 124 HOH HOH AAA . 
D 3 HOH 83  383 95  HOH HOH AAA . 
D 3 HOH 84  384 70  HOH HOH AAA . 
D 3 HOH 85  385 32  HOH HOH AAA . 
D 3 HOH 86  386 137 HOH HOH AAA . 
D 3 HOH 87  387 48  HOH HOH AAA . 
D 3 HOH 88  388 125 HOH HOH AAA . 
D 3 HOH 89  389 55  HOH HOH AAA . 
D 3 HOH 90  390 38  HOH HOH AAA . 
D 3 HOH 91  391 42  HOH HOH AAA . 
D 3 HOH 92  392 113 HOH HOH AAA . 
D 3 HOH 93  393 59  HOH HOH AAA . 
D 3 HOH 94  394 29  HOH HOH AAA . 
D 3 HOH 95  395 119 HOH HOH AAA . 
D 3 HOH 96  396 62  HOH HOH AAA . 
D 3 HOH 97  397 133 HOH HOH AAA . 
D 3 HOH 98  398 111 HOH HOH AAA . 
D 3 HOH 99  399 140 HOH HOH AAA . 
D 3 HOH 100 400 54  HOH HOH AAA . 
D 3 HOH 101 401 138 HOH HOH AAA . 
D 3 HOH 102 402 116 HOH HOH AAA . 
D 3 HOH 103 403 83  HOH HOH AAA . 
D 3 HOH 104 404 72  HOH HOH AAA . 
D 3 HOH 105 405 68  HOH HOH AAA . 
D 3 HOH 106 406 141 HOH HOH AAA . 
D 3 HOH 107 407 69  HOH HOH AAA . 
D 3 HOH 108 408 139 HOH HOH AAA . 
D 3 HOH 109 409 134 HOH HOH AAA . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0267 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        3 
? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot     ? ? ? 0.9.6    4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9I9M 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     47.163 
_cell.length_a_esd                 ? 
_cell.length_b                     47.163 
_cell.length_b_esd                 ? 
_cell.length_c                     144.632 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9I9M 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                92 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 41 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9I9M 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.32 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          47 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              5.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.1M sodium citrate tribasic dihydrate pH 5.5, 20% w/v 2-propanol, 20% w/v PEG 4000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2025-01-26 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.87313 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE ID30B' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.87313 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID30B 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          20.41 
_reflns.entry_id                                       9I9M 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.543 
_reflns.d_resolution_low                               44.84 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     24971 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.86 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                2.0 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          12.80 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.03874 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.543 
_reflns_shell.d_res_low                                     1.598 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.81 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             2414 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               2.0 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               0.9574 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.525 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          98.65 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -0.067 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.067 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.135 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               21.516 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.962 
_refine.correlation_coeff_Fo_to_Fc_free          0.958 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9I9M 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.543 
_refine.ls_d_res_low                             44.839 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     24971 
_refine.ls_number_reflns_R_free                  1259 
_refine.ls_number_reflns_R_work                  23712 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.868 
_refine.ls_percent_reflns_R_free                 5.042 
_refine.ls_R_factor_all                          0.191 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2088 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1902 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.087 
_refine.pdbx_overall_ESU_R_Free                  0.082 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             1.879 
_refine.overall_SU_ML                            0.065 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.543 
_refine_hist.d_res_low                        44.839 
_refine_hist.number_atoms_solvent             109 
_refine_hist.number_atoms_total               1483 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1362 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         12 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.011  0.013  1424 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.015  1348 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.583  1.649  1930 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.431  1.586  3110 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.564  5.000  166  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 30.570 21.605 81   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 11.500 15.000 246  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 19.497 15.000 11   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.096  0.200  174  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  1584 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  334  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.213  0.200  281  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.190  0.200  1160 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.171  0.200  686  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.080  0.200  579  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.123  0.200  56   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.243  0.200  14   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.182  0.200  51   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.133  0.200  21   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.914  1.904  664  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.914  1.896  663  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.866  2.842  830  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.864  2.852  831  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.454  2.368  760  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.452  2.369  761  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 5.138  3.364  1100 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 5.135  3.366  1101 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.250  23.069 1613 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.177  22.806 1597 ? r_lrange_other                 ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.543 1.583  1810 . 88 1691 98.2873  . 0.373 . . 0.373 . . . . . 0.371 . 20 . 0.650 0.695 0.373 
'X-RAY DIFFRACTION' 1.583 1.626  1769 . 99 1669 99.9435  . 0.320 . . 0.319 . . . . . 0.316 . 20 . 0.801 0.790 0.348 
'X-RAY DIFFRACTION' 1.626 1.673  1707 . 75 1632 100.0000 . 0.271 . . 0.270 . . . . . 0.266 . 20 . 0.859 0.869 0.291 
'X-RAY DIFFRACTION' 1.673 1.725  1639 . 81 1558 100.0000 . 0.238 . . 0.236 . . . . . 0.224 . 20 . 0.903 0.899 0.267 
'X-RAY DIFFRACTION' 1.725 1.781  1606 . 65 1541 100.0000 . 0.205 . . 0.203 . . . . . 0.186 . 20 . 0.925 0.903 0.238 
'X-RAY DIFFRACTION' 1.781 1.844  1589 . 65 1524 100.0000 . 0.198 . . 0.196 . . . . . 0.174 . 20 . 0.931 0.923 0.234 
'X-RAY DIFFRACTION' 1.844 1.913  1507 . 87 1420 100.0000 . 0.196 . . 0.195 . . . . . 0.168 . 20 . 0.938 0.940 0.208 
'X-RAY DIFFRACTION' 1.913 1.991  1471 . 78 1393 100.0000 . 0.178 . . 0.175 . . . . . 0.154 . 20 . 0.951 0.916 0.230 
'X-RAY DIFFRACTION' 1.991 2.079  1410 . 76 1333 99.9291  . 0.175 . . 0.173 . . . . . 0.152 . 20 . 0.959 0.945 0.213 
'X-RAY DIFFRACTION' 2.079 2.181  1336 . 68 1268 100.0000 . 0.174 . . 0.172 . . . . . 0.155 . 20 . 0.961 0.939 0.210 
'X-RAY DIFFRACTION' 2.181 2.298  1299 . 72 1227 100.0000 . 0.163 . . 0.163 . . . . . 0.146 . 20 . 0.967 0.964 0.172 
'X-RAY DIFFRACTION' 2.298 2.437  1222 . 65 1157 100.0000 . 0.169 . . 0.169 . . . . . 0.152 . 20 . 0.968 0.969 0.168 
'X-RAY DIFFRACTION' 2.437 2.605  1155 . 57 1098 100.0000 . 0.177 . . 0.177 . . . . . 0.160 . 20 . 0.959 0.965 0.180 
'X-RAY DIFFRACTION' 2.605 2.813  1085 . 47 1038 100.0000 . 0.178 . . 0.175 . . . . . 0.158 . 20 . 0.957 0.932 0.234 
'X-RAY DIFFRACTION' 2.813 3.080  1006 . 49 957  100.0000 . 0.190 . . 0.189 . . . . . 0.175 . 20 . 0.953 0.949 0.214 
'X-RAY DIFFRACTION' 3.080 3.442  917  . 51 866  100.0000 . 0.176 . . 0.176 . . . . . 0.171 . 20 . 0.964 0.965 0.169 
'X-RAY DIFFRACTION' 3.442 3.970  827  . 54 773  100.0000 . 0.152 . . 0.150 . . . . . 0.154 . 20 . 0.973 0.969 0.172 
'X-RAY DIFFRACTION' 3.970 4.853  714  . 32 682  100.0000 . 0.162 . . 0.162 . . . . . 0.174 . 20 . 0.971 0.977 0.167 
'X-RAY DIFFRACTION' 4.853 6.823  572  . 30 542  100.0000 . 0.238 . . 0.235 . . . . . 0.255 . 20 . 0.962 0.942 0.297 
'X-RAY DIFFRACTION' 6.823 44.839 362  . 20 342  100.0000 . 0.248 . . 0.248 . . . . . 0.274 . 20 . 0.957 0.949 0.249 
# 
_struct.entry_id                     9I9M 
_struct.title                        'Crystal structure of chimeric UFC1, TAK MotiF replaced with HPN motif of other E2 proteins' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        9I9M 
_struct_keywords.text            
'Ubiquitin fold modifier conjugating enzyme-1, UFMylation, Chimeric UFC1, HPN motif, Isopeptide, oxyanion hole, 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 2 ? 
D N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    UFC1_HUMAN 
_struct_ref.pdbx_db_accession          Q9Y3C8 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MADEATRRVVSEIPVLKTNAGPRDRELWVQRLKEEYQSLIRYVENNKNADNDWFRLESNKEGTRWFGKCWYIHDLLKYEF
DIEFDIPITYPTTAPEIAVPELDGKTAKMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPWLAVEIPDLIQKGVIQ
HKEKCNQ
;
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9I9M 
_struct_ref_seq.pdbx_strand_id                AAA 
_struct_ref_seq.seq_align_beg                 3 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 169 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q9Y3C8 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  167 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       167 
# 
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 9I9M GLY AAA 1   ? UNP Q9Y3C8 ?   ?   'expression tag'      -1  1 
1 9I9M SER AAA 2   ? UNP Q9Y3C8 ?   ?   'expression tag'      0   2 
1 9I9M HIS AAA 108 ? UNP Q9Y3C8 THR 106 'engineered mutation' 106 3 
1 9I9M PRO AAA 109 ? UNP Q9Y3C8 ALA 107 'engineered mutation' 107 4 
1 9I9M ASN AAA 110 ? UNP Q9Y3C8 LYS 108 'engineered mutation' 108 5 
1 9I9M HIS AAA 162 ? UNP Q9Y3C8 GLN 160 conflict              160 6 
# 
_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 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 370   ? 
1 MORE         -0    ? 
1 'SSA (A^2)'  10130 ? 
# 
_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 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_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 SER A 2   ? SER A 13  ? SER AAA 0   SER AAA 11  1 ? 12 
HELX_P HELX_P2 AA2 ARG A 27  ? ALA A 51  ? ARG AAA 25  ALA AAA 49  1 ? 25 
HELX_P HELX_P3 AA3 VAL A 101 ? ASP A 105 ? VAL AAA 99  ASP AAA 103 5 ? 5  
HELX_P HELX_P4 AA4 ARG A 113 ? GLY A 115 ? ARG AAA 111 GLY AAA 113 5 ? 3  
HELX_P HELX_P5 AA5 HIS A 122 ? ARG A 129 ? HIS AAA 120 ARG AAA 127 1 ? 8  
HELX_P HELX_P6 AA6 GLY A 135 ? GLY A 143 ? GLY AAA 133 GLY AAA 141 1 ? 9  
HELX_P HELX_P7 AA7 GLY A 143 ? LYS A 158 ? GLY AAA 141 LYS AAA 156 1 ? 16 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 TYR 92  A . ? TYR 90  AAA PRO 93  A ? PRO 91  AAA 1 5.71  
2 VAL 131 A . ? VAL 129 AAA PRO 132 A ? PRO 130 AAA 1 -5.62 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 3 ? 
AA2 ? 2 ? 
# 
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 
AA2 1 2 ? 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 PHE A 56  ? SER A 60  ? PHE AAA 54  SER AAA 58  
AA1 2 ARG A 66  ? HIS A 75  ? ARG AAA 64  HIS AAA 73  
AA1 3 LEU A 78  ? ASP A 87  ? LEU AAA 76  ASP AAA 85  
AA2 1 MET A 111 ? TYR A 112 ? MET AAA 109 TYR AAA 110 
AA2 2 LYS A 116 ? ILE A 117 ? LYS AAA 114 ILE AAA 115 
# 
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 GLU A 59  ? N GLU AAA 57  O PHE A 68  ? O PHE AAA 66  
AA1 2 3 N TYR A 73  ? N TYR AAA 71  O TYR A 80  ? O TYR AAA 78  
AA2 1 2 N TYR A 112 ? N TYR AAA 110 O LYS A 116 ? O LYS AAA 114 
# 
_pdbx_entry_details.entry_id                   9I9M 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 GLU AAA 12  ? ? 83.19   5.28    
2 1 LYS AAA 17  ? ? -123.53 -50.73  
3 1 ARG AAA 25  ? ? 60.50   -127.32 
4 1 LYS AAA 105 ? ? 30.50   62.82   
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    AAA 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     341 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   D 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
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 AAA GLY -1  ? A GLY 1   
2 1 Y 1 AAA CYS 165 ? A CYS 167 
3 1 Y 1 AAA ASN 166 ? A ASN 168 
4 1 Y 1 AAA GLN 167 ? A GLN 169 
# 
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  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
GOL C1   C N N 137 
GOL O1   O N N 138 
GOL C2   C N N 139 
GOL O2   O N N 140 
GOL C3   C N N 141 
GOL O3   O N N 142 
GOL H11  H N N 143 
GOL H12  H N N 144 
GOL HO1  H N N 145 
GOL H2   H N N 146 
GOL HO2  H N N 147 
GOL H31  H N N 148 
GOL H32  H N N 149 
GOL HO3  H N N 150 
HIS N    N N N 151 
HIS CA   C N S 152 
HIS C    C N N 153 
HIS O    O N N 154 
HIS CB   C N N 155 
HIS CG   C Y N 156 
HIS ND1  N Y N 157 
HIS CD2  C Y N 158 
HIS CE1  C Y N 159 
HIS NE2  N Y N 160 
HIS OXT  O N N 161 
HIS H    H N N 162 
HIS H2   H N N 163 
HIS HA   H N N 164 
HIS HB2  H N N 165 
HIS HB3  H N N 166 
HIS HD1  H N N 167 
HIS HD2  H N N 168 
HIS HE1  H N N 169 
HIS HE2  H N N 170 
HIS HXT  H N N 171 
HOH O    O N N 172 
HOH H1   H N N 173 
HOH H2   H N N 174 
ILE N    N N N 175 
ILE CA   C N S 176 
ILE C    C N N 177 
ILE O    O N N 178 
ILE CB   C N S 179 
ILE CG1  C N N 180 
ILE CG2  C N N 181 
ILE CD1  C N N 182 
ILE OXT  O N N 183 
ILE H    H N N 184 
ILE H2   H N N 185 
ILE HA   H N N 186 
ILE HB   H N N 187 
ILE HG12 H N N 188 
ILE HG13 H N N 189 
ILE HG21 H N N 190 
ILE HG22 H N N 191 
ILE HG23 H N N 192 
ILE HD11 H N N 193 
ILE HD12 H N N 194 
ILE HD13 H N N 195 
ILE HXT  H N N 196 
LEU N    N N N 197 
LEU CA   C N S 198 
LEU C    C N N 199 
LEU O    O N N 200 
LEU CB   C N N 201 
LEU CG   C N N 202 
LEU CD1  C N N 203 
LEU CD2  C N N 204 
LEU OXT  O N N 205 
LEU H    H N N 206 
LEU H2   H N N 207 
LEU HA   H N N 208 
LEU HB2  H N N 209 
LEU HB3  H N N 210 
LEU HG   H N N 211 
LEU HD11 H N N 212 
LEU HD12 H N N 213 
LEU HD13 H N N 214 
LEU HD21 H N N 215 
LEU HD22 H N N 216 
LEU HD23 H N N 217 
LEU HXT  H N N 218 
LYS N    N N N 219 
LYS CA   C N S 220 
LYS C    C N N 221 
LYS O    O N N 222 
LYS CB   C N N 223 
LYS CG   C N N 224 
LYS CD   C N N 225 
LYS CE   C N N 226 
LYS NZ   N N N 227 
LYS OXT  O N N 228 
LYS H    H N N 229 
LYS H2   H N N 230 
LYS HA   H N N 231 
LYS HB2  H N N 232 
LYS HB3  H N N 233 
LYS HG2  H N N 234 
LYS HG3  H N N 235 
LYS HD2  H N N 236 
LYS HD3  H N N 237 
LYS HE2  H N N 238 
LYS HE3  H N N 239 
LYS HZ1  H N N 240 
LYS HZ2  H N N 241 
LYS HZ3  H N N 242 
LYS HXT  H N N 243 
MET N    N N N 244 
MET CA   C N S 245 
MET C    C N N 246 
MET O    O N N 247 
MET CB   C N N 248 
MET CG   C N N 249 
MET SD   S N N 250 
MET CE   C N N 251 
MET OXT  O N N 252 
MET H    H N N 253 
MET H2   H N N 254 
MET HA   H N N 255 
MET HB2  H N N 256 
MET HB3  H N N 257 
MET HG2  H N N 258 
MET HG3  H N N 259 
MET HE1  H N N 260 
MET HE2  H N N 261 
MET HE3  H N N 262 
MET HXT  H N N 263 
PHE N    N N N 264 
PHE CA   C N S 265 
PHE C    C N N 266 
PHE O    O N N 267 
PHE CB   C N N 268 
PHE CG   C Y N 269 
PHE CD1  C Y N 270 
PHE CD2  C Y N 271 
PHE CE1  C Y N 272 
PHE CE2  C Y N 273 
PHE CZ   C Y N 274 
PHE OXT  O N N 275 
PHE H    H N N 276 
PHE H2   H N N 277 
PHE HA   H N N 278 
PHE HB2  H N N 279 
PHE HB3  H N N 280 
PHE HD1  H N N 281 
PHE HD2  H N N 282 
PHE HE1  H N N 283 
PHE HE2  H N N 284 
PHE HZ   H N N 285 
PHE HXT  H N N 286 
PRO N    N N N 287 
PRO CA   C N S 288 
PRO C    C N N 289 
PRO O    O N N 290 
PRO CB   C N N 291 
PRO CG   C N N 292 
PRO CD   C N N 293 
PRO OXT  O N N 294 
PRO H    H N N 295 
PRO HA   H N N 296 
PRO HB2  H N N 297 
PRO HB3  H N N 298 
PRO HG2  H N N 299 
PRO HG3  H N N 300 
PRO HD2  H N N 301 
PRO HD3  H N N 302 
PRO HXT  H N N 303 
SER N    N N N 304 
SER CA   C N S 305 
SER C    C N N 306 
SER O    O N N 307 
SER CB   C N N 308 
SER OG   O N N 309 
SER OXT  O N N 310 
SER H    H N N 311 
SER H2   H N N 312 
SER HA   H N N 313 
SER HB2  H N N 314 
SER HB3  H N N 315 
SER HG   H N N 316 
SER HXT  H N N 317 
THR N    N N N 318 
THR CA   C N S 319 
THR C    C N N 320 
THR O    O N N 321 
THR CB   C N R 322 
THR OG1  O N N 323 
THR CG2  C N N 324 
THR OXT  O N N 325 
THR H    H N N 326 
THR H2   H N N 327 
THR HA   H N N 328 
THR HB   H N N 329 
THR HG1  H N N 330 
THR HG21 H N N 331 
THR HG22 H N N 332 
THR HG23 H N N 333 
THR HXT  H N N 334 
TRP N    N N N 335 
TRP CA   C N S 336 
TRP C    C N N 337 
TRP O    O N N 338 
TRP CB   C N N 339 
TRP CG   C Y N 340 
TRP CD1  C Y N 341 
TRP CD2  C Y N 342 
TRP NE1  N Y N 343 
TRP CE2  C Y N 344 
TRP CE3  C Y N 345 
TRP CZ2  C Y N 346 
TRP CZ3  C Y N 347 
TRP CH2  C Y N 348 
TRP OXT  O N N 349 
TRP H    H N N 350 
TRP H2   H N N 351 
TRP HA   H N N 352 
TRP HB2  H N N 353 
TRP HB3  H N N 354 
TRP HD1  H N N 355 
TRP HE1  H N N 356 
TRP HE3  H N N 357 
TRP HZ2  H N N 358 
TRP HZ3  H N N 359 
TRP HH2  H N N 360 
TRP HXT  H N N 361 
TYR N    N N N 362 
TYR CA   C N S 363 
TYR C    C N N 364 
TYR O    O N N 365 
TYR CB   C N N 366 
TYR CG   C Y N 367 
TYR CD1  C Y N 368 
TYR CD2  C Y N 369 
TYR CE1  C Y N 370 
TYR CE2  C Y N 371 
TYR CZ   C Y N 372 
TYR OH   O N N 373 
TYR OXT  O N N 374 
TYR H    H N N 375 
TYR H2   H N N 376 
TYR HA   H N N 377 
TYR HB2  H N N 378 
TYR HB3  H N N 379 
TYR HD1  H N N 380 
TYR HD2  H N N 381 
TYR HE1  H N N 382 
TYR HE2  H N N 383 
TYR HH   H N N 384 
TYR HXT  H N N 385 
VAL N    N N N 386 
VAL CA   C N S 387 
VAL C    C N N 388 
VAL O    O N N 389 
VAL CB   C N N 390 
VAL CG1  C N N 391 
VAL CG2  C N N 392 
VAL OXT  O N N 393 
VAL H    H N N 394 
VAL H2   H N N 395 
VAL HA   H N N 396 
VAL HB   H N N 397 
VAL HG11 H N N 398 
VAL HG12 H N N 399 
VAL HG13 H N N 400 
VAL HG21 H N N 401 
VAL HG22 H N N 402 
VAL HG23 H N N 403 
VAL HXT  H N N 404 
# 
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  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
GOL C1  O1   sing N N 129 
GOL C1  C2   sing N N 130 
GOL C1  H11  sing N N 131 
GOL C1  H12  sing N N 132 
GOL O1  HO1  sing N N 133 
GOL C2  O2   sing N N 134 
GOL C2  C3   sing N N 135 
GOL C2  H2   sing N N 136 
GOL O2  HO2  sing N N 137 
GOL C3  O3   sing N N 138 
GOL C3  H31  sing N N 139 
GOL C3  H32  sing N N 140 
GOL O3  HO3  sing N N 141 
HIS N   CA   sing N N 142 
HIS N   H    sing N N 143 
HIS N   H2   sing N N 144 
HIS CA  C    sing N N 145 
HIS CA  CB   sing N N 146 
HIS CA  HA   sing N N 147 
HIS C   O    doub N N 148 
HIS C   OXT  sing N N 149 
HIS CB  CG   sing N N 150 
HIS CB  HB2  sing N N 151 
HIS CB  HB3  sing N N 152 
HIS CG  ND1  sing Y N 153 
HIS CG  CD2  doub Y N 154 
HIS ND1 CE1  doub Y N 155 
HIS ND1 HD1  sing N N 156 
HIS CD2 NE2  sing Y N 157 
HIS CD2 HD2  sing N N 158 
HIS CE1 NE2  sing Y N 159 
HIS CE1 HE1  sing N N 160 
HIS NE2 HE2  sing N N 161 
HIS OXT HXT  sing N N 162 
HOH O   H1   sing N N 163 
HOH O   H2   sing N N 164 
ILE N   CA   sing N N 165 
ILE N   H    sing N N 166 
ILE N   H2   sing N N 167 
ILE CA  C    sing N N 168 
ILE CA  CB   sing N N 169 
ILE CA  HA   sing N N 170 
ILE C   O    doub N N 171 
ILE C   OXT  sing N N 172 
ILE CB  CG1  sing N N 173 
ILE CB  CG2  sing N N 174 
ILE CB  HB   sing N N 175 
ILE CG1 CD1  sing N N 176 
ILE CG1 HG12 sing N N 177 
ILE CG1 HG13 sing N N 178 
ILE CG2 HG21 sing N N 179 
ILE CG2 HG22 sing N N 180 
ILE CG2 HG23 sing N N 181 
ILE CD1 HD11 sing N N 182 
ILE CD1 HD12 sing N N 183 
ILE CD1 HD13 sing N N 184 
ILE OXT HXT  sing N N 185 
LEU N   CA   sing N N 186 
LEU N   H    sing N N 187 
LEU N   H2   sing N N 188 
LEU CA  C    sing N N 189 
LEU CA  CB   sing N N 190 
LEU CA  HA   sing N N 191 
LEU C   O    doub N N 192 
LEU C   OXT  sing N N 193 
LEU CB  CG   sing N N 194 
LEU CB  HB2  sing N N 195 
LEU CB  HB3  sing N N 196 
LEU CG  CD1  sing N N 197 
LEU CG  CD2  sing N N 198 
LEU CG  HG   sing N N 199 
LEU CD1 HD11 sing N N 200 
LEU CD1 HD12 sing N N 201 
LEU CD1 HD13 sing N N 202 
LEU CD2 HD21 sing N N 203 
LEU CD2 HD22 sing N N 204 
LEU CD2 HD23 sing N N 205 
LEU OXT HXT  sing N N 206 
LYS N   CA   sing N N 207 
LYS N   H    sing N N 208 
LYS N   H2   sing N N 209 
LYS CA  C    sing N N 210 
LYS CA  CB   sing N N 211 
LYS CA  HA   sing N N 212 
LYS C   O    doub N N 213 
LYS C   OXT  sing N N 214 
LYS CB  CG   sing N N 215 
LYS CB  HB2  sing N N 216 
LYS CB  HB3  sing N N 217 
LYS CG  CD   sing N N 218 
LYS CG  HG2  sing N N 219 
LYS CG  HG3  sing N N 220 
LYS CD  CE   sing N N 221 
LYS CD  HD2  sing N N 222 
LYS CD  HD3  sing N N 223 
LYS CE  NZ   sing N N 224 
LYS CE  HE2  sing N N 225 
LYS CE  HE3  sing N N 226 
LYS NZ  HZ1  sing N N 227 
LYS NZ  HZ2  sing N N 228 
LYS NZ  HZ3  sing N N 229 
LYS OXT HXT  sing N N 230 
MET N   CA   sing N N 231 
MET N   H    sing N N 232 
MET N   H2   sing N N 233 
MET CA  C    sing N N 234 
MET CA  CB   sing N N 235 
MET CA  HA   sing N N 236 
MET C   O    doub N N 237 
MET C   OXT  sing N N 238 
MET CB  CG   sing N N 239 
MET CB  HB2  sing N N 240 
MET CB  HB3  sing N N 241 
MET CG  SD   sing N N 242 
MET CG  HG2  sing N N 243 
MET CG  HG3  sing N N 244 
MET SD  CE   sing N N 245 
MET CE  HE1  sing N N 246 
MET CE  HE2  sing N N 247 
MET CE  HE3  sing N N 248 
MET OXT HXT  sing N N 249 
PHE N   CA   sing N N 250 
PHE N   H    sing N N 251 
PHE N   H2   sing N N 252 
PHE CA  C    sing N N 253 
PHE CA  CB   sing N N 254 
PHE CA  HA   sing N N 255 
PHE C   O    doub N N 256 
PHE C   OXT  sing N N 257 
PHE CB  CG   sing N N 258 
PHE CB  HB2  sing N N 259 
PHE CB  HB3  sing N N 260 
PHE CG  CD1  doub Y N 261 
PHE CG  CD2  sing Y N 262 
PHE CD1 CE1  sing Y N 263 
PHE CD1 HD1  sing N N 264 
PHE CD2 CE2  doub Y N 265 
PHE CD2 HD2  sing N N 266 
PHE CE1 CZ   doub Y N 267 
PHE CE1 HE1  sing N N 268 
PHE CE2 CZ   sing Y N 269 
PHE CE2 HE2  sing N N 270 
PHE CZ  HZ   sing N N 271 
PHE OXT HXT  sing N N 272 
PRO N   CA   sing N N 273 
PRO N   CD   sing N N 274 
PRO N   H    sing N N 275 
PRO CA  C    sing N N 276 
PRO CA  CB   sing N N 277 
PRO CA  HA   sing N N 278 
PRO C   O    doub N N 279 
PRO C   OXT  sing N N 280 
PRO CB  CG   sing N N 281 
PRO CB  HB2  sing N N 282 
PRO CB  HB3  sing N N 283 
PRO CG  CD   sing N N 284 
PRO CG  HG2  sing N N 285 
PRO CG  HG3  sing N N 286 
PRO CD  HD2  sing N N 287 
PRO CD  HD3  sing N N 288 
PRO OXT HXT  sing N N 289 
SER N   CA   sing N N 290 
SER N   H    sing N N 291 
SER N   H2   sing N N 292 
SER CA  C    sing N N 293 
SER CA  CB   sing N N 294 
SER CA  HA   sing N N 295 
SER C   O    doub N N 296 
SER C   OXT  sing N N 297 
SER CB  OG   sing N N 298 
SER CB  HB2  sing N N 299 
SER CB  HB3  sing N N 300 
SER OG  HG   sing N N 301 
SER OXT HXT  sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
VAL N   CA   sing N N 371 
VAL N   H    sing N N 372 
VAL N   H2   sing N N 373 
VAL CA  C    sing N N 374 
VAL CA  CB   sing N N 375 
VAL CA  HA   sing N N 376 
VAL C   O    doub N N 377 
VAL C   OXT  sing N N 378 
VAL CB  CG1  sing N N 379 
VAL CB  CG2  sing N N 380 
VAL CB  HB   sing N N 381 
VAL CG1 HG11 sing N N 382 
VAL CG1 HG12 sing N N 383 
VAL CG1 HG13 sing N N 384 
VAL CG2 HG21 sing N N 385 
VAL CG2 HG22 sing N N 386 
VAL CG2 HG23 sing N N 387 
VAL OXT HXT  sing N N 388 
# 
_pdbx_audit_support.funding_organization   'Israel Science Foundation' 
_pdbx_audit_support.country                Israel 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_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   2Z6O 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9I9M 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.021203 
_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]   0.021203 
_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]   0.006914 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
H 1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N 7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O 8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S 16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.018   
# 
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_site.calc_flag 
ATOM   1    N N   . SER A 1 2   ? 22.927  24.071 6.036  1.000 40.184 0 0   SER AAA N   1 ? 
ATOM   2    C CA  . SER A 1 2   ? 21.799  25.003 6.277  1.000 32.664 0 0   SER AAA CA  1 ? 
ATOM   3    C C   . SER A 1 2   ? 21.393  25.032 7.759  1.000 25.900 0 0   SER AAA C   1 ? 
ATOM   4    O O   . SER A 1 2   ? 21.536  24.035 8.524  1.000 25.190 0 0   SER AAA O   1 ? 
ATOM   5    C CB  . SER A 1 2   ? 20.609  24.676 5.424  1.000 32.529 0 0   SER AAA CB  1 ? 
ATOM   6    O OG  . SER A 1 2   ? 19.685  23.834 6.083  1.000 31.443 0 0   SER AAA OG  1 ? 
ATOM   7    N N   . MET A 1 3   ? 20.887  26.179 8.189  1.000 23.963 0 1   MET AAA N   1 ? 
ATOM   8    C CA  . MET A 1 3   ? 20.299  26.324 9.546  1.000 21.006 0 1   MET AAA CA  1 ? 
ATOM   9    C C   . MET A 1 3   ? 19.167  25.318 9.736  1.000 19.662 0 1   MET AAA C   1 ? 
ATOM   10   O O   . MET A 1 3   ? 19.064  24.758 10.830 1.000 18.812 0 1   MET AAA O   1 ? 
ATOM   11   C CB  . MET A 1 3   ? 19.747  27.746 9.759  1.000 21.162 0 1   MET AAA CB  1 ? 
ATOM   12   C CG  . MET A 1 3   ? 20.765  28.641 10.345 1.000 22.675 0 1   MET AAA CG  1 ? 
ATOM   13   S SD  . MET A 1 3   ? 20.001  30.210 10.868 1.000 20.355 0 1   MET AAA SD  1 ? 
ATOM   14   C CE  . MET A 1 3   ? 19.563  29.903 12.561 1.000 18.718 0 1   MET AAA CE  1 ? 
ATOM   15   N N   . ALA A 1 4   ? 18.309  25.159 8.734  1.000 20.281 0 2   ALA AAA N   1 ? 
ATOM   16   C CA  . ALA A 1 4   ? 17.135  24.266 8.784  1.000 20.178 0 2   ALA AAA CA  1 ? 
ATOM   17   C C   . ALA A 1 4   ? 17.626  22.831 8.999  1.000 19.191 0 2   ALA AAA C   1 ? 
ATOM   18   O O   . ALA A 1 4   ? 17.056  22.133 9.825  1.000 18.301 0 2   ALA AAA O   1 ? 
