data_9GLM
# 
_entry.id   9GLM 
# 
_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   9GLM         pdb_00009glm 10.2210/pdb9glm/pdb 
WWPDB D_1292141257 ?            ?                   
# 
_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                        9GLM 
_pdbx_database_status.recvd_initial_deposition_date   2024-08-27 
_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 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB 'UFC1 Wild type'     2Z6O unspecified 
PDB 'UFC1 Y110A & F121A' 7NVJ 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 
'Kumar, M.'    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' 19601.508 1   ? W145F ? 
'Tryptophan at position 145 is mutated to Phenyl alanine' 
2 non-polymer syn GLYCEROL                                       92.094    1   ? ?     ? ? 
3 water       nat water                                          18.015    156 ? ?     ? ? 
# 
_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
EFDIEFDIPITYPTTAPEIAVPELDGKTAKMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPFLAVEIPDLIQKGV
IHHKEKCNQ
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GSMADEATRRVVSEIPVLKTNAGPRDRELWVQRLKEEYQSLIRYVENNKNADNDWFRLESNKEGTRWFGKCWYIHDLLKY
EFDIEFDIPITYPTTAPEIAVPELDGKTAKMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPFLAVEIPDLIQKGV
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 THR n 
1 109 ALA n 
1 110 LYS 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 PHE 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               ? 
_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 THR 108 106 106 THR THR AAA . n 
A 1 109 ALA 109 107 107 ALA ALA AAA . n 
A 1 110 LYS 110 108 108 LYS LYS 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 PHE 147 145 145 PHE PHE 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 ?   ?   ?   AAA . n 
A 1 165 GLU 165 163 ?   ?   ?   AAA . n 
A 1 166 LYS 166 164 ?   ?   ?   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 3 HOH 1   301 148 HOH HOH AAA . 
C 3 HOH 2   302 153 HOH HOH AAA . 
C 3 HOH 3   303 36  HOH HOH AAA . 
C 3 HOH 4   304 109 HOH HOH AAA . 
C 3 HOH 5   305 86  HOH HOH AAA . 
C 3 HOH 6   306 30  HOH HOH AAA . 
C 3 HOH 7   307 71  HOH HOH AAA . 
C 3 HOH 8   308 25  HOH HOH AAA . 
C 3 HOH 9   309 116 HOH HOH AAA . 
C 3 HOH 10  310 89  HOH HOH AAA . 
C 3 HOH 11  311 91  HOH HOH AAA . 
C 3 HOH 12  312 57  HOH HOH AAA . 
C 3 HOH 13  313 15  HOH HOH AAA . 
C 3 HOH 14  314 40  HOH HOH AAA . 
C 3 HOH 15  315 35  HOH HOH AAA . 
C 3 HOH 16  316 54  HOH HOH AAA . 
C 3 HOH 17  317 90  HOH HOH AAA . 
C 3 HOH 18  318 131 HOH HOH AAA . 
C 3 HOH 19  319 4   HOH HOH AAA . 
C 3 HOH 20  320 55  HOH HOH AAA . 
C 3 HOH 21  321 75  HOH HOH AAA . 
C 3 HOH 22  322 150 HOH HOH AAA . 
C 3 HOH 23  323 97  HOH HOH AAA . 
C 3 HOH 24  324 122 HOH HOH AAA . 
C 3 HOH 25  325 33  HOH HOH AAA . 
C 3 HOH 26  326 59  HOH HOH AAA . 
C 3 HOH 27  327 27  HOH HOH AAA . 
C 3 HOH 28  328 123 HOH HOH AAA . 
C 3 HOH 29  329 29  HOH HOH AAA . 
C 3 HOH 30  330 96  HOH HOH AAA . 
C 3 HOH 31  331 82  HOH HOH AAA . 
C 3 HOH 32  332 56  HOH HOH AAA . 
C 3 HOH 33  333 80  HOH HOH AAA . 
C 3 HOH 34  334 19  HOH HOH AAA . 
C 3 HOH 35  335 24  HOH HOH AAA . 
C 3 HOH 36  336 121 HOH HOH AAA . 
C 3 HOH 37  337 45  HOH HOH AAA . 
C 3 HOH 38  338 87  HOH HOH AAA . 
C 3 HOH 39  339 85  HOH HOH AAA . 
C 3 HOH 40  340 83  HOH HOH AAA . 
C 3 HOH 41  341 120 HOH HOH AAA . 
C 3 HOH 42  342 111 HOH HOH AAA . 
C 3 HOH 43  343 66  HOH HOH AAA . 
C 3 HOH 44  344 98  HOH HOH AAA . 
C 3 HOH 45  345 6   HOH HOH AAA . 
C 3 HOH 46  346 31  HOH HOH AAA . 
C 3 HOH 47  347 88  HOH HOH AAA . 
C 3 HOH 48  348 104 HOH HOH AAA . 
C 3 HOH 49  349 44  HOH HOH AAA . 
C 3 HOH 50  350 34  HOH HOH AAA . 
C 3 HOH 51  351 7   HOH HOH AAA . 
C 3 HOH 52  352 61  HOH HOH AAA . 
C 3 HOH 53  353 49  HOH HOH AAA . 
C 3 HOH 54  354 17  HOH HOH AAA . 
C 3 HOH 55  355 42  HOH HOH AAA . 
C 3 HOH 56  356 129 HOH HOH AAA . 
C 3 HOH 57  357 60  HOH HOH AAA . 
C 3 HOH 58  358 18  HOH HOH AAA . 
C 3 HOH 59  359 125 HOH HOH AAA . 
C 3 HOH 60  360 51  HOH HOH AAA . 
C 3 HOH 61  361 101 HOH HOH AAA . 
C 3 HOH 62  362 69  HOH HOH AAA . 
C 3 HOH 63  363 95  HOH HOH AAA . 
C 3 HOH 64  364 8   HOH HOH AAA . 
C 3 HOH 65  365 13  HOH HOH AAA . 
C 3 HOH 66  366 77  HOH HOH AAA . 
C 3 HOH 67  367 39  HOH HOH AAA . 
C 3 HOH 68  368 81  HOH HOH AAA . 
C 3 HOH 69  369 38  HOH HOH AAA . 
C 3 HOH 70  370 2   HOH HOH AAA . 
C 3 HOH 71  371 46  HOH HOH AAA . 
C 3 HOH 72  372 41  HOH HOH AAA . 
C 3 HOH 73  373 74  HOH HOH AAA . 
C 3 HOH 74  374 10  HOH HOH AAA . 
C 3 HOH 75  375 118 HOH HOH AAA . 
C 3 HOH 76  376 26  HOH HOH AAA . 
C 3 HOH 77  377 12  HOH HOH AAA . 
C 3 HOH 78  378 37  HOH HOH AAA . 
C 3 HOH 79  379 128 HOH HOH AAA . 
C 3 HOH 80  380 126 HOH HOH AAA . 
C 3 HOH 81  381 127 HOH HOH AAA . 
C 3 HOH 82  382 9   HOH HOH AAA . 
C 3 HOH 83  383 70  HOH HOH AAA . 
C 3 HOH 84  384 73  HOH HOH AAA . 
C 3 HOH 85  385 141 HOH HOH AAA . 
C 3 HOH 86  386 23  HOH HOH AAA . 
C 3 HOH 87  387 21  HOH HOH AAA . 
C 3 HOH 88  388 5   HOH HOH AAA . 
C 3 HOH 89  389 137 HOH HOH AAA . 
C 3 HOH 90  390 105 HOH HOH AAA . 
C 3 HOH 91  391 16  HOH HOH AAA . 
C 3 HOH 92  392 48  HOH HOH AAA . 
C 3 HOH 93  393 1   HOH HOH AAA . 
C 3 HOH 94  394 94  HOH HOH AAA . 
C 3 HOH 95  395 79  HOH HOH AAA . 
C 3 HOH 96  396 43  HOH HOH AAA . 
C 3 HOH 97  397 67  HOH HOH AAA . 
C 3 HOH 98  398 72  HOH HOH AAA . 
C 3 HOH 99  399 3   HOH HOH AAA . 
C 3 HOH 100 400 110 HOH HOH AAA . 
C 3 HOH 101 401 11  HOH HOH AAA . 
C 3 HOH 102 402 53  HOH HOH AAA . 
C 3 HOH 103 403 136 HOH HOH AAA . 
C 3 HOH 104 404 99  HOH HOH AAA . 
C 3 HOH 105 405 106 HOH HOH AAA . 
C 3 HOH 106 406 62  HOH HOH AAA . 
C 3 HOH 107 407 138 HOH HOH AAA . 
C 3 HOH 108 408 63  HOH HOH AAA . 
C 3 HOH 109 409 146 HOH HOH AAA . 
C 3 HOH 110 410 52  HOH HOH AAA . 
C 3 HOH 111 411 28  HOH HOH AAA . 
C 3 HOH 112 412 64  HOH HOH AAA . 
C 3 HOH 113 413 108 HOH HOH AAA . 
C 3 HOH 114 414 143 HOH HOH AAA . 
C 3 HOH 115 415 142 HOH HOH AAA . 
C 3 HOH 116 416 115 HOH HOH AAA . 
C 3 HOH 117 417 14  HOH HOH AAA . 
C 3 HOH 118 418 93  HOH HOH AAA . 
C 3 HOH 119 419 78  HOH HOH AAA . 
C 3 HOH 120 420 32  HOH HOH AAA . 
C 3 HOH 121 421 20  HOH HOH AAA . 
C 3 HOH 122 422 22  HOH HOH AAA . 
C 3 HOH 123 423 135 HOH HOH AAA . 
C 3 HOH 124 424 114 HOH HOH AAA . 
C 3 HOH 125 425 47  HOH HOH AAA . 
C 3 HOH 126 426 117 HOH HOH AAA . 
C 3 HOH 127 427 50  HOH HOH AAA . 
C 3 HOH 128 428 58  HOH HOH AAA . 
C 3 HOH 129 429 134 HOH HOH AAA . 
C 3 HOH 130 430 65  HOH HOH AAA . 
C 3 HOH 131 431 132 HOH HOH AAA . 
C 3 HOH 132 432 68  HOH HOH AAA . 
C 3 HOH 133 433 119 HOH HOH AAA . 
C 3 HOH 134 434 130 HOH HOH AAA . 
C 3 HOH 135 435 154 HOH HOH AAA . 
C 3 HOH 136 436 107 HOH HOH AAA . 
C 3 HOH 137 437 113 HOH HOH AAA . 
C 3 HOH 138 438 124 HOH HOH AAA . 
C 3 HOH 139 439 159 HOH HOH AAA . 
C 3 HOH 140 440 149 HOH HOH AAA . 
C 3 HOH 141 441 102 HOH HOH AAA . 
C 3 HOH 142 442 84  HOH HOH AAA . 
C 3 HOH 143 443 155 HOH HOH AAA . 
C 3 HOH 144 444 103 HOH HOH AAA . 
C 3 HOH 145 445 100 HOH HOH AAA . 
C 3 HOH 146 446 76  HOH HOH AAA . 
C 3 HOH 147 447 156 HOH HOH AAA . 
C 3 HOH 148 448 144 HOH HOH AAA . 
C 3 HOH 149 449 158 HOH HOH AAA . 
C 3 HOH 150 450 151 HOH HOH AAA . 
C 3 HOH 151 451 92  HOH HOH AAA . 
C 3 HOH 152 452 152 HOH HOH AAA . 
C 3 HOH 153 453 139 HOH HOH AAA . 
C 3 HOH 154 454 160 HOH HOH AAA . 
C 3 HOH 155 455 157 HOH HOH AAA . 
C 3 HOH 156 456 161 HOH HOH AAA . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 AAA LYS 77  ? NZ  ? A LYS 79  NZ  
2 1 Y 1 AAA LYS 108 ? CE  ? A LYS 110 CE  
3 1 Y 1 AAA LYS 108 ? NZ  ? A LYS 110 NZ  
4 1 Y 1 AAA HIS 160 ? CG  ? A HIS 162 CG  
5 1 Y 1 AAA HIS 160 ? ND1 ? A HIS 162 ND1 
6 1 Y 1 AAA HIS 160 ? CD2 ? A HIS 162 CD2 
7 1 Y 1 AAA HIS 160 ? CE1 ? A HIS 162 CE1 
8 1 Y 1 AAA HIS 160 ? NE2 ? A HIS 162 NE2 
# 
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' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .                  2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? .                  3 
? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot   ? ? ? 'WinCoot 0.9.6 EL' 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                     9GLM 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     46.950 
_cell.length_a_esd                 ? 
_cell.length_b                     46.950 
_cell.length_b_esd                 ? 
_cell.length_c                     143.900 
_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                         9GLM 
_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                   9GLM 
_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             2.02 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          39.19 
_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              7.0 
_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    '1.5M Ammonium sulfate; 0.1M Bis-Tris propane pH 7.0' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     298 
_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 PILATUS 200K' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-08-24 
_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   1.54187 
_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                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        RIGAKU 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.54187 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          18.26 
_reflns.entry_id                                       9GLM 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.79 
_reflns.d_resolution_low                               35.97 
_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                                     15997 
_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                           99.93 
_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                          18.78 
_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                                0.03872 
_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                                   1 
_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                                    1.79 
_reflns_shell.d_res_low                                     1.854 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.62 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1549 
_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                               0.3525 
_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                                  0.829 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          99.94 
_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]                            -0.259 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.259 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.517 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               18.932 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.952 
_refine.correlation_coeff_Fo_to_Fc_free          0.932 
_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                                 9GLM 
_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                            1.790 
_refine.ls_d_res_low                             35.97 
_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                     15997 
_refine.ls_number_reflns_R_free                  787 
_refine.ls_number_reflns_R_work                  15210 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.931 
_refine.ls_percent_reflns_R_free                 4.920 
_refine.ls_R_factor_all                          0.195 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2380 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1924 
_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                       0.142 
_refine.pdbx_overall_ESU_R_Free                  0.137 
_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                             3.310 
_refine.overall_SU_ML                            0.103 
_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.pdbx_number_atoms_protein        1319 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         6 
_refine_hist.number_atoms_solvent             156 
_refine_hist.number_atoms_total               1481 
_refine_hist.d_res_high                       1.790 
_refine_hist.d_res_low                        35.97 