ATOM   19   C CB  . ALA A 1 4   ? 16.290  24.402 7.544  1.000 21.752 0 2   ALA AAA CB  1 ? 
ATOM   20   N N   . ASP A 1 5   ? 18.666  22.410 8.277  1.000 19.799 0 3   ASP AAA N   1 ? 
ATOM   21   C CA  . ASP A 1 5   ? 19.191  21.020 8.395  1.000 18.364 0 3   ASP AAA CA  1 ? 
ATOM   22   C C   . ASP A 1 5   ? 19.698  20.799 9.812  1.000 16.106 0 3   ASP AAA C   1 ? 
ATOM   23   O O   . ASP A 1 5   ? 19.388  19.752 10.383 1.000 16.805 0 3   ASP AAA O   1 ? 
ATOM   24   C CB  . ASP A 1 5   ? 20.319  20.767 7.403  1.000 22.089 0 3   ASP AAA CB  1 ? 
ATOM   25   C CG  . ASP A 1 5   ? 19.852  20.658 5.970  1.000 27.544 0 3   ASP AAA CG  1 ? 
ATOM   26   O OD1 . ASP A 1 5   ? 18.659  20.547 5.739  1.000 27.182 0 3   ASP AAA OD1 1 ? 
ATOM   27   O OD2 . ASP A 1 5   ? 20.713  20.753 5.116  1.000 33.703 0 3   ASP AAA OD2 1 ? 
ATOM   28   N N   . GLU A 1 6   ? 20.491  21.734 10.339 1.000 16.885 0 4   GLU AAA N   1 ? 
ATOM   29   C CA  . GLU A 1 6   ? 21.051  21.591 11.695 1.000 17.139 0 4   GLU AAA CA  1 ? 
ATOM   30   C C   . GLU A 1 6   ? 19.918  21.585 12.734 1.000 16.152 0 4   GLU AAA C   1 ? 
ATOM   31   O O   . GLU A 1 6   ? 19.977  20.790 13.693 1.000 16.323 0 4   GLU AAA O   1 ? 
ATOM   32   C CB  . GLU A 1 6   ? 22.139  22.632 11.980 1.000 18.807 0 4   GLU AAA CB  1 ? 
ATOM   33   C CG  . GLU A 1 6   ? 22.796  22.437 13.340 1.000 21.717 0 4   GLU AAA CG  1 ? 
ATOM   34   C CD  . GLU A 1 6   ? 23.599  21.146 13.510 1.000 25.135 0 4   GLU AAA CD  1 ? 
ATOM   35   O OE1 . GLU A 1 6   ? 23.860  20.453 12.477 1.000 29.461 0 4   GLU AAA OE1 1 ? 
ATOM   36   O OE2 . GLU A 1 6   ? 23.866  20.787 14.646 1.000 25.094 0 4   GLU AAA OE2 1 ? 
ATOM   37   N N   . ALA A 1 7   ? 18.946  22.489 12.633 1.000 15.709 0 5   ALA AAA N   1 ? 
ATOM   38   C CA  . ALA A 1 7   ? 17.852  22.551 13.619 1.000 15.265 0 5   ALA AAA CA  1 ? 
ATOM   39   C C   . ALA A 1 7   ? 17.075  21.228 13.597 1.000 15.106 0 5   ALA AAA C   1 ? 
ATOM   40   O O   . ALA A 1 7   ? 16.682  20.716 14.660 1.000 15.308 0 5   ALA AAA O   1 ? 
ATOM   41   C CB  . ALA A 1 7   ? 16.942  23.720 13.306 1.000 16.066 0 5   ALA AAA CB  1 ? 
ATOM   42   N N   . THR A 1 8   ? 16.820  20.671 12.419 1.000 15.223 0 6   THR AAA N   1 ? 
ATOM   43   C CA  . THR A 1 8   ? 16.134  19.357 12.332 1.000 15.764 0 6   THR AAA CA  1 ? 
ATOM   44   C C   . THR A 1 8   ? 16.982  18.302 13.036 1.000 16.148 0 6   THR AAA C   1 ? 
ATOM   45   O O   . THR A 1 8   ? 16.440  17.578 13.908 1.000 16.556 0 6   THR AAA O   1 ? 
ATOM   46   C CB  . THR A 1 8   ? 15.883  18.970 10.874 1.000 16.212 0 6   THR AAA CB  1 ? 
ATOM   47   O OG1 . THR A 1 8   ? 15.076  20.001 10.310 1.000 18.135 0 6   THR AAA OG1 1 ? 
ATOM   48   C CG2 . THR A 1 8   ? 15.180  17.632 10.750 1.000 19.295 0 6   THR AAA CG2 1 ? 
ATOM   49   N N   A ARG A 1 9   ? 18.277  18.241 12.693 0.500 16.096 0 7   ARG AAA N   1 ? 
ATOM   50   N N   B ARG A 1 9   ? 18.274  18.221 12.698 0.500 15.071 0 7   ARG AAA N   1 ? 
ATOM   51   C CA  A ARG A 1 9   ? 19.213  17.240 13.273 0.500 17.530 0 7   ARG AAA CA  1 ? 
ATOM   52   C CA  B ARG A 1 9   ? 19.160  17.189 13.300 0.500 15.773 0 7   ARG AAA CA  1 ? 
ATOM   53   C C   A ARG A 1 9   ? 19.198  17.349 14.808 0.500 15.771 0 7   ARG AAA C   1 ? 
ATOM   54   C C   B ARG A 1 9   ? 19.167  17.339 14.830 0.500 14.610 0 7   ARG AAA C   1 ? 
ATOM   55   O O   A ARG A 1 9   ? 19.186  16.308 15.485 0.500 15.938 0 7   ARG AAA O   1 ? 
ATOM   56   O O   B ARG A 1 9   ? 19.140  16.314 15.531 0.500 14.426 0 7   ARG AAA O   1 ? 
ATOM   57   C CB  A ARG A 1 9   ? 20.626  17.432 12.715 0.500 19.801 0 7   ARG AAA CB  1 ? 
ATOM   58   C CB  B ARG A 1 9   ? 20.577  17.283 12.735 0.500 16.754 0 7   ARG AAA CB  1 ? 
ATOM   59   C CG  A ARG A 1 9   ? 21.592  16.312 13.074 0.500 23.033 0 7   ARG AAA CG  1 ? 
ATOM   60   C CG  B ARG A 1 9   ? 20.705  16.844 11.286 0.500 18.184 0 7   ARG AAA CG  1 ? 
ATOM   61   C CD  A ARG A 1 9   ? 23.061  16.644 12.853 0.500 24.682 0 7   ARG AAA CD  1 ? 
ATOM   62   C CD  B ARG A 1 9   ? 22.159  16.956 10.853 0.500 20.661 0 7   ARG AAA CD  1 ? 
ATOM   63   N NE  A ARG A 1 9   ? 23.539  17.607 13.837 0.500 26.226 0 7   ARG AAA NE  1 ? 
ATOM   64   N NE  B ARG A 1 9   ? 22.354  17.308 9.456  0.500 25.685 0 7   ARG AAA NE  1 ? 
ATOM   65   C CZ  A ARG A 1 9   ? 23.611  17.382 15.141 0.500 29.809 0 7   ARG AAA CZ  1 ? 
ATOM   66   C CZ  B ARG A 1 9   ? 22.888  18.437 9.014  0.500 23.480 0 7   ARG AAA CZ  1 ? 
ATOM   67   N NH1 A ARG A 1 9   ? 23.262  16.209 15.640 0.500 31.393 0 7   ARG AAA NH1 1 ? 
ATOM   68   N NH1 B ARG A 1 9   ? 23.277  19.398 9.839  0.500 23.795 0 7   ARG AAA NH1 1 ? 
ATOM   69   N NH2 A ARG A 1 9   ? 24.023  18.332 15.951 0.500 31.674 0 7   ARG AAA NH2 1 ? 
ATOM   70   N NH2 B ARG A 1 9   ? 23.053  18.597 7.721  0.500 27.637 0 7   ARG AAA NH2 1 ? 
ATOM   71   N N   . ARG A 1 10  ? 19.212  18.575 15.343 1.000 14.794 0 8   ARG AAA N   1 ? 
ATOM   72   C CA  . ARG A 1 10  ? 19.285  18.781 16.796 1.000 15.968 0 8   ARG AAA CA  1 ? 
ATOM   73   C C   . ARG A 1 10  ? 18.042  18.206 17.452 1.000 16.592 0 8   ARG AAA C   1 ? 
ATOM   74   O O   . ARG A 1 10  ? 18.167  17.559 18.504 1.000 16.765 0 8   ARG AAA O   1 ? 
ATOM   75   C CB  . ARG A 1 10  ? 19.458  20.261 17.120 1.000 16.692 0 8   ARG AAA CB  1 ? 
ATOM   76   C CG  . ARG A 1 10  ? 20.851  20.767 16.757 1.000 19.066 0 8   ARG AAA CG  1 ? 
ATOM   77   C CD  . ARG A 1 10  ? 21.897  20.637 17.841 1.000 20.231 0 8   ARG AAA CD  1 ? 
ATOM   78   N NE  . ARG A 1 10  ? 23.183  21.126 17.324 1.000 20.770 0 8   ARG AAA NE  1 ? 
ATOM   79   C CZ  . ARG A 1 10  ? 24.301  21.346 18.030 1.000 24.017 0 8   ARG AAA CZ  1 ? 
ATOM   80   N NH1 . ARG A 1 10  ? 24.344  21.062 19.312 1.000 22.621 0 8   ARG AAA NH1 1 ? 
ATOM   81   N NH2 . ARG A 1 10  ? 25.380  21.821 17.415 1.000 25.940 0 8   ARG AAA NH2 1 ? 
ATOM   82   N N   . VAL A 1 11  ? 16.889  18.403 16.834 1.000 15.673 0 9   VAL AAA N   1 ? 
ATOM   83   C CA  . VAL A 1 11  ? 15.616  18.026 17.482 1.000 16.591 0 9   VAL AAA CA  1 ? 
ATOM   84   C C   . VAL A 1 11  ? 15.418  16.503 17.379 1.000 17.702 0 9   VAL AAA C   1 ? 
ATOM   85   O O   . VAL A 1 11  ? 14.921  15.911 18.341 1.000 21.088 0 9   VAL AAA O   1 ? 
ATOM   86   C CB  . VAL A 1 11  ? 14.467  18.844 16.883 1.000 17.596 0 9   VAL AAA CB  1 ? 
ATOM   87   C CG1 . VAL A 1 11  ? 13.115  18.289 17.314 1.000 19.148 0 9   VAL AAA CG1 1 ? 
ATOM   88   C CG2 . VAL A 1 11  ? 14.588  20.308 17.241 1.000 18.555 0 9   VAL AAA CG2 1 ? 
ATOM   89   N N   . VAL A 1 12  ? 15.786  15.857 16.268 1.000 17.073 0 10  VAL AAA N   1 ? 
ATOM   90   C CA  . VAL A 1 12  ? 15.423  14.429 16.044 1.000 18.141 0 10  VAL AAA CA  1 ? 
ATOM   91   C C   . VAL A 1 12  ? 16.620  13.530 16.284 1.000 20.044 0 10  VAL AAA C   1 ? 
ATOM   92   O O   . VAL A 1 12  ? 16.468  12.321 16.109 1.000 17.208 0 10  VAL AAA O   1 ? 
ATOM   93   C CB  . VAL A 1 12  ? 14.793  14.221 14.659 1.000 21.479 0 10  VAL AAA CB  1 ? 
ATOM   94   C CG1 . VAL A 1 12  ? 13.629  15.172 14.502 1.000 26.117 0 10  VAL AAA CG1 1 ? 
ATOM   95   C CG2 . VAL A 1 12  ? 15.790  14.350 13.533 1.000 21.902 0 10  VAL AAA CG2 1 ? 
ATOM   96   N N   . SER A 1 13  ? 17.688  14.124 16.811 1.000 23.912 0 11  SER AAA N   1 ? 
ATOM   97   C CA  . SER A 1 13  ? 18.827  13.425 17.425 1.000 26.590 0 11  SER AAA CA  1 ? 
ATOM   98   C C   . SER A 1 13  ? 18.253  12.430 18.425 1.000 25.344 0 11  SER AAA C   1 ? 
ATOM   99   O O   . SER A 1 13  ? 17.396  12.824 19.329 1.000 27.660 0 11  SER AAA O   1 ? 
ATOM   100  C CB  . SER A 1 13  ? 19.823  14.372 18.054 1.000 30.654 0 11  SER AAA CB  1 ? 
ATOM   101  O OG  . SER A 1 13  ? 20.939  13.662 18.561 1.000 31.116 0 11  SER AAA OG  1 ? 
ATOM   102  N N   . GLU A 1 14  ? 18.667  11.193 18.237 1.000 21.393 0 12  GLU AAA N   1 ? 
ATOM   103  C CA  . GLU A 1 14  ? 18.508  10.109 19.204 1.000 21.722 0 12  GLU AAA CA  1 ? 
ATOM   104  C C   . GLU A 1 14  ? 17.109  9.497  19.072 1.000 17.062 0 12  GLU AAA C   1 ? 
ATOM   105  O O   . GLU A 1 14  ? 16.821  8.621  19.884 1.000 16.734 0 12  GLU AAA O   1 ? 
ATOM   106  C CB  . GLU A 1 14  ? 18.710  10.620 20.635 1.000 27.134 0 12  GLU AAA CB  1 ? 
ATOM   107  C CG  . GLU A 1 14  ? 20.089  11.208 20.866 1.000 34.318 0 12  GLU AAA CG  1 ? 
ATOM   108  C CD  . GLU A 1 14  ? 20.242  11.807 22.257 1.000 42.785 0 12  GLU AAA CD  1 ? 
ATOM   109  O OE1 . GLU A 1 14  ? 19.632  12.898 22.531 1.000 48.577 0 12  GLU AAA OE1 1 ? 
ATOM   110  O OE2 . GLU A 1 14  ? 20.952  11.174 23.063 1.000 47.602 0 12  GLU AAA OE2 1 ? 
ATOM   111  N N   . ILE A 1 15  ? 16.309  9.917  18.092 1.000 15.817 0 13  ILE AAA N   1 ? 
ATOM   112  C CA  . ILE A 1 15  ? 14.994  9.276  17.765 1.000 15.283 0 13  ILE AAA CA  1 ? 
ATOM   113  C C   . ILE A 1 15  ? 15.282  8.229  16.695 1.000 15.007 0 13  ILE AAA C   1 ? 
ATOM   114  O O   . ILE A 1 15  ? 15.844  8.531  15.651 1.000 15.497 0 13  ILE AAA O   1 ? 
ATOM   115  C CB  . ILE A 1 15  ? 13.907  10.265 17.305 1.000 16.007 0 13  ILE AAA CB  1 ? 
ATOM   116  C CG1 . ILE A 1 15  ? 13.624  11.359 18.361 1.000 16.379 0 13  ILE AAA CG1 1 ? 
ATOM   117  C CG2 . ILE A 1 15  ? 12.651  9.490  16.915 1.000 16.529 0 13  ILE AAA CG2 1 ? 
ATOM   118  C CD1 . ILE A 1 15  ? 12.580  12.390 17.963 1.000 17.962 0 13  ILE AAA CD1 1 ? 
ATOM   119  N N   . PRO A 1 16  ? 14.995  6.948  16.922 1.000 14.049 0 14  PRO AAA N   1 ? 
ATOM   120  C CA  . PRO A 1 16  ? 15.226  5.954  15.875 1.000 14.438 0 14  PRO AAA CA  1 ? 
ATOM   121  C C   . PRO A 1 16  ? 14.498  6.346  14.584 1.000 14.739 0 14  PRO AAA C   1 ? 
ATOM   122  O O   . PRO A 1 16  ? 13.332  6.691  14.621 1.000 13.357 0 14  PRO AAA O   1 ? 
ATOM   123  C CB  . PRO A 1 16  ? 14.670  4.650  16.453 1.000 14.316 0 14  PRO AAA CB  1 ? 
ATOM   124  C CG  . PRO A 1 16  ? 14.669  4.885  17.953 1.000 14.034 0 14  PRO AAA CG  1 ? 
ATOM   125  C CD  . PRO A 1 16  ? 14.419  6.360  18.146 1.000 15.057 0 14  PRO AAA CD  1 ? 
ATOM   126  N N   . VAL A 1 17  ? 15.207  6.207  13.466 1.000 15.182 0 15  VAL AAA N   1 ? 
ATOM   127  C CA  . VAL A 1 17  ? 14.631  6.419  12.127 1.000 15.701 0 15  VAL AAA CA  1 ? 
ATOM   128  C C   . VAL A 1 17  ? 13.734  5.235  11.759 1.000 14.999 0 15  VAL AAA C   1 ? 
ATOM   129  O O   . VAL A 1 17  ? 13.990  4.097  12.215 1.000 17.648 0 15  VAL AAA O   1 ? 
ATOM   130  C CB  . VAL A 1 17  ? 15.773  6.654  11.113 1.000 19.192 0 15  VAL AAA CB  1 ? 
ATOM   131  C CG1 . VAL A 1 17  ? 15.290  6.752  9.700  1.000 25.519 0 15  VAL AAA CG1 1 ? 
ATOM   132  C CG2 . VAL A 1 17  ? 16.531  7.914  11.505 1.000 20.325 0 15  VAL AAA CG2 1 ? 
ATOM   133  N N   . LEU A 1 18  ? 12.710  5.504  10.965 1.000 14.280 0 16  LEU AAA N   1 ? 
ATOM   134  C CA  . LEU A 1 18  ? 11.845  4.429  10.443 1.000 14.648 0 16  LEU AAA CA  1 ? 
ATOM   135  C C   . LEU A 1 18  ? 12.280  4.017  9.021  1.000 15.444 0 16  LEU AAA C   1 ? 
ATOM   136  O O   . LEU A 1 18  ? 13.118  4.682  8.416  1.000 15.724 0 16  LEU AAA O   1 ? 
ATOM   137  C CB  . LEU A 1 18  ? 10.408  4.876  10.524 1.000 13.990 0 16  LEU AAA CB  1 ? 
ATOM   138  C CG  . LEU A 1 18  ? 9.874   4.970  11.969 1.000 14.223 0 16  LEU AAA CG  1 ? 
ATOM   139  C CD1 . LEU A 1 18  ? 10.189  6.353  12.565 1.000 14.389 0 16  LEU AAA CD1 1 ? 
ATOM   140  C CD2 . LEU A 1 18  ? 8.395   4.723  11.989 1.000 14.496 0 16  LEU AAA CD2 1 ? 
ATOM   141  N N   . LYS A 1 19  ? 11.778  2.877  8.565  1.000 14.324 0 17  LYS AAA N   1 ? 
ATOM   142  C CA  . LYS A 1 19  ? 12.276  2.216  7.336  1.000 16.801 0 17  LYS AAA CA  1 ? 
ATOM   143  C C   . LYS A 1 19  ? 11.151  2.003  6.343  1.000 16.127 0 17  LYS AAA C   1 ? 
ATOM   144  O O   . LYS A 1 19  ? 11.333  2.260  5.145  1.000 16.077 0 17  LYS AAA O   1 ? 
ATOM   145  C CB  . LYS A 1 19  ? 12.861  0.841  7.705  1.000 18.396 0 17  LYS AAA CB  1 ? 
ATOM   146  C CG  . LYS A 1 19  ? 13.110  -0.054 6.487  1.000 23.910 0 17  LYS AAA CG  1 ? 
ATOM   147  C CD  . LYS A 1 19  ? 13.554  -1.430 6.871  1.000 25.964 0 17  LYS AAA CD  1 ? 
ATOM   148  C CE  . LYS A 1 19  ? 14.105  -2.201 5.691  1.000 28.350 0 17  LYS AAA CE  1 ? 
ATOM   149  N NZ  . LYS A 1 19  ? 13.029  -2.604 4.775  1.000 29.518 0 17  LYS AAA NZ  1 ? 
ATOM   150  N N   . THR A 1 20  ? 10.048  1.422  6.772  1.000 14.004 0 18  THR AAA N   1 ? 
ATOM   151  C CA  . THR A 1 20  ? 9.068   0.814  5.850  1.000 14.851 0 18  THR AAA CA  1 ? 
ATOM   152  C C   . THR A 1 20  ? 8.115   1.846  5.243  1.000 15.569 0 18  THR AAA C   1 ? 
ATOM   153  O O   . THR A 1 20  ? 7.426   2.577  5.988  1.000 15.243 0 18  THR AAA O   1 ? 
ATOM   154  C CB  . THR A 1 20  ? 8.337   -0.330 6.557  1.000 14.948 0 18  THR AAA CB  1 ? 
ATOM   155  O OG1 . THR A 1 20  ? 9.345   -1.244 7.002  1.000 14.020 0 18  THR AAA OG1 1 ? 
ATOM   156  C CG2 . THR A 1 20  ? 7.361   -1.018 5.655  1.000 14.072 0 18  THR AAA CG2 1 ? 
ATOM   157  N N   . ASN A 1 21  ? 8.017   1.860  3.905  1.000 15.130 0 19  ASN AAA N   1 ? 
ATOM   158  C CA  . ASN A 1 21  ? 6.975   2.695  3.282  1.000 17.155 0 19  ASN AAA CA  1 ? 
ATOM   159  C C   . ASN A 1 21  ? 5.711   1.846  3.183  1.000 17.543 0 19  ASN AAA C   1 ? 
ATOM   160  O O   . ASN A 1 21  ? 5.491   1.094  2.194  1.000 19.775 0 19  ASN AAA O   1 ? 
ATOM   161  C CB  . ASN A 1 21  ? 7.430   3.339  1.969  1.000 21.505 0 19  ASN AAA CB  1 ? 
ATOM   162  C CG  . ASN A 1 21  ? 6.533   4.530  1.681  1.000 23.330 0 19  ASN AAA CG  1 ? 
ATOM   163  O OD1 . ASN A 1 21  ? 5.353   4.370  1.730  1.000 21.504 0 19  ASN AAA OD1 1 ? 
ATOM   164  N ND2 . ASN A 1 21  ? 7.068   5.729  1.435  1.000 30.438 0 19  ASN AAA ND2 1 ? 
ATOM   165  N N   . ALA A 1 22  ? 4.897   1.880  4.226  1.000 15.543 0 20  ALA AAA N   1 ? 
ATOM   166  C CA  . ALA A 1 22  ? 3.607   1.149  4.254  1.000 15.915 0 20  ALA AAA CA  1 ? 
ATOM   167  C C   . ALA A 1 22  ? 2.608   1.944  5.072  1.000 15.428 0 20  ALA AAA C   1 ? 
ATOM   168  O O   . ALA A 1 22  ? 2.997   2.531  6.084  1.000 13.864 0 20  ALA AAA O   1 ? 
ATOM   169  C CB  . ALA A 1 22  ? 3.794   -0.222 4.841  1.000 18.062 0 20  ALA AAA CB  1 ? 
ATOM   170  N N   . GLY A 1 23  ? 1.347   1.886  4.658  1.000 14.923 0 21  GLY AAA N   1 ? 
ATOM   171  C CA  . GLY A 1 23  ? 0.218   2.476  5.371  1.000 16.157 0 21  GLY AAA CA  1 ? 
ATOM   172  C C   . GLY A 1 23  ? -0.780  1.410  5.795  1.000 15.181 0 21  GLY AAA C   1 ? 
ATOM   173  O O   . GLY A 1 23  ? -0.549  0.207  5.598  1.000 15.680 0 21  GLY AAA O   1 ? 
ATOM   174  N N   . PRO A 1 24  ? -1.897  1.849  6.391  1.000 16.797 0 22  PRO AAA N   1 ? 
ATOM   175  C CA  . PRO A 1 24  ? -2.865  0.959  7.035  1.000 17.791 0 22  PRO AAA CA  1 ? 
ATOM   176  C C   . PRO A 1 24  ? -3.391  -0.227 6.211  1.000 19.127 0 22  PRO AAA C   1 ? 
ATOM   177  O O   . PRO A 1 24  ? -3.799  -1.205 6.801  1.000 20.907 0 22  PRO AAA O   1 ? 
ATOM   178  C CB  . PRO A 1 24  ? -4.038  1.903  7.280  1.000 19.636 0 22  PRO AAA CB  1 ? 
ATOM   179  C CG  . PRO A 1 24  ? -3.383  3.221  7.545  1.000 18.854 0 22  PRO AAA CG  1 ? 
ATOM   180  C CD  . PRO A 1 24  ? -2.217  3.270  6.603  1.000 16.491 0 22  PRO AAA CD  1 ? 
ATOM   181  N N   . ARG A 1 25  ? -3.383  -0.127 4.895  1.000 19.978 0 23  ARG AAA N   1 ? 
ATOM   182  C CA  . ARG A 1 25  ? -3.938  -1.214 4.039  1.000 21.144 0 23  ARG AAA CA  1 ? 
ATOM   183  C C   . ARG A 1 25  ? -2.863  -2.234 3.651  1.000 21.633 0 23  ARG AAA C   1 ? 
ATOM   184  O O   . ARG A 1 25  ? -3.214  -3.216 2.966  1.000 23.763 0 23  ARG AAA O   1 ? 
ATOM   185  C CB  . ARG A 1 25  ? -4.598  -0.597 2.809  1.000 24.205 0 23  ARG AAA CB  1 ? 
ATOM   186  C CG  . ARG A 1 25  ? -5.767  0.312  3.179  1.000 26.231 0 23  ARG AAA CG  1 ? 
ATOM   187  C CD  . ARG A 1 25  ? -6.659  0.675  1.994  1.000 30.760 0 23  ARG AAA CD  1 ? 
ATOM   188  N NE  . ARG A 1 25  ? -5.868  1.010  0.825  1.000 34.155 0 23  ARG AAA NE  1 ? 
ATOM   189  C CZ  . ARG A 1 25  ? -6.350  1.490  -0.322 1.000 39.876 0 23  ARG AAA CZ  1 ? 
ATOM   190  N NH1 . ARG A 1 25  ? -7.640  1.767  -0.444 1.000 39.027 0 23  ARG AAA NH1 1 ? 
ATOM   191  N NH2 . ARG A 1 25  ? -5.522  1.692  -1.334 1.000 42.339 0 23  ARG AAA NH2 1 ? 
ATOM   192  N N   . ASP A 1 26  ? -1.602  -2.079 4.095  1.000 18.629 0 24  ASP AAA N   1 ? 
ATOM   193  C CA  . ASP A 1 26  ? -0.468  -2.818 3.512  1.000 18.787 0 24  ASP AAA CA  1 ? 
ATOM   194  C C   . ASP A 1 26  ? -0.057  -4.049 4.349  1.000 17.842 0 24  ASP AAA C   1 ? 
ATOM   195  O O   . ASP A 1 26  ? 1.054   -4.557 4.084  1.000 18.254 0 24  ASP AAA O   1 ? 
ATOM   196  C CB  . ASP A 1 26  ? 0.701   -1.886 3.235  1.000 19.516 0 24  ASP AAA CB  1 ? 
ATOM   197  C CG  . ASP A 1 26  ? 0.357   -0.814 2.231  1.000 24.102 0 24  ASP AAA CG  1 ? 
ATOM   198  O OD1 . ASP A 1 26  ? -0.409  -1.126 1.257  1.000 26.551 0 24  ASP AAA OD1 1 ? 
ATOM   199  O OD2 . ASP A 1 26  ? 0.848   0.301  2.405  1.000 21.198 0 24  ASP AAA OD2 1 ? 
ATOM   200  N N   . ARG A 1 27  ? -0.951  -4.581 5.199  1.000 20.782 0 25  ARG AAA N   1 ? 
ATOM   201  C CA  . ARG A 1 27  ? -0.901  -5.992 5.691  1.000 21.810 0 25  ARG AAA CA  1 ? 
ATOM   202  C C   . ARG A 1 27  ? 0.410   -6.223 6.446  1.000 18.986 0 25  ARG AAA C   1 ? 
ATOM   203  O O   . ARG A 1 27  ? 0.712   -5.433 7.371  1.000 18.391 0 25  ARG AAA O   1 ? 
ATOM   204  C CB  . ARG A 1 27  ? -1.053  -6.976 4.517  1.000 26.029 0 25  ARG AAA CB  1 ? 
ATOM   205  C CG  . ARG A 1 27  ? -2.272  -6.710 3.644  1.000 34.296 0 25  ARG AAA CG  1 ? 
ATOM   206  C CD  . ARG A 1 27  ? -3.586  -6.804 4.391  1.000 42.227 0 25  ARG AAA CD  1 ? 
ATOM   207  N NE  . ARG A 1 27  ? -4.638  -6.217 3.555  1.000 54.114 0 25  ARG AAA NE  1 ? 
ATOM   208  C CZ  . ARG A 1 27  ? -5.521  -5.282 3.925  1.000 56.141 0 25  ARG AAA CZ  1 ? 
ATOM   209  N NH1 . ARG A 1 27  ? -5.572  -4.832 5.169  1.000 52.588 0 25  ARG AAA NH1 1 ? 
ATOM   210  N NH2 . ARG A 1 27  ? -6.384  -4.817 3.036  1.000 62.377 0 25  ARG AAA NH2 1 ? 
ATOM   211  N N   . GLU A 1 28  ? 1.184   -7.252 6.098  1.000 19.331 0 26  GLU AAA N   1 ? 
ATOM   212  C CA  . GLU A 1 28  ? 2.435   -7.554 6.838  1.000 19.700 0 26  GLU AAA CA  1 ? 
ATOM   213  C C   . GLU A 1 28  ? 3.373   -6.343 6.845  1.000 18.251 0 26  GLU AAA C   1 ? 
ATOM   214  O O   . GLU A 1 28  ? 4.170   -6.223 7.825  1.000 15.584 0 26  GLU AAA O   1 ? 
ATOM   215  C CB  . GLU A 1 28  ? 3.148   -8.777 6.263  1.000 24.736 0 26  GLU AAA CB  1 ? 
ATOM   216  C CG  . GLU A 1 28  ? 3.614   -8.620 4.841  1.000 27.133 0 26  GLU AAA CG  1 ? 
ATOM   217  C CD  . GLU A 1 28  ? 2.545   -8.780 3.766  1.000 33.650 0 26  GLU AAA CD  1 ? 
ATOM   218  O OE1 . GLU A 1 28  ? 1.441   -9.270 4.081  1.000 29.480 0 26  GLU AAA OE1 1 ? 
ATOM   219  O OE2 . GLU A 1 28  ? 2.843   -8.425 2.620  1.000 39.963 0 26  GLU AAA OE2 1 ? 
ATOM   220  N N   . LEU A 1 29  ? 3.411   -5.527 5.780  1.000 16.464 0 27  LEU AAA N   1 ? 
ATOM   221  C CA  . LEU A 1 29  ? 4.347   -4.371 5.764  1.000 15.621 0 27  LEU AAA CA  1 ? 
ATOM   222  C C   . LEU A 1 29  ? 3.871   -3.323 6.768  1.000 14.616 0 27  LEU AAA C   1 ? 
ATOM   223  O O   . LEU A 1 29  ? 4.708   -2.624 7.279  1.000 15.178 0 27  LEU AAA O   1 ? 
ATOM   224  C CB  . LEU A 1 29  ? 4.484   -3.798 4.349  1.000 15.668 0 27  LEU AAA CB  1 ? 
ATOM   225  C CG  . LEU A 1 29  ? 5.158   -4.754 3.361  1.000 18.436 0 27  LEU AAA CG  1 ? 
ATOM   226  C CD1 . LEU A 1 29  ? 5.192   -4.167 1.954  1.000 19.741 0 27  LEU AAA CD1 1 ? 
ATOM   227  C CD2 . LEU A 1 29  ? 6.563   -5.105 3.793  1.000 20.670 0 27  LEU AAA CD2 1 ? 
ATOM   228  N N   . TRP A 1 30  ? 2.562   -3.164 6.940  1.000 15.401 0 28  TRP AAA N   1 ? 
ATOM   229  C CA  . TRP A 1 30  ? 1.968   -2.219 7.915  1.000 13.826 0 28  TRP AAA CA  1 ? 
ATOM   230  C C   . TRP A 1 30  ? 2.270   -2.703 9.327  1.000 14.683 0 28  TRP AAA C   1 ? 