# 
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' ? 0.009  0.013  1395 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.015  1315 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.536  1.647  1897 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.404  1.582  3031 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.407  5.000  169  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 30.915 21.538 78   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.597 15.000 238  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.153 15.000 11   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.080  0.200  175  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.008  0.020  1577 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  333  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.216  0.200  294  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.210  0.200  1249 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.172  0.200  684  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.079  0.200  571  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.125  0.200  104  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.342  0.200  11   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.223  0.200  44   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.174  0.200  20   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.452  1.742  667  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.408  1.739  666  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.077  2.600  839  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.078  2.603  840  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.233  2.057  728  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.232  2.058  729  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.582  2.962  1058 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.580  2.963  1059 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.070  21.374 1648 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.985  21.050 1625 ? 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' 1.790 1.836 . . 53 1096 99.9130  . . . . 0.262 . . . . . . . . . . . 0.304 
'X-RAY DIFFRACTION' 1.836 1.887 . . 72 1056 99.9114  . . . . 0.238 . . . . . . . . . . . 0.332 
'X-RAY DIFFRACTION' 1.887 1.941 . . 58 1033 100.0000 . . . . 0.215 . . . . . . . . . . . 0.249 
'X-RAY DIFFRACTION' 1.941 2.001 . . 45 1010 100.0000 . . . . 0.206 . . . . . . . . . . . 0.249 
'X-RAY DIFFRACTION' 2.001 2.066 . . 46 981  100.0000 . . . . 0.197 . . . . . . . . . . . 0.258 
'X-RAY DIFFRACTION' 2.066 2.139 . . 41 976  100.0000 . . . . 0.195 . . . . . . . . . . . 0.255 
'X-RAY DIFFRACTION' 2.139 2.219 . . 43 917  100.0000 . . . . 0.190 . . . . . . . . . . . 0.293 
'X-RAY DIFFRACTION' 2.219 2.310 . . 56 858  100.0000 . . . . 0.178 . . . . . . . . . . . 0.271 
'X-RAY DIFFRACTION' 2.310 2.412 . . 45 863  100.0000 . . . . 0.185 . . . . . . . . . . . 0.205 
'X-RAY DIFFRACTION' 2.412 2.529 . . 38 822  100.0000 . . . . 0.195 . . . . . . . . . . . 0.282 
'X-RAY DIFFRACTION' 2.529 2.666 . . 35 795  100.0000 . . . . 0.209 . . . . . . . . . . . 0.323 
'X-RAY DIFFRACTION' 2.666 2.827 . . 37 743  100.0000 . . . . 0.195 . . . . . . . . . . . 0.229 
'X-RAY DIFFRACTION' 2.827 3.021 . . 32 719  100.0000 . . . . 0.206 . . . . . . . . . . . 0.274 
'X-RAY DIFFRACTION' 3.021 3.262 . . 35 648  100.0000 . . . . 0.191 . . . . . . . . . . . 0.161 
'X-RAY DIFFRACTION' 3.262 3.571 . . 34 615  100.0000 . . . . 0.178 . . . . . . . . . . . 0.196 
'X-RAY DIFFRACTION' 3.571 3.990 . . 35 560  100.0000 . . . . 0.159 . . . . . . . . . . . 0.231 
'X-RAY DIFFRACTION' 3.990 4.601 . . 27 498  100.0000 . . . . 0.156 . . . . . . . . . . . 0.179 
'X-RAY DIFFRACTION' 4.601 5.620 . . 21 443  100.0000 . . . . 0.177 . . . . . . . . . . . 0.234 
'X-RAY DIFFRACTION' 5.620 7.886 . . 26 351  100.0000 . . . . 0.212 . . . . . . . . . . . 0.228 
'X-RAY DIFFRACTION' 7.886 35.97 . . 8  221  96.2185  . . . . 0.223 . . . . . . . . . . . 0.178 
# 
_struct.entry_id                     9GLM 
_struct.title                        'Crystal Structure of UFC1 W145F' 
_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        9GLM 
_struct_keywords.text            
'UFM1 conjugating enzyme1, UBC core domain containing protein, Brain development, Infantile encephalopathy, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
# 
_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              9GLM 
_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 9GLM GLY AAA 1   ? UNP Q9Y3C8 ?   ?   'expression tag'      -1  1 
1 9GLM SER AAA 2   ? UNP Q9Y3C8 ?   ?   'expression tag'      0   2 
1 9GLM PHE AAA 147 ? UNP Q9Y3C8 TRP 145 'engineered mutation' 145 3 
1 9GLM HIS AAA 162 ? UNP Q9Y3C8 GLN 160 conflict              160 4 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_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 HIS A 122 ? VAL A 131 ? HIS AAA 120 VAL AAA 129 1 ? 10 
HELX_P HELX_P5 AA5 GLY A 135 ? GLY A 143 ? GLY AAA 133 GLY AAA 141 1 ? 9  
HELX_P HELX_P6 AA6 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 3.59 
2 VAL 131 A . ? VAL 129 AAA PRO 132 A ? PRO 130 AAA 1 0.01 
# 
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 TRP A 67  ? N TRP AAA 65  O PHE A 86  ? O PHE AAA 84  
AA2 1 2 N TYR A 112 ? N TYR AAA 110 O LYS A 116 ? O LYS AAA 114 
# 
_pdbx_entry_details.entry_id                   9GLM 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ARG 
_pdbx_validate_torsion.auth_asym_id    AAA 
_pdbx_validate_torsion.auth_seq_id     25 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             61.85 
_pdbx_validate_torsion.psi             -129.82 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 AAA HOH 363 ? C HOH . 
2 1 AAA HOH 379 ? C HOH . 
# 
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 LYS 162 ? A LYS 164 
3 1 Y 1 AAA GLU 163 ? A GLU 165 
4 1 Y 1 AAA LYS 164 ? A LYS 166 
5 1 Y 1 AAA CYS 165 ? A CYS 167 
6 1 Y 1 AAA ASN 166 ? A ASN 168 
7 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           491/2021 
_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                    9GLM 
_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]   0.021299 
_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]   0.021299 
_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]   0.006949 
_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 1.184   
# 
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   ? 22.808  24.381  5.847  1.000 34.350 0 0   SER AAA N   1 ? 
ATOM   2    C CA  . SER A 1 2   ? 21.377  24.697  6.092  1.000 31.827 0 0   SER AAA CA  1 ? 
ATOM   3    C C   . SER A 1 2   ? 21.133  24.741  7.608  1.000 31.660 0 0   SER AAA C   1 ? 
ATOM   4    O O   . SER A 1 2   ? 21.483  23.735  8.340  1.000 27.606 0 0   SER AAA O   1 ? 
ATOM   5    C CB  . SER A 1 2   ? 20.471  23.714  5.374  1.000 34.211 0 0   SER AAA CB  1 ? 
ATOM   6    O OG  . SER A 1 2   ? 19.212  23.579  6.005  1.000 33.805 0 0   SER AAA OG  1 ? 
ATOM   7    N N   . MET A 1 3   ? 20.673  25.901  8.094  1.000 28.920 0 1   MET AAA N   1 ? 
ATOM   8    C CA  . MET A 1 3   ? 20.156  26.033  9.472  1.000 23.115 0 1   MET AAA CA  1 ? 
ATOM   9    C C   . MET A 1 3   ? 19.041  25.012  9.646  1.000 21.318 0 1   MET AAA C   1 ? 
ATOM   10   O O   . MET A 1 3   ? 19.016  24.383  10.704 1.000 19.544 0 1   MET AAA O   1 ? 
ATOM   11   C CB  . MET A 1 3   ? 19.591  27.424  9.763  1.000 21.991 0 1   MET AAA CB  1 ? 
ATOM   12   C CG  . MET A 1 3   ? 20.638  28.437  10.081 1.000 20.713 0 1   MET AAA CG  1 ? 
ATOM   13   S SD  . MET A 1 3   ? 19.929  29.912  10.846 1.000 18.690 0 1   MET AAA SD  1 ? 
ATOM   14   C CE  . MET A 1 3   ? 19.452  29.292  12.442 1.000 18.296 0 1   MET AAA CE  1 ? 
ATOM   15   N N   . ALA A 1 4   ? 18.139  24.932  8.661  1.000 20.570 0 2   ALA AAA N   1 ? 
ATOM   16   C CA  . ALA A 1 4   ? 16.980  24.024  8.642  1.000 21.017 0 2   ALA AAA CA  1 ? 
ATOM   17   C C   . ALA A 1 4   ? 17.484  22.600  8.904  1.000 19.473 0 2   ALA AAA C   1 ? 
ATOM   18   O O   . ALA A 1 4   ? 17.023  21.958  9.822  1.000 16.194 0 2   ALA AAA O   1 ? 
ATOM   19   C CB  . ALA A 1 4   ? 16.269  24.117  7.320  1.000 23.636 0 2   ALA AAA CB  1 ? 
ATOM   20   N N   . ASP A 1 5   ? 18.476  22.160  8.145  1.000 19.794 0 3   ASP AAA N   1 ? 
ATOM   21   C CA  . ASP A 1 5   ? 18.971  20.761  8.255  1.000 19.998 0 3   ASP AAA CA  1 ? 
ATOM   22   C C   . ASP A 1 5   ? 19.540  20.523  9.663  1.000 17.223 0 3   ASP AAA C   1 ? 
ATOM   23   O O   . ASP A 1 5   ? 19.236  19.471  10.237 1.000 15.879 0 3   ASP AAA O   1 ? 
ATOM   24   C CB  . ASP A 1 5   ? 19.976  20.462  7.148  1.000 21.639 0 3   ASP AAA CB  1 ? 
ATOM   25   C CG  . ASP A 1 5   ? 19.344  20.294  5.780  1.000 23.548 0 3   ASP AAA CG  1 ? 
ATOM   26   O OD1 . ASP A 1 5   ? 18.108  20.259  5.700  1.000 24.765 0 3   ASP AAA OD1 1 ? 
ATOM   27   O OD2 . ASP A 1 5   ? 20.099  20.101  4.818  1.000 26.577 0 3   ASP AAA OD2 1 ? 
ATOM   28   N N   . GLU A 1 6   ? 20.360  21.433  10.197 1.000 15.462 0 4   GLU AAA N   1 ? 
ATOM   29   C CA  . GLU A 1 6   ? 20.981  21.254  11.545 1.000 15.134 0 4   GLU AAA CA  1 ? 
ATOM   30   C C   . GLU A 1 6   ? 19.900  21.292  12.629 1.000 14.002 0 4   GLU AAA C   1 ? 
ATOM   31   O O   . GLU A 1 6   ? 19.959  20.477  13.592 1.000 12.077 0 4   GLU AAA O   1 ? 
ATOM   32   C CB  . GLU A 1 6   ? 22.054  22.312  11.802 1.000 15.751 0 4   GLU AAA CB  1 ? 
ATOM   33   C CG  . GLU A 1 6   ? 22.676  22.223  13.193 1.000 17.269 0 4   GLU AAA CG  1 ? 
ATOM   34   C CD  . GLU A 1 6   ? 23.542  20.992  13.415 1.000 18.996 0 4   GLU AAA CD  1 ? 
ATOM   35   O OE1 . GLU A 1 6   ? 23.853  20.306  12.421 1.000 21.153 0 4   GLU AAA OE1 1 ? 
ATOM   36   O OE2 . GLU A 1 6   ? 23.886  20.720  14.564 1.000 20.557 0 4   GLU AAA OE2 1 ? 
ATOM   37   N N   . ALA A 1 7   ? 18.916  22.190  12.505 1.000 13.552 0 5   ALA AAA N   1 ? 
ATOM   38   C CA  . ALA A 1 7   ? 17.826  22.281  13.497 1.000 13.017 0 5   ALA AAA CA  1 ? 
ATOM   39   C C   . ALA A 1 7   ? 17.043  20.965  13.510 1.000 13.111 0 5   ALA AAA C   1 ? 
ATOM   40   O O   . ALA A 1 7   ? 16.721  20.443  14.608 1.000 11.628 0 5   ALA AAA O   1 ? 
ATOM   41   C CB  . ALA A 1 7   ? 16.938  23.459  13.186 1.000 14.556 0 5   ALA AAA CB  1 ? 
ATOM   42   N N   . THR A 1 8   ? 16.785  20.393  12.328 1.000 12.843 0 6   THR AAA N   1 ? 
ATOM   43   C CA  . THR A 1 8   ? 16.047  19.098  12.255 1.000 13.405 0 6   THR AAA CA  1 ? 
ATOM   44   C C   . THR A 1 8   ? 16.855  18.013  12.975 1.000 12.344 0 6   THR AAA C   1 ? 
ATOM   45   O O   . THR A 1 8   ? 16.275  17.276  13.815 1.000 13.031 0 6   THR AAA O   1 ? 
ATOM   46   C CB  . THR A 1 8   ? 15.740  18.694  10.818 1.000 12.969 0 6   THR AAA CB  1 ? 
ATOM   47   O OG1 . THR A 1 8   ? 14.971  19.773  10.282 1.000 13.779 0 6   THR AAA OG1 1 ? 
ATOM   48   C CG2 . THR A 1 8   ? 14.998  17.381  10.719 1.000 14.352 0 6   THR AAA CG2 1 ? 
ATOM   49   N N   A ARG A 1 9   ? 18.147  17.915  12.661 0.500 12.510 0 7   ARG AAA N   1 ? 
ATOM   50   N N   B ARG A 1 9   ? 18.147  17.910  12.670 0.500 12.611 0 7   ARG AAA N   1 ? 
ATOM   51   C CA  A ARG A 1 9   ? 19.052  16.881  13.222 0.500 12.514 0 7   ARG AAA CA  1 ? 
ATOM   52   C CA  B ARG A 1 9   ? 19.023  16.861  13.248 0.500 12.688 0 7   ARG AAA CA  1 ? 
ATOM   53   C C   A ARG A 1 9   ? 19.114  17.047  14.745 0.500 12.873 0 7   ARG AAA C   1 ? 
ATOM   54   C C   B ARG A 1 9   ? 19.096  17.043  14.764 0.500 12.964 0 7   ARG AAA C   1 ? 
ATOM   55   O O   A ARG A 1 9   ? 19.009  16.029  15.460 0.500 12.310 0 7   ARG AAA O   1 ? 
ATOM   56   O O   B ARG A 1 9   ? 18.989  16.034  15.492 0.500 12.366 0 7   ARG AAA O   1 ? 
ATOM   57   C CB  A ARG A 1 9   ? 20.440  16.976  12.587 0.500 13.181 0 7   ARG AAA CB  1 ? 
ATOM   58   C CB  B ARG A 1 9   ? 20.412  16.907  12.621 0.500 13.438 0 7   ARG AAA CB  1 ? 
ATOM   59   C CG  A ARG A 1 9   ? 21.378  15.841  12.969 0.500 13.594 0 7   ARG AAA CG  1 ? 
ATOM   60   C CG  B ARG A 1 9   ? 20.401  16.597  11.136 0.500 14.330 0 7   ARG AAA CG  1 ? 
ATOM   61   C CD  A ARG A 1 9   ? 22.835  16.170  12.693 0.500 14.625 0 7   ARG AAA CD  1 ? 
ATOM   62   C CD  B ARG A 1 9   ? 21.806  16.409  10.601 0.500 14.358 0 7   ARG AAA CD  1 ? 
ATOM   63   N NE  A ARG A 1 9   ? 23.405  17.252  13.492 0.500 14.603 0 7   ARG AAA NE  1 ? 
ATOM   64   N NE  B ARG A 1 9   ? 22.526  17.665  10.642 0.500 14.348 0 7   ARG AAA NE  1 ? 
ATOM   65   C CZ  A ARG A 1 9   ? 23.645  17.216  14.797 0.500 16.266 0 7   ARG AAA CZ  1 ? 
ATOM   66   C CZ  B ARG A 1 9   ? 22.736  18.415  9.570  0.500 13.552 0 7   ARG AAA CZ  1 ? 
ATOM   67   N NH1 A ARG A 1 9   ? 23.315  16.162  15.522 0.500 18.888 0 7   ARG AAA NH1 1 ? 
ATOM   68   N NH1 B ARG A 1 9   ? 22.297  17.991  8.399  0.500 13.976 0 7   ARG AAA NH1 1 ? 