ATOM   231  O O   . TRP A 1 30  ? 2.640   -1.893 10.173 1.000 12.994 0 28  TRP AAA O   1 ? 
ATOM   232  C CB  . TRP A 1 30  ? 0.464   -2.048 7.674  1.000 14.681 0 28  TRP AAA CB  1 ? 
ATOM   233  C CG  . TRP A 1 30  ? -0.199  -1.179 8.691  1.000 14.194 0 28  TRP AAA CG  1 ? 
ATOM   234  C CD1 . TRP A 1 30  ? -1.269  -1.498 9.475  1.000 15.911 0 28  TRP AAA CD1 1 ? 
ATOM   235  C CD2 . TRP A 1 30  ? 0.128   0.189  8.994  1.000 14.553 0 28  TRP AAA CD2 1 ? 
ATOM   236  N NE1 . TRP A 1 30  ? -1.631  -0.427 10.252 1.000 17.041 0 28  TRP AAA NE1 1 ? 
ATOM   237  C CE2 . TRP A 1 30  ? -0.786  0.616  9.989  1.000 15.997 0 28  TRP AAA CE2 1 ? 
ATOM   238  C CE3 . TRP A 1 30  ? 1.121   1.078  8.562  1.000 14.146 0 28  TRP AAA CE3 1 ? 
ATOM   239  C CZ2 . TRP A 1 30  ? -0.742  1.899  10.513 1.000 16.011 0 28  TRP AAA CZ2 1 ? 
ATOM   240  C CZ3 . TRP A 1 30  ? 1.133   2.356  9.066  1.000 14.570 0 28  TRP AAA CZ3 1 ? 
ATOM   241  C CH2 . TRP A 1 30  ? 0.252   2.734  10.075 1.000 16.435 0 28  TRP AAA CH2 1 ? 
ATOM   242  N N   . VAL A 1 31  ? 2.174   -4.022 9.569  1.000 13.739 0 29  VAL AAA N   1 ? 
ATOM   243  C CA  . VAL A 1 31  ? 2.548   -4.571 10.895 1.000 14.493 0 29  VAL AAA CA  1 ? 
ATOM   244  C C   . VAL A 1 31  ? 3.999   -4.201 11.216 1.000 13.570 0 29  VAL AAA C   1 ? 
ATOM   245  O O   . VAL A 1 31  ? 4.277   -3.799 12.349 1.000 13.520 0 29  VAL AAA O   1 ? 
ATOM   246  C CB  . VAL A 1 31  ? 2.286   -6.085 10.931 1.000 16.204 0 29  VAL AAA CB  1 ? 
ATOM   247  C CG1 . VAL A 1 31  ? 2.853   -6.708 12.209 1.000 19.055 0 29  VAL AAA CG1 1 ? 
ATOM   248  C CG2 . VAL A 1 31  ? 0.783   -6.312 10.858 1.000 17.294 0 29  VAL AAA CG2 1 ? 
ATOM   249  N N   . GLN A 1 32  ? 4.896   -4.335 10.243 1.000 13.730 0 30  GLN AAA N   1 ? 
ATOM   250  C CA  . GLN A 1 32  ? 6.330   -4.004 10.409 1.000 12.952 0 30  GLN AAA CA  1 ? 
ATOM   251  C C   . GLN A 1 32  ? 6.465   -2.503 10.661 1.000 13.432 0 30  GLN AAA C   1 ? 
ATOM   252  O O   . GLN A 1 32  ? 7.232   -2.093 11.499 1.000 13.223 0 30  GLN AAA O   1 ? 
ATOM   253  C CB  . GLN A 1 32  ? 7.089   -4.480 9.165  1.000 14.370 0 30  GLN AAA CB  1 ? 
ATOM   254  C CG  . GLN A 1 32  ? 8.532   -4.011 9.106  1.000 14.407 0 30  GLN AAA CG  1 ? 
ATOM   255  C CD  . GLN A 1 32  ? 9.349   -4.452 10.293 1.000 14.798 0 30  GLN AAA CD  1 ? 
ATOM   256  O OE1 . GLN A 1 32  ? 9.152   -5.573 10.809 1.000 13.758 0 30  GLN AAA OE1 1 ? 
ATOM   257  N NE2 . GLN A 1 32  ? 10.288  -3.601 10.697 1.000 14.316 0 30  GLN AAA NE2 1 ? 
ATOM   258  N N   . ARG A 1 33  ? 5.800   -1.687 9.849  1.000 12.971 0 31  ARG AAA N   1 ? 
ATOM   259  C CA  . ARG A 1 33  ? 5.834   -0.218 10.053 1.000 13.059 0 31  ARG AAA CA  1 ? 
ATOM   260  C C   . ARG A 1 33  ? 5.422   0.114  11.485 1.000 13.659 0 31  ARG AAA C   1 ? 
ATOM   261  O O   . ARG A 1 33  ? 6.081   0.974  12.106 1.000 12.881 0 31  ARG AAA O   1 ? 
ATOM   262  C CB  . ARG A 1 33  ? 4.966   0.502  9.023  1.000 13.614 0 31  ARG AAA CB  1 ? 
ATOM   263  C CG  . ARG A 1 33  ? 4.921   2.022  9.224  1.000 13.621 0 31  ARG AAA CG  1 ? 
ATOM   264  C CD  . ARG A 1 33  ? 6.252   2.677  9.036  1.000 13.960 0 31  ARG AAA CD  1 ? 
ATOM   265  N NE  . ARG A 1 33  ? 6.155   4.128  9.233  1.000 13.643 0 31  ARG AAA NE  1 ? 
ATOM   266  C CZ  . ARG A 1 33  ? 7.000   5.032  8.758  1.000 14.742 0 31  ARG AAA CZ  1 ? 
ATOM   267  N NH1 . ARG A 1 33  ? 7.950   4.701  7.889  1.000 13.923 0 31  ARG AAA NH1 1 ? 
ATOM   268  N NH2 . ARG A 1 33  ? 6.894   6.285  9.166  1.000 15.215 0 31  ARG AAA NH2 1 ? 
ATOM   269  N N   . LEU A 1 34  ? 4.381   -0.533 12.012 1.000 12.389 0 32  LEU AAA N   1 ? 
ATOM   270  C CA  . LEU A 1 34  ? 3.928   -0.259 13.405 1.000 12.773 0 32  LEU AAA CA  1 ? 
ATOM   271  C C   . LEU A 1 34  ? 4.997   -0.641 14.439 1.000 14.792 0 32  LEU AAA C   1 ? 
ATOM   272  O O   . LEU A 1 34  ? 5.169   0.108  15.417 1.000 14.608 0 32  LEU AAA O   1 ? 
ATOM   273  C CB  . LEU A 1 34  ? 2.584   -0.936 13.683 1.000 14.071 0 32  LEU AAA CB  1 ? 
ATOM   274  C CG  . LEU A 1 34  ? 1.371   -0.277 13.022 1.000 16.197 0 32  LEU AAA CG  1 ? 
ATOM   275  C CD1 . LEU A 1 34  ? 0.140   -1.155 13.181 1.000 17.302 0 32  LEU AAA CD1 1 ? 
ATOM   276  C CD2 . LEU A 1 34  ? 1.138   1.131  13.614 1.000 15.090 0 32  LEU AAA CD2 1 ? 
ATOM   277  N N   . LYS A 1 35  ? 5.770   -1.704 14.210 1.000 14.082 0 33  LYS AAA N   1 ? 
ATOM   278  C CA  . LYS A 1 35  ? 6.895   -2.025 15.126 1.000 14.356 0 33  LYS AAA CA  1 ? 
ATOM   279  C C   . LYS A 1 35  ? 7.898   -0.865 15.142 1.000 14.415 0 33  LYS AAA C   1 ? 
ATOM   280  O O   . LYS A 1 35  ? 8.387   -0.481 16.187 1.000 14.528 0 33  LYS AAA O   1 ? 
ATOM   281  C CB  . LYS A 1 35  ? 7.591   -3.324 14.729 1.000 14.912 0 33  LYS AAA CB  1 ? 
ATOM   282  C CG  . LYS A 1 35  ? 6.690   -4.534 14.809 1.000 16.316 0 33  LYS AAA CG  1 ? 
ATOM   283  C CD  . LYS A 1 35  ? 7.414   -5.828 14.481 1.000 17.395 0 33  LYS AAA CD  1 ? 
ATOM   284  C CE  . LYS A 1 35  ? 6.409   -6.970 14.508 1.000 22.212 0 33  LYS AAA CE  1 ? 
ATOM   285  N NZ  . LYS A 1 35  ? 7.029   -8.206 13.996 1.000 24.332 0 33  LYS AAA NZ  1 ? 
ATOM   286  N N   . GLU A 1 36  ? 8.224   -0.335 13.978 1.000 13.015 0 34  GLU AAA N   1 ? 
ATOM   287  C CA  . GLU A 1 36  ? 9.142   0.821  13.844 1.000 12.770 0 34  GLU AAA CA  1 ? 
ATOM   288  C C   . GLU A 1 36  ? 8.529   2.029  14.557 1.000 12.480 0 34  GLU AAA C   1 ? 
ATOM   289  O O   . GLU A 1 36  ? 9.266   2.774  15.229 1.000 12.124 0 34  GLU AAA O   1 ? 
ATOM   290  C CB  . GLU A 1 36  ? 9.420   1.112  12.374 1.000 13.712 0 34  GLU AAA CB  1 ? 
ATOM   291  C CG  . GLU A 1 36  ? 10.062  -0.063 11.651 1.000 14.092 0 34  GLU AAA CG  1 ? 
ATOM   292  C CD  . GLU A 1 36  ? 9.984   0.023  10.131 1.000 15.197 0 34  GLU AAA CD  1 ? 
ATOM   293  O OE1 . GLU A 1 36  ? 9.700   1.131  9.619  1.000 15.275 0 34  GLU AAA OE1 1 ? 
ATOM   294  O OE2 . GLU A 1 36  ? 10.280  -1.007 9.462  1.000 15.993 0 34  GLU AAA OE2 1 ? 
ATOM   295  N N   . GLU A 1 37  ? 7.241   2.259  14.388 1.000 12.399 0 35  GLU AAA N   1 ? 
ATOM   296  C CA  . GLU A 1 37  ? 6.559   3.414  15.025 1.000 13.109 0 35  GLU AAA CA  1 ? 
ATOM   297  C C   . GLU A 1 37  ? 6.634   3.307  16.558 1.000 13.650 0 35  GLU AAA C   1 ? 
ATOM   298  O O   . GLU A 1 37  ? 6.969   4.289  17.225 1.000 12.798 0 35  GLU AAA O   1 ? 
ATOM   299  C CB  . GLU A 1 37  ? 5.105   3.502  14.597 1.000 13.938 0 35  GLU AAA CB  1 ? 
ATOM   300  C CG  . GLU A 1 37  ? 4.921   3.803  13.115 1.000 13.945 0 35  GLU AAA CG  1 ? 
ATOM   301  C CD  . GLU A 1 37  ? 5.207   5.242  12.698 1.000 15.267 0 35  GLU AAA CD  1 ? 
ATOM   302  O OE1 . GLU A 1 37  ? 5.555   6.087  13.595 1.000 14.524 0 35  GLU AAA OE1 1 ? 
ATOM   303  O OE2 . GLU A 1 37  ? 5.160   5.505  11.455 1.000 14.288 0 35  GLU AAA OE2 1 ? 
ATOM   304  N N   . TYR A 1 38  ? 6.332   2.137  17.098 1.000 13.764 0 36  TYR AAA N   1 ? 
ATOM   305  C CA  . TYR A 1 38  ? 6.372   1.948  18.575 1.000 14.247 0 36  TYR AAA CA  1 ? 
ATOM   306  C C   . TYR A 1 38  ? 7.820   2.007  19.077 1.000 15.236 0 36  TYR AAA C   1 ? 
ATOM   307  O O   . TYR A 1 38  ? 8.068   2.597  20.164 1.000 14.628 0 36  TYR AAA O   1 ? 
ATOM   308  C CB  . TYR A 1 38  ? 5.651   0.656  18.985 1.000 13.147 0 36  TYR AAA CB  1 ? 
ATOM   309  C CG  . TYR A 1 38  ? 4.159   0.801  19.155 1.000 13.635 0 36  TYR AAA CG  1 ? 
ATOM   310  C CD1 . TYR A 1 38  ? 3.646   1.192  20.377 1.000 16.212 0 36  TYR AAA CD1 1 ? 
ATOM   311  C CD2 . TYR A 1 38  ? 3.267   0.538  18.132 1.000 16.051 0 36  TYR AAA CD2 1 ? 
ATOM   312  C CE1 . TYR A 1 38  ? 2.285   1.322  20.583 1.000 15.256 0 36  TYR AAA CE1 1 ? 
ATOM   313  C CE2 . TYR A 1 38  ? 1.892   0.703  18.310 1.000 14.609 0 36  TYR AAA CE2 1 ? 
ATOM   314  C CZ  . TYR A 1 38  ? 1.405   1.080  19.553 1.000 16.775 0 36  TYR AAA CZ  1 ? 
ATOM   315  O OH  . TYR A 1 38  ? 0.063   1.213  19.797 1.000 17.629 0 36  TYR AAA OH  1 ? 
ATOM   316  N N   . GLN A 1 39  ? 8.771   1.399  18.370 1.000 15.030 0 37  GLN AAA N   1 ? 
ATOM   317  C CA  . GLN A 1 39  ? 10.196  1.469  18.800 1.000 16.143 0 37  GLN AAA CA  1 ? 
ATOM   318  C C   . GLN A 1 39  ? 10.664  2.936  18.816 1.000 14.038 0 37  GLN AAA C   1 ? 
ATOM   319  O O   . GLN A 1 39  ? 11.367  3.306  19.784 1.000 14.165 0 37  GLN AAA O   1 ? 
ATOM   320  C CB  . GLN A 1 39  ? 11.052  0.505  17.954 1.000 20.339 0 37  GLN AAA CB  1 ? 
ATOM   321  C CG  . GLN A 1 39  ? 11.971  1.131  16.952 1.000 25.105 0 37  GLN AAA CG  1 ? 
ATOM   322  C CD  . GLN A 1 39  ? 12.819  0.163  16.153 1.000 23.438 0 37  GLN AAA CD  1 ? 
ATOM   323  O OE1 . GLN A 1 39  ? 13.128  0.447  15.000 1.000 24.461 0 37  GLN AAA OE1 1 ? 
ATOM   324  N NE2 . GLN A 1 39  ? 13.074  -1.035 16.672 1.000 20.407 0 37  GLN AAA NE2 1 ? 
ATOM   325  N N   . SER A 1 40  ? 10.280  3.756  17.835 1.000 13.075 0 38  SER AAA N   1 ? 
ATOM   326  C CA  . SER A 1 40  ? 10.698  5.183  17.769 1.000 13.596 0 38  SER AAA CA  1 ? 
ATOM   327  C C   . SER A 1 40  ? 10.022  5.966  18.891 1.000 13.712 0 38  SER AAA C   1 ? 
ATOM   328  O O   . SER A 1 40  ? 10.689  6.738  19.573 1.000 14.665 0 38  SER AAA O   1 ? 
ATOM   329  C CB  . SER A 1 40  ? 10.424  5.768  16.387 1.000 16.202 0 38  SER AAA CB  1 ? 
ATOM   330  O OG  . SER A 1 40  ? 11.278  5.161  15.463 1.000 20.403 0 38  SER AAA OG  1 ? 
ATOM   331  N N   . LEU A 1 41  ? 8.726   5.765  19.076 1.000 13.791 0 39  LEU AAA N   1 ? 
ATOM   332  C CA  . LEU A 1 41  ? 7.939   6.488  20.107 1.000 13.518 0 39  LEU AAA CA  1 ? 
ATOM   333  C C   . LEU A 1 41  ? 8.497   6.207  21.492 1.000 13.848 0 39  LEU AAA C   1 ? 
ATOM   334  O O   . LEU A 1 41  ? 8.674   7.157  22.279 1.000 14.939 0 39  LEU AAA O   1 ? 
ATOM   335  C CB  . LEU A 1 41  ? 6.457   6.119  20.013 1.000 15.129 0 39  LEU AAA CB  1 ? 
ATOM   336  C CG  . LEU A 1 41  ? 5.640   6.878  18.990 1.000 17.038 0 39  LEU AAA CG  1 ? 
ATOM   337  C CD1 . LEU A 1 41  ? 4.262   6.242  18.838 1.000 18.667 0 39  LEU AAA CD1 1 ? 
ATOM   338  C CD2 . LEU A 1 41  ? 5.493   8.366  19.367 1.000 16.088 0 39  LEU AAA CD2 1 ? 
ATOM   339  N N   . ILE A 1 42  ? 8.742   4.944  21.821 1.000 15.050 0 40  ILE AAA N   1 ? 
ATOM   340  C CA  . ILE A 1 42  ? 9.162   4.621  23.220 1.000 14.663 0 40  ILE AAA CA  1 ? 
ATOM   341  C C   . ILE A 1 42  ? 10.560  5.168  23.500 1.000 14.519 0 40  ILE AAA C   1 ? 
ATOM   342  O O   . ILE A 1 42  ? 10.816  5.621  24.654 1.000 14.933 0 40  ILE AAA O   1 ? 
ATOM   343  C CB  . ILE A 1 42  ? 8.978   3.134  23.549 1.000 15.210 0 40  ILE AAA CB  1 ? 
ATOM   344  C CG1 . ILE A 1 42  ? 8.928   2.934  25.069 1.000 17.808 0 40  ILE AAA CG1 1 ? 
ATOM   345  C CG2 . ILE A 1 42  ? 10.001  2.247  22.916 1.000 16.133 0 40  ILE AAA CG2 1 ? 
ATOM   346  C CD1 . ILE A 1 42  ? 7.773   3.606  25.739 1.000 20.111 0 40  ILE AAA CD1 1 ? 
ATOM   347  N N   . ARG A 1 43  ? 11.453  5.178  22.519 1.000 13.769 0 41  ARG AAA N   1 ? 
ATOM   348  C CA  . ARG A 1 43  ? 12.792  5.751  22.735 1.000 14.953 0 41  ARG AAA CA  1 ? 
ATOM   349  C C   . ARG A 1 43  ? 12.643  7.270  22.937 1.000 13.837 0 41  ARG AAA C   1 ? 
ATOM   350  O O   . ARG A 1 43  ? 13.311  7.831  23.804 1.000 14.067 0 41  ARG AAA O   1 ? 
ATOM   351  C CB  . ARG A 1 43  ? 13.721  5.388  21.572 1.000 14.540 0 41  ARG AAA CB  1 ? 
ATOM   352  C CG  . ARG A 1 43  ? 15.090  6.045  21.647 1.000 16.682 0 41  ARG AAA CG  1 ? 
ATOM   353  C CD  . ARG A 1 43  ? 15.896  5.674  22.880 1.000 19.881 0 41  ARG AAA CD  1 ? 
ATOM   354  N NE  . ARG A 1 43  ? 17.065  6.548  23.005 1.000 23.148 0 41  ARG AAA NE  1 ? 
ATOM   355  C CZ  . ARG A 1 43  ? 18.232  6.383  22.372 1.000 27.070 0 41  ARG AAA CZ  1 ? 
ATOM   356  N NH1 . ARG A 1 43  ? 18.402  5.377  21.527 1.000 25.960 0 41  ARG AAA NH1 1 ? 
ATOM   357  N NH2 . ARG A 1 43  ? 19.236  7.210  22.636 1.000 28.190 0 41  ARG AAA NH2 1 ? 
ATOM   358  N N   . TYR A 1 44  ? 11.810  7.923  22.126 1.000 14.049 0 42  TYR AAA N   1 ? 
ATOM   359  C CA  . TYR A 1 44  ? 11.551  9.379  22.271 1.000 14.028 0 42  TYR AAA CA  1 ? 
ATOM   360  C C   . TYR A 1 44  ? 11.031  9.679  23.686 1.000 15.047 0 42  TYR AAA C   1 ? 
ATOM   361  O O   . TYR A 1 44  ? 11.545  10.576 24.363 1.000 14.692 0 42  TYR AAA O   1 ? 
ATOM   362  C CB  . TYR A 1 44  ? 10.656  9.853  21.135 1.000 14.042 0 42  TYR AAA CB  1 ? 
ATOM   363  C CG  . TYR A 1 44  ? 10.368  11.337 21.172 1.000 14.258 0 42  TYR AAA CG  1 ? 
ATOM   364  C CD1 . TYR A 1 44  ? 11.367  12.251 21.433 1.000 14.392 0 42  TYR AAA CD1 1 ? 
ATOM   365  C CD2 . TYR A 1 44  ? 9.097   11.825 20.924 1.000 14.470 0 42  TYR AAA CD2 1 ? 
ATOM   366  C CE1 . TYR A 1 44  ? 11.111  13.620 21.446 1.000 14.312 0 42  TYR AAA CE1 1 ? 
ATOM   367  C CE2 . TYR A 1 44  ? 8.812   13.185 20.974 1.000 15.469 0 42  TYR AAA CE2 1 ? 
ATOM   368  C CZ  . TYR A 1 44  ? 9.831   14.084 21.206 1.000 14.209 0 42  TYR AAA CZ  1 ? 
ATOM   369  O OH  . TYR A 1 44  ? 9.568   15.438 21.262 1.000 14.605 0 42  TYR AAA OH  1 ? 
ATOM   370  N N   . VAL A 1 45  ? 10.062  8.895  24.165 1.000 15.066 0 43  VAL AAA N   1 ? 
ATOM   371  C CA  . VAL A 1 45  ? 9.525   9.060  25.547 1.000 13.844 0 43  VAL AAA CA  1 ? 
ATOM   372  C C   . VAL A 1 45  ? 10.657  8.926  26.575 1.000 15.429 0 43  VAL AAA C   1 ? 
ATOM   373  O O   . VAL A 1 45  ? 10.726  9.761  27.511 1.000 15.979 0 43  VAL AAA O   1 ? 
ATOM   374  C CB  . VAL A 1 45  ? 8.363   8.106  25.830 1.000 15.773 0 43  VAL AAA CB  1 ? 
ATOM   375  C CG1 . VAL A 1 45  ? 8.030   8.102  27.330 1.000 16.405 0 43  VAL AAA CG1 1 ? 
ATOM   376  C CG2 . VAL A 1 45  ? 7.157   8.509  25.033 1.000 16.127 0 43  VAL AAA CG2 1 ? 
ATOM   377  N N   . GLU A 1 46  ? 11.452  7.865  26.486 1.000 15.361 0 44  GLU AAA N   1 ? 
ATOM   378  C CA  . GLU A 1 46  ? 12.568  7.599  27.420 1.000 16.279 0 44  GLU AAA CA  1 ? 
ATOM   379  C C   . GLU A 1 46  ? 13.519  8.800  27.408 1.000 15.356 0 44  GLU AAA C   1 ? 
ATOM   380  O O   . GLU A 1 46  ? 13.894  9.313  28.497 1.000 15.597 0 44  GLU AAA O   1 ? 
ATOM   381  C CB  . GLU A 1 46  ? 13.303  6.306  27.066 1.000 21.269 0 44  GLU AAA CB  1 ? 
ATOM   382  C CG  . GLU A 1 46  ? 14.553  6.087  27.938 1.000 26.038 0 44  GLU AAA CG  1 ? 
ATOM   383  C CD  . GLU A 1 46  ? 15.447  4.868  27.651 1.000 31.047 0 44  GLU AAA CD  1 ? 
ATOM   384  O OE1 . GLU A 1 46  ? 15.349  4.288  26.512 1.000 25.924 0 44  GLU AAA OE1 1 ? 
ATOM   385  O OE2 . GLU A 1 46  ? 16.274  4.487  28.595 1.000 30.003 0 44  GLU AAA OE2 1 ? 
ATOM   386  N N   . ASN A 1 47  ? 13.907  9.253  26.227 1.000 14.971 0 45  ASN AAA N   1 ? 
ATOM   387  C CA  . ASN A 1 47  ? 14.776  10.446 26.083 1.000 15.646 0 45  ASN AAA CA  1 ? 
ATOM   388  C C   . ASN A 1 47  ? 14.125  11.648 26.793 1.000 15.349 0 45  ASN AAA C   1 ? 
ATOM   389  O O   . ASN A 1 47  ? 14.828  12.425 27.448 1.000 15.028 0 45  ASN AAA O   1 ? 
ATOM   390  C CB  . ASN A 1 47  ? 15.011  10.745 24.615 1.000 16.432 0 45  ASN AAA CB  1 ? 
ATOM   391  C CG  . ASN A 1 47  ? 15.820  9.698  23.883 1.000 18.347 0 45  ASN AAA CG  1 ? 
ATOM   392  O OD1 . ASN A 1 47  ? 16.452  8.831  24.494 1.000 19.805 0 45  ASN AAA OD1 1 ? 
ATOM   393  N ND2 . ASN A 1 47  ? 15.868  9.842  22.571 1.000 19.040 0 45  ASN AAA ND2 1 ? 
ATOM   394  N N   . ASN A 1 48  ? 12.837  11.859 26.580 1.000 14.329 0 46  ASN AAA N   1 ? 
ATOM   395  C CA  . ASN A 1 48  ? 12.110  13.020 27.137 1.000 14.336 0 46  ASN AAA CA  1 ? 
ATOM   396  C C   . ASN A 1 48  ? 12.161  12.958 28.669 1.000 13.919 0 46  ASN AAA C   1 ? 
ATOM   397  O O   . ASN A 1 48  ? 12.325  13.995 29.310 1.000 14.694 0 46  ASN AAA O   1 ? 
ATOM   398  C CB  . ASN A 1 48  ? 10.671  13.058 26.646 1.000 14.448 0 46  ASN AAA CB  1 ? 
ATOM   399  C CG  . ASN A 1 48  ? 10.569  13.461 25.186 1.000 15.409 0 46  ASN AAA CG  1 ? 
ATOM   400  O OD1 . ASN A 1 48  ? 11.481  14.074 24.662 1.000 15.490 0 46  ASN AAA OD1 1 ? 
ATOM   401  N ND2 . ASN A 1 48  ? 9.416   13.213 24.577 1.000 15.906 0 46  ASN AAA ND2 1 ? 
ATOM   402  N N   . LYS A 1 49  ? 12.027  11.753 29.231 1.000 15.123 0 47  LYS AAA N   1 ? 
ATOM   403  C CA  . LYS A 1 49  ? 12.085  11.618 30.708 1.000 15.100 0 47  LYS AAA CA  1 ? 
ATOM   404  C C   . LYS A 1 49  ? 13.455  12.054 31.180 1.000 15.561 0 47  LYS AAA C   1 ? 
ATOM   405  O O   . LYS A 1 49  ? 13.538  12.783 32.197 1.000 17.255 0 47  LYS AAA O   1 ? 
ATOM   406  C CB  . LYS A 1 49  ? 11.767  10.174 31.104 1.000 16.690 0 47  LYS AAA CB  1 ? 
ATOM   407  C CG  . LYS A 1 49  ? 10.316  9.834  30.987 1.000 19.325 0 47  LYS AAA CG  1 ? 
ATOM   408  C CD  . LYS A 1 49  ? 10.070  8.357  31.359 1.000 25.006 0 47  LYS AAA CD  1 ? 
ATOM   409  C CE  . LYS A 1 49  ? 8.602   8.056  31.513 1.000 29.552 0 47  LYS AAA CE  1 ? 
ATOM   410  N NZ  . LYS A 1 49  ? 8.423   6.648  31.961 1.000 37.784 0 47  LYS AAA NZ  1 ? 
ATOM   411  N N   . ASN A 1 50  ? 14.515  11.632 30.494 1.000 16.511 0 48  ASN AAA N   1 ? 
ATOM   412  C CA  . ASN A 1 50  ? 15.909  12.003 30.874 1.000 19.010 0 48  ASN AAA CA  1 ? 
ATOM   413  C C   . ASN A 1 50  ? 16.129  13.514 30.710 1.000 21.920 0 48  ASN AAA C   1 ? 
ATOM   414  O O   . ASN A 1 50  ? 17.002  14.044 31.373 1.000 21.686 0 48  ASN AAA O   1 ? 
ATOM   415  C CB  . ASN A 1 50  ? 16.941  11.211 30.093 1.000 22.777 0 48  ASN AAA CB  1 ? 
ATOM   416  C CG  . ASN A 1 50  ? 16.925  9.763  30.529 1.000 30.600 0 48  ASN AAA CG  1 ? 
ATOM   417  O OD1 . ASN A 1 50  ? 16.769  9.477  31.716 1.000 36.957 0 48  ASN AAA OD1 1 ? 
ATOM   418  N ND2 . ASN A 1 50  ? 17.081  8.846  29.584 1.000 32.144 0 48  ASN AAA ND2 1 ? 
ATOM   419  N N   . ALA A 1 51  ? 15.373  14.161 29.829 1.000 17.184 0 49  ALA AAA N   1 ? 
ATOM   420  C CA  . ALA A 1 51  ? 15.443  15.612 29.559 1.000 17.340 0 49  ALA AAA CA  1 ? 
ATOM   421  C C   . ALA A 1 51  ? 14.555  16.441 30.520 1.000 16.387 0 49  ALA AAA C   1 ? 
ATOM   422  O O   . ALA A 1 51  ? 14.460  17.657 30.324 1.000 16.282 0 49  ALA AAA O   1 ? 
ATOM   423  C CB  . ALA A 1 51  ? 15.086  15.854 28.126 1.000 16.774 0 49  ALA AAA CB  1 ? 
ATOM   424  N N   . ASP A 1 52  ? 13.855  15.827 31.480 1.000 16.108 0 50  ASP AAA N   1 ? 
ATOM   425  C CA  . ASP A 1 52  ? 12.784  16.455 32.300 1.000 17.614 0 50  ASP AAA CA  1 ? 
ATOM   426  C C   . ASP A 1 52  ? 11.770  17.141 31.384 1.000 15.866 0 50  ASP AAA C   1 ? 
ATOM   427  O O   . ASP A 1 52  ? 11.213  18.227 31.710 1.000 17.950 0 50  ASP AAA O   1 ? 
ATOM   428  C CB  . ASP A 1 52  ? 13.390  17.455 33.305 1.000 17.772 0 50  ASP AAA CB  1 ? 
ATOM   429  C CG  . ASP A 1 52  ? 12.407  17.921 34.342 1.000 22.202 0 50  ASP AAA CG  1 ? 
ATOM   430  O OD1 . ASP A 1 52  ? 11.550  17.102 34.744 1.000 24.933 0 50  ASP AAA OD1 1 ? 
ATOM   431  O OD2 . ASP A 1 52  ? 12.473  19.103 34.710 1.000 21.863 0 50  ASP AAA OD2 1 ? 
ATOM   432  N N   . ASN A 1 53  ? 11.445  16.498 30.254 1.000 15.412 0 51  ASN AAA N   1 ? 
ATOM   433  C CA  . ASN A 1 53  ? 10.441  17.035 29.316 1.000 15.659 0 51  ASN AAA CA  1 ? 
ATOM   434  C C   . ASN A 1 53  ? 9.503   15.904 28.870 1.000 15.874 0 51  ASN AAA C   1 ? 
ATOM   435  O O   . ASN A 1 53  ? 9.252   15.726 27.658 1.000 14.744 0 51  ASN AAA O   1 ? 
ATOM   436  C CB  . ASN A 1 53  ? 11.090  17.796 28.162 1.000 16.641 0 51  ASN AAA CB  1 ? 
ATOM   437  C CG  . ASN A 1 53  ? 10.062  18.578 27.377 1.000 18.608 0 51  ASN AAA CG  1 ? 
ATOM   438  O OD1 . ASN A 1 53  ? 9.150   19.187 27.937 1.000 21.831 0 51  ASN AAA OD1 1 ? 
ATOM   439  N ND2 . ASN A 1 53  ? 10.150  18.528 26.073 1.000 16.253 0 51  ASN AAA ND2 1 ? 
ATOM   440  N N   . ASP A 1 54  ? 9.019   15.140 29.833 1.000 15.936 0 52  ASP AAA N   1 ? 
ATOM   441  C CA  . ASP A 1 54  ? 8.082   14.034 29.508 1.000 16.050 0 52  ASP AAA CA  1 ? 
ATOM   442  C C   . ASP A 1 54  ? 6.702   14.629 29.208 1.000 16.463 0 52  ASP AAA C   1 ? 
ATOM   443  O O   . ASP A 1 54  ? 5.871   14.734 30.096 1.000 19.598 0 52  ASP AAA O   1 ? 
ATOM   444  C CB  . ASP A 1 54  ? 8.068   13.030 30.641 1.000 16.848 0 52  ASP AAA CB  1 ? 
ATOM   445  C CG  . ASP A 1 54  ? 7.335   11.754 30.309 1.000 21.434 0 52  ASP AAA CG  1 ? 
ATOM   446  O OD1 . ASP A 1 54  ? 7.041   11.545 29.091 1.000 19.667 0 52  ASP AAA OD1 1 ? 
ATOM   447  O OD2 . ASP A 1 54  ? 7.055   10.996 31.307 1.000 21.325 0 52  ASP AAA OD2 1 ? 
ATOM   448  N N   . TRP A 1 55  ? 6.412   14.925 27.945 1.000 15.095 0 53  TRP AAA N   1 ? 
ATOM   449  C CA  . TRP A 1 55  ? 5.335   15.860 27.578 1.000 14.933 0 53  TRP AAA CA  1 ? 
ATOM   450  C C   . TRP A 1 55  ? 4.160   15.201 26.861 1.000 14.019 0 53  TRP AAA C   1 ? 
ATOM   451  O O   . TRP A 1 55  ? 3.173   15.904 26.553 1.000 13.716 0 53  TRP AAA O   1 ? 
ATOM   452  C CB  . TRP A 1 55  ? 5.908   17.011 26.763 1.000 15.107 0 53  TRP AAA CB  1 ? 
ATOM   453  C CG  . TRP A 1 55  ? 6.390   16.696 25.381 1.000 15.130 0 53  TRP AAA CG  1 ? 
ATOM   454  C CD1 . TRP A 1 55  ? 7.629   16.258 25.024 1.000 15.536 0 53  TRP AAA CD1 1 ? 
ATOM   455  C CD2 . TRP A 1 55  ? 5.641   16.842 24.153 1.000 13.770 0 53  TRP AAA CD2 1 ? 
ATOM   456  N NE1 . TRP A 1 55  ? 7.708   16.123 23.656 1.000 14.203 0 53  TRP AAA NE1 1 ? 
ATOM   457  C CE2 . TRP A 1 55  ? 6.511   16.472 23.104 1.000 13.424 0 53  TRP AAA CE2 1 ? 
ATOM   458  C CE3 . TRP A 1 55  ? 4.329   17.249 23.833 1.000 14.782 0 53  TRP AAA CE3 1 ? 
ATOM   459  C CZ2 . TRP A 1 55  ? 6.115   16.539 21.775 1.000 14.933 0 53  TRP AAA CZ2 1 ? 
ATOM   460  C CZ3 . TRP A 1 55  ? 3.933   17.312 22.513 1.000 14.367 0 53  TRP AAA CZ3 1 ? 
ATOM   461  C CH2 . TRP A 1 55  ? 4.817   16.941 21.506 1.000 13.904 0 53  TRP AAA CH2 1 ? 
ATOM   462  N N   . PHE A 1 56  ? 4.171   13.883 26.621 1.000 15.534 0 54  PHE AAA N   1 ? 
ATOM   463  C CA  . PHE A 1 56  ? 3.002   13.258 25.967 1.000 15.494 0 54  PHE AAA CA  1 ? 
ATOM   464  C C   . PHE A 1 56  ? 2.939   11.764 26.283 1.000 15.521 0 54  PHE AAA C   1 ? 
ATOM   465  O O   . PHE A 1 56  ? 3.937   11.165 26.631 1.000 15.873 0 54  PHE AAA O   1 ? 
ATOM   466  C CB  . PHE A 1 56  ? 3.024   13.449 24.454 1.000 14.997 0 54  PHE AAA CB  1 ? 
ATOM   467  C CG  . PHE A 1 56  ? 3.991   12.549 23.748 1.000 15.718 0 54  PHE AAA CG  1 ? 
ATOM   468  C CD1 . PHE A 1 56  ? 5.341   12.883 23.605 1.000 14.791 0 54  PHE AAA CD1 1 ? 
ATOM   469  C CD2 . PHE A 1 56  ? 3.572   11.315 23.272 1.000 16.655 0 54  PHE AAA CD2 1 ? 
ATOM   470  C CE1 . PHE A 1 56  ? 6.223   12.003 23.016 1.000 18.254 0 54  PHE AAA CE1 1 ? 
ATOM   471  C CE2 . PHE A 1 56  ? 4.459   10.465 22.628 1.000 17.683 0 54  PHE AAA CE2 1 ? 
ATOM   472  C CZ  . PHE A 1 56  ? 5.780   10.801 22.494 1.000 18.119 0 54  PHE AAA CZ  1 ? 
ATOM   473  N N   . ARG A 1 57  ? 1.739   11.238 26.121 1.000 15.963 0 55  ARG AAA N   1 ? 
ATOM   474  C CA  . ARG A 1 57  ? 1.476   9.774  26.045 1.000 17.874 0 55  ARG AAA CA  1 ? 
ATOM   475  C C   . ARG A 1 57  ? 0.582   9.526  24.831 1.000 18.716 0 55  ARG AAA C   1 ? 
ATOM   476  O O   . ARG A 1 57  ? -0.341  10.326 24.572 1.000 18.076 0 55  ARG AAA O   1 ? 
ATOM   477  C CB  . ARG A 1 57  ? 0.743   9.283  27.289 1.000 19.041 0 55  ARG AAA CB  1 ? 
ATOM   478  C CG  . ARG A 1 57  ? 1.582   9.286  28.542 1.000 19.951 0 55  ARG AAA CG  1 ? 
ATOM   479  C CD  . ARG A 1 57  ? 2.587   8.164  28.551 1.000 20.787 0 55  ARG AAA CD  1 ? 
ATOM   480  N NE  . ARG A 1 57  ? 3.444   8.141  29.740 1.000 24.169 0 55  ARG AAA NE  1 ? 
ATOM   481  C CZ  . ARG A 1 57  ? 4.554   8.869  29.856 1.000 25.230 0 55  ARG AAA CZ  1 ? 
ATOM   482  N NH1 . ARG A 1 57  ? 4.885   9.717  28.906 1.000 20.448 0 55  ARG AAA NH1 1 ? 
ATOM   483  N NH2 . ARG A 1 57  ? 5.306   8.791  30.942 1.000 27.394 0 55  ARG AAA NH2 1 ? 
ATOM   484  N N   . LEU A 1 58  ? 0.786   8.406  24.139 1.000 18.339 0 56  LEU AAA N   1 ? 
ATOM   485  C CA  . LEU A 1 58  ? -0.073  8.042  22.989 1.000 16.345 0 56  LEU AAA CA  1 ? 
ATOM   486  C C   . LEU A 1 58  ? -0.404  6.540  23.069 1.000 17.521 0 56  LEU AAA C   1 ? 
ATOM   487  O O   . LEU A 1 58  ? 0.450   5.746  23.512 1.000 17.831 0 56  LEU AAA O   1 ? 
ATOM   488  C CB  . LEU A 1 58  ? 0.642   8.329  21.670 1.000 17.117 0 56  LEU AAA CB  1 ? 
ATOM   489  C CG  . LEU A 1 58  ? 0.566   9.753  21.106 1.000 17.748 0 56  LEU AAA CG  1 ? 
ATOM   490  C CD1 . LEU A 1 58  ? 1.474   9.881  19.900 1.000 19.207 0 56  LEU AAA CD1 1 ? 
ATOM   491  C CD2 . LEU A 1 58  ? -0.864  10.172 20.753 1.000 17.703 0 56  LEU AAA CD2 1 ? 
ATOM   492  N N   . GLU A 1 59  ? -1.627  6.202  22.683 1.000 17.841 0 57  GLU AAA N   1 ? 
ATOM   493  C CA  . GLU A 1 59  ? -2.031  4.798  22.450 1.000 18.730 0 57  GLU AAA CA  1 ? 
ATOM   494  C C   . GLU A 1 59  ? -2.734  4.724  21.098 1.000 18.230 0 57  GLU AAA C   1 ? 
ATOM   495  O O   . GLU A 1 59  ? -3.099  5.761  20.529 1.000 16.293 0 57  GLU AAA O   1 ? 
ATOM   496  C CB  . GLU A 1 59  ? -2.899  4.238  23.575 1.000 24.067 0 57  GLU AAA CB  1 ? 
ATOM   497  C CG  . GLU A 1 59  ? -4.283  4.836  23.685 1.000 27.317 0 57  GLU AAA CG  1 ? 
ATOM   498  C CD  . GLU A 1 59  ? -5.096  4.196  24.814 1.000 33.816 0 57  GLU AAA CD  1 ? 
ATOM   499  O OE1 . GLU A 1 59  ? -5.600  3.069  24.637 1.000 35.040 0 57  GLU AAA OE1 1 ? 
ATOM   500  O OE2 . GLU A 1 59  ? -5.195  4.804  25.873 1.000 39.343 0 57  GLU AAA OE2 1 ? 
ATOM   501  N N   . SER A 1 60  ? -2.846  3.515  20.569 1.000 16.627 0 58  SER AAA N   1 ? 
ATOM   502  C CA  . SER A 1 60  ? -3.525  3.289  19.296 1.000 16.762 0 58  SER AAA CA  1 ? 
ATOM   503  C C   . SER A 1 60  ? -4.599  2.223  19.500 1.000 16.256 0 58  SER AAA C   1 ? 
ATOM   504  O O   . SER A 1 60  ? -4.555  1.455  20.497 1.000 17.074 0 58  SER AAA O   1 ? 
ATOM   505  C CB  . SER A 1 60  ? -2.544  2.917  18.188 1.000 18.150 0 58  SER AAA CB  1 ? 
ATOM   506  O OG  . SER A 1 60  ? -2.112  1.564  18.240 1.000 18.635 0 58  SER AAA OG  1 ? 
ATOM   507  N N   . ASN A 1 61  ? -5.477  2.149  18.537 1.000 15.696 0 59  ASN AAA N   1 ? 
ATOM   508  C CA  . ASN A 1 61  ? -6.375  0.988  18.383 1.000 16.303 0 59  ASN AAA CA  1 ? 
ATOM   509  C C   . ASN A 1 61  ? -5.533  -0.242 17.988 1.000 16.014 0 59  ASN AAA C   1 ? 
ATOM   510  O O   . ASN A 1 61  ? -4.301  -0.144 17.692 1.000 16.689 0 59  ASN AAA O   1 ? 
ATOM   511  C CB  . ASN A 1 61  ? -7.521  1.340  17.443 1.000 17.311 0 59  ASN AAA CB  1 ? 
ATOM   512  C CG  . ASN A 1 61  ? -7.090  1.643  16.030 1.000 17.081 0 59  ASN AAA CG  1 ? 
ATOM   513  O OD1 . ASN A 1 61  ? -5.892  1.674  15.700 1.000 15.254 0 59  ASN AAA OD1 1 ? 
ATOM   514  N ND2 . ASN A 1 61  ? -8.062  1.855  15.170 1.000 18.047 0 59  ASN AAA ND2 1 ? 
ATOM   515  N N   . LYS A 1 62  ? -6.177  -1.405 17.872 1.000 17.571 0 60  LYS AAA N   1 ? 
ATOM   516  C CA  . LYS A 1 62  ? -5.429  -2.650 17.567 1.000 18.561 0 60  LYS AAA CA  1 ? 
ATOM   517  C C   . LYS A 1 62  ? -4.732  -2.525 16.210 1.000 17.159 0 60  LYS AAA C   1 ? 
ATOM   518  O O   . LYS A 1 62  ? -3.573  -2.966 16.089 1.000 21.226 0 60  LYS AAA O   1 ? 
ATOM   519  C CB  . LYS A 1 62  ? -6.392  -3.852 17.604 1.000 22.065 0 60  LYS AAA CB  1 ? 
ATOM   520  C CG  . LYS A 1 62  ? -5.712  -5.163 17.214 1.000 26.857 0 60  LYS AAA CG  1 ? 
ATOM   521  C CD  . LYS A 1 62  ? -6.485  -6.377 17.689 1.000 33.563 0 60  LYS AAA CD  1 ? 
ATOM   522  C CE  . LYS A 1 62  ? -5.833  -7.678 17.281 1.000 41.125 0 60  LYS AAA CE  1 ? 
ATOM   523  N NZ  . LYS A 1 62  ? -5.716  -7.766 15.807 1.000 45.046 0 60  LYS AAA NZ  1 ? 
ATOM   524  N N   . GLU A 1 63  ? -5.377  -1.959 15.189 1.000 16.553 0 61  GLU AAA N   1 ? 
ATOM   525  C CA  . GLU A 1 63  ? -4.839  -1.887 13.816 1.000 19.988 0 61  GLU AAA CA  1 ? 
ATOM   526  C C   . GLU A 1 63  ? -3.838  -0.732 13.659 1.000 20.240 0 61  GLU AAA C   1 ? 
ATOM   527  O O   . GLU A 1 63  ? -3.233  -0.635 12.585 1.000 21.239 0 61  GLU AAA O   1 ? 
ATOM   528  C CB  . GLU A 1 63  ? -5.956  -1.747 12.787 1.000 24.555 0 61  GLU AAA CB  1 ? 
ATOM   529  C CG  . GLU A 1 63  ? -6.846  -2.992 12.730 1.000 31.210 0 61  GLU AAA CG  1 ? 
ATOM   530  C CD  . GLU A 1 63  ? -6.118  -4.306 12.479 1.000 43.616 0 61  GLU AAA CD  1 ? 
ATOM   531  O OE1 . GLU A 1 63  ? -5.297  -4.345 11.528 1.000 50.792 0 61  GLU AAA OE1 1 ? 
ATOM   532  O OE2 . GLU A 1 63  ? -6.358  -5.289 13.254 1.000 48.703 0 61  GLU AAA OE2 1 ? 
ATOM   533  N N   . GLY A 1 64  ? -3.660  0.108  14.681 1.000 17.507 0 62  GLY AAA N   1 ? 
ATOM   534  C CA  . GLY A 1 64  ? -2.693  1.226  14.625 1.000 18.048 0 62  GLY AAA CA  1 ? 
ATOM   535  C C   . GLY A 1 64  ? -3.119  2.366  13.700 1.000 17.812 0 62  GLY AAA C   1 ? 
ATOM   536  O O   . GLY A 1 64  ? -2.239  3.130  13.246 1.000 17.353 0 62  GLY AAA O   1 ? 
ATOM   537  N N   . THR A 1 65  ? -4.399  2.469  13.384 1.000 17.196 0 63  THR AAA N   1 ? 
ATOM   538  C CA  . THR A 1 65  ? -4.957  3.433  12.400 1.000 17.354 0 63  THR AAA CA  1 ? 
ATOM   539  C C   . THR A 1 65  ? -5.533  4.655  13.090 1.000 18.007 0 63  THR AAA C   1 ? 
ATOM   540  O O   . THR A 1 65  ? -5.782  5.680  12.404 1.000 21.417 0 63  THR AAA O   1 ? 
ATOM   541  C CB  . THR A 1 65  ? -6.010  2.767  11.515 1.000 20.692 0 63  THR AAA CB  1 ? 
ATOM   542  O OG1 . THR A 1 65  ? -7.066  2.278  12.338 1.000 17.816 0 63  THR AAA OG1 1 ? 
ATOM   543  C CG2 . THR A 1 65  ? -5.410  1.655  10.684 1.000 21.724 0 63  THR AAA CG2 1 ? 
ATOM   544  N N   . ARG A 1 66  ? -5.804  4.550  14.383 1.000 17.195 0 64  ARG AAA N   1 ? 
ATOM   545  C CA  . ARG A 1 66  ? -6.296  5.683  15.182 1.000 17.003 0 64  ARG AAA CA  1 ? 
ATOM   546  C C   . ARG A 1 66  ? -5.493  5.785  16.476 1.000 15.800 0 64  ARG AAA C   1 ? 
ATOM   547  O O   . ARG A 1 66  ? -5.315  4.800  17.166 1.000 15.598 0 64  ARG AAA O   1 ? 
ATOM   548  C CB  . ARG A 1 66  ? -7.785  5.525  15.477 1.000 22.073 0 64  ARG AAA CB  1 ? 
ATOM   549  C CG  . ARG A 1 66  ? -8.354  6.693  16.256 1.000 31.978 0 64  ARG AAA CG  1 ? 
ATOM   550  C CD  . ARG A 1 66  ? -9.809  6.908  15.871 1.000 37.969 0 64  ARG AAA CD  1 ? 
ATOM   551  N NE  . ARG A 1 66  ? -10.493 7.821  16.767 1.000 41.281 0 64  ARG AAA NE  1 ? 
ATOM   552  C CZ  . ARG A 1 66  ? -10.633 9.126  16.556 1.000 46.611 0 64  ARG AAA CZ  1 ? 
ATOM   553  N NH1 . ARG A 1 66  ? -10.100 9.698  15.484 1.000 47.871 0 64  ARG AAA NH1 1 ? 
ATOM   554  N NH2 . ARG A 1 66  ? -11.302 9.856  17.431 1.000 45.811 0 64  ARG AAA NH2 1 ? 
ATOM   555  N N   . TRP A 1 67  ? -4.988  6.985  16.733 1.000 14.858 0 65  TRP AAA N   1 ? 
ATOM   556  C CA  . TRP A 1 67  ? -4.129  7.312  17.881 1.000 15.313 0 65  TRP AAA CA  1 ? 
ATOM   557  C C   . TRP A 1 67  ? -4.789  8.370  18.754 1.000 17.657 0 65  TRP AAA C   1 ? 
ATOM   558  O O   . TRP A 1 67  ? -5.469  9.261  18.248 1.000 17.292 0 65  TRP AAA O   1 ? 
ATOM   559  C CB  . TRP A 1 67  ? -2.754  7.765  17.400 1.000 14.220 0 65  TRP AAA CB  1 ? 
ATOM   560  C CG  . TRP A 1 67  ? -2.034  6.692  16.662 1.000 14.149 0 65  TRP AAA CG  1 ? 
ATOM   561  C CD1 . TRP A 1 67  ? -2.283  6.224  15.406 1.000 14.747 0 65  TRP AAA CD1 1 ? 
ATOM   562  C CD2 . TRP A 1 67  ? -0.947  5.906  17.171 1.000 15.004 0 65  TRP AAA CD2 1 ? 
ATOM   563  N NE1 . TRP A 1 67  ? -1.403  5.218  15.090 1.000 16.167 0 65  TRP AAA NE1 1 ? 
ATOM   564  C CE2 . TRP A 1 67  ? -0.618  4.969  16.179 1.000 15.335 0 65  TRP AAA CE2 1 ? 
ATOM   565  C CE3 . TRP A 1 67  ? -0.243  5.886  18.381 1.000 16.141 0 65  TRP AAA CE3 1 ? 
ATOM   566  C CZ2 . TRP A 1 67  ? 0.445   4.083  16.323 1.000 16.182 0 65  TRP AAA CZ2 1 ? 
ATOM   567  C CZ3 . TRP A 1 67  ? 0.759   4.954  18.545 1.000 16.479 0 65  TRP AAA CZ3 1 ? 
ATOM   568  C CH2 . TRP A 1 67  ? 1.089   4.067  17.533 1.000 16.007 0 65  TRP AAA CH2 1 ? 
ATOM   569  N N   . PHE A 1 68  ? -4.599  8.229  20.055 1.000 17.044 0 66  PHE AAA N   1 ? 
ATOM   570  C CA  . PHE A 1 68  ? -5.151  9.198  21.007 1.000 18.351 0 66  PHE AAA CA  1 ? 
ATOM   571  C C   . PHE A 1 68  ? -4.267  9.152  22.240 1.000 18.295 0 66  PHE AAA C   1 ? 
ATOM   572  O O   . PHE A 1 68  ? -3.615  8.168  22.511 1.000 19.721 0 66  PHE AAA O   1 ? 
ATOM   573  C CB  . PHE A 1 68  ? -6.627  8.870  21.286 1.000 21.158 0 66  PHE AAA CB  1 ? 
ATOM   574  C CG  . PHE A 1 68  ? -6.914  7.428  21.600 1.000 24.077 0 66  PHE AAA CG  1 ? 
ATOM   575  C CD1 . PHE A 1 68  ? -7.036  6.503  20.580 1.000 27.360 0 66  PHE AAA CD1 1 ? 
ATOM   576  C CD2 . PHE A 1 68  ? -7.095  7.015  22.906 1.000 30.922 0 66  PHE AAA CD2 1 ? 
ATOM   577  C CE1 . PHE A 1 68  ? -7.314  5.169  20.865 1.000 30.384 0 66  PHE AAA CE1 1 ? 
ATOM   578  C CE2 . PHE A 1 68  ? -7.385  5.687  23.193 1.000 34.348 0 66  PHE AAA CE2 1 ? 
ATOM   579  C CZ  . PHE A 1 68  ? -7.478  4.765  22.172 1.000 29.476 0 66  PHE AAA CZ  1 ? 
ATOM   580  N N   . GLY A 1 69  ? -4.267  10.249 22.962 1.000 17.077 0 67  GLY AAA N   1 ? 
ATOM   581  C CA  . GLY A 1 69  ? -3.559  10.361 24.226 1.000 16.373 0 67  GLY AAA CA  1 ? 
ATOM   582  C C   . GLY A 1 69  ? -3.654  11.774 24.752 1.000 16.231 0 67  GLY AAA C   1 ? 
ATOM   583  O O   . GLY A 1 69  ? -4.714  12.448 24.608 1.000 18.221 0 67  GLY AAA O   1 ? 
ATOM   584  N N   . LYS A 1 70  ? -2.574  12.189 25.383 1.000 17.112 0 68  LYS AAA N   1 ? 
ATOM   585  C CA  . LYS A 1 70  ? -2.501  13.477 26.119 1.000 17.863 0 68  LYS AAA CA  1 ? 
ATOM   586  C C   . LYS A 1 70  ? -1.143  14.113 25.884 1.000 16.914 0 68  LYS AAA C   1 ? 
ATOM   587  O O   . LYS A 1 70  ? -0.153  13.418 25.729 1.000 15.412 0 68  LYS AAA O   1 ? 
ATOM   588  C CB  . LYS A 1 70  ? -2.704  13.226 27.615 1.000 22.372 0 68  LYS AAA CB  1 ? 
ATOM   589  C CG  . LYS A 1 70  ? -4.109  12.760 27.988 1.000 27.455 0 68  LYS AAA CG  1 ? 
ATOM   590  C CD  . LYS A 1 70  ? -4.233  12.413 29.443 1.000 31.064 0 68  LYS AAA CD  1 ? 
ATOM   591  C CE  . LYS A 1 70  ? -5.615  11.891 29.757 1.000 34.476 0 68  LYS AAA CE  1 ? 
ATOM   592  N NZ  . LYS A 1 70  ? -5.718  11.446 31.164 1.000 40.760 0 68  LYS AAA NZ  1 ? 
ATOM   593  N N   . CYS A 1 71  ? -1.130  15.447 25.874 1.000 15.767 0 69  CYS AAA N   1 ? 
ATOM   594  C CA  . CYS A 1 71  ? 0.128   16.192 25.995 1.000 16.716 0 69  CYS AAA CA  1 ? 
ATOM   595  C C   . CYS A 1 71  ? 0.034   17.143 27.197 1.000 16.723 0 69  CYS AAA C   1 ? 
ATOM   596  O O   . CYS A 1 71  ? -1.092  17.484 27.598 1.000 15.114 0 69  CYS AAA O   1 ? 
ATOM   597  C CB  . CYS A 1 71  ? 0.474   16.887 24.684 1.000 17.228 0 69  CYS AAA CB  1 ? 
ATOM   598  S SG  . CYS A 1 71  ? -0.602  18.253 24.192 1.000 18.264 0 69  CYS AAA SG  1 ? 
ATOM   599  N N   . TRP A 1 72  ? 1.187   17.518 27.720 1.000 16.144 0 70  TRP AAA N   1 ? 
ATOM   600  C CA  . TRP A 1 72  ? 1.319   18.451 28.871 1.000 19.147 0 70  TRP AAA CA  1 ? 
ATOM   601  C C   . TRP A 1 72  ? 2.205   19.613 28.429 1.000 18.298 0 70  TRP AAA C   1 ? 
ATOM   602  O O   . TRP A 1 72  ? 3.172   19.412 27.651 1.000 18.976 0 70  TRP AAA O   1 ? 
ATOM   603  C CB  . TRP A 1 72  ? 1.878   17.732 30.092 1.000 20.230 0 70  TRP AAA CB  1 ? 
ATOM   604  C CG  . TRP A 1 72  ? 0.962   16.680 30.618 1.000 22.911 0 70  TRP AAA CG  1 ? 
ATOM   605  C CD1 . TRP A 1 72  ? -0.068  16.853 31.500 1.000 24.560 0 70  TRP AAA CD1 1 ? 
ATOM   606  C CD2 . TRP A 1 72  ? 0.948   15.287 30.264 1.000 23.741 0 70  TRP AAA CD2 1 ? 
ATOM   607  N NE1 . TRP A 1 72  ? -0.688  15.650 31.759 1.000 24.828 0 70  TRP AAA NE1 1 ? 
ATOM   608  C CE2 . TRP A 1 72  ? -0.104  14.677 31.003 1.000 23.483 0 70  TRP AAA CE2 1 ? 
ATOM   609  C CE3 . TRP A 1 72  ? 1.734   14.489 29.434 1.000 23.007 0 70  TRP AAA CE3 1 ? 
ATOM   610  C CZ2 . TRP A 1 72  ? -0.389  13.315 30.910 1.000 25.671 0 70  TRP AAA CZ2 1 ? 
ATOM   611  C CZ3 . TRP A 1 72  ? 1.464   13.145 29.358 1.000 25.119 0 70  TRP AAA CZ3 1 ? 
ATOM   612  C CH2 . TRP A 1 72  ? 0.411   12.568 30.075 1.000 27.092 0 70  TRP AAA CH2 1 ? 
ATOM   613  N N   . TYR A 1 73  ? 1.913   20.793 28.947 1.000 16.310 0 71  TYR AAA N   1 ? 
ATOM   614  C CA  . TYR A 1 73  ? 2.668   22.022 28.631 1.000 15.588 0 71  TYR AAA CA  1 ? 
ATOM   615  C C   . TYR A 1 73  ? 2.804   22.808 29.941 1.000 16.448 0 71  TYR AAA C   1 ? 
ATOM   616  O O   . TYR A 1 73  ? 1.802   23.015 30.641 1.000 16.056 0 71  TYR AAA O   1 ? 
ATOM   617  C CB  . TYR A 1 73  ? 1.983   22.856 27.548 1.000 16.697 0 71  TYR AAA CB  1 ? 
ATOM   618  C CG  . TYR A 1 73  ? 2.861   23.993 27.108 1.000 17.407 0 71  TYR AAA CG  1 ? 
ATOM   619  C CD1 . TYR A 1 73  ? 3.863   23.800 26.164 1.000 19.284 0 71  TYR AAA CD1 1 ? 
ATOM   620  C CD2 . TYR A 1 73  ? 2.759   25.234 27.688 1.000 17.169 0 71  TYR AAA CD2 1 ? 
ATOM   621  C CE1 . TYR A 1 73  ? 4.757   24.813 25.852 1.000 19.606 0 71  TYR AAA CE1 1 ? 
ATOM   622  C CE2 . TYR A 1 73  ? 3.638   26.264 27.384 1.000 18.292 0 71  TYR AAA CE2 1 ? 
ATOM   623  C CZ  . TYR A 1 73  ? 4.634   26.057 26.438 1.000 18.629 0 71  TYR AAA CZ  1 ? 
ATOM   624  O OH  . TYR A 1 73  ? 5.512   27.064 26.153 1.000 21.423 0 71  TYR AAA OH  1 ? 
ATOM   625  N N   . ILE A 1 74  ? 4.033   23.202 30.270 1.000 16.309 0 72  ILE AAA N   1 ? 
ATOM   626  C CA  . ILE A 1 74  ? 4.316   23.962 31.512 1.000 17.730 0 72  ILE AAA CA  1 ? 
ATOM   627  C C   . ILE A 1 74  ? 4.453   25.421 31.102 1.000 15.640 0 72  ILE AAA C   1 ? 
ATOM   628  O O   . ILE A 1 74  ? 5.266   25.740 30.207 1.000 14.944 0 72  ILE AAA O   1 ? 
ATOM   629  C CB  . ILE A 1 74  ? 5.539   23.394 32.269 1.000 20.764 0 72  ILE AAA CB  1 ? 
ATOM   630  C CG1 . ILE A 1 74  ? 5.270   21.921 32.633 1.000 26.725 0 72  ILE AAA CG1 1 ? 
ATOM   631  C CG2 . ILE A 1 74  ? 5.852   24.228 33.518 1.000 21.765 0 72  ILE AAA CG2 1 ? 
ATOM   632  C CD1 . ILE A 1 74  ? 6.344   21.234 33.448 1.000 32.952 0 72  ILE AAA CD1 1 ? 
ATOM   633  N N   . HIS A 1 75  ? 3.719   26.291 31.772 1.000 14.045 0 73  HIS AAA N   1 ? 
ATOM   634  C CA  . HIS A 1 75  ? 3.831   27.758 31.596 1.000 15.209 0 73  HIS AAA CA  1 ? 
ATOM   635  C C   . HIS A 1 75  ? 3.835   28.422 32.977 1.000 16.609 0 73  HIS AAA C   1 ? 
ATOM   636  O O   . HIS A 1 75  ? 2.853   28.244 33.729 1.000 14.611 0 73  HIS AAA O   1 ? 
ATOM   637  C CB  . HIS A 1 75  ? 2.701   28.295 30.713 1.000 15.995 0 73  HIS AAA CB  1 ? 
ATOM   638  C CG  . HIS A 1 75  ? 2.885   29.712 30.317 1.000 18.444 0 73  HIS AAA CG  1 ? 
ATOM   639  N ND1 . HIS A 1 75  ? 3.884   30.094 29.404 1.000 20.306 0 73  HIS AAA ND1 1 ? 
ATOM   640  C CD2 . HIS A 1 75  ? 2.261   30.839 30.736 1.000 21.159 0 73  HIS AAA CD2 1 ? 
ATOM   641  C CE1 . HIS A 1 75  ? 3.814   31.407 29.235 1.000 21.709 0 73  HIS AAA CE1 1 ? 
ATOM   642  N NE2 . HIS A 1 75  ? 2.875   31.902 30.087 1.000 21.609 0 73  HIS AAA NE2 1 ? 
ATOM   643  N N   . ASP A 1 76  ? 4.885   29.192 33.266 1.000 15.808 0 74  ASP AAA N   1 ? 
ATOM   644  C CA  . ASP A 1 76  ? 5.049   29.832 34.601 1.000 17.263 0 74  ASP AAA CA  1 ? 
ATOM   645  C C   . ASP A 1 76  ? 4.824   28.788 35.707 1.000 17.817 0 74  ASP AAA C   1 ? 
ATOM   646  O O   . ASP A 1 76  ? 4.161   29.095 36.741 1.000 15.683 0 74  ASP AAA O   1 ? 
ATOM   647  C CB  . ASP A 1 76  ? 4.169   31.076 34.742 1.000 17.360 0 74  ASP AAA CB  1 ? 
ATOM   648  C CG  . ASP A 1 76  ? 4.392   32.177 33.718 1.000 19.532 0 74  ASP AAA CG  1 ? 
ATOM   649  O OD1 . ASP A 1 76  ? 5.474   32.227 33.140 1.000 21.692 0 74  ASP AAA OD1 1 ? 
ATOM   650  O OD2 . ASP A 1 76  ? 3.459   32.926 33.464 1.000 22.502 0 74  ASP AAA OD2 1 ? 
ATOM   651  N N   . LEU A 1 77  ? 5.405   27.601 35.531 1.000 16.459 0 75  LEU AAA N   1 ? 