ATOM   69   N NH2 A ARG A 1 9   ? 24.201  18.247  15.390 0.500 15.796 0 7   ARG AAA NH2 1 ? 
ATOM   70   N NH2 B ARG A 1 9   ? 23.388  19.554  9.672  0.500 12.649 0 7   ARG AAA NH2 1 ? 
ATOM   71   N N   . ARG A 1 10  ? 19.217  18.290  15.228 1.000 12.670 0 8   ARG AAA N   1 ? 
ATOM   72   C CA  . ARG A 1 10  ? 19.329  18.559  16.691 1.000 13.758 0 8   ARG AAA CA  1 ? 
ATOM   73   C C   . ARG A 1 10  ? 18.109  17.998  17.416 1.000 13.834 0 8   ARG AAA C   1 ? 
ATOM   74   O O   . ARG A 1 10  ? 18.263  17.473  18.499 1.000 13.780 0 8   ARG AAA O   1 ? 
ATOM   75   C CB  . ARG A 1 10  ? 19.498  20.041  16.989 1.000 15.228 0 8   ARG AAA CB  1 ? 
ATOM   76   C CG  . ARG A 1 10  ? 20.880  20.553  16.609 1.000 16.905 0 8   ARG AAA CG  1 ? 
ATOM   77   C CD  . ARG A 1 10  ? 21.994  20.256  17.592 1.000 17.460 0 8   ARG AAA CD  1 ? 
ATOM   78   N NE  . ARG A 1 10  ? 23.255  20.789  17.057 1.000 17.928 0 8   ARG AAA NE  1 ? 
ATOM   79   C CZ  . ARG A 1 10  ? 24.373  20.956  17.764 1.000 20.350 0 8   ARG AAA CZ  1 ? 
ATOM   80   N NH1 . ARG A 1 10  ? 24.380  20.651  19.052 1.000 20.403 0 8   ARG AAA NH1 1 ? 
ATOM   81   N NH2 . ARG A 1 10  ? 25.463  21.455  17.183 1.000 20.627 0 8   ARG AAA NH2 1 ? 
ATOM   82   N N   . VAL A 1 11  ? 16.934  18.120  16.821 1.000 12.873 0 9   VAL AAA N   1 ? 
ATOM   83   C CA  . VAL A 1 11  ? 15.662  17.657  17.439 1.000 14.147 0 9   VAL AAA CA  1 ? 
ATOM   84   C C   . VAL A 1 11  ? 15.513  16.141  17.309 1.000 14.023 0 9   VAL AAA C   1 ? 
ATOM   85   O O   . VAL A 1 11  ? 15.105  15.529  18.319 1.000 14.087 0 9   VAL AAA O   1 ? 
ATOM   86   C CB  . VAL A 1 11  ? 14.448  18.398  16.874 1.000 13.467 0 9   VAL AAA CB  1 ? 
ATOM   87   C CG1 . VAL A 1 11  ? 13.174  17.852  17.501 1.000 15.142 0 9   VAL AAA CG1 1 ? 
ATOM   88   C CG2 . VAL A 1 11  ? 14.552  19.896  17.079 1.000 14.712 0 9   VAL AAA CG2 1 ? 
ATOM   89   N N   . VAL A 1 12  ? 15.826  15.532  16.154 1.000 14.256 0 10  VAL AAA N   1 ? 
ATOM   90   C CA  . VAL A 1 12  ? 15.373  14.137  15.871 1.000 15.193 0 10  VAL AAA CA  1 ? 
ATOM   91   C C   . VAL A 1 12  ? 16.518  13.126  15.818 1.000 14.911 0 10  VAL AAA C   1 ? 
ATOM   92   O O   . VAL A 1 12  ? 16.186  11.965  15.553 1.000 13.227 0 10  VAL AAA O   1 ? 
ATOM   93   C CB  . VAL A 1 12  ? 14.543  14.063  14.576 1.000 15.776 0 10  VAL AAA CB  1 ? 
ATOM   94   C CG1 . VAL A 1 12  ? 13.366  15.003  14.677 1.000 17.320 0 10  VAL AAA CG1 1 ? 
ATOM   95   C CG2 . VAL A 1 12  ? 15.351  14.366  13.338 1.000 16.425 0 10  VAL AAA CG2 1 ? 
ATOM   96   N N   . SER A 1 13  ? 17.782  13.506  16.023 1.000 16.052 0 11  SER AAA N   1 ? 
ATOM   97   C CA  . SER A 1 13  ? 18.940  12.604  15.731 1.000 17.391 0 11  SER AAA CA  1 ? 
ATOM   98   C C   . SER A 1 13  ? 18.903  11.311  16.567 1.000 16.808 0 11  SER AAA C   1 ? 
ATOM   99   O O   . SER A 1 13  ? 19.575  10.332  16.132 1.000 16.385 0 11  SER AAA O   1 ? 
ATOM   100  C CB  . SER A 1 13  ? 20.291  13.307  15.883 1.000 18.011 0 11  SER AAA CB  1 ? 
ATOM   101  O OG  . SER A 1 13  ? 20.596  13.574  17.238 1.000 21.318 0 11  SER AAA OG  1 ? 
ATOM   102  N N   . GLU A 1 14  ? 18.289  11.333  17.754 1.000 15.511 0 12  GLU AAA N   1 ? 
ATOM   103  C CA  . GLU A 1 14  ? 18.273  10.183  18.700 1.000 16.106 0 12  GLU AAA CA  1 ? 
ATOM   104  C C   . GLU A 1 14  ? 16.927  9.446   18.586 1.000 15.267 0 12  GLU AAA C   1 ? 
ATOM   105  O O   . GLU A 1 14  ? 16.696  8.465   19.327 1.000 14.613 0 12  GLU AAA O   1 ? 
ATOM   106  C CB  . GLU A 1 14  ? 18.529  10.658  20.127 1.000 19.690 0 12  GLU AAA CB  1 ? 
ATOM   107  C CG  . GLU A 1 14  ? 19.878  11.349  20.309 1.000 23.573 0 12  GLU AAA CG  1 ? 
ATOM   108  C CD  . GLU A 1 14  ? 20.351  11.424  21.753 1.000 26.644 0 12  GLU AAA CD  1 ? 
ATOM   109  O OE1 . GLU A 1 14  ? 20.111  12.480  22.403 1.000 27.179 0 12  GLU AAA OE1 1 ? 
ATOM   110  O OE2 . GLU A 1 14  ? 20.961  10.424  22.232 1.000 30.684 0 12  GLU AAA OE2 1 ? 
ATOM   111  N N   . ILE A 1 15  ? 16.052  9.889   17.681 1.000 13.565 0 13  ILE AAA N   1 ? 
ATOM   112  C CA  . ILE A 1 15  ? 14.788  9.175   17.387 1.000 12.716 0 13  ILE AAA CA  1 ? 
ATOM   113  C C   . ILE A 1 15  ? 15.116  8.126   16.332 1.000 12.237 0 13  ILE AAA C   1 ? 
ATOM   114  O O   . ILE A 1 15  ? 15.627  8.462   15.255 1.000 13.031 0 13  ILE AAA O   1 ? 
ATOM   115  C CB  . ILE A 1 15  ? 13.662  10.117  16.942 1.000 12.077 0 13  ILE AAA CB  1 ? 
ATOM   116  C CG1 . ILE A 1 15  ? 13.358  11.175  17.998 1.000 12.051 0 13  ILE AAA CG1 1 ? 
ATOM   117  C CG2 . ILE A 1 15  ? 12.426  9.301   16.594 1.000 12.731 0 13  ILE AAA CG2 1 ? 
ATOM   118  C CD1 . ILE A 1 15  ? 12.366  12.214  17.539 1.000 11.934 0 13  ILE AAA CD1 1 ? 