ATOM   652  C CA  . LEU A 1 77  ? 5.418   26.474 36.477 1.000 16.181 0 75  LEU AAA CA  1 ? 
ATOM   653  C C   . LEU A 1 77  ? 4.057   25.792 36.649 1.000 17.332 0 75  LEU AAA C   1 ? 
ATOM   654  O O   . LEU A 1 77  ? 4.013   24.771 37.374 1.000 19.139 0 75  LEU AAA O   1 ? 
ATOM   655  C CB  . LEU A 1 77  ? 5.982   26.921 37.825 1.000 17.527 0 75  LEU AAA CB  1 ? 
ATOM   656  C CG  . LEU A 1 77  ? 7.474   27.212 37.814 1.000 17.267 0 75  LEU AAA CG  1 ? 
ATOM   657  C CD1 . LEU A 1 77  ? 7.926   27.594 39.205 1.000 16.902 0 75  LEU AAA CD1 1 ? 
ATOM   658  C CD2 . LEU A 1 77  ? 8.274   26.044 37.309 1.000 18.747 0 75  LEU AAA CD2 1 ? 
ATOM   659  N N   . LEU A 1 78  ? 3.003   26.224 35.972 1.000 16.009 0 76  LEU AAA N   1 ? 
ATOM   660  C CA  . LEU A 1 78  ? 1.708   25.503 36.008 1.000 16.296 0 76  LEU AAA CA  1 ? 
ATOM   661  C C   . LEU A 1 78  ? 1.651   24.534 34.837 1.000 15.560 0 76  LEU AAA C   1 ? 
ATOM   662  O O   . LEU A 1 78  ? 2.032   24.907 33.718 1.000 15.195 0 76  LEU AAA O   1 ? 
ATOM   663  C CB  . LEU A 1 78  ? 0.578   26.513 35.955 1.000 15.789 0 76  LEU AAA CB  1 ? 
ATOM   664  C CG  . LEU A 1 78  ? 0.448   27.378 37.213 1.000 16.490 0 76  LEU AAA CG  1 ? 
ATOM   665  C CD1 . LEU A 1 78  ? -0.676  28.364 37.020 1.000 18.815 0 76  LEU AAA CD1 1 ? 
ATOM   666  C CD2 . LEU A 1 78  ? 0.301   26.525 38.457 1.000 18.925 0 76  LEU AAA CD2 1 ? 
ATOM   667  N N   . LYS A 1 79  ? 1.163   23.330 35.093 1.000 16.654 0 77  LYS AAA N   1 ? 
ATOM   668  C CA  . LYS A 1 79  ? 1.063   22.276 34.054 1.000 17.742 0 77  LYS AAA CA  1 ? 
ATOM   669  C C   . LYS A 1 79  ? -0.345  22.242 33.461 1.000 17.121 0 77  LYS AAA C   1 ? 
ATOM   670  O O   . LYS A 1 79  ? -1.348  22.126 34.217 1.000 18.159 0 77  LYS AAA O   1 ? 
ATOM   671  C CB  . LYS A 1 79  ? 1.464   20.920 34.635 1.000 22.612 0 77  LYS AAA CB  1 ? 
ATOM   672  C CG  . LYS A 1 79  ? 1.397   19.780 33.625 1.000 28.516 0 77  LYS AAA CG  1 ? 
ATOM   673  C CD  . LYS A 1 79  ? 1.580   18.424 34.283 1.000 35.622 0 77  LYS AAA CD  1 ? 
ATOM   674  C CE  . LYS A 1 79  ? 2.974   18.236 34.821 1.000 41.153 0 77  LYS AAA CE  1 ? 
ATOM   675  N NZ  . LYS A 1 79  ? 3.186   16.834 35.251 1.000 49.405 0 77  LYS AAA NZ  1 ? 
ATOM   676  N N   . TYR A 1 80  ? -0.427  22.274 32.142 1.000 16.415 0 78  TYR AAA N   1 ? 
ATOM   677  C CA  . TYR A 1 80  ? -1.682  22.244 31.359 1.000 16.957 0 78  TYR AAA CA  1 ? 
ATOM   678  C C   . TYR A 1 80  ? -1.739  20.927 30.603 1.000 17.960 0 78  TYR AAA C   1 ? 
ATOM   679  O O   . TYR A 1 80  ? -0.725  20.617 29.933 1.000 21.519 0 78  TYR AAA O   1 ? 
ATOM   680  C CB  . TYR A 1 80  ? -1.782  23.437 30.418 1.000 16.951 0 78  TYR AAA CB  1 ? 
ATOM   681  C CG  . TYR A 1 80  ? -1.795  24.786 31.113 1.000 15.419 0 78  TYR AAA CG  1 ? 
ATOM   682  C CD1 . TYR A 1 80  ? -0.637  25.352 31.599 1.000 15.454 0 78  TYR AAA CD1 1 ? 
ATOM   683  C CD2 . TYR A 1 80  ? -2.978  25.476 31.300 1.000 16.879 0 78  TYR AAA CD2 1 ? 
ATOM   684  C CE1 . TYR A 1 80  ? -0.626  26.583 32.243 1.000 14.947 0 78  TYR AAA CE1 1 ? 
ATOM   685  C CE2 . TYR A 1 80  ? -2.992  26.688 31.976 1.000 17.832 0 78  TYR AAA CE2 1 ? 
ATOM   686  C CZ  . TYR A 1 80  ? -1.820  27.247 32.450 1.000 15.938 0 78  TYR AAA CZ  1 ? 
ATOM   687  O OH  . TYR A 1 80  ? -1.860  28.471 33.081 1.000 16.861 0 78  TYR AAA OH  1 ? 
ATOM   688  N N   . GLU A 1 81  ? -2.883  20.239 30.643 1.000 18.714 0 79  GLU AAA N   1 ? 
ATOM   689  C CA  . GLU A 1 81  ? -3.044  18.937 29.951 1.000 17.339 0 79  GLU AAA CA  1 ? 
ATOM   690  C C   . GLU A 1 81  ? -4.061  19.105 28.827 1.000 18.119 0 79  GLU AAA C   1 ? 
ATOM   691  O O   . GLU A 1 81  ? -5.098  19.765 29.027 1.000 16.250 0 79  GLU AAA O   1 ? 
ATOM   692  C CB  . GLU A 1 81  ? -3.488  17.876 30.952 1.000 20.069 0 79  GLU AAA CB  1 ? 
ATOM   693  C CG  . GLU A 1 81  ? -3.785  16.493 30.385 1.000 22.352 0 79  GLU AAA CG  1 ? 
ATOM   694  C CD  . GLU A 1 81  ? -4.281  15.561 31.506 1.000 30.925 0 79  GLU AAA CD  1 ? 
ATOM   695  O OE1 . GLU A 1 81  ? -3.467  15.266 32.439 1.000 30.566 0 79  GLU AAA OE1 1 ? 
ATOM   696  O OE2 . GLU A 1 81  ? -5.489  15.171 31.500 1.000 34.405 0 79  GLU AAA OE2 1 ? 
ATOM   697  N N   . PHE A 1 82  ? -3.796  18.521 27.642 1.000 16.846 0 80  PHE AAA N   1 ? 
ATOM   698  C CA  . PHE A 1 82  ? -4.711  18.582 26.498 1.000 17.622 0 80  PHE AAA CA  1 ? 
ATOM   699  C C   . PHE A 1 82  ? -4.796  17.190 25.864 1.000 18.743 0 80  PHE AAA C   1 ? 
ATOM   700  O O   . PHE A 1 82  ? -3.750  16.532 25.623 1.000 18.117 0 80  PHE AAA O   1 ? 
ATOM   701  C CB  . PHE A 1 82  ? -4.264  19.592 25.440 1.000 19.410 0 80  PHE AAA CB  1 ? 
ATOM   702  C CG  . PHE A 1 82  ? -3.933  20.965 25.970 1.000 20.023 0 80  PHE AAA CG  1 ? 
ATOM   703  C CD1 . PHE A 1 82  ? -4.924  21.918 26.107 1.000 21.652 0 80  PHE AAA CD1 1 ? 
ATOM   704  C CD2 . PHE A 1 82  ? -2.631  21.297 26.328 1.000 20.866 0 80  PHE AAA CD2 1 ? 
ATOM   705  C CE1 . PHE A 1 82  ? -4.619  23.167 26.648 1.000 20.945 0 80  PHE AAA CE1 1 ? 
ATOM   706  C CE2 . PHE A 1 82  ? -2.333  22.548 26.861 1.000 20.317 0 80  PHE AAA CE2 1 ? 
ATOM   707  C CZ  . PHE A 1 82  ? -3.330  23.482 27.006 1.000 19.769 0 80  PHE AAA CZ  1 ? 
ATOM   708  N N   . ASP A 1 83  ? -6.035  16.724 25.673 1.000 17.188 0 81  ASP AAA N   1 ? 
ATOM   709  C CA  . ASP A 1 83  ? -6.277  15.485 24.910 1.000 16.194 0 81  ASP AAA CA  1 ? 
ATOM   710  C C   . ASP A 1 83  ? -5.918  15.714 23.439 1.000 15.359 0 81  ASP AAA C   1 ? 
ATOM   711  O O   . ASP A 1 83  ? -6.195  16.796 22.884 1.000 18.150 0 81  ASP AAA O   1 ? 
ATOM   712  C CB  . ASP A 1 83  ? -7.721  15.026 25.079 1.000 20.095 0 81  ASP AAA CB  1 ? 
ATOM   713  C CG  . ASP A 1 83  ? -8.071  14.499 26.469 1.000 24.485 0 81  ASP AAA CG  1 ? 
ATOM   714  O OD1 . ASP A 1 83  ? -7.201  14.360 27.322 1.000 29.078 0 81  ASP AAA OD1 1 ? 
ATOM   715  O OD2 . ASP A 1 83  ? -9.248  14.189 26.682 1.000 34.173 0 81  ASP AAA OD2 1 ? 
ATOM   716  N N   . ILE A 1 84  ? -5.268  14.744 22.833 1.000 15.471 0 82  ILE AAA N   1 ? 
ATOM   717  C CA  . ILE A 1 84  ? -4.889  14.797 21.391 1.000 15.040 0 82  ILE AAA CA  1 ? 
ATOM   718  C C   . ILE A 1 84  ? -5.383  13.522 20.697 1.000 16.824 0 82  ILE AAA C   1 ? 
ATOM   719  O O   . ILE A 1 84  ? -5.502  12.474 21.362 1.000 16.771 0 82  ILE AAA O   1 ? 
ATOM   720  C CB  . ILE A 1 84  ? -3.362  14.986 21.239 1.000 17.316 0 82  ILE AAA CB  1 ? 
ATOM   721  C CG1 . ILE A 1 84  ? -2.580  13.829 21.867 1.000 17.403 0 82  ILE AAA CG1 1 ? 
ATOM   722  C CG2 . ILE A 1 84  ? -2.931  16.343 21.794 1.000 16.495 0 82  ILE AAA CG2 1 ? 
ATOM   723  C CD1 . ILE A 1 84  ? -1.060  13.925 21.685 1.000 18.253 0 82  ILE AAA CD1 1 ? 
ATOM   724  N N   . GLU A 1 85  ? -5.584  13.609 19.390 1.000 16.331 0 83  GLU AAA N   1 ? 
ATOM   725  C CA  . GLU A 1 85  ? -5.986  12.429 18.601 1.000 16.967 0 83  GLU AAA CA  1 ? 
ATOM   726  C C   . GLU A 1 85  ? -5.680  12.677 17.133 1.000 16.916 0 83  GLU AAA C   1 ? 
ATOM   727  O O   . GLU A 1 85  ? -5.571  13.831 16.683 1.000 16.898 0 83  GLU AAA O   1 ? 
ATOM   728  C CB  . GLU A 1 85  ? -7.484  12.111 18.762 1.000 18.761 0 83  GLU AAA CB  1 ? 
ATOM   729  C CG  . GLU A 1 85  ? -8.413  13.259 18.405 1.000 21.435 0 83  GLU AAA CG  1 ? 
ATOM   730  C CD  . GLU A 1 85  ? -9.899  12.963 18.641 1.000 23.904 0 83  GLU AAA CD  1 ? 
ATOM   731  O OE1 . GLU A 1 85  ? -10.266 12.671 19.751 1.000 23.873 0 83  GLU AAA OE1 1 ? 
ATOM   732  O OE2 . GLU A 1 85  ? -10.665 13.024 17.682 1.000 30.190 0 83  GLU AAA OE2 1 ? 
ATOM   733  N N   . PHE A 1 86  ? -5.532  11.587 16.386 1.000 16.320 0 84  PHE AAA N   1 ? 
ATOM   734  C CA  . PHE A 1 86  ? -5.358  11.655 14.922 1.000 17.163 0 84  PHE AAA CA  1 ? 
ATOM   735  C C   . PHE A 1 86  ? -5.629  10.293 14.315 1.000 18.563 0 84  PHE AAA C   1 ? 
ATOM   736  O O   . PHE A 1 86  ? -5.376  9.251  14.985 1.000 17.326 0 84  PHE AAA O   1 ? 
ATOM   737  C CB  . PHE A 1 86  ? -3.974  12.170 14.515 1.000 16.534 0 84  PHE AAA CB  1 ? 
ATOM   738  C CG  . PHE A 1 86  ? -2.765  11.505 15.124 1.000 15.994 0 84  PHE AAA CG  1 ? 
ATOM   739  C CD1 . PHE A 1 86  ? -2.146  10.420 14.501 1.000 16.573 0 84  PHE AAA CD1 1 ? 
ATOM   740  C CD2 . PHE A 1 86  ? -2.262  11.896 16.361 1.000 15.991 0 84  PHE AAA CD2 1 ? 
ATOM   741  C CE1 . PHE A 1 86  ? -1.039  9.808  15.069 1.000 15.935 0 84  PHE AAA CE1 1 ? 
ATOM   742  C CE2 . PHE A 1 86  ? -1.151  11.285 16.907 1.000 16.886 0 84  PHE AAA CE2 1 ? 
ATOM   743  C CZ  . PHE A 1 86  ? -0.529  10.249 16.263 1.000 16.185 0 84  PHE AAA CZ  1 ? 
ATOM   744  N N   . ASP A 1 87  ? -6.092  10.331 13.060 1.000 18.314 0 85  ASP AAA N   1 ? 
ATOM   745  C CA  . ASP A 1 87  ? -6.198  9.137  12.187 1.000 21.239 0 85  ASP AAA CA  1 ? 
ATOM   746  C C   . ASP A 1 87  ? -4.935  9.048  11.332 1.000 19.308 0 85  ASP AAA C   1 ? 
ATOM   747  O O   . ASP A 1 87  ? -4.366  10.095 10.895 1.000 20.621 0 85  ASP AAA O   1 ? 
ATOM   748  C CB  . ASP A 1 87  ? -7.421  9.206  11.274 1.000 24.090 0 85  ASP AAA CB  1 ? 
ATOM   749  C CG  . ASP A 1 87  ? -8.730  9.333  12.028 1.000 32.459 0 85  ASP AAA CG  1 ? 
ATOM   750  O OD1 . ASP A 1 87  ? -8.786  8.894  13.189 1.000 40.297 0 85  ASP AAA OD1 1 ? 
ATOM   751  O OD2 . ASP A 1 87  ? -9.663  9.886  11.447 1.000 44.226 0 85  ASP AAA OD2 1 ? 
ATOM   752  N N   . ILE A 1 88  ? -4.549  7.821  10.982 1.000 17.715 0 86  ILE AAA N   1 ? 
ATOM   753  C CA  . ILE A 1 88  ? -3.486  7.580  9.976  1.000 17.407 0 86  ILE AAA CA  1 ? 
ATOM   754  C C   . ILE A 1 88  ? -4.099  7.627  8.580  1.000 19.757 0 86  ILE AAA C   1 ? 
ATOM   755  O O   . ILE A 1 88  ? -5.008  6.836  8.294  1.000 19.958 0 86  ILE AAA O   1 ? 
ATOM   756  C CB  . ILE A 1 88  ? -2.778  6.244  10.225 1.000 16.196 0 86  ILE AAA CB  1 ? 
ATOM   757  C CG1 . ILE A 1 88  ? -2.156  6.172  11.634 1.000 17.035 0 86  ILE AAA CG1 1 ? 
ATOM   758  C CG2 . ILE A 1 88  ? -1.749  6.011  9.146  1.000 17.003 0 86  ILE AAA CG2 1 ? 
ATOM   759  C CD1 . ILE A 1 88  ? -1.089  7.239  11.967 1.000 17.203 0 86  ILE AAA CD1 1 ? 
ATOM   760  N N   . PRO A 1 89  ? -3.630  8.546  7.716  1.000 20.406 0 87  PRO AAA N   1 ? 
ATOM   761  C CA  . PRO A 1 89  ? -4.082  8.597  6.330  1.000 22.684 0 87  PRO AAA CA  1 ? 
ATOM   762  C C   . PRO A 1 89  ? -3.733  7.293  5.596  1.000 20.610 0 87  PRO AAA C   1 ? 
ATOM   763  O O   . PRO A 1 89  ? -2.703  6.698  5.849  1.000 19.867 0 87  PRO AAA O   1 ? 
ATOM   764  C CB  . PRO A 1 89  ? -3.307  9.761  5.700  1.000 23.183 0 87  PRO AAA CB  1 ? 
ATOM   765  C CG  . PRO A 1 89  ? -2.678  10.519 6.810  1.000 24.483 0 87  PRO AAA CG  1 ? 
ATOM   766  C CD  . PRO A 1 89  ? -2.611  9.574  7.998  1.000 21.369 0 87  PRO AAA CD  1 ? 
ATOM   767  N N   . ILE A 1 90  ? -4.563  6.914  4.625  1.000 21.229 0 88  ILE AAA N   1 ? 
ATOM   768  C CA  . ILE A 1 90  ? -4.279  5.716  3.796  1.000 19.870 0 88  ILE AAA CA  1 ? 
ATOM   769  C C   . ILE A 1 90  ? -2.931  5.855  3.100  1.000 17.753 0 88  ILE AAA C   1 ? 
ATOM   770  O O   . ILE A 1 90  ? -2.263  4.841  2.904  1.000 18.098 0 88  ILE AAA O   1 ? 
ATOM   771  C CB  . ILE A 1 90  ? -5.451  5.497  2.817  1.000 24.506 0 88  ILE AAA CB  1 ? 
ATOM   772  C CG1 . ILE A 1 90  ? -6.757  5.245  3.571  1.000 25.740 0 88  ILE AAA CG1 1 ? 
ATOM   773  C CG2 . ILE A 1 90  ? -5.124  4.410  1.825  1.000 27.424 0 88  ILE AAA CG2 1 ? 
ATOM   774  C CD1 . ILE A 1 90  ? -6.764  3.984  4.420  1.000 30.192 0 88  ILE AAA CD1 1 ? 
ATOM   775  N N   . THR A 1 91  ? -2.491  7.077  2.747  1.000 18.688 0 89  THR AAA N   1 ? 
ATOM   776  C CA  . THR A 1 91  ? -1.227  7.327  2.024  1.000 19.420 0 89  THR AAA CA  1 ? 
ATOM   777  C C   . THR A 1 91  ? -0.051  7.642  2.974  1.000 17.485 0 89  THR AAA C   1 ? 
ATOM   778  O O   . THR A 1 91  ? 1.059   7.980  2.478  1.000 19.557 0 89  THR AAA O   1 ? 
ATOM   779  C CB  . THR A 1 91  ? -1.458  8.492  1.057  1.000 22.373 0 89  THR AAA CB  1 ? 
ATOM   780  O OG1 . THR A 1 91  ? -2.034  9.510  1.854  1.000 27.523 0 89  THR AAA OG1 1 ? 
ATOM   781  C CG2 . THR A 1 91  ? -2.456  8.123  -0.019 1.000 25.836 0 89  THR AAA CG2 1 ? 
ATOM   782  N N   . TYR A 1 92  ? -0.235  7.408  4.271  1.000 16.832 0 90  TYR AAA N   1 ? 
ATOM   783  C CA  . TYR A 1 92  ? 0.886   7.406  5.236  1.000 14.605 0 90  TYR AAA CA  1 ? 
ATOM   784  C C   . TYR A 1 92  ? 1.877   6.345  4.793  1.000 16.448 0 90  TYR AAA C   1 ? 
ATOM   785  O O   . TYR A 1 92  ? 1.399   5.302  4.401  1.000 18.252 0 90  TYR AAA O   1 ? 
ATOM   786  C CB  . TYR A 1 92  ? 0.317   7.124  6.626  1.000 15.044 0 90  TYR AAA CB  1 ? 
ATOM   787  C CG  . TYR A 1 92  ? 1.313   7.279  7.749  1.000 15.782 0 90  TYR AAA CG  1 ? 
ATOM   788  C CD1 . TYR A 1 92  ? 1.640   8.535  8.248  1.000 15.039 0 90  TYR AAA CD1 1 ? 
ATOM   789  C CD2 . TYR A 1 92  ? 1.955   6.190  8.321  1.000 14.321 0 90  TYR AAA CD2 1 ? 
ATOM   790  C CE1 . TYR A 1 92  ? 2.555   8.703  9.276  1.000 14.698 0 90  TYR AAA CE1 1 ? 
ATOM   791  C CE2 . TYR A 1 92  ? 2.882   6.344  9.340  1.000 14.523 0 90  TYR AAA CE2 1 ? 
ATOM   792  C CZ  . TYR A 1 92  ? 3.182   7.602  9.833  1.000 15.029 0 90  TYR AAA CZ  1 ? 
ATOM   793  O OH  . TYR A 1 92  ? 4.093   7.781  10.826 1.000 13.296 0 90  TYR AAA OH  1 ? 
ATOM   794  N N   . PRO A 1 93  ? 3.221   6.513  4.934  1.000 15.980 0 91  PRO AAA N   1 ? 
ATOM   795  C CA  . PRO A 1 93  ? 3.847   7.634  5.612  1.000 15.328 0 91  PRO AAA CA  1 ? 
ATOM   796  C C   . PRO A 1 93  ? 4.282   8.799  4.711  1.000 17.436 0 91  PRO AAA C   1 ? 
ATOM   797  O O   . PRO A 1 93  ? 4.969   9.714  5.153  1.000 17.675 0 91  PRO AAA O   1 ? 
ATOM   798  C CB  . PRO A 1 93  ? 5.112   6.994  6.205  1.000 16.394 0 91  PRO AAA CB  1 ? 
ATOM   799  C CG  . PRO A 1 93  ? 5.520   6.007  5.145  1.000 18.880 0 91  PRO AAA CG  1 ? 
ATOM   800  C CD  . PRO A 1 93  ? 4.214   5.462  4.630  1.000 18.164 0 91  PRO AAA CD  1 ? 
ATOM   801  N N   . THR A 1 94  ? 3.899   8.762  3.440  1.000 16.981 0 92  THR AAA N   1 ? 
ATOM   802  C CA  . THR A 1 94  ? 4.156   9.893  2.515  1.000 18.699 0 92  THR AAA CA  1 ? 
ATOM   803  C C   . THR A 1 94  ? 3.375   11.104 2.960  1.000 19.753 0 92  THR AAA C   1 ? 
ATOM   804  O O   . THR A 1 94  ? 3.955   12.246 2.855  1.000 23.430 0 92  THR AAA O   1 ? 
ATOM   805  C CB  . THR A 1 94  ? 3.869   9.479  1.064  1.000 20.231 0 92  THR AAA CB  1 ? 
ATOM   806  O OG1 . THR A 1 94  ? 4.873   8.537  0.708  1.000 25.419 0 92  THR AAA OG1 1 ? 
ATOM   807  C CG2 . THR A 1 94  ? 3.905   10.634 0.087  1.000 25.036 0 92  THR AAA CG2 1 ? 
ATOM   808  N N   . THR A 1 95  ? 2.143   10.914 3.417  1.000 19.171 0 93  THR AAA N   1 ? 
ATOM   809  C CA  . THR A 1 95  ? 1.249   11.970 3.904  1.000 21.634 0 93  THR AAA CA  1 ? 
ATOM   810  C C   . THR A 1 95  ? 1.391   12.013 5.422  1.000 21.933 0 93  THR AAA C   1 ? 
ATOM   811  O O   . THR A 1 95  ? 1.305   10.936 6.012  1.000 23.809 0 93  THR AAA O   1 ? 
ATOM   812  C CB  . THR A 1 95  ? -0.187  11.677 3.471  1.000 27.225 0 93  THR AAA CB  1 ? 
ATOM   813  O OG1 . THR A 1 95  ? -0.131  11.648 2.032  1.000 27.747 0 93  THR AAA OG1 1 ? 
ATOM   814  C CG2 . THR A 1 95  ? -1.182  12.696 3.968  1.000 28.329 0 93  THR AAA CG2 1 ? 
ATOM   815  N N   . ALA A 1 96  ? 1.540   13.191 6.019  1.000 18.863 0 94  ALA AAA N   1 ? 
ATOM   816  C CA  . ALA A 1 96  ? 1.576   13.369 7.487  1.000 19.914 0 94  ALA AAA CA  1 ? 
ATOM   817  C C   . ALA A 1 96  ? 0.168   13.328 8.088  1.000 20.278 0 94  ALA AAA C   1 ? 
ATOM   818  O O   . ALA A 1 96  ? -0.781  13.922 7.579  1.000 19.734 0 94  ALA AAA O   1 ? 
ATOM   819  C CB  . ALA A 1 96  ? 2.260   14.662 7.842  1.000 22.823 0 94  ALA AAA CB  1 ? 
ATOM   820  N N   . PRO A 1 97  ? -0.028  12.698 9.261  1.000 18.195 0 95  PRO AAA N   1 ? 
ATOM   821  C CA  . PRO A 1 97  ? -1.308  12.751 9.953  1.000 17.429 0 95  PRO AAA CA  1 ? 
ATOM   822  C C   . PRO A 1 97  ? -1.641  14.178 10.438 1.000 19.297 0 95  PRO AAA C   1 ? 
ATOM   823  O O   . PRO A 1 97  ? -0.700  14.949 10.618 1.000 19.171 0 95  PRO AAA O   1 ? 
ATOM   824  C CB  . PRO A 1 97  ? -1.149  11.795 11.141 1.000 18.627 0 95  PRO AAA CB  1 ? 
ATOM   825  C CG  . PRO A 1 97  ? 0.094   10.971 10.785 1.000 17.772 0 95  PRO AAA CG  1 ? 
ATOM   826  C CD  . PRO A 1 97  ? 0.963   11.887 9.975  1.000 19.560 0 95  PRO AAA CD  1 ? 
ATOM   827  N N   . GLU A 1 98  ? -2.926  14.495 10.563 1.000 17.841 0 96  GLU AAA N   1 ? 
ATOM   828  C CA  . GLU A 1 98  ? -3.416  15.804 11.089 1.000 20.013 0 96  GLU AAA CA  1 ? 
ATOM   829  C C   . GLU A 1 98  ? -3.760  15.642 12.563 1.000 17.458 0 96  GLU AAA C   1 ? 
ATOM   830  O O   . GLU A 1 98  ? -4.774  15.030 12.898 1.000 18.021 0 96  GLU AAA O   1 ? 
ATOM   831  C CB  . GLU A 1 98  ? -4.619  16.306 10.301 1.000 22.440 0 96  GLU AAA CB  1 ? 
ATOM   832  C CG  . GLU A 1 98  ? -4.346  16.419 8.825  1.000 24.594 0 96  GLU AAA CG  1 ? 
ATOM   833  C CD  . GLU A 1 98  ? -5.517  16.899 7.985  1.000 30.480 0 96  GLU AAA CD  1 ? 
ATOM   834  O OE1 . GLU A 1 98  ? -6.616  17.005 8.497  1.000 36.787 0 96  GLU AAA OE1 1 ? 
ATOM   835  O OE2 . GLU A 1 98  ? -5.288  17.181 6.797  1.000 47.997 0 96  GLU AAA OE2 1 ? 
ATOM   836  N N   . ILE A 1 99  ? -2.972  16.255 13.436 1.000 16.941 0 97  ILE AAA N   1 ? 
ATOM   837  C CA  . ILE A 1 99  ? -3.212  16.184 14.905 1.000 15.957 0 97  ILE AAA CA  1 ? 
ATOM   838  C C   . ILE A 1 99  ? -4.339  17.156 15.276 1.000 16.331 0 97  ILE AAA C   1 ? 
ATOM   839  O O   . ILE A 1 99  ? -4.325  18.347 14.847 1.000 18.734 0 97  ILE AAA O   1 ? 
ATOM   840  C CB  . ILE A 1 99  ? -1.925  16.510 15.674 1.000 17.326 0 97  ILE AAA CB  1 ? 
ATOM   841  C CG1 . ILE A 1 99  ? -0.884  15.394 15.479 1.000 19.179 0 97  ILE AAA CG1 1 ? 
ATOM   842  C CG2 . ILE A 1 99  ? -2.195  16.744 17.160 1.000 18.072 0 97  ILE AAA CG2 1 ? 
ATOM   843  C CD1 . ILE A 1 99  ? 0.483   15.695 15.987 1.000 18.408 0 97  ILE AAA CD1 1 ? 
ATOM   844  N N   . ALA A 1 100 ? -5.277  16.655 16.045 1.000 16.880 0 98  ALA AAA N   1 ? 
ATOM   845  C CA  . ALA A 1 100 ? -6.394  17.440 16.599 1.000 18.107 0 98  ALA AAA CA  1 ? 
ATOM   846  C C   . ALA A 1 100 ? -6.196  17.549 18.105 1.000 19.690 0 98  ALA AAA C   1 ? 
ATOM   847  O O   . ALA A 1 100 ? -5.754  16.583 18.771 1.000 17.429 0 98  ALA AAA O   1 ? 
ATOM   848  C CB  . ALA A 1 100 ? -7.703  16.809 16.248 1.000 18.492 0 98  ALA AAA CB  1 ? 
ATOM   849  N N   . VAL A 1 101 ? -6.485  18.734 18.615 1.000 16.729 0 99  VAL AAA N   1 ? 
ATOM   850  C CA  . VAL A 1 101 ? -6.560  19.036 20.057 1.000 17.067 0 99  VAL AAA CA  1 ? 
ATOM   851  C C   . VAL A 1 101 ? -7.988  19.513 20.301 1.000 17.726 0 99  VAL AAA C   1 ? 
ATOM   852  O O   . VAL A 1 101 ? -8.271  20.733 20.258 1.000 16.459 0 99  VAL AAA O   1 ? 
ATOM   853  C CB  . VAL A 1 101 ? -5.513  20.098 20.439 1.000 17.174 0 99  VAL AAA CB  1 ? 
ATOM   854  C CG1 . VAL A 1 101 ? -5.452  20.292 21.932 1.000 18.809 0 99  VAL AAA CG1 1 ? 
ATOM   855  C CG2 . VAL A 1 101 ? -4.123  19.770 19.919 1.000 19.418 0 99  VAL AAA CG2 1 ? 
ATOM   856  N N   . PRO A 1 102 ? -8.944  18.575 20.439 1.000 18.071 0 100 PRO AAA N   1 ? 
ATOM   857  C CA  . PRO A 1 102 ? -10.362 18.937 20.318 1.000 20.391 0 100 PRO AAA CA  1 ? 
ATOM   858  C C   . PRO A 1 102 ? -10.821 20.017 21.298 1.000 19.563 0 100 PRO AAA C   1 ? 
ATOM   859  O O   . PRO A 1 102 ? -11.709 20.758 20.954 1.000 19.883 0 100 PRO AAA O   1 ? 
ATOM   860  C CB  . PRO A 1 102 ? -11.070 17.608 20.609 1.000 21.247 0 100 PRO AAA CB  1 ? 
ATOM   861  C CG  . PRO A 1 102 ? -10.102 16.547 20.127 1.000 23.760 0 100 PRO AAA CG  1 ? 
ATOM   862  C CD  . PRO A 1 102 ? -8.750  17.114 20.527 1.000 20.167 0 100 PRO AAA CD  1 ? 
ATOM   863  N N   . GLU A 1 103 ? -10.267 20.073 22.504 1.000 18.088 0 101 GLU AAA N   1 ? 