ATOM   119  N N   . PRO A 1 16  ? 14.798  6.834   16.587 1.000 12.444 0 14  PRO AAA N   1 ? 
ATOM   120  C CA  . PRO A 1 16  ? 14.980  5.789   15.578 1.000 12.567 0 14  PRO AAA CA  1 ? 
ATOM   121  C C   . PRO A 1 16  ? 14.240  6.153   14.290 1.000 12.298 0 14  PRO AAA C   1 ? 
ATOM   122  O O   . PRO A 1 16  ? 13.127  6.586   14.304 1.000 12.433 0 14  PRO AAA O   1 ? 
ATOM   123  C CB  . PRO A 1 16  ? 14.398  4.519   16.202 1.000 11.968 0 14  PRO AAA CB  1 ? 
ATOM   124  C CG  . PRO A 1 16  ? 14.440  4.808   17.689 1.000 12.464 0 14  PRO AAA CG  1 ? 
ATOM   125  C CD  . PRO A 1 16  ? 14.175  6.299   17.808 1.000 12.168 0 14  PRO AAA CD  1 ? 
ATOM   126  N N   . VAL A 1 17  ? 14.922  5.946   13.176 1.000 14.139 0 15  VAL AAA N   1 ? 
ATOM   127  C CA  . VAL A 1 17  ? 14.444  6.231   11.796 1.000 13.784 0 15  VAL AAA CA  1 ? 
ATOM   128  C C   . VAL A 1 17  ? 13.553  5.061   11.399 1.000 13.981 0 15  VAL AAA C   1 ? 
ATOM   129  O O   . VAL A 1 17  ? 13.779  3.933   11.914 1.000 14.130 0 15  VAL AAA O   1 ? 
ATOM   130  C CB  . VAL A 1 17  ? 15.658  6.407   10.847 1.000 15.711 0 15  VAL AAA CB  1 ? 
ATOM   131  C CG1 . VAL A 1 17  ? 15.289  6.300   9.383  1.000 16.368 0 15  VAL AAA CG1 1 ? 
ATOM   132  C CG2 . VAL A 1 17  ? 16.358  7.723   11.097 1.000 16.122 0 15  VAL AAA CG2 1 ? 
ATOM   133  N N   . LEU A 1 18  ? 12.504  5.324   10.632 1.000 11.852 0 16  LEU AAA N   1 ? 
ATOM   134  C CA  . LEU A 1 18  ? 11.586  4.264   10.183 1.000 13.044 0 16  LEU AAA CA  1 ? 
ATOM   135  C C   . LEU A 1 18  ? 11.967  3.882   8.752  1.000 14.400 0 16  LEU AAA C   1 ? 
ATOM   136  O O   . LEU A 1 18  ? 12.761  4.605   8.130  1.000 12.456 0 16  LEU AAA O   1 ? 
ATOM   137  C CB  . LEU A 1 18  ? 10.148  4.738   10.320 1.000 12.950 0 16  LEU AAA CB  1 ? 
ATOM   138  C CG  . LEU A 1 18  ? 9.725   4.827   11.790 1.000 12.300 0 16  LEU AAA CG  1 ? 
ATOM   139  C CD1 . LEU A 1 18  ? 9.995   6.212   12.366 1.000 11.736 0 16  LEU AAA CD1 1 ? 
ATOM   140  C CD2 . LEU A 1 18  ? 8.296   4.416   11.949 1.000 13.096 0 16  LEU AAA CD2 1 ? 
ATOM   141  N N   . LYS A 1 19  ? 11.514  2.714   8.322  1.000 15.604 0 17  LYS AAA N   1 ? 
ATOM   142  C CA  . LYS A 1 19  ? 12.010  2.117   7.070  1.000 17.407 0 17  LYS AAA CA  1 ? 
ATOM   143  C C   . LYS A 1 19  ? 10.859  1.773   6.146  1.000 16.468 0 17  LYS AAA C   1 ? 
ATOM   144  O O   . LYS A 1 19  ? 10.986  2.005   4.946  1.000 15.932 0 17  LYS AAA O   1 ? 
ATOM   145  C CB  . LYS A 1 19  ? 12.802  0.837   7.350  1.000 21.248 0 17  LYS AAA CB  1 ? 
ATOM   146  C CG  . LYS A 1 19  ? 13.094  0.044   6.079  1.000 26.517 0 17  LYS AAA CG  1 ? 
ATOM   147  C CD  . LYS A 1 19  ? 14.009  -1.135  6.285  1.000 30.509 0 17  LYS AAA CD  1 ? 
ATOM   148  C CE  . LYS A 1 19  ? 13.278  -2.458  6.347  1.000 32.022 0 17  LYS AAA CE  1 ? 
ATOM   149  N NZ  . LYS A 1 19  ? 13.157  -3.083  5.009  1.000 32.190 0 17  LYS AAA NZ  1 ? 
ATOM   150  N N   . THR A 1 20  ? 9.823   1.112   6.645  1.000 14.096 0 18  THR AAA N   1 ? 
ATOM   151  C CA  . THR A 1 20  ? 8.871   0.407   5.765  1.000 13.767 0 18  THR AAA CA  1 ? 
ATOM   152  C C   . THR A 1 20  ? 7.904   1.405   5.115  1.000 14.285 0 18  THR AAA C   1 ? 
ATOM   153  O O   . THR A 1 20  ? 7.232   2.198   5.823  1.000 12.701 0 18  THR AAA O   1 ? 
ATOM   154  C CB  . THR A 1 20  ? 8.188   -0.735  6.523  1.000 12.948 0 18  THR AAA CB  1 ? 
ATOM   155  O OG1 . THR A 1 20  ? 9.222   -1.625  6.980  1.000 12.441 0 18  THR AAA OG1 1 ? 
ATOM   156  C CG2 . THR A 1 20  ? 7.142   -1.426  5.676  1.000 13.013 0 18  THR AAA CG2 1 ? 
ATOM   157  N N   . ASN A 1 21  ? 7.777   1.370   3.794  1.000 15.297 0 19  ASN AAA N   1 ? 
ATOM   158  C CA  . ASN A 1 21  ? 6.734   2.212   3.156  1.000 17.263 0 19  ASN AAA CA  1 ? 
ATOM   159  C C   . ASN A 1 21  ? 5.446   1.389   3.111  1.000 17.564 0 19  ASN AAA C   1 ? 
ATOM   160  O O   . ASN A 1 21  ? 5.240   0.569   2.161  1.000 19.777 0 19  ASN AAA O   1 ? 
ATOM   161  C CB  . ASN A 1 21  ? 7.111   2.794   1.781  1.000 20.606 0 19  ASN AAA CB  1 ? 
ATOM   162  C CG  . ASN A 1 21  ? 6.226   4.005   1.529  1.000 24.197 0 19  ASN AAA CG  1 ? 
ATOM   163  O OD1 . ASN A 1 21  ? 5.028   3.818   1.397  1.000 24.025 0 19  ASN AAA OD1 1 ? 
ATOM   164  N ND2 . ASN A 1 21  ? 6.755   5.241   1.582  1.000 24.592 0 19  ASN AAA ND2 1 ? 
ATOM   165  N N   . ALA A 1 22  ? 4.612   1.560   4.129  1.000 14.475 0 20  ALA AAA N   1 ? 
ATOM   166  C CA  . ALA A 1 22  ? 3.354   0.819   4.235  1.000 14.159 0 20  ALA AAA CA  1 ? 
ATOM   167  C C   . ALA A 1 22  ? 2.344   1.672   4.989  1.000 12.589 0 20  ALA AAA C   1 ? 