ATOM   864  C CA  . GLU A 1 103 ? -10.750 21.069 23.485 1.000 21.261 0 101 GLU AAA CA  1 ? 
ATOM   865  C C   . GLU A 1 103 ? -10.413 22.480 23.016 1.000 20.396 0 101 GLU AAA C   1 ? 
ATOM   866  O O   . GLU A 1 103 ? -11.083 23.412 23.495 1.000 22.499 0 101 GLU AAA O   1 ? 
ATOM   867  C CB  . GLU A 1 103 ? -10.250 20.809 24.904 1.000 25.742 0 101 GLU AAA CB  1 ? 
ATOM   868  C CG  . GLU A 1 103 ? -8.748  20.866 25.091 1.000 28.145 0 101 GLU AAA CG  1 ? 
ATOM   869  C CD  . GLU A 1 103 ? -8.255  20.047 26.285 1.000 34.935 0 101 GLU AAA CD  1 ? 
ATOM   870  O OE1 . GLU A 1 103 ? -8.166  18.757 26.210 1.000 28.704 0 101 GLU AAA OE1 1 ? 
ATOM   871  O OE2 . GLU A 1 103 ? -8.005  20.684 27.332 1.000 41.400 0 101 GLU AAA OE2 1 ? 
ATOM   872  N N   . LEU A 1 104 ? -9.479  22.671 22.088 1.000 18.533 0 102 LEU AAA N   1 ? 
ATOM   873  C CA  . LEU A 1 104 ? -9.137  24.036 21.600 1.000 18.523 0 102 LEU AAA CA  1 ? 
ATOM   874  C C   . LEU A 1 104 ? -9.857  24.376 20.286 1.000 18.793 0 102 LEU AAA C   1 ? 
ATOM   875  O O   . LEU A 1 104 ? -9.498  25.386 19.664 1.000 22.093 0 102 LEU AAA O   1 ? 
ATOM   876  C CB  . LEU A 1 104 ? -7.620  24.111 21.441 1.000 19.992 0 102 LEU AAA CB  1 ? 
ATOM   877  C CG  . LEU A 1 104 ? -6.794  23.910 22.699 1.000 21.100 0 102 LEU AAA CG  1 ? 
ATOM   878  C CD1 . LEU A 1 104 ? -5.296  24.082 22.413 1.000 22.687 0 102 LEU AAA CD1 1 ? 
ATOM   879  C CD2 . LEU A 1 104 ? -7.239  24.869 23.787 1.000 24.772 0 102 LEU AAA CD2 1 ? 
ATOM   880  N N   . ASP A 1 105 ? -10.840 23.579 19.864 1.000 19.222 0 103 ASP AAA N   1 ? 
ATOM   881  C CA  . ASP A 1 105 ? -11.625 23.827 18.633 1.000 20.401 0 103 ASP AAA CA  1 ? 
ATOM   882  C C   . ASP A 1 105 ? -12.278 25.210 18.766 1.000 20.329 0 103 ASP AAA C   1 ? 
ATOM   883  O O   . ASP A 1 105 ? -12.901 25.477 19.816 1.000 20.456 0 103 ASP AAA O   1 ? 
ATOM   884  C CB  . ASP A 1 105 ? -12.717 22.759 18.467 1.000 20.317 0 103 ASP AAA CB  1 ? 
ATOM   885  C CG  . ASP A 1 105 ? -13.523 22.830 17.172 1.000 21.394 0 103 ASP AAA CG  1 ? 
ATOM   886  O OD1 . ASP A 1 105 ? -13.037 23.438 16.200 1.000 23.647 0 103 ASP AAA OD1 1 ? 
ATOM   887  O OD2 . ASP A 1 105 ? -14.673 22.250 17.150 1.000 22.797 0 103 ASP AAA OD2 1 ? 
ATOM   888  N N   . GLY A 1 106 ? -12.168 26.039 17.734 1.000 28.147 0 104 GLY AAA N   1 ? 
ATOM   889  C CA  . GLY A 1 106 ? -13.019 27.243 17.614 1.000 33.279 0 104 GLY AAA CA  1 ? 
ATOM   890  C C   . GLY A 1 106 ? -12.258 28.544 17.445 1.000 41.772 0 104 GLY AAA C   1 ? 
ATOM   891  O O   . GLY A 1 106 ? -11.856 29.127 18.474 1.000 52.956 0 104 GLY AAA O   1 ? 
ATOM   892  N N   . LYS A 1 107 ? -12.182 29.015 16.196 1.000 44.098 0 105 LYS AAA N   1 ? 
ATOM   893  C CA  . LYS A 1 107 ? -11.619 30.315 15.729 1.000 43.052 0 105 LYS AAA CA  1 ? 
ATOM   894  C C   . LYS A 1 107 ? -10.476 30.794 16.637 1.000 44.048 0 105 LYS AAA C   1 ? 
ATOM   895  O O   . LYS A 1 107 ? -10.591 31.906 17.250 1.000 41.391 0 105 LYS AAA O   1 ? 
ATOM   896  C CB  . LYS A 1 107 ? -12.732 31.362 15.601 1.000 46.009 0 105 LYS AAA CB  1 ? 
ATOM   897  C CG  . LYS A 1 107 ? -12.325 32.633 14.869 1.000 51.670 0 105 LYS AAA CG  1 ? 
ATOM   898  C CD  . LYS A 1 107 ? -12.010 32.403 13.408 1.000 59.005 0 105 LYS AAA CD  1 ? 
ATOM   899  C CE  . LYS A 1 107 ? -13.149 32.795 12.494 1.000 66.999 0 105 LYS AAA CE  1 ? 
ATOM   900  N NZ  . LYS A 1 107 ? -13.247 34.269 12.375 1.000 74.045 0 105 LYS AAA NZ  1 ? 
ATOM   901  N N   . HIS A 1 108 ? -9.389  30.014 16.696 1.000 41.126 0 106 HIS AAA N   1 ? 
ATOM   902  C CA  . HIS A 1 108 ? -8.098  30.408 17.329 1.000 38.117 0 106 HIS AAA CA  1 ? 
ATOM   903  C C   . HIS A 1 108 ? -7.008  30.419 16.277 1.000 37.402 0 106 HIS AAA C   1 ? 
ATOM   904  O O   . HIS A 1 108 ? -7.087  29.661 15.311 1.000 37.917 0 106 HIS AAA O   1 ? 
ATOM   905  C CB  . HIS A 1 108 ? -7.699  29.461 18.453 1.000 38.292 0 106 HIS AAA CB  1 ? 
ATOM   906  C CG  . HIS A 1 108 ? -8.736  29.365 19.504 1.000 34.356 0 106 HIS AAA CG  1 ? 
ATOM   907  N ND1 . HIS A 1 108 ? -9.135  30.446 20.234 1.000 35.246 0 106 HIS AAA ND1 1 ? 
ATOM   908  C CD2 . HIS A 1 108 ? -9.436  28.312 19.966 1.000 39.826 0 106 HIS AAA CD2 1 ? 
ATOM   909  C CE1 . HIS A 1 108 ? -10.061 30.068 21.096 1.000 38.280 0 106 HIS AAA CE1 1 ? 
ATOM   910  N NE2 . HIS A 1 108 ? -10.250 28.752 20.964 1.000 36.109 0 106 HIS AAA NE2 1 ? 
ATOM   911  N N   . PRO A 1 109 ? -6.006  31.314 16.428 1.000 42.266 0 107 PRO AAA N   1 ? 
ATOM   912  C CA  . PRO A 1 109 ? -4.894  31.408 15.483 1.000 42.275 0 107 PRO AAA CA  1 ? 
ATOM   913  C C   . PRO A 1 109 ? -4.234  30.037 15.300 1.000 38.698 0 107 PRO AAA C   1 ? 
ATOM   914  O O   . PRO A 1 109 ? -4.121  29.320 16.274 1.000 39.364 0 107 PRO AAA O   1 ? 
ATOM   915  C CB  . PRO A 1 109 ? -3.905  32.375 16.148 1.000 46.788 0 107 PRO AAA CB  1 ? 
ATOM   916  C CG  . PRO A 1 109 ? -4.760  33.193 17.092 1.000 49.532 0 107 PRO AAA CG  1 ? 
ATOM   917  C CD  . PRO A 1 109 ? -5.867  32.263 17.547 1.000 46.459 0 107 PRO AAA CD  1 ? 
ATOM   918  N N   . ASN A 1 110 ? -3.850  29.718 14.064 1.000 35.204 0 108 ASN AAA N   1 ? 
ATOM   919  C CA  . ASN A 1 110 ? -3.024  28.537 13.685 1.000 32.564 0 108 ASN AAA CA  1 ? 
ATOM   920  C C   . ASN A 1 110 ? -3.799  27.240 13.985 1.000 26.771 0 108 ASN AAA C   1 ? 
ATOM   921  O O   . ASN A 1 110 ? -3.196  26.307 14.567 1.000 22.400 0 108 ASN AAA O   1 ? 
ATOM   922  C CB  . ASN A 1 110 ? -1.671  28.582 14.392 1.000 38.567 0 108 ASN AAA CB  1 ? 
ATOM   923  C CG  . ASN A 1 110 ? -0.916  29.879 14.160 1.000 40.310 0 108 ASN AAA CG  1 ? 
ATOM   924  O OD1 . ASN A 1 110 ? -0.502  30.534 15.105 1.000 46.434 0 108 ASN AAA OD1 1 ? 
ATOM   925  N ND2 . ASN A 1 110 ? -0.719  30.250 12.911 1.000 44.136 0 108 ASN AAA ND2 1 ? 
ATOM   926  N N   . MET A 1 111 ? -5.075  27.177 13.613 1.000 26.194 0 109 MET AAA N   1 ? 
ATOM   927  C CA  . MET A 1 111 ? -5.940  25.983 13.799 1.000 28.366 0 109 MET AAA CA  1 ? 
ATOM   928  C C   . MET A 1 111 ? -7.027  25.960 12.738 1.000 31.600 0 109 MET AAA C   1 ? 
ATOM   929  O O   . MET A 1 111 ? -7.459  27.038 12.330 1.000 32.448 0 109 MET AAA O   1 ? 
ATOM   930  C CB  . MET A 1 111 ? -6.646  26.012 15.155 1.000 33.923 0 109 MET AAA CB  1 ? 
ATOM   931  C CG  . MET A 1 111 ? -5.710  25.975 16.319 1.000 34.479 0 109 MET AAA CG  1 ? 
ATOM   932  S SD  . MET A 1 111 ? -6.546  25.499 17.847 1.000 38.345 0 109 MET AAA SD  1 ? 
ATOM   933  C CE  . MET A 1 111 ? -6.569  23.724 17.580 1.000 29.553 0 109 MET AAA CE  1 ? 
ATOM   934  N N   . TYR A 1 112 ? -7.489  24.765 12.389 1.000 30.396 0 110 TYR AAA N   1 ? 
ATOM   935  C CA  . TYR A 1 112 ? -8.636  24.515 11.486 1.000 32.558 0 110 TYR AAA CA  1 ? 
ATOM   936  C C   . TYR A 1 112 ? -9.797  23.980 12.327 1.000 31.924 0 110 TYR AAA C   1 ? 
ATOM   937  O O   . TYR A 1 112 ? -9.611  23.606 13.504 1.000 31.270 0 110 TYR AAA O   1 ? 
ATOM   938  C CB  . TYR A 1 112 ? -8.255  23.459 10.441 1.000 38.131 0 110 TYR AAA CB  1 ? 
ATOM   939  C CG  . TYR A 1 112 ? -7.091  23.810 9.558  1.000 45.371 0 110 TYR AAA CG  1 ? 
ATOM   940  C CD1 . TYR A 1 112 ? -7.228  24.772 8.571  1.000 51.834 0 110 TYR AAA CD1 1 ? 
ATOM   941  C CD2 . TYR A 1 112 ? -5.869  23.162 9.671  1.000 51.228 0 110 TYR AAA CD2 1 ? 
ATOM   942  C CE1 . TYR A 1 112 ? -6.180  25.099 7.727  1.000 53.086 0 110 TYR AAA CE1 1 ? 
ATOM   943  C CE2 . TYR A 1 112 ? -4.805  23.488 8.838  1.000 53.894 0 110 TYR AAA CE2 1 ? 
ATOM   944  C CZ  . TYR A 1 112 ? -4.967  24.452 7.856  1.000 54.001 0 110 TYR AAA CZ  1 ? 
ATOM   945  O OH  . TYR A 1 112 ? -3.942  24.798 7.020  1.000 63.580 0 110 TYR AAA OH  1 ? 
ATOM   946  N N   . ARG A 1 113 ? -10.968 23.877 11.714 1.000 29.833 0 111 ARG AAA N   1 ? 
ATOM   947  C CA  . ARG A 1 113 ? -12.169 23.305 12.385 1.000 33.240 0 111 ARG AAA CA  1 ? 
ATOM   948  C C   . ARG A 1 113 ? -11.841 21.904 12.926 1.000 34.669 0 111 ARG AAA C   1 ? 
ATOM   949  O O   . ARG A 1 113 ? -10.938 21.191 12.373 1.000 33.766 0 111 ARG AAA O   1 ? 
ATOM   950  C CB  . ARG A 1 113 ? -13.341 23.264 11.403 1.000 37.409 0 111 ARG AAA CB  1 ? 
ATOM   951  C CG  . ARG A 1 113 ? -13.918 24.632 11.061 1.000 39.578 0 111 ARG AAA CG  1 ? 
ATOM   952  C CD  . ARG A 1 113 ? -15.170 24.512 10.178 1.000 41.397 0 111 ARG AAA CD  1 ? 
ATOM   953  N NE  . ARG A 1 113 ? -15.791 25.813 9.909  1.000 39.398 0 111 ARG AAA NE  1 ? 
ATOM   954  C CZ  . ARG A 1 113 ? -15.263 26.775 9.153  1.000 43.688 0 111 ARG AAA CZ  1 ? 
ATOM   955  N NH1 . ARG A 1 113 ? -14.101 26.589 8.544  1.000 44.475 0 111 ARG AAA NH1 1 ? 
ATOM   956  N NH2 . ARG A 1 113 ? -15.915 27.915 8.970  1.000 43.696 0 111 ARG AAA NH2 1 ? 
ATOM   957  N N   . GLY A 1 114 ? -12.513 21.506 14.008 1.000 29.618 0 112 GLY AAA N   1 ? 
ATOM   958  C CA  . GLY A 1 114 ? -12.238 20.212 14.652 1.000 31.072 0 112 GLY AAA CA  1 ? 
ATOM   959  C C   . GLY A 1 114 ? -11.037 20.295 15.576 1.000 29.959 0 112 GLY AAA C   1 ? 
ATOM   960  O O   . GLY A 1 114 ? -10.656 19.278 16.185 1.000 32.044 0 112 GLY AAA O   1 ? 
ATOM   961  N N   . GLY A 1 115 ? -10.468 21.481 15.734 1.000 24.374 0 113 GLY AAA N   1 ? 
ATOM   962  C CA  . GLY A 1 115 ? -9.287  21.671 16.579 1.000 26.298 0 113 GLY AAA CA  1 ? 
ATOM   963  C C   . GLY A 1 115 ? -8.065  21.042 15.940 1.000 22.747 0 113 GLY AAA C   1 ? 
ATOM   964  O O   . GLY A 1 115 ? -7.120  20.681 16.692 1.000 24.579 0 113 GLY AAA O   1 ? 
ATOM   965  N N   . LYS A 1 116 ? -8.015  20.930 14.610 1.000 21.188 0 114 LYS AAA N   1 ? 
ATOM   966  C CA  . LYS A 1 116 ? -6.756  20.474 13.942 1.000 23.419 0 114 LYS AAA CA  1 ? 
ATOM   967  C C   . LYS A 1 116 ? -5.715  21.590 14.013 1.000 23.125 0 114 LYS AAA C   1 ? 
ATOM   968  O O   . LYS A 1 116 ? -6.012  22.716 13.604 1.000 24.355 0 114 LYS AAA O   1 ? 
ATOM   969  C CB  . LYS A 1 116 ? -6.994  20.037 12.505 1.000 26.880 0 114 LYS AAA CB  1 ? 
ATOM   970  C CG  . LYS A 1 116 ? -7.924  18.835 12.387 1.000 33.949 0 114 LYS AAA CG  1 ? 
ATOM   971  C CD  . LYS A 1 116 ? -8.068  18.344 10.975 1.000 44.168 0 114 LYS AAA CD  1 ? 
ATOM   972  C CE  . LYS A 1 116 ? -9.315  17.512 10.744 1.000 52.997 0 114 LYS AAA CE  1 ? 
ATOM   973  N NZ  . LYS A 1 116 ? -9.242  16.222 11.468 1.000 56.836 0 114 LYS AAA NZ  1 ? 
ATOM   974  N N   . ILE A 1 117 ? -4.505  21.260 14.435 1.000 20.398 0 115 ILE AAA N   1 ? 
ATOM   975  C CA  . ILE A 1 117 ? -3.420  22.263 14.520 1.000 19.476 0 115 ILE AAA CA  1 ? 
ATOM   976  C C   . ILE A 1 117 ? -2.981  22.584 13.095 1.000 20.380 0 115 ILE AAA C   1 ? 
ATOM   977  O O   . ILE A 1 117 ? -3.029  21.694 12.200 1.000 21.521 0 115 ILE AAA O   1 ? 
ATOM   978  C CB  . ILE A 1 117 ? -2.293  21.807 15.453 1.000 21.320 0 115 ILE AAA CB  1 ? 
ATOM   979  C CG1 . ILE A 1 117 ? -1.419  20.714 14.841 1.000 21.483 0 115 ILE AAA CG1 1 ? 
ATOM   980  C CG2 . ILE A 1 117 ? -2.837  21.390 16.820 1.000 21.454 0 115 ILE AAA CG2 1 ? 
ATOM   981  C CD1 . ILE A 1 117 ? -0.206  20.387 15.719 1.000 21.517 0 115 ILE AAA CD1 1 ? 
ATOM   982  N N   . CYS A 1 118 ? -2.668  23.851 12.859 1.000 20.628 0 116 CYS AAA N   1 ? 
ATOM   983  C CA  . CYS A 1 118 ? -2.153  24.322 11.567 1.000 22.246 0 116 CYS AAA CA  1 ? 
ATOM   984  C C   . CYS A 1 118 ? -0.671  24.581 11.795 1.000 24.852 0 116 CYS AAA C   1 ? 
ATOM   985  O O   . CYS A 1 118 ? -0.317  25.458 12.632 1.000 25.643 0 116 CYS AAA O   1 ? 
ATOM   986  C CB  . CYS A 1 118 ? -2.905  25.570 11.135 1.000 27.334 0 116 CYS AAA CB  1 ? 
ATOM   987  S SG  . CYS A 1 118 ? -2.502  26.044 9.445  1.000 40.804 0 116 CYS AAA SG  1 ? 
ATOM   988  N N   . LEU A 1 119 ? 0.162   23.838 11.103 1.000 23.815 0 117 LEU AAA N   1 ? 
ATOM   989  C CA  . LEU A 1 119 ? 1.628   24.018 11.204 1.000 26.718 0 117 LEU AAA CA  1 ? 
ATOM   990  C C   . LEU A 1 119 ? 2.040   25.017 10.134 1.000 26.945 0 117 LEU AAA C   1 ? 
ATOM   991  O O   . LEU A 1 119 ? 1.291   25.205 9.163  1.000 25.553 0 117 LEU AAA O   1 ? 
ATOM   992  C CB  . LEU A 1 119 ? 2.328   22.673 11.038 1.000 24.101 0 117 LEU AAA CB  1 ? 
ATOM   993  C CG  . LEU A 1 119 ? 2.002   21.611 12.094 1.000 27.439 0 117 LEU AAA CG  1 ? 
ATOM   994  C CD1 . LEU A 1 119 ? 2.874   20.380 11.929 1.000 29.025 0 117 LEU AAA CD1 1 ? 
ATOM   995  C CD2 . LEU A 1 119 ? 2.143   22.164 13.503 1.000 27.724 0 117 LEU AAA CD2 1 ? 
ATOM   996  N N   . THR A 1 120 ? 3.236   25.579 10.256 1.000 26.669 0 118 THR AAA N   1 ? 
ATOM   997  C CA  . THR A 1 120 ? 3.781   26.466 9.214  1.000 23.895 0 118 THR AAA CA  1 ? 
ATOM   998  C C   . THR A 1 120 ? 4.072   25.672 7.948  1.000 21.200 0 118 THR AAA C   1 ? 
ATOM   999  O O   . THR A 1 120 ? 4.222   24.428 8.008  1.000 20.982 0 118 THR AAA O   1 ? 
ATOM   1000 C CB  . THR A 1 120 ? 5.051   27.180 9.681  1.000 24.428 0 118 THR AAA CB  1 ? 
ATOM   1001 O OG1 . THR A 1 120 ? 6.110   26.235 9.725  1.000 24.230 0 118 THR AAA OG1 1 ? 
ATOM   1002 C CG2 . THR A 1 120 ? 4.852   27.848 11.027 1.000 28.282 0 118 THR AAA CG2 1 ? 
ATOM   1003 N N   . ASP A 1 121 ? 4.293   26.400 6.853  1.000 20.470 0 119 ASP AAA N   1 ? 
ATOM   1004 C CA  . ASP A 1 121 ? 4.570   25.793 5.527  1.000 21.789 0 119 ASP AAA CA  1 ? 
ATOM   1005 C C   . ASP A 1 121 ? 5.882   25.034 5.458  1.000 23.406 0 119 ASP AAA C   1 ? 
ATOM   1006 O O   . ASP A 1 121 ? 6.051   24.278 4.506  1.000 29.328 0 119 ASP AAA O   1 ? 
ATOM   1007 C CB  . ASP A 1 121 ? 4.703   26.838 4.425  1.000 24.982 0 119 ASP AAA CB  1 ? 
ATOM   1008 C CG  . ASP A 1 121 ? 3.369   27.187 3.831  1.000 28.727 0 119 ASP AAA CG  1 ? 
ATOM   1009 O OD1 . ASP A 1 121 ? 2.368   26.531 4.245  1.000 29.213 0 119 ASP AAA OD1 1 ? 
ATOM   1010 O OD2 . ASP A 1 121 ? 3.355   28.108 2.973  1.000 28.089 0 119 ASP AAA OD2 1 ? 
ATOM   1011 N N   . HIS A 1 122 ? 6.839   25.280 6.331  1.000 20.501 0 120 HIS AAA N   1 ? 
ATOM   1012 C CA  . HIS A 1 122 ? 8.145   24.593 6.282  1.000 22.666 0 120 HIS AAA CA  1 ? 
ATOM   1013 C C   . HIS A 1 122 ? 8.022   23.121 6.743  1.000 19.482 0 120 HIS AAA C   1 ? 
ATOM   1014 O O   . HIS A 1 122 ? 8.835   22.317 6.314  1.000 18.161 0 120 HIS AAA O   1 ? 
ATOM   1015 C CB  . HIS A 1 122 ? 9.161   25.425 7.067  1.000 28.528 0 120 HIS AAA CB  1 ? 
ATOM   1016 C CG  . HIS A 1 122 ? 9.694   26.584 6.283  1.000 34.225 0 120 HIS AAA CG  1 ? 
ATOM   1017 N ND1 . HIS A 1 122 ? 11.041  26.857 6.213  1.000 43.600 0 120 HIS AAA ND1 1 ? 
ATOM   1018 C CD2 . HIS A 1 122 ? 9.084   27.512 5.511  1.000 40.214 0 120 HIS AAA CD2 1 ? 
ATOM   1019 C CE1 . HIS A 1 122 ? 11.243  27.916 5.449  1.000 46.159 0 120 HIS AAA CE1 1 ? 
ATOM   1020 N NE2 . HIS A 1 122 ? 10.059  28.339 5.010  1.000 42.914 0 120 HIS AAA NE2 1 ? 
ATOM   1021 N N   . PHE A 1 123 ? 7.021   22.775 7.540  1.000 18.251 0 121 PHE AAA N   1 ? 
ATOM   1022 C CA  . PHE A 1 123 ? 6.862   21.400 8.070  1.000 17.558 0 121 PHE AAA CA  1 ? 
ATOM   1023 C C   . PHE A 1 123 ? 6.553   20.408 6.942  1.000 18.010 0 121 PHE AAA C   1 ? 
ATOM   1024 O O   . PHE A 1 123 ? 7.173   19.357 6.893  1.000 16.870 0 121 PHE AAA O   1 ? 
ATOM   1025 C CB  . PHE A 1 123 ? 5.726   21.274 9.081  1.000 17.787 0 121 PHE AAA CB  1 ? 
ATOM   1026 C CG  . PHE A 1 123 ? 5.601   19.875 9.637  1.000 17.589 0 121 PHE AAA CG  1 ? 
ATOM   1027 C CD1 . PHE A 1 123 ? 6.408   19.452 10.682 1.000 19.037 0 121 PHE AAA CD1 1 ? 
ATOM   1028 C CD2 . PHE A 1 123 ? 4.758   18.955 9.053  1.000 18.001 0 121 PHE AAA CD2 1 ? 
ATOM   1029 C CE1 . PHE A 1 123 ? 6.342   18.148 11.143 1.000 18.705 0 121 PHE AAA CE1 1 ? 
ATOM   1030 C CE2 . PHE A 1 123 ? 4.688   17.658 9.518  1.000 19.430 0 121 PHE AAA CE2 1 ? 
ATOM   1031 C CZ  . PHE A 1 123 ? 5.504   17.249 10.555 1.000 19.615 0 121 PHE AAA CZ  1 ? 
ATOM   1032 N N   . LYS A 1 124 ? 5.617   20.746 6.045  1.000 19.750 0 122 LYS AAA N   1 ? 
ATOM   1033 C CA  . LYS A 1 124 ? 5.162   19.761 5.023  1.000 18.649 0 122 LYS AAA CA  1 ? 
ATOM   1034 C C   . LYS A 1 124 ? 6.339   19.402 4.119  1.000 18.943 0 122 LYS AAA C   1 ? 
ATOM   1035 O O   . LYS A 1 124 ? 6.611   18.219 3.925  1.000 17.223 0 122 LYS AAA O   1 ? 
ATOM   1036 C CB  . LYS A 1 124 ? 3.870   20.203 4.336  1.000 22.123 0 122 LYS AAA CB  1 ? 
ATOM   1037 C CG  . LYS A 1 124 ? 2.622   19.731 5.052  1.000 26.120 0 122 LYS AAA CG  1 ? 
ATOM   1038 C CD  . LYS A 1 124 ? 1.319   20.271 4.498  1.000 29.359 0 122 LYS AAA CD  1 ? 
ATOM   1039 C CE  . LYS A 1 124 ? 0.109   19.667 5.166  1.000 29.378 0 122 LYS AAA CE  1 ? 
ATOM   1040 N NZ  . LYS A 1 124 ? -1.151  20.253 4.661  1.000 30.439 0 122 LYS AAA NZ  1 ? 
ATOM   1041 N N   . PRO A 1 125 ? 7.092   20.341 3.510  1.000 16.335 0 123 PRO AAA N   1 ? 
ATOM   1042 C CA  . PRO A 1 125 ? 8.245   19.978 2.693  1.000 16.291 0 123 PRO AAA CA  1 ? 
ATOM   1043 C C   . PRO A 1 125 ? 9.371   19.258 3.450  1.000 15.172 0 123 PRO AAA C   1 ? 
ATOM   1044 O O   . PRO A 1 125 ? 10.015  18.396 2.901  1.000 15.087 0 123 PRO AAA O   1 ? 
ATOM   1045 C CB  . PRO A 1 125 ? 8.734   21.326 2.126  1.000 20.377 0 123 PRO AAA CB  1 ? 
ATOM   1046 C CG  . PRO A 1 125 ? 7.510   22.190 2.209  1.000 20.296 0 123 PRO AAA CG  1 ? 
ATOM   1047 C CD  . PRO A 1 125 ? 6.800   21.784 3.459  1.000 20.327 0 123 PRO AAA CD  1 ? 
ATOM   1048 N N   . LEU A 1 126 ? 9.518   19.570 4.731  1.000 14.626 0 124 LEU AAA N   1 ? 
ATOM   1049 C CA  . LEU A 1 126 ? 10.493  18.860 5.599  1.000 15.089 0 124 LEU AAA CA  1 ? 
ATOM   1050 C C   . LEU A 1 126 ? 10.074  17.393 5.705  1.000 13.600 0 124 LEU AAA C   1 ? 
ATOM   1051 O O   . LEU A 1 126 ? 10.925  16.501 5.507  1.000 16.279 0 124 LEU AAA O   1 ? 
ATOM   1052 C CB  . LEU A 1 126 ? 10.571  19.514 6.976  1.000 16.373 0 124 LEU AAA CB  1 ? 
ATOM   1053 C CG  . LEU A 1 126 ? 11.398  18.780 8.030  1.000 17.780 0 124 LEU AAA CG  1 ? 
ATOM   1054 C CD1 . LEU A 1 126 ? 12.857  18.655 7.629  1.000 21.224 0 124 LEU AAA CD1 1 ? 
ATOM   1055 C CD2 . LEU A 1 126 ? 11.277  19.490 9.361  1.000 18.752 0 124 LEU AAA CD2 1 ? 
ATOM   1056 N N   . TRP A 1 127 ? 8.824   17.153 6.017  1.000 14.427 0 125 TRP AAA N   1 ? 
ATOM   1057 C CA  . TRP A 1 127 ? 8.308   15.767 6.092  1.000 14.349 0 125 TRP AAA CA  1 ? 
ATOM   1058 C C   . TRP A 1 127 ? 8.548   15.114 4.728  1.000 15.166 0 125 TRP AAA C   1 ? 
ATOM   1059 O O   . TRP A 1 127 ? 9.099   13.980 4.664  1.000 16.243 0 125 TRP AAA O   1 ? 
ATOM   1060 C CB  . TRP A 1 127 ? 6.836   15.785 6.487  1.000 13.672 0 125 TRP AAA CB  1 ? 
ATOM   1061 C CG  . TRP A 1 127 ? 6.255   14.419 6.656  1.000 14.567 0 125 TRP AAA CG  1 ? 
ATOM   1062 C CD1 . TRP A 1 127 ? 5.756   13.611 5.687  1.000 16.146 0 125 TRP AAA CD1 1 ? 
ATOM   1063 C CD2 . TRP A 1 127 ? 6.183   13.658 7.871  1.000 14.438 0 125 TRP AAA CD2 1 ? 
ATOM   1064 N NE1 . TRP A 1 127 ? 5.321   12.423 6.206  1.000 15.412 0 125 TRP AAA NE1 1 ? 
ATOM   1065 C CE2 . TRP A 1 127 ? 5.588   12.419 7.540  1.000 15.180 0 125 TRP AAA CE2 1 ? 
ATOM   1066 C CE3 . TRP A 1 127 ? 6.496   13.932 9.192  1.000 15.088 0 125 TRP AAA CE3 1 ? 
ATOM   1067 C CZ2 . TRP A 1 127 ? 5.295   11.463 8.495  1.000 17.124 0 125 TRP AAA CZ2 1 ? 
ATOM   1068 C CZ3 . TRP A 1 127 ? 6.233   12.972 10.121 1.000 14.650 0 125 TRP AAA CZ3 1 ? 
ATOM   1069 C CH2 . TRP A 1 127 ? 5.664   11.762 9.785  1.000 14.356 0 125 TRP AAA CH2 1 ? 
ATOM   1070 N N   . ALA A 1 128 ? 8.120   15.772 3.633  1.000 15.250 0 126 ALA AAA N   1 ? 
ATOM   1071 C CA  . ALA A 1 128 ? 8.159   15.165 2.276  1.000 16.371 0 126 ALA AAA CA  1 ? 
ATOM   1072 C C   . ALA A 1 128 ? 9.566   14.708 1.926  1.000 17.076 0 126 ALA AAA C   1 ? 
ATOM   1073 O O   . ALA A 1 128 ? 9.725   13.598 1.374  1.000 16.531 0 126 ALA AAA O   1 ? 
ATOM   1074 C CB  . ALA A 1 128 ? 7.626   16.132 1.249  1.000 16.901 0 126 ALA AAA CB  1 ? 