ATOM   168  O O   . ALA A 1 22  ? 2.713   2.316   5.991  1.000 11.305 0 20  ALA AAA O   1 ? 
ATOM   169  C CB  . ALA A 1 22  ? 3.584   -0.500  4.916  1.000 13.862 0 20  ALA AAA CB  1 ? 
ATOM   170  N N   . GLY A 1 23  ? 1.128   1.649   4.493  1.000 12.539 0 21  GLY AAA N   1 ? 
ATOM   171  C CA  . GLY A 1 23  ? -0.034  2.210   5.181  1.000 12.199 0 21  GLY AAA CA  1 ? 
ATOM   172  C C   . GLY A 1 23  ? -0.981  1.145   5.697  1.000 12.550 0 21  GLY AAA C   1 ? 
ATOM   173  O O   . GLY A 1 23  ? -0.736  -0.056  5.575  1.000 13.754 0 21  GLY AAA O   1 ? 
ATOM   174  N N   . PRO A 1 24  ? -2.085  1.602   6.321  1.000 13.348 0 22  PRO AAA N   1 ? 
ATOM   175  C CA  . PRO A 1 24  ? -3.023  0.740   7.045  1.000 13.942 0 22  PRO AAA CA  1 ? 
ATOM   176  C C   . PRO A 1 24  ? -3.592  -0.463  6.284  1.000 14.341 0 22  PRO AAA C   1 ? 
ATOM   177  O O   . PRO A 1 24  ? -3.936  -1.451  6.927  1.000 14.646 0 22  PRO AAA O   1 ? 
ATOM   178  C CB  . PRO A 1 24  ? -4.195  1.669   7.392  1.000 15.107 0 22  PRO AAA CB  1 ? 
ATOM   179  C CG  . PRO A 1 24  ? -3.676  3.061   7.292  1.000 14.711 0 22  PRO AAA CG  1 ? 
ATOM   180  C CD  . PRO A 1 24  ? -2.425  3.020   6.447  1.000 13.766 0 22  PRO AAA CD  1 ? 
ATOM   181  N N   . ARG A 1 25  ? -3.658  -0.389  4.959  1.000 16.055 0 23  ARG AAA N   1 ? 
ATOM   182  C CA  . ARG A 1 25  ? -4.222  -1.474  4.111  1.000 16.861 0 23  ARG AAA CA  1 ? 
ATOM   183  C C   . ARG A 1 25  ? -3.177  -2.546  3.808  1.000 16.745 0 23  ARG AAA C   1 ? 
ATOM   184  O O   . ARG A 1 25  ? -3.538  -3.511  3.158  1.000 17.094 0 23  ARG AAA O   1 ? 
ATOM   185  C CB  . ARG A 1 25  ? -4.745  -0.902  2.793  1.000 18.780 0 23  ARG AAA CB  1 ? 
ATOM   186  C CG  . ARG A 1 25  ? -5.971  -0.021  2.980  1.000 21.636 0 23  ARG AAA CG  1 ? 
ATOM   187  C CD  . ARG A 1 25  ? -6.350  0.598   1.659  1.000 23.764 0 23  ARG AAA CD  1 ? 
ATOM   188  N NE  . ARG A 1 25  ? -7.554  1.437   1.708  1.000 26.939 0 23  ARG AAA NE  1 ? 
ATOM   189  C CZ  . ARG A 1 25  ? -8.148  1.925   0.617  1.000 29.759 0 23  ARG AAA CZ  1 ? 
ATOM   190  N NH1 . ARG A 1 25  ? -7.635  1.687   -0.580 1.000 26.568 0 23  ARG AAA NH1 1 ? 
ATOM   191  N NH2 . ARG A 1 25  ? -9.251  2.650   0.726  1.000 33.106 0 23  ARG AAA NH2 1 ? 
ATOM   192  N N   . ASP A 1 26  ? -1.926  -2.400  4.236  1.000 16.606 0 24  ASP AAA N   1 ? 
ATOM   193  C CA  . ASP A 1 26  ? -0.798  -3.111  3.586  1.000 17.424 0 24  ASP AAA CA  1 ? 
ATOM   194  C C   . ASP A 1 26  ? -0.427  -4.376  4.351  1.000 16.877 0 24  ASP AAA C   1 ? 
ATOM   195  O O   . ASP A 1 26  ? 0.651   -4.891  4.102  1.000 17.079 0 24  ASP AAA O   1 ? 
ATOM   196  C CB  . ASP A 1 26  ? 0.369   -2.149  3.340  1.000 17.924 0 24  ASP AAA CB  1 ? 
ATOM   197  C CG  . ASP A 1 26  ? -0.015  -1.045  2.374  1.000 18.600 0 24  ASP AAA CG  1 ? 
ATOM   198  O OD1 . ASP A 1 26  ? -1.109  -1.160  1.763  1.000 22.880 0 24  ASP AAA OD1 1 ? 
ATOM   199  O OD2 . ASP A 1 26  ? 0.740   -0.073  2.270  1.000 16.795 0 24  ASP AAA OD2 1 ? 
ATOM   200  N N   . ARG A 1 27  ? -1.309  -4.889  5.212  1.000 18.043 0 25  ARG AAA N   1 ? 
ATOM   201  C CA  . ARG A 1 27  ? -1.231  -6.287  5.711  1.000 19.193 0 25  ARG AAA CA  1 ? 
ATOM   202  C C   . ARG A 1 27  ? 0.087   -6.461  6.477  1.000 17.693 0 25  ARG AAA C   1 ? 
ATOM   203  O O   . ARG A 1 27  ? 0.365   -5.637  7.384  1.000 16.738 0 25  ARG AAA O   1 ? 
ATOM   204  C CB  . ARG A 1 27  ? -1.411  -7.301  4.568  1.000 22.555 0 25  ARG AAA CB  1 ? 
ATOM   205  C CG  . ARG A 1 27  ? -2.590  -7.082  3.634  1.000 29.494 0 25  ARG AAA CG  1 ? 
ATOM   206  C CD  . ARG A 1 27  ? -3.895  -6.645  4.274  1.000 38.081 0 25  ARG AAA CD  1 ? 
ATOM   207  N NE  . ARG A 1 27  ? -4.746  -7.683  4.851  1.000 44.394 0 25  ARG AAA NE  1 ? 
ATOM   208  C CZ  . ARG A 1 27  ? -5.631  -7.476  5.842  1.000 51.077 0 25  ARG AAA CZ  1 ? 
ATOM   209  N NH1 . ARG A 1 27  ? -5.790  -6.267  6.373  1.000 52.259 0 25  ARG AAA NH1 1 ? 
ATOM   210  N NH2 . ARG A 1 27  ? -6.348  -8.486  6.310  1.000 47.520 0 25  ARG AAA NH2 1 ? 
ATOM   211  N N   . GLU A 1 28  ? 0.864   -7.496  6.172  1.000 17.079 0 26  GLU AAA N   1 ? 
ATOM   212  C CA  . GLU A 1 28  ? 2.082   -7.846  6.956  1.000 17.426 0 26  GLU AAA CA  1 ? 
ATOM   213  C C   . GLU A 1 28  ? 3.086   -6.691  6.905  1.000 14.587 0 26  GLU AAA C   1 ? 
ATOM   214  O O   . GLU A 1 28  ? 3.896   -6.573  7.839  1.000 14.666 0 26  GLU AAA O   1 ? 
ATOM   215  C CB  . GLU A 1 28  ? 2.704   -9.145  6.463  1.000 19.671 0 26  GLU AAA CB  1 ? 
ATOM   216  C CG  . GLU A 1 28  ? 3.301   -9.074  5.064  1.000 21.164 0 26  GLU AAA CG  1 ? 
ATOM   217  C CD  . GLU A 1 28  ? 2.334   -9.100  3.878  1.000 23.690 0 26  GLU AAA CD  1 ? 