ATOM   1075 N N   . ARG A 1 129 ? 10.573  15.523 2.232  1.000 15.542 0 127 ARG AAA N   1 ? 
ATOM   1076 C CA  . ARG A 1 129 ? 11.966  15.235 1.817  1.000 19.928 0 127 ARG AAA CA  1 ? 
ATOM   1077 C C   . ARG A 1 129 ? 12.625  14.192 2.732  1.000 18.792 0 127 ARG AAA C   1 ? 
ATOM   1078 O O   . ARG A 1 129 ? 13.755  13.798 2.448  1.000 22.973 0 127 ARG AAA O   1 ? 
ATOM   1079 C CB  . ARG A 1 129 ? 12.791  16.520 1.725  1.000 23.741 0 127 ARG AAA CB  1 ? 
ATOM   1080 C CG  . ARG A 1 129 ? 13.142  17.186 3.036  1.000 28.539 0 127 ARG AAA CG  1 ? 
ATOM   1081 C CD  . ARG A 1 129 ? 13.909  18.482 2.717  1.000 34.149 0 127 ARG AAA CD  1 ? 
ATOM   1082 N NE  . ARG A 1 129 ? 14.159  19.346 3.866  1.000 32.528 0 127 ARG AAA NE  1 ? 
ATOM   1083 C CZ  . ARG A 1 129 ? 13.540  20.493 4.139  1.000 36.020 0 127 ARG AAA CZ  1 ? 
ATOM   1084 N NH1 . ARG A 1 129 ? 12.589  20.964 3.350  1.000 34.361 0 127 ARG AAA NH1 1 ? 
ATOM   1085 N NH2 . ARG A 1 129 ? 13.869  21.170 5.233  1.000 35.449 0 127 ARG AAA NH2 1 ? 
ATOM   1086 N N   . ASN A 1 130 ? 11.929  13.729 3.768  1.000 15.988 0 128 ASN AAA N   1 ? 
ATOM   1087 C CA  . ASN A 1 130 ? 12.468  12.678 4.673  1.000 16.417 0 128 ASN AAA CA  1 ? 
ATOM   1088 C C   . ASN A 1 130 ? 11.708  11.355 4.552  1.000 16.722 0 128 ASN AAA C   1 ? 
ATOM   1089 O O   . ASN A 1 130 ? 12.132  10.421 5.277  1.000 20.019 0 128 ASN AAA O   1 ? 
ATOM   1090 C CB  . ASN A 1 130 ? 12.533  13.208 6.103  1.000 16.968 0 128 ASN AAA CB  1 ? 
ATOM   1091 C CG  . ASN A 1 130 ? 13.727  14.116 6.266  1.000 17.162 0 128 ASN AAA CG  1 ? 
ATOM   1092 O OD1 . ASN A 1 130 ? 14.850  13.649 6.388  1.000 19.907 0 128 ASN AAA OD1 1 ? 
ATOM   1093 N ND2 . ASN A 1 130 ? 13.510  15.418 6.216  1.000 17.946 0 128 ASN AAA ND2 1 ? 
ATOM   1094 N N   . VAL A 1 131 ? 10.647  11.259 3.725  1.000 16.651 0 129 VAL AAA N   1 ? 
ATOM   1095 C CA  . VAL A 1 131 ? 9.817   10.026 3.605  1.000 17.967 0 129 VAL AAA CA  1 ? 
ATOM   1096 C C   . VAL A 1 131 ? 10.768  8.892  3.222  1.000 18.599 0 129 VAL AAA C   1 ? 
ATOM   1097 O O   . VAL A 1 131 ? 11.618  9.063  2.338  1.000 18.479 0 129 VAL AAA O   1 ? 
ATOM   1098 C CB  . VAL A 1 131 ? 8.637   10.198 2.622  1.000 19.011 0 129 VAL AAA CB  1 ? 
ATOM   1099 C CG1 . VAL A 1 131 ? 7.864   8.899  2.401  1.000 22.596 0 129 VAL AAA CG1 1 ? 
ATOM   1100 C CG2 . VAL A 1 131 ? 7.673   11.279 3.089  1.000 17.611 0 129 VAL AAA CG2 1 ? 
ATOM   1101 N N   . PRO A 1 132 ? 10.675  7.676  3.822  1.000 18.262 0 130 PRO AAA N   1 ? 
ATOM   1102 C CA  . PRO A 1 132 ? 9.777   7.342  4.946  1.000 17.184 0 130 PRO AAA CA  1 ? 
ATOM   1103 C C   . PRO A 1 132 ? 10.434  7.302  6.327  1.000 17.178 0 130 PRO AAA C   1 ? 
ATOM   1104 O O   . PRO A 1 132 ? 9.974   6.556  7.233  1.000 16.842 0 130 PRO AAA O   1 ? 
ATOM   1105 C CB  . PRO A 1 132 ? 9.392   5.899  4.529  1.000 18.124 0 130 PRO AAA CB  1 ? 
ATOM   1106 C CG  . PRO A 1 132 ? 10.724  5.322  4.063  1.000 16.443 0 130 PRO AAA CG  1 ? 
ATOM   1107 C CD  . PRO A 1 132 ? 11.388  6.473  3.330  1.000 18.186 0 130 PRO AAA CD  1 ? 
ATOM   1108 N N   . LYS A 1 133 ? 11.541  8.027  6.490  1.000 14.340 0 131 LYS AAA N   1 ? 
ATOM   1109 C CA  . LYS A 1 133 ? 12.351  8.026  7.711  1.000 15.327 0 131 LYS AAA CA  1 ? 
ATOM   1110 C C   . LYS A 1 133 ? 11.591  8.592  8.911  1.000 13.937 0 131 LYS AAA C   1 ? 
ATOM   1111 O O   . LYS A 1 133 ? 11.874  8.144  10.033 1.000 15.180 0 131 LYS AAA O   1 ? 
ATOM   1112 C CB  . LYS A 1 133 ? 13.643  8.766  7.434  1.000 18.441 0 131 LYS AAA CB  1 ? 
ATOM   1113 C CG  . LYS A 1 133 ? 14.539  8.030  6.446  1.000 20.880 0 131 LYS AAA CG  1 ? 
ATOM   1114 C CD  . LYS A 1 133 ? 15.876  8.699  6.286  1.000 24.201 0 131 LYS AAA CD  1 ? 
ATOM   1115 C CE  . LYS A 1 133 ? 15.740  9.974  5.482  1.000 27.758 0 131 LYS AAA CE  1 ? 
ATOM   1116 N NZ  . LYS A 1 133 ? 17.064  10.437 5.008  1.000 27.067 0 131 LYS AAA NZ  1 ? 
ATOM   1117 N N   . PHE A 1 134 ? 10.763  9.605  8.704  1.000 14.390 0 132 PHE AAA N   1 ? 
ATOM   1118 C CA  . PHE A 1 134 ? 10.043  10.204 9.853  1.000 13.822 0 132 PHE AAA CA  1 ? 
ATOM   1119 C C   . PHE A 1 134 ? 8.767   9.410  10.112 1.000 13.007 0 132 PHE AAA C   1 ? 
ATOM   1120 O O   . PHE A 1 134 ? 8.053   8.952  9.193  1.000 13.288 0 132 PHE AAA O   1 ? 
ATOM   1121 C CB  . PHE A 1 134 ? 9.684   11.678 9.600  1.000 14.529 0 132 PHE AAA CB  1 ? 
ATOM   1122 C CG  . PHE A 1 134 ? 10.859  12.616 9.568  1.000 15.006 0 132 PHE AAA CG  1 ? 
ATOM   1123 C CD1 . PHE A 1 134 ? 12.128  12.205 9.952  1.000 15.993 0 132 PHE AAA CD1 1 ? 
ATOM   1124 C CD2 . PHE A 1 134 ? 10.646  13.969 9.304  1.000 18.334 0 132 PHE AAA CD2 1 ? 
ATOM   1125 C CE1 . PHE A 1 134 ? 13.192  13.089 9.937  1.000 16.329 0 132 PHE AAA CE1 1 ? 
ATOM   1126 C CE2 . PHE A 1 134 ? 11.715  14.850 9.290  1.000 16.743 0 132 PHE AAA CE2 1 ? 
ATOM   1127 C CZ  . PHE A 1 134 ? 12.975  14.405 9.623  1.000 15.285 0 132 PHE AAA CZ  1 ? 
ATOM   1128 N N   . GLY A 1 135 ? 8.442   9.300  11.401 1.000 13.016 0 133 GLY AAA N   1 ? 
ATOM   1129 C CA  . GLY A 1 135 ? 7.179   8.736  11.867 1.000 13.107 0 133 GLY AAA CA  1 ? 
ATOM   1130 C C   . GLY A 1 135 ? 6.486   9.586  12.917 1.000 13.475 0 133 GLY AAA C   1 ? 
ATOM   1131 O O   . GLY A 1 135 ? 6.736   10.810 13.026 1.000 13.645 0 133 GLY AAA O   1 ? 
ATOM   1132 N N   . LEU A 1 136 ? 5.636   8.950  13.716 1.000 13.356 0 134 LEU AAA N   1 ? 
ATOM   1133 C CA  . LEU A 1 136 ? 4.832   9.679  14.721 1.000 13.271 0 134 LEU AAA CA  1 ? 
ATOM   1134 C C   . LEU A 1 136 ? 5.709   10.339 15.790 1.000 13.032 0 134 LEU AAA C   1 ? 
ATOM   1135 O O   . LEU A 1 136 ? 5.383   11.463 16.197 1.000 12.516 0 134 LEU AAA O   1 ? 
ATOM   1136 C CB  . LEU A 1 136 ? 3.844   8.705  15.362 1.000 12.928 0 134 LEU AAA CB  1 ? 
ATOM   1137 C CG  . LEU A 1 136 ? 2.883   8.035  14.392 1.000 14.584 0 134 LEU AAA CG  1 ? 
ATOM   1138 C CD1 . LEU A 1 136 ? 1.845   7.222  15.158 1.000 15.129 0 134 LEU AAA CD1 1 ? 
ATOM   1139 C CD2 . LEU A 1 136 ? 2.221   9.057  13.475 1.000 14.463 0 134 LEU AAA CD2 1 ? 
ATOM   1140 N N   . ALA A 1 137 ? 6.854   9.746  16.171 1.000 13.993 0 135 ALA AAA N   1 ? 
ATOM   1141 C CA  . ALA A 1 137 ? 7.759   10.455 17.102 1.000 13.434 0 135 ALA AAA CA  1 ? 
ATOM   1142 C C   . ALA A 1 137 ? 8.210   11.796 16.519 1.000 13.565 0 135 ALA AAA C   1 ? 
ATOM   1143 O O   . ALA A 1 137 ? 8.252   12.787 17.239 1.000 13.784 0 135 ALA AAA O   1 ? 
ATOM   1144 C CB  . ALA A 1 137 ? 8.938   9.603  17.476 1.000 13.394 0 135 ALA AAA CB  1 ? 
ATOM   1145 N N   . HIS A 1 138 ? 8.538   11.808 15.239 1.000 12.712 0 136 HIS AAA N   1 ? 
ATOM   1146 C CA  . HIS A 1 138 ? 9.014   13.020 14.545 1.000 12.953 0 136 HIS AAA CA  1 ? 
ATOM   1147 C C   . HIS A 1 138 ? 7.865   14.013 14.355 1.000 12.105 0 136 HIS AAA C   1 ? 
ATOM   1148 O O   . HIS A 1 138 ? 8.099   15.207 14.478 1.000 12.468 0 136 HIS AAA O   1 ? 
ATOM   1149 C CB  . HIS A 1 138 ? 9.646   12.672 13.193 1.000 12.552 0 136 HIS AAA CB  1 ? 
ATOM   1150 C CG  . HIS A 1 138 ? 10.745  11.670 13.273 1.000 13.284 0 136 HIS AAA CG  1 ? 
ATOM   1151 N ND1 . HIS A 1 138 ? 10.510  10.302 13.294 1.000 14.339 0 136 HIS AAA ND1 1 ? 
ATOM   1152 C CD2 . HIS A 1 138 ? 12.078  11.836 13.439 1.000 13.888 0 136 HIS AAA CD2 1 ? 
ATOM   1153 C CE1 . HIS A 1 138 ? 11.684  9.678  13.440 1.000 14.934 0 136 HIS AAA CE1 1 ? 
ATOM   1154 N NE2 . HIS A 1 138 ? 12.666  10.600 13.495 1.000 14.748 0 136 HIS AAA NE2 1 ? 
ATOM   1155 N N   . LEU A 1 139 ? 6.646   13.538 14.093 1.000 12.500 0 137 LEU AAA N   1 ? 
ATOM   1156 C CA  . LEU A 1 139 ? 5.462   14.420 14.009 1.000 12.870 0 137 LEU AAA CA  1 ? 
ATOM   1157 C C   . LEU A 1 139 ? 5.284   15.159 15.330 1.000 13.247 0 137 LEU AAA C   1 ? 
ATOM   1158 O O   . LEU A 1 139 ? 4.949   16.364 15.335 1.000 14.336 0 137 LEU AAA O   1 ? 
ATOM   1159 C CB  . LEU A 1 139 ? 4.234   13.581 13.681 1.000 14.940 0 137 LEU AAA CB  1 ? 
ATOM   1160 C CG  . LEU A 1 139 ? 2.913   14.320 13.624 1.000 15.501 0 137 LEU AAA CG  1 ? 
ATOM   1161 C CD1 . LEU A 1 139 ? 2.860   15.263 12.429 1.000 19.792 0 137 LEU AAA CD1 1 ? 
ATOM   1162 C CD2 . LEU A 1 139 ? 1.779   13.306 13.580 1.000 16.730 0 137 LEU AAA CD2 1 ? 
ATOM   1163 N N   . MET A 1 140 ? 5.447   14.455 16.430 1.000 13.141 0 138 MET AAA N   1 ? 
ATOM   1164 C CA  . MET A 1 140 ? 5.329   15.071 17.779 1.000 13.365 0 138 MET AAA CA  1 ? 
ATOM   1165 C C   . MET A 1 140 ? 6.493   16.047 17.994 1.000 13.839 0 138 MET AAA C   1 ? 
ATOM   1166 O O   . MET A 1 140 ? 6.258   17.196 18.374 1.000 12.709 0 138 MET AAA O   1 ? 
ATOM   1167 C CB  . MET A 1 140 ? 5.354   13.988 18.846 1.000 13.651 0 138 MET AAA CB  1 ? 
ATOM   1168 C CG  . MET A 1 140 ? 4.127   13.045 18.780 1.000 13.990 0 138 MET AAA CG  1 ? 
ATOM   1169 S SD  . MET A 1 140 ? 2.533   13.866 19.126 1.000 14.390 0 138 MET AAA SD  1 ? 
ATOM   1170 C CE  . MET A 1 140 ? 2.597   13.942 20.904 1.000 15.740 0 138 MET AAA CE  1 ? 
ATOM   1171 N N   . ALA A 1 141 ? 7.736   15.616 17.750 1.000 11.474 0 139 ALA AAA N   1 ? 
ATOM   1172 C CA  . ALA A 1 141 ? 8.936   16.431 18.047 1.000 12.519 0 139 ALA AAA CA  1 ? 
ATOM   1173 C C   . ALA A 1 141 ? 9.000   17.696 17.179 1.000 13.888 0 139 ALA AAA C   1 ? 
ATOM   1174 O O   . ALA A 1 141 ? 9.390   18.766 17.661 1.000 14.602 0 139 ALA AAA O   1 ? 
ATOM   1175 C CB  . ALA A 1 141 ? 10.159  15.601 17.870 1.000 13.009 0 139 ALA AAA CB  1 ? 
ATOM   1176 N N   . LEU A 1 142 ? 8.685   17.570 15.900 1.000 13.655 0 140 LEU AAA N   1 ? 
ATOM   1177 C CA  . LEU A 1 142 ? 8.856   18.675 14.901 1.000 14.311 0 140 LEU AAA CA  1 ? 
ATOM   1178 C C   . LEU A 1 142 ? 7.533   19.398 14.629 1.000 13.923 0 140 LEU AAA C   1 ? 
ATOM   1179 O O   . LEU A 1 142 ? 7.577   20.454 13.970 1.000 15.873 0 140 LEU AAA O   1 ? 
ATOM   1180 C CB  . LEU A 1 142 ? 9.386   18.073 13.596 1.000 14.413 0 140 LEU AAA CB  1 ? 
ATOM   1181 C CG  . LEU A 1 142 ? 10.799  17.506 13.630 1.000 15.508 0 140 LEU AAA CG  1 ? 
ATOM   1182 C CD1 . LEU A 1 142 ? 11.067  16.685 12.358 1.000 16.290 0 140 LEU AAA CD1 1 ? 
ATOM   1183 C CD2 . LEU A 1 142 ? 11.820  18.623 13.805 1.000 17.602 0 140 LEU AAA CD2 1 ? 
ATOM   1184 N N   . GLY A 1 143 ? 6.386   18.819 15.007 1.000 13.281 0 141 GLY AAA N   1 ? 
ATOM   1185 C CA  . GLY A 1 143 ? 5.067   19.347 14.657 1.000 14.841 0 141 GLY AAA CA  1 ? 
ATOM   1186 C C   . GLY A 1 143 ? 4.385   19.910 15.887 1.000 16.818 0 141 GLY AAA C   1 ? 
ATOM   1187 O O   . GLY A 1 143 ? 4.337   21.149 16.071 1.000 17.276 0 141 GLY AAA O   1 ? 
ATOM   1188 N N   . LEU A 1 144 ? 3.843   19.027 16.708 1.000 15.216 0 142 LEU AAA N   1 ? 
ATOM   1189 C CA  . LEU A 1 144 ? 3.015   19.462 17.849 1.000 14.695 0 142 LEU AAA CA  1 ? 
ATOM   1190 C C   . LEU A 1 144 ? 3.884   20.180 18.872 1.000 15.675 0 142 LEU AAA C   1 ? 
ATOM   1191 O O   . LEU A 1 144 ? 3.435   21.206 19.426 1.000 15.508 0 142 LEU AAA O   1 ? 
ATOM   1192 C CB  . LEU A 1 144 ? 2.343   18.263 18.498 1.000 15.150 0 142 LEU AAA CB  1 ? 
ATOM   1193 C CG  . LEU A 1 144 ? 1.530   18.570 19.755 1.000 14.027 0 142 LEU AAA CG  1 ? 
ATOM   1194 C CD1 . LEU A 1 144 ? 0.364   19.513 19.475 1.000 13.654 0 142 LEU AAA CD1 1 ? 
ATOM   1195 C CD2 . LEU A 1 144 ? 1.013   17.256 20.315 1.000 14.793 0 142 LEU AAA CD2 1 ? 
ATOM   1196 N N   . GLY A 1 145 ? 5.100   19.698 19.129 1.000 14.820 0 143 GLY AAA N   1 ? 
ATOM   1197 C CA  . GLY A 1 145 ? 5.944   20.283 20.187 1.000 14.006 0 143 GLY AAA CA  1 ? 
ATOM   1198 C C   . GLY A 1 145 ? 6.138   21.783 19.991 1.000 15.066 0 143 GLY AAA C   1 ? 
ATOM   1199 O O   . GLY A 1 145 ? 5.847   22.567 20.895 1.000 14.800 0 143 GLY AAA O   1 ? 
ATOM   1200 N N   . PRO A 1 146 ? 6.687   22.215 18.834 1.000 15.155 0 144 PRO AAA N   1 ? 
ATOM   1201 C CA  . PRO A 1 146 ? 6.874   23.652 18.586 1.000 16.745 0 144 PRO AAA CA  1 ? 
ATOM   1202 C C   . PRO A 1 146 ? 5.555   24.403 18.489 1.000 15.067 0 144 PRO AAA C   1 ? 
ATOM   1203 O O   . PRO A 1 146 ? 5.511   25.590 18.805 1.000 17.036 0 144 PRO AAA O   1 ? 
ATOM   1204 C CB  . PRO A 1 146 ? 7.658   23.761 17.273 1.000 18.294 0 144 PRO AAA CB  1 ? 
ATOM   1205 C CG  . PRO A 1 146 ? 7.738   22.358 16.717 1.000 18.126 0 144 PRO AAA CG  1 ? 
ATOM   1206 C CD  . PRO A 1 146 ? 7.300   21.376 17.778 1.000 15.807 0 144 PRO AAA CD  1 ? 
ATOM   1207 N N   . TRP A 1 147 ? 4.504   23.780 17.973 1.000 13.407 0 145 TRP AAA N   1 ? 
ATOM   1208 C CA  . TRP A 1 147 ? 3.173   24.409 17.943 1.000 14.342 0 145 TRP AAA CA  1 ? 
ATOM   1209 C C   . TRP A 1 147 ? 2.762   24.809 19.367 1.000 14.458 0 145 TRP AAA C   1 ? 
ATOM   1210 O O   . TRP A 1 147 ? 2.291   25.962 19.568 1.000 14.200 0 145 TRP AAA O   1 ? 
ATOM   1211 C CB  . TRP A 1 147 ? 2.129   23.513 17.266 1.000 15.808 0 145 TRP AAA CB  1 ? 
ATOM   1212 C CG  . TRP A 1 147 ? 0.794   24.166 17.063 1.000 15.155 0 145 TRP AAA CG  1 ? 
ATOM   1213 C CD1 . TRP A 1 147 ? 0.380   24.847 15.967 1.000 18.237 0 145 TRP AAA CD1 1 ? 
ATOM   1214 C CD2 . TRP A 1 147 ? -0.320  24.134 17.965 1.000 17.319 0 145 TRP AAA CD2 1 ? 
ATOM   1215 N NE1 . TRP A 1 147 ? -0.902  25.303 16.146 1.000 18.381 0 145 TRP AAA NE1 1 ? 
ATOM   1216 C CE2 . TRP A 1 147 ? -1.363  24.865 17.354 1.000 17.039 0 145 TRP AAA CE2 1 ? 
ATOM   1217 C CE3 . TRP A 1 147 ? -0.503  23.595 19.241 1.000 18.025 0 145 TRP AAA CE3 1 ? 
ATOM   1218 C CZ2 . TRP A 1 147 ? -2.585  25.050 17.985 1.000 20.514 0 145 TRP AAA CZ2 1 ? 
ATOM   1219 C CZ3 . TRP A 1 147 ? -1.735  23.731 19.844 1.000 21.187 0 145 TRP AAA CZ3 1 ? 
ATOM   1220 C CH2 . TRP A 1 147 ? -2.748  24.476 19.217 1.000 20.580 0 145 TRP AAA CH2 1 ? 
ATOM   1221 N N   . LEU A 1 148 ? 2.837   23.884 20.311 1.000 13.640 0 146 LEU AAA N   1 ? 
ATOM   1222 C CA  . LEU A 1 148 ? 2.435   24.177 21.716 1.000 13.933 0 146 LEU AAA CA  1 ? 
ATOM   1223 C C   . LEU A 1 148 ? 3.250   25.357 22.278 1.000 14.374 0 146 LEU AAA C   1 ? 
ATOM   1224 O O   . LEU A 1 148 ? 2.687   26.186 23.009 1.000 15.425 0 146 LEU AAA O   1 ? 
ATOM   1225 C CB  . LEU A 1 148 ? 2.665   22.939 22.574 1.000 14.750 0 146 LEU AAA CB  1 ? 
ATOM   1226 C CG  . LEU A 1 148 ? 1.743   21.756 22.281 1.000 16.097 0 146 LEU AAA CG  1 ? 
ATOM   1227 C CD1 . LEU A 1 148 ? 2.242   20.559 23.062 1.000 16.553 0 146 LEU AAA CD1 1 ? 
ATOM   1228 C CD2 . LEU A 1 148 ? 0.296   22.058 22.651 1.000 16.698 0 146 LEU AAA CD2 1 ? 
ATOM   1229 N N   . ALA A 1 149 ? 4.524   25.424 21.950 1.000 13.144 0 147 ALA AAA N   1 ? 
ATOM   1230 C CA  . ALA A 1 149 ? 5.448   26.429 22.524 1.000 13.945 0 147 ALA AAA CA  1 ? 
ATOM   1231 C C   . ALA A 1 149 ? 5.100   27.822 21.987 1.000 14.258 0 147 ALA AAA C   1 ? 
ATOM   1232 O O   . ALA A 1 149 ? 5.596   28.796 22.555 1.000 14.605 0 147 ALA AAA O   1 ? 
ATOM   1233 C CB  . ALA A 1 149 ? 6.865   26.042 22.264 1.000 14.538 0 147 ALA AAA CB  1 ? 
ATOM   1234 N N   . VAL A 1 150 ? 4.339   27.929 20.896 1.000 13.987 0 148 VAL AAA N   1 ? 
ATOM   1235 C CA  . VAL A 1 150 ? 3.815   29.243 20.444 1.000 15.758 0 148 VAL AAA CA  1 ? 
ATOM   1236 C C   . VAL A 1 150 ? 2.389   29.435 20.986 1.000 15.890 0 148 VAL AAA C   1 ? 
ATOM   1237 O O   . VAL A 1 150 ? 2.093   30.482 21.615 1.000 17.635 0 148 VAL AAA O   1 ? 
ATOM   1238 C CB  . VAL A 1 150 ? 3.902   29.388 18.917 1.000 15.914 0 148 VAL AAA CB  1 ? 
ATOM   1239 C CG1 . VAL A 1 150 ? 3.292   30.700 18.448 1.000 16.946 0 148 VAL AAA CG1 1 ? 
ATOM   1240 C CG2 . VAL A 1 150 ? 5.341   29.308 18.451 1.000 16.599 0 148 VAL AAA CG2 1 ? 
ATOM   1241 N N   . GLU A 1 151 ? 1.513   28.489 20.712 1.000 14.346 0 149 GLU AAA N   1 ? 
ATOM   1242 C CA  . GLU A 1 151 ? 0.055   28.709 20.826 1.000 17.920 0 149 GLU AAA CA  1 ? 
ATOM   1243 C C   . GLU A 1 151 ? -0.351  28.699 22.291 1.000 17.363 0 149 GLU AAA C   1 ? 
ATOM   1244 O O   . GLU A 1 151 ? -1.227  29.506 22.628 1.000 17.270 0 149 GLU AAA O   1 ? 
ATOM   1245 C CB  . GLU A 1 151 ? -0.713  27.714 19.968 1.000 23.304 0 149 GLU AAA CB  1 ? 
ATOM   1246 C CG  . GLU A 1 151 ? -0.479  27.926 18.478 1.000 27.697 0 149 GLU AAA CG  1 ? 
ATOM   1247 C CD  . GLU A 1 151 ? -0.201  29.336 17.930 1.000 38.984 0 149 GLU AAA CD  1 ? 
ATOM   1248 O OE1 . GLU A 1 151 ? -0.686  30.370 18.494 1.000 39.320 0 149 GLU AAA OE1 1 ? 
ATOM   1249 O OE2 . GLU A 1 151 ? 0.494   29.411 16.884 1.000 39.202 0 149 GLU AAA OE2 1 ? 
ATOM   1250 N N   . ILE A 1 152 ? 0.207   27.826 23.149 1.000 15.474 0 150 ILE AAA N   1 ? 
ATOM   1251 C CA  . ILE A 1 152 ? -0.290  27.711 24.544 1.000 15.231 0 150 ILE AAA CA  1 ? 
ATOM   1252 C C   . ILE A 1 152 ? 0.015   29.017 25.297 1.000 16.427 0 150 ILE AAA C   1 ? 
ATOM   1253 O O   . ILE A 1 152 ? -0.888  29.544 25.979 1.000 14.800 0 150 ILE AAA O   1 ? 
ATOM   1254 C CB  . ILE A 1 152 ? 0.152   26.418 25.265 1.000 16.106 0 150 ILE AAA CB  1 ? 
ATOM   1255 C CG1 . ILE A 1 152 ? -0.228  25.163 24.478 1.000 16.170 0 150 ILE AAA CG1 1 ? 
ATOM   1256 C CG2 . ILE A 1 152 ? -0.435  26.370 26.661 1.000 15.936 0 150 ILE AAA CG2 1 ? 
ATOM   1257 C CD1 . ILE A 1 152 ? -1.690  25.110 24.046 1.000 16.947 0 150 ILE AAA CD1 1 ? 
ATOM   1258 N N   . PRO A 1 153 ? 1.250   29.559 25.270 1.000 16.075 0 151 PRO AAA N   1 ? 
ATOM   1259 C CA  . PRO A 1 153 ? 1.487   30.852 25.930 1.000 16.431 0 151 PRO AAA CA  1 ? 
ATOM   1260 C C   . PRO A 1 153 ? 0.535   31.939 25.422 1.000 17.961 0 151 PRO AAA C   1 ? 
ATOM   1261 O O   . PRO A 1 153 ? 0.091   32.767 26.250 1.000 18.437 0 151 PRO AAA O   1 ? 
ATOM   1262 C CB  . PRO A 1 153 ? 2.939   31.159 25.594 1.000 17.011 0 151 PRO AAA CB  1 ? 
ATOM   1263 C CG  . PRO A 1 153 ? 3.553   29.811 25.419 1.000 16.149 0 151 PRO AAA CG  1 ? 
ATOM   1264 C CD  . PRO A 1 153 ? 2.486   28.962 24.744 1.000 16.246 0 151 PRO AAA CD  1 ? 
ATOM   1265 N N   . ASP A 1 154 ? 0.238   31.951 24.122 1.000 17.451 0 152 ASP AAA N   1 ? 
ATOM   1266 C CA  . ASP A 1 154 ? -0.629  32.985 23.493 1.000 19.460 0 152 ASP AAA CA  1 ? 
ATOM   1267 C C   . ASP A 1 154 ? -2.044  32.853 24.088 1.000 20.417 0 152 ASP AAA C   1 ? 
ATOM   1268 O O   . ASP A 1 154 ? -2.642  33.870 24.543 1.000 20.908 0 152 ASP AAA O   1 ? 
ATOM   1269 C CB  . ASP A 1 154 ? -0.679  32.834 21.976 1.000 19.749 0 152 ASP AAA CB  1 ? 
ATOM   1270 C CG  . ASP A 1 154 ? -1.511  33.892 21.269 1.000 25.491 0 152 ASP AAA CG  1 ? 
ATOM   1271 O OD1 . ASP A 1 154 ? -1.245  35.088 21.514 1.000 27.617 0 152 ASP AAA OD1 1 ? 
ATOM   1272 O OD2 . ASP A 1 154 ? -2.427  33.522 20.502 1.000 29.699 0 152 ASP AAA OD2 1 ? 
ATOM   1273 N N   . LEU A 1 155 ? -2.563  31.627 24.119 1.000 17.897 0 153 LEU AAA N   1 ? 
ATOM   1274 C CA  . LEU A 1 155 ? -3.958  31.387 24.591 1.000 18.804 0 153 LEU AAA CA  1 ? 
ATOM   1275 C C   . LEU A 1 155 ? -4.063  31.626 26.092 1.000 19.227 0 153 LEU AAA C   1 ? 
ATOM   1276 O O   . LEU A 1 155 ? -5.128  32.081 26.529 1.000 21.120 0 153 LEU AAA O   1 ? 
ATOM   1277 C CB  . LEU A 1 155 ? -4.438  29.989 24.222 1.000 21.382 0 153 LEU AAA CB  1 ? 
ATOM   1278 C CG  . LEU A 1 155 ? -4.638  29.739 22.725 1.000 20.935 0 153 LEU AAA CG  1 ? 
ATOM   1279 C CD1 . LEU A 1 155 ? -4.975  28.278 22.483 1.000 24.678 0 153 LEU AAA CD1 1 ? 
ATOM   1280 C CD2 . LEU A 1 155 ? -5.717  30.616 22.127 1.000 24.553 0 153 LEU AAA CD2 1 ? 
ATOM   1281 N N   . ILE A 1 156 ? -3.015  31.397 26.864 1.000 17.482 0 154 ILE AAA N   1 ? 
ATOM   1282 C CA  . ILE A 1 156 ? -3.039  31.742 28.311 1.000 19.342 0 154 ILE AAA CA  1 ? 
ATOM   1283 C C   . ILE A 1 156 ? -3.056  33.269 28.446 1.000 21.490 0 154 ILE AAA C   1 ? 
ATOM   1284 O O   . ILE A 1 156 ? -3.943  33.777 29.208 1.000 21.943 0 154 ILE AAA O   1 ? 
ATOM   1285 C CB  . ILE A 1 156 ? -1.845  31.121 29.020 1.000 19.789 0 154 ILE AAA CB  1 ? 
ATOM   1286 C CG1 . ILE A 1 156 ? -1.995  29.598 29.025 1.000 17.615 0 154 ILE AAA CG1 1 ? 
ATOM   1287 C CG2 . ILE A 1 156 ? -1.664  31.696 30.442 1.000 20.257 0 154 ILE AAA CG2 1 ? 
ATOM   1288 C CD1 . ILE A 1 156 ? -0.810  28.868 29.536 1.000 18.264 0 154 ILE AAA CD1 1 ? 
ATOM   1289 N N   . GLN A 1 157 ? -2.163  33.963 27.733 1.000 23.328 0 155 GLN AAA N   1 ? 
ATOM   1290 C CA  . GLN A 1 157 ? -2.059  35.454 27.783 1.000 24.584 0 155 GLN AAA CA  1 ? 
ATOM   1291 C C   . GLN A 1 157 ? -3.404  36.079 27.368 1.000 25.871 0 155 GLN AAA C   1 ? 
ATOM   1292 O O   . GLN A 1 157 ? -3.811  37.113 27.957 1.000 27.739 0 155 GLN AAA O   1 ? 
ATOM   1293 C CB  . GLN A 1 157 ? -0.932  35.942 26.873 1.000 26.638 0 155 GLN AAA CB  1 ? 
ATOM   1294 C CG  . GLN A 1 157 ? -0.601  37.420 27.064 1.000 32.794 0 155 GLN AAA CG  1 ? 
ATOM   1295 C CD  . GLN A 1 157 ? -1.560  38.349 26.362 1.000 39.310 0 155 GLN AAA CD  1 ? 
ATOM   1296 O OE1 . GLN A 1 157 ? -2.020  38.085 25.250 1.000 45.094 0 155 GLN AAA OE1 1 ? 
ATOM   1297 N NE2 . GLN A 1 157 ? -1.863  39.464 27.017 1.000 44.466 0 155 GLN AAA NE2 1 ? 
ATOM   1298 N N   . LYS A 1 158 ? -4.098  35.487 26.406 1.000 24.064 0 156 LYS AAA N   1 ? 
ATOM   1299 C CA  . LYS A 1 158 ? -5.376  36.022 25.878 1.000 28.803 0 156 LYS AAA CA  1 ? 
ATOM   1300 C C   . LYS A 1 158 ? -6.567  35.625 26.760 1.000 28.015 0 156 LYS AAA C   1 ? 
ATOM   1301 O O   . LYS A 1 158 ? -7.676  36.042 26.411 1.000 32.214 0 156 LYS AAA O   1 ? 
ATOM   1302 C CB  . LYS A 1 158 ? -5.565  35.521 24.450 1.000 30.223 0 156 LYS AAA CB  1 ? 
ATOM   1303 C CG  . LYS A 1 158 ? -4.676  36.220 23.434 1.000 35.522 0 156 LYS AAA CG  1 ? 
ATOM   1304 C CD  . LYS A 1 158 ? -4.757  35.630 22.051 1.000 36.918 0 156 LYS AAA CD  1 ? 
ATOM   1305 C CE  . LYS A 1 158 ? -4.118  36.542 21.022 1.000 40.883 0 156 LYS AAA CE  1 ? 
ATOM   1306 N NZ  . LYS A 1 158 ? -4.209  35.965 19.662 1.000 49.924 0 156 LYS AAA NZ  1 ? 
ATOM   1307 N N   . GLY A 1 159 ? -6.358  34.879 27.845 1.000 26.044 0 157 GLY AAA N   1 ? 
ATOM   1308 C CA  . GLY A 1 159 ? -7.400  34.415 28.770 1.000 27.662 0 157 GLY AAA CA  1 ? 
ATOM   1309 C C   . GLY A 1 159 ? -8.342  33.401 28.137 1.000 28.453 0 157 GLY AAA C   1 ? 
ATOM   1310 O O   . GLY A 1 159 ? -9.465  33.228 28.666 1.000 29.533 0 157 GLY AAA O   1 ? 
ATOM   1311 N N   . VAL A 1 160 ? -7.915  32.682 27.102 1.000 25.610 0 158 VAL AAA N   1 ? 
ATOM   1312 C CA  . VAL A 1 160 ? -8.696  31.571 26.471 1.000 26.088 0 158 VAL AAA CA  1 ? 
ATOM   1313 C C   . VAL A 1 160 ? -8.529  30.292 27.305 1.000 27.605 0 158 VAL AAA C   1 ? 
ATOM   1314 O O   . VAL A 1 160 ? -9.498  29.500 27.436 1.000 28.468 0 158 VAL AAA O   1 ? 
ATOM   1315 C CB  . VAL A 1 160 ? -8.236  31.361 25.012 1.000 27.411 0 158 VAL AAA CB  1 ? 
ATOM   1316 C CG1 . VAL A 1 160 ? -8.863  30.140 24.357 1.000 30.489 0 158 VAL AAA CG1 1 ? 
ATOM   1317 C CG2 . VAL A 1 160 ? -8.494  32.591 24.166 1.000 30.940 0 158 VAL AAA CG2 1 ? 
ATOM   1318 N N   . ILE A 1 161 ? -7.315  30.020 27.767 1.000 24.211 0 159 ILE AAA N   1 ? 
ATOM   1319 C CA  . ILE A 1 161 ? -6.987  28.794 28.550 1.000 25.632 0 159 ILE AAA CA  1 ? 
ATOM   1320 C C   . ILE A 1 161 ? -6.795  29.234 29.999 1.000 25.695 0 159 ILE AAA C   1 ? 
ATOM   1321 O O   . ILE A 1 161 ? -6.064  30.229 30.257 1.000 28.294 0 159 ILE AAA O   1 ? 
ATOM   1322 C CB  . ILE A 1 161 ? -5.735  28.104 27.958 1.000 25.495 0 159 ILE AAA CB  1 ? 
ATOM   1323 C CG1 . ILE A 1 161 ? -6.018  27.562 26.556 1.000 27.405 0 159 ILE AAA CG1 1 ? 
ATOM   1324 C CG2 . ILE A 1 161 ? -5.229  27.009 28.872 1.000 25.876 0 159 ILE AAA CG2 1 ? 
ATOM   1325 C CD1 . ILE A 1 161 ? -4.788  26.978 25.873 1.000 27.243 0 159 ILE AAA CD1 1 ? 
ATOM   1326 N N   . HIS A 1 162 ? -7.437  28.513 30.902 1.000 25.327 0 160 HIS AAA N   1 ? 
ATOM   1327 C CA  . HIS A 1 162 ? -7.362  28.728 32.368 1.000 29.254 0 160 HIS AAA CA  1 ? 
ATOM   1328 C C   . HIS A 1 162 ? -6.853  27.441 33.006 1.000 27.816 0 160 HIS AAA C   1 ? 
ATOM   1329 O O   . HIS A 1 162 ? -7.280  26.352 32.625 1.000 30.907 0 160 HIS AAA O   1 ? 
ATOM   1330 C CB  . HIS A 1 162 ? -8.736  29.123 32.958 1.000 34.568 0 160 HIS AAA CB  1 ? 
ATOM   1331 C CG  . HIS A 1 162 ? -9.332  30.323 32.300 1.000 36.690 0 160 HIS AAA CG  1 ? 
ATOM   1332 N ND1 . HIS A 1 162 ? -8.830  31.590 32.507 1.000 42.808 0 160 HIS AAA ND1 1 ? 
ATOM   1333 C CD2 . HIS A 1 162 ? -10.327 30.444 31.393 1.000 44.461 0 160 HIS AAA CD2 1 ? 
ATOM   1334 C CE1 . HIS A 1 162 ? -9.505  32.451 31.765 1.000 45.601 0 160 HIS AAA CE1 1 ? 
ATOM   1335 N NE2 . HIS A 1 162 ? -10.432 31.769 31.076 1.000 47.685 0 160 HIS AAA NE2 1 ? 
ATOM   1336 N N   . HIS A 1 163 ? -6.029  27.580 34.029 1.000 25.288 0 161 HIS AAA N   1 ? 
ATOM   1337 C CA  . HIS A 1 163 ? -5.507  26.423 34.782 1.000 24.662 0 161 HIS AAA CA  1 ? 
ATOM   1338 C C   . HIS A 1 163 ? -6.568  25.972 35.787 1.000 27.553 0 161 HIS AAA C   1 ? 
ATOM   1339 O O   . HIS A 1 163 ? -7.109  26.864 36.493 1.000 28.485 0 161 HIS AAA O   1 ? 
ATOM   1340 C CB  . HIS A 1 163 ? -4.209  26.817 35.476 1.000 23.257 0 161 HIS AAA CB  1 ? 
ATOM   1341 C CG  . HIS A 1 163 ? -3.513  25.630 36.023 1.000 21.770 0 161 HIS AAA CG  1 ? 
ATOM   1342 N ND1 . HIS A 1 163 ? -3.637  25.275 37.343 1.000 22.375 0 161 HIS AAA ND1 1 ? 
ATOM   1343 C CD2 . HIS A 1 163 ? -2.771  24.669 35.426 1.000 21.350 0 161 HIS AAA CD2 1 ? 
ATOM   1344 C CE1 . HIS A 1 163 ? -2.987  24.156 37.548 1.000 24.675 0 161 HIS AAA CE1 1 ? 
ATOM   1345 N NE2 . HIS A 1 163 ? -2.427  23.774 36.394 1.000 22.626 0 161 HIS AAA NE2 1 ? 
ATOM   1346 N N   . LYS A 1 164 ? -6.784  24.667 35.916 1.000 31.926 0 162 LYS AAA N   1 ? 
ATOM   1347 C CA  . LYS A 1 164 ? -7.766  24.122 36.896 1.000 44.597 0 162 LYS AAA CA  1 ? 
ATOM   1348 C C   . LYS A 1 164 ? -7.060  23.908 38.244 1.000 42.657 0 162 LYS AAA C   1 ? 
ATOM   1349 O O   . LYS A 1 164 ? -6.095  23.126 38.294 1.000 44.107 0 162 LYS AAA O   1 ? 
ATOM   1350 C CB  . LYS A 1 164 ? -8.405  22.849 36.335 1.000 48.919 0 162 LYS AAA CB  1 ? 
ATOM   1351 C CG  . LYS A 1 164 ? -8.941  22.987 34.913 1.000 57.220 0 162 LYS AAA CG  1 ? 
ATOM   1352 C CD  . LYS A 1 164 ? -9.559  21.713 34.377 1.000 62.149 0 162 LYS AAA CD  1 ? 
ATOM   1353 C CE  . LYS A 1 164 ? -9.741  21.729 32.873 1.000 68.592 0 162 LYS AAA CE  1 ? 
ATOM   1354 N NZ  . LYS A 1 164 ? -8.446  21.636 32.153 1.000 73.789 0 162 LYS AAA NZ  1 ? 
ATOM   1355 N N   . GLU A 1 165 ? -7.530  24.588 39.290 1.000 47.844 0 163 GLU AAA N   1 ? 
ATOM   1356 C CA  . GLU A 1 165 ? -6.977  24.500 40.674 1.000 53.062 0 163 GLU AAA CA  1 ? 
ATOM   1357 C C   . GLU A 1 165 ? -7.138  23.063 41.196 1.000 62.205 0 163 GLU AAA C   1 ? 
ATOM   1358 O O   . GLU A 1 165 ? -8.274  22.558 41.155 1.000 74.318 0 163 GLU AAA O   1 ? 
ATOM   1359 C CB  . GLU A 1 165 ? -7.698  25.504 41.583 1.000 51.184 0 163 GLU AAA CB  1 ? 
ATOM   1360 C CG  . GLU A 1 165 ? -7.181  25.513 43.016 1.000 51.395 0 163 GLU AAA CG  1 ? 
ATOM   1361 C CD  . GLU A 1 165 ? -5.722  25.930 43.121 1.000 48.219 0 163 GLU AAA CD  1 ? 
ATOM   1362 O OE1 . GLU A 1 165 ? -5.442  27.154 42.970 1.000 32.314 0 163 GLU AAA OE1 1 ? 
ATOM   1363 O OE2 . GLU A 1 165 ? -4.870  25.020 43.288 1.000 56.669 0 163 GLU AAA OE2 1 ? 
ATOM   1364 N N   . LYS A 1 166 ? -6.060  22.451 41.699 1.000 68.911 0 164 LYS AAA N   1 ? 
ATOM   1365 C CA  . LYS A 1 166 ? -6.002  21.016 42.102 1.000 74.025 0 164 LYS AAA CA  1 ? 
ATOM   1366 C C   . LYS A 1 166 ? -6.122  20.161 40.839 1.000 73.317 0 164 LYS AAA C   1 ? 
ATOM   1367 O O   . LYS A 1 166 ? -5.148  19.932 40.140 1.000 71.400 0 164 LYS AAA O   1 ? 
ATOM   1368 C CB  . LYS A 1 166 ? -7.094  20.653 43.119 1.000 76.870 0 164 LYS AAA CB  1 ? 
ATOM   1369 C CG  . LYS A 1 166 ? -6.930  21.259 44.509 1.000 77.357 0 164 LYS AAA CG  1 ? 
ATOM   1370 C CD  . LYS A 1 166 ? -5.632  20.882 45.203 1.000 76.038 0 164 LYS AAA CD  1 ? 
ATOM   1371 C CE  . LYS A 1 166 ? -5.426  19.387 45.340 1.000 78.548 0 164 LYS AAA CE  1 ? 
ATOM   1372 N NZ  . LYS A 1 166 ? -6.514  18.752 46.119 1.000 76.258 0 164 LYS AAA NZ  1 ? 
HETATM 1373 C C1  . GOL B 2 .   ? 12.940  -3.231 15.286 1.000 38.214 0 201 GOL AAA C1  1 ? 
HETATM 1374 O O1  . GOL B 2 .   ? 14.338  -3.177 15.032 1.000 23.589 0 201 GOL AAA O1  1 ? 
HETATM 1375 C C2  . GOL B 2 .   ? 12.228  -4.141 14.342 1.000 30.205 0 201 GOL AAA C2  1 ? 
HETATM 1376 O O2  . GOL B 2 .   ? 12.248  -3.589 13.027 1.000 21.481 0 201 GOL AAA O2  1 ? 
HETATM 1377 C C3  . GOL B 2 .   ? 12.908  -5.488 14.329 1.000 38.289 0 201 GOL AAA C3  1 ? 
HETATM 1378 O O3  . GOL B 2 .   ? 11.936  -6.514 14.374 1.000 23.607 0 201 GOL AAA O3  1 ? 
HETATM 1379 C C1  . GOL C 2 .   ? 7.459   21.613 25.778 1.000 35.734 0 202 GOL AAA C1  1 ? 
HETATM 1380 O O1  . GOL C 2 .   ? 7.097   20.733 26.842 1.000 38.154 0 202 GOL AAA O1  1 ? 
HETATM 1381 C C2  . GOL C 2 .   ? 6.604   21.401 24.541 1.000 36.986 0 202 GOL AAA C2  1 ? 
HETATM 1382 O O2  . GOL C 2 .   ? 6.885   22.391 23.556 1.000 28.084 0 202 GOL AAA O2  1 ? 
HETATM 1383 C C3  . GOL C 2 .   ? 6.806   20.035 23.948 1.000 35.436 0 202 GOL AAA C3  1 ? 
HETATM 1384 O O3  . GOL C 2 .   ? 8.187   19.754 23.770 1.000 34.339 0 202 GOL AAA O3  1 ? 
HETATM 1385 O O   . HOH D 3 .   ? 15.663  14.116 19.871 1.000 32.708 0 301 HOH AAA O   1 ? 
HETATM 1386 O O   . HOH D 3 .   ? -6.109  29.457 42.235 1.000 46.452 0 302 HOH AAA O   1 ? 
HETATM 1387 O O   . HOH D 3 .   ? -5.520  32.566 31.132 1.000 34.630 0 303 HOH AAA O   1 ? 
HETATM 1388 O O   . HOH D 3 .   ? -8.691  1.014  10.822 1.000 30.998 0 304 HOH AAA O   1 ? 
HETATM 1389 O O   . HOH D 3 .   ? 7.667   11.278 33.785 1.000 33.403 0 305 HOH AAA O   1 ? 
HETATM 1390 O O   . HOH D 3 .   ? -8.318  18.294 23.647 1.000 26.552 0 306 HOH AAA O   1 ? 
HETATM 1391 O O   . HOH D 3 .   ? -6.524  13.227 12.194 1.000 22.420 0 307 HOH AAA O   1 ? 
HETATM 1392 O O   . HOH D 3 .   ? 17.496  8.437  26.854 1.000 39.700 0 308 HOH AAA O   1 ? 
HETATM 1393 O O   . HOH D 3 .   ? -15.751 22.112 14.773 1.000 41.840 0 309 HOH AAA O   1 ? 
HETATM 1394 O O   . HOH D 3 .   ? -6.606  4.775  8.566  1.000 51.487 0 310 HOH AAA O   1 ? 
HETATM 1395 O O   . HOH D 3 .   ? -3.426  19.097 12.039 1.000 25.778 0 311 HOH AAA O   1 ? 
HETATM 1396 O O   . HOH D 3 .   ? 7.372   25.009 28.807 1.000 26.534 0 312 HOH AAA O   1 ? 
HETATM 1397 O O   . HOH D 3 .   ? 21.133  14.588 21.020 1.000 36.520 0 313 HOH AAA O   1 ? 
HETATM 1398 O O   . HOH D 3 .   ? 5.800   28.588 28.378 1.000 28.545 0 314 HOH AAA O   1 ? 
HETATM 1399 O O   . HOH D 3 .   ? 5.041   30.143 3.075  1.000 53.659 0 315 HOH AAA O   1 ? 
HETATM 1400 O O   . HOH D 3 .   ? 12.554  7.727  0.245  1.000 24.382 0 316 HOH AAA O   1 ? 
HETATM 1401 O O   . HOH D 3 .   ? -3.441  -3.850 6.429  1.000 24.202 0 317 HOH AAA O   1 ? 
HETATM 1402 O O   . HOH D 3 .   ? 7.920   25.881 26.129 1.000 36.871 0 318 HOH AAA O   1 ? 
HETATM 1403 O O   . HOH D 3 .   ? -1.173  1.574  22.154 1.000 21.224 0 319 HOH AAA O   1 ? 
HETATM 1404 O O   . HOH D 3 .   ? 0.486   29.721 33.516 1.000 19.855 0 320 HOH AAA O   1 ? 
HETATM 1405 O O   . HOH D 3 .   ? -0.725  16.517 6.858  1.000 31.561 0 321 HOH AAA O   1 ? 
HETATM 1406 O O   . HOH D 3 .   ? 15.513  10.588 13.939 1.000 18.455 0 322 HOH AAA O   1 ? 
HETATM 1407 O O   . HOH D 3 .   ? -4.766  12.505 9.753  1.000 22.421 0 323 HOH AAA O   1 ? 
HETATM 1408 O O   . HOH D 3 .   ? 7.388   -7.574 11.245 1.000 19.261 0 324 HOH AAA O   1 ? 
HETATM 1409 O O   . HOH D 3 .   ? 7.078   6.830  15.715 1.000 16.141 0 325 HOH AAA O   1 ? 
HETATM 1410 O O   . HOH D 3 .   ? 20.427  13.995 14.794 1.000 38.898 0 326 HOH AAA O   1 ? 
HETATM 1411 O O   . HOH D 3 .   ? 6.305   22.440 28.800 1.000 22.499 0 327 HOH AAA O   1 ? 
HETATM 1412 O O   . HOH D 3 .   ? 10.239  -3.376 5.575  1.000 16.086 0 328 HOH AAA O   1 ? 
HETATM 1413 O O   . HOH D 3 .   ? 1.685   27.266 13.020 1.000 31.853 0 329 HOH AAA O   1 ? 
HETATM 1414 O O   . HOH D 3 .   ? 3.044   22.475 6.513  1.000 29.514 0 330 HOH AAA O   1 ? 
HETATM 1415 O O   . HOH D 3 .   ? 11.577  -6.732 11.675 1.000 16.963 0 331 HOH AAA O   1 ? 
HETATM 1416 O O   . HOH D 3 .   ? 7.151   12.057 26.410 1.000 17.331 0 332 HOH AAA O   1 ? 
HETATM 1417 O O   . HOH D 3 .   ? 16.439  12.884 3.958  1.000 38.500 0 333 HOH AAA O   1 ? 
HETATM 1418 O O   . HOH D 3 .   ? 5.311   -8.042 9.533  1.000 17.889 0 334 HOH AAA O   1 ? 
HETATM 1419 O O   . HOH D 3 .   ? 3.410   32.880 21.904 1.000 29.095 0 335 HOH AAA O   1 ? 
HETATM 1420 O O   . HOH D 3 .   ? 15.253  4.430  6.692  1.000 24.952 0 336 HOH AAA O   1 ? 
HETATM 1421 O O   . HOH D 3 .   ? -4.857  -1.502 9.329  1.000 32.242 0 337 HOH AAA O   1 ? 
HETATM 1422 O O   . HOH D 3 .   ? 9.196   11.867 6.443  1.000 24.071 0 338 HOH AAA O   1 ? 
HETATM 1423 O O   . HOH D 3 .   ? 0.773   32.406 33.880 1.000 32.952 0 339 HOH AAA O   1 ? 
HETATM 1424 O O   . HOH D 3 .   ? 13.395  21.858 11.490 1.000 29.111 0 340 HOH AAA O   1 ? 
HETATM 1425 O O   . HOH D 3 .   ? 14.692  14.692 0.000  0.500 29.084 0 341 HOH AAA O   1 ? 
HETATM 1426 O O   . HOH D 3 .   ? 12.731  -2.494 19.002 1.000 19.037 0 342 HOH AAA O   1 ? 
HETATM 1427 O O   . HOH D 3 .   ? 12.188  20.398 0.667  1.000 47.061 0 343 HOH AAA O   1 ? 
HETATM 1428 O O   . HOH D 3 .   ? -8.872  -5.804 14.305 1.000 29.128 0 344 HOH AAA O   1 ? 
HETATM 1429 O O   . HOH D 3 .   ? -14.626 25.474 15.189 1.000 30.153 0 345 HOH AAA O   1 ? 
HETATM 1430 O O   . HOH D 3 .   ? 12.151  2.886  14.106 1.000 19.623 0 346 HOH AAA O   1 ? 
HETATM 1431 O O   . HOH D 3 .   ? 3.367   6.247  1.242  1.000 37.338 0 347 HOH AAA O   1 ? 
HETATM 1432 O O   . HOH D 3 .   ? -6.696  1.464  22.266 1.000 35.841 0 348 HOH AAA O   1 ? 
HETATM 1433 O O   . HOH D 3 .   ? -11.921 11.015 10.286 1.000 56.572 0 349 HOH AAA O   1 ? 
HETATM 1434 O O   . HOH D 3 .   ? 2.382   28.108 15.310 1.000 37.418 0 350 HOH AAA O   1 ? 
HETATM 1435 O O   . HOH D 3 .   ? 7.656   9.479  6.484  1.000 18.574 0 351 HOH AAA O   1 ? 
HETATM 1436 O O   . HOH D 3 .   ? 9.665   22.602 23.491 1.000 28.575 0 352 HOH AAA O   1 ? 
HETATM 1437 O O   . HOH D 3 .   ? 13.574  21.127 33.134 1.000 20.815 0 353 HOH AAA O   1 ? 
HETATM 1438 O O   . HOH D 3 .   ? 14.191  13.992 23.997 1.000 22.008 0 354 HOH AAA O   1 ? 
HETATM 1439 O O   . HOH D 3 .   ? 12.607  11.360 1.097  1.000 32.066 0 355 HOH AAA O   1 ? 
HETATM 1440 O O   . HOH D 3 .   ? 11.317  13.270 33.821 1.000 36.041 0 356 HOH AAA O   1 ? 
HETATM 1441 O O   . HOH D 3 .   ? 0.693   2.972  23.803 1.000 22.499 0 357 HOH AAA O   1 ? 
HETATM 1442 O O   . HOH D 3 .   ? 17.530  13.153 27.150 1.000 33.618 0 358 HOH AAA O   1 ? 
HETATM 1443 O O   . HOH D 3 .   ? -5.567  22.599 34.441 1.000 50.438 0 359 HOH AAA O   1 ? 
HETATM 1444 O O   . HOH D 3 .   ? 9.767   21.718 12.723 1.000 26.531 0 360 HOH AAA O   1 ? 
HETATM 1445 O O   . HOH D 3 .   ? -1.789  20.475 1.916  1.000 43.881 0 361 HOH AAA O   1 ? 
HETATM 1446 O O   . HOH D 3 .   ? -2.433  2.027  3.192  1.000 21.395 0 362 HOH AAA O   1 ? 
HETATM 1447 O O   . HOH D 3 .   ? 14.081  -3.673 2.369  1.000 43.365 0 363 HOH AAA O   1 ? 
HETATM 1448 O O   . HOH D 3 .   ? -6.835  8.598  4.307  1.000 36.097 0 364 HOH AAA O   1 ? 
HETATM 1449 O O   . HOH D 3 .   ? -11.027 35.049 30.200 1.000 52.127 0 365 HOH AAA O   1 ? 
HETATM 1450 O O   . HOH D 3 .   ? 5.932   23.236 38.814 1.000 39.352 0 366 HOH AAA O   1 ? 
HETATM 1451 O O   . HOH D 3 .   ? 14.816  12.357 21.712 1.000 21.377 0 367 HOH AAA O   1 ? 
HETATM 1452 O O   . HOH D 3 .   ? 9.611   0.079  2.302  1.000 18.679 0 368 HOH AAA O   1 ? 
HETATM 1453 O O   . HOH D 3 .   ? -2.958  -0.805 21.288 1.000 35.943 0 369 HOH AAA O   1 ? 
HETATM 1454 O O   . HOH D 3 .   ? 5.621   -9.007 2.092  1.000 52.850 0 370 HOH AAA O   1 ? 
HETATM 1455 O O   . HOH D 3 .   ? -5.056  21.247 32.280 1.000 32.855 0 371 HOH AAA O   1 ? 
HETATM 1456 O O   . HOH D 3 .   ? 13.694  1.366  11.277 1.000 34.504 0 372 HOH AAA O   1 ? 
HETATM 1457 O O   . HOH D 3 .   ? -7.386  11.745 23.710 1.000 33.614 0 373 HOH AAA O   1 ? 
HETATM 1458 O O   . HOH D 3 .   ? 0.285   22.522 37.755 1.000 26.654 0 374 HOH AAA O   1 ? 
HETATM 1459 O O   . HOH D 3 .   ? 9.355   17.713 36.570 1.000 52.385 0 375 HOH AAA O   1 ? 
HETATM 1460 O O   . HOH D 3 .   ? -10.009 25.326 32.421 1.000 41.834 0 376 HOH AAA O   1 ? 
HETATM 1461 O O   . HOH D 3 .   ? 7.561   27.312 33.571 1.000 27.517 0 377 HOH AAA O   1 ? 
HETATM 1462 O O   . HOH D 3 .   ? 9.270   15.607 32.720 1.000 23.506 0 378 HOH AAA O   1 ? 
HETATM 1463 O O   . HOH D 3 .   ? 19.662  9.128  24.819 1.000 48.614 0 379 HOH AAA O   1 ? 
HETATM 1464 O O   . HOH D 3 .   ? 26.091  18.579 12.073 1.000 50.676 0 380 HOH AAA O   1 ? 
HETATM 1465 O O   . HOH D 3 .   ? -0.925  22.053 9.024  1.000 32.835 0 381 HOH AAA O   1 ? 
HETATM 1466 O O   . HOH D 3 .   ? -2.405  -3.821 11.792 1.000 50.164 0 382 HOH AAA O   1 ? 
HETATM 1467 O O   . HOH D 3 .   ? 4.153   13.731 32.284 1.000 45.249 0 383 HOH AAA O   1 ? 
HETATM 1468 O O   . HOH D 3 .   ? 1.248   24.120 5.543  1.000 38.274 0 384 HOH AAA O   1 ? 
HETATM 1469 O O   . HOH D 3 .   ? 0.432   33.067 17.842 1.000 39.721 0 385 HOH AAA O   1 ? 
HETATM 1470 O O   . HOH D 3 .   ? 0.789   15.804 4.725  1.000 27.515 0 386 HOH AAA O   1 ? 
HETATM 1471 O O   . HOH D 3 .   ? -14.070 23.089 23.276 1.000 32.384 0 387 HOH AAA O   1 ? 
HETATM 1472 O O   . HOH D 3 .   ? -6.654  17.080 29.478 1.000 52.694 0 388 HOH AAA O   1 ? 
HETATM 1473 O O   . HOH D 3 .   ? 15.975  20.092 7.150  1.000 36.704 0 389 HOH AAA O   1 ? 
HETATM 1474 O O   . HOH D 3 .   ? 8.311   31.190 33.576 1.000 23.481 0 390 HOH AAA O   1 ? 
HETATM 1475 O O   . HOH D 3 .   ? -12.790 27.253 13.774 1.000 37.487 0 391 HOH AAA O   1 ? 
HETATM 1476 O O   . HOH D 3 .   ? -11.361 24.724 8.778  1.000 43.321 0 392 HOH AAA O   1 ? 
HETATM 1477 O O   . HOH D 3 .   ? 13.959  22.062 14.076 1.000 23.097 0 393 HOH AAA O   1 ? 
HETATM 1478 O O   . HOH D 3 .   ? 18.545  10.714 7.719  1.000 37.415 0 394 HOH AAA O   1 ? 
HETATM 1479 O O   . HOH D 3 .   ? -0.847  23.339 4.043  1.000 46.897 0 395 HOH AAA O   1 ? 
HETATM 1480 O O   . HOH D 3 .   ? -5.735  22.638 30.201 1.000 45.756 0 396 HOH AAA O   1 ? 
HETATM 1481 O O   . HOH D 3 .   ? 16.056  17.353 6.295  1.000 33.761 0 397 HOH AAA O   1 ? 
HETATM 1482 O O   . HOH D 3 .   ? 17.107  12.773 8.645  1.000 58.814 0 398 HOH AAA O   1 ? 
HETATM 1483 O O   . HOH D 3 .   ? -11.348 14.162 9.804  1.000 47.819 0 399 HOH AAA O   1 ? 
HETATM 1484 O O   . HOH D 3 .   ? -2.273  -5.051 9.084  1.000 42.403 0 400 HOH AAA O   1 ? 
HETATM 1485 O O   . HOH D 3 .   ? 19.855  2.191  21.491 1.000 30.756 0 401 HOH AAA O   1 ? 
HETATM 1486 O O   . HOH D 3 .   ? 12.319  0.225  2.289  1.000 53.335 0 402 HOH AAA O   1 ? 
HETATM 1487 O O   . HOH D 3 .   ? -13.224 18.363 23.799 1.000 43.080 0 403 HOH AAA O   1 ? 
HETATM 1488 O O   . HOH D 3 .   ? -8.814  13.148 13.795 1.000 49.803 0 404 HOH AAA O   1 ? 
HETATM 1489 O O   . HOH D 3 .   ? -2.622  20.379 8.407  1.000 45.598 0 405 HOH AAA O   1 ? 
HETATM 1490 O O   . HOH D 3 .   ? 18.114  14.857 10.393 1.000 48.679 0 406 HOH AAA O   1 ? 
HETATM 1491 O O   . HOH D 3 .   ? 1.321   20.917 8.222  1.000 30.061 0 407 HOH AAA O   1 ? 
HETATM 1492 O O   . HOH D 3 .   ? 19.177  13.319 12.246 1.000 33.397 0 408 HOH AAA O   1 ? 
HETATM 1493 O O   . HOH D 3 .   ? 11.396  22.592 14.979 1.000 19.026 0 409 HOH AAA O   1 ? 
# 