ATOM   218  O OE1 . GLU A 1 28  ? 1.102   -9.324  4.067  1.000 22.177 0 26  GLU AAA OE1 1 ? 
ATOM   219  O OE2 . GLU A 1 28  ? 2.819   -8.843  2.760  1.000 23.780 0 26  GLU AAA OE2 1 ? 
ATOM   220  N N   . LEU A 1 29  ? 3.078   -5.900  5.834  1.000 14.272 0 27  LEU AAA N   1 ? 
ATOM   221  C CA  . LEU A 1 29  ? 3.981   -4.721  5.709  1.000 13.490 0 27  LEU AAA CA  1 ? 
ATOM   222  C C   . LEU A 1 29  ? 3.514   -3.624  6.669  1.000 12.643 0 27  LEU AAA C   1 ? 
ATOM   223  O O   . LEU A 1 29  ? 4.367   -2.890  7.191  1.000 10.852 0 27  LEU AAA O   1 ? 
ATOM   224  C CB  . LEU A 1 29  ? 4.026   -4.207  4.267  1.000 14.667 0 27  LEU AAA CB  1 ? 
ATOM   225  C CG  . LEU A 1 29  ? 4.673   -5.155  3.250  1.000 16.591 0 27  LEU AAA CG  1 ? 
ATOM   226  C CD1 . LEU A 1 29  ? 4.686   -4.530  1.862  1.000 17.692 0 27  LEU AAA CD1 1 ? 
ATOM   227  C CD2 . LEU A 1 29  ? 6.095   -5.497  3.669  1.000 17.036 0 27  LEU AAA CD2 1 ? 
ATOM   228  N N   . TRP A 1 30  ? 2.212   -3.502  6.911  1.000 12.197 0 28  TRP AAA N   1 ? 
ATOM   229  C CA  . TRP A 1 30  ? 1.699   -2.522  7.897  1.000 12.493 0 28  TRP AAA CA  1 ? 
ATOM   230  C C   . TRP A 1 30  ? 2.059   -2.976  9.312  1.000 12.673 0 28  TRP AAA C   1 ? 
ATOM   231  O O   . TRP A 1 30  ? 2.507   -2.151  10.110 1.000 13.507 0 28  TRP AAA O   1 ? 
ATOM   232  C CB  . TRP A 1 30  ? 0.199   -2.321  7.720  1.000 12.506 0 28  TRP AAA CB  1 ? 
ATOM   233  C CG  . TRP A 1 30  ? -0.396  -1.394  8.734  1.000 12.511 0 28  TRP AAA CG  1 ? 
ATOM   234  C CD1 . TRP A 1 30  ? -1.412  -1.665  9.596  1.000 12.786 0 28  TRP AAA CD1 1 ? 
ATOM   235  C CD2 . TRP A 1 30  ? 0.028   -0.047  9.004  1.000 13.064 0 28  TRP AAA CD2 1 ? 
ATOM   236  N NE1 . TRP A 1 30  ? -1.709  -0.545  10.336 1.000 12.946 0 28  TRP AAA NE1 1 ? 
ATOM   237  C CE2 . TRP A 1 30  ? -0.825  0.453   10.011 1.000 13.552 0 28  TRP AAA CE2 1 ? 
ATOM   238  C CE3 . TRP A 1 30  ? 1.029   0.786   8.486  1.000 14.095 0 28  TRP AAA CE3 1 ? 
ATOM   239  C CZ2 . TRP A 1 30  ? -0.706  1.753   10.487 1.000 13.999 0 28  TRP AAA CZ2 1 ? 
ATOM   240  C CZ3 . TRP A 1 30  ? 1.110   2.088   8.927  1.000 14.223 0 28  TRP AAA CZ3 1 ? 
ATOM   241  C CH2 . TRP A 1 30  ? 0.277   2.550   9.939  1.000 14.026 0 28  TRP AAA CH2 1 ? 
ATOM   242  N N   . VAL A 1 31  ? 1.916   -4.264  9.612  1.000 13.555 0 29  VAL AAA N   1 ? 
ATOM   243  C CA  . VAL A 1 31  ? 2.353   -4.793  10.937 1.000 13.150 0 29  VAL AAA CA  1 ? 
ATOM   244  C C   . VAL A 1 31  ? 3.832   -4.431  11.168 1.000 12.752 0 29  VAL AAA C   1 ? 
ATOM   245  O O   . VAL A 1 31  ? 4.193   -4.016  12.303 1.000 10.407 0 29  VAL AAA O   1 ? 
ATOM   246  C CB  . VAL A 1 31  ? 2.054   -6.292  11.088 1.000 15.073 0 29  VAL AAA CB  1 ? 
ATOM   247  C CG1 . VAL A 1 31  ? 2.612   -6.837  12.380 1.000 15.441 0 29  VAL AAA CG1 1 ? 
ATOM   248  C CG2 . VAL A 1 31  ? 0.564   -6.546  10.987 1.000 16.067 0 29  VAL AAA CG2 1 ? 
ATOM   249  N N   . GLN A 1 32  ? 4.671   -4.548  10.138 1.000 11.060 0 30  GLN AAA N   1 ? 
ATOM   250  C CA  . GLN A 1 32  ? 6.108   -4.252  10.246 1.000 11.087 0 30  GLN AAA CA  1 ? 
ATOM   251  C C   . GLN A 1 32  ? 6.296   -2.749  10.498 1.000 11.219 0 30  GLN AAA C   1 ? 
ATOM   252  O O   . GLN A 1 32  ? 7.145   -2.370  11.311 1.000 11.041 0 30  GLN AAA O   1 ? 
ATOM   253  C CB  . GLN A 1 32  ? 6.798   -4.708  8.965  1.000 12.072 0 30  GLN AAA CB  1 ? 
ATOM   254  C CG  . GLN A 1 32  ? 8.286   -4.409  8.944  1.000 11.883 0 30  GLN AAA CG  1 ? 
ATOM   255  C CD  . GLN A 1 32  ? 9.072   -4.837  10.164 1.000 12.315 0 30  GLN AAA CD  1 ? 
ATOM   256  O OE1 . GLN A 1 32  ? 8.904   -5.925  10.709 1.000 10.831 0 30  GLN AAA OE1 1 ? 
ATOM   257  N NE2 . GLN A 1 32  ? 9.942   -3.950  10.601 1.000 12.394 0 30  GLN AAA NE2 1 ? 
ATOM   258  N N   . ARG A 1 33  ? 5.603   -1.911  9.749  1.000 10.335 0 31  ARG AAA N   1 ? 
ATOM   259  C CA  . ARG A 1 33  ? 5.707   -0.435  9.942  1.000 11.099 0 31  ARG AAA CA  1 ? 
ATOM   260  C C   . ARG A 1 33  ? 5.262   -0.090  11.367 1.000 11.821 0 31  ARG AAA C   1 ? 
ATOM   261  O O   . ARG A 1 33  ? 5.929   0.728   12.013 1.000 11.060 0 31  ARG AAA O   1 ? 
ATOM   262  C CB  . ARG A 1 33  ? 4.858   0.306   8.903  1.000 11.257 0 31  ARG AAA CB  1 ? 
ATOM   263  C CG  . ARG A 1 33  ? 4.795   1.817   9.107  1.000 11.317 0 31  ARG AAA CG  1 ? 
ATOM   264  C CD  . ARG A 1 33  ? 6.165   2.415   8.823  1.000 11.538 0 31  ARG AAA CD  1 ? 
ATOM   265  N NE  . ARG A 1 33  ? 6.163   3.836   9.120  1.000 11.525 0 31  ARG AAA NE  1 ? 
ATOM   266  C CZ  . ARG A 1 33  ? 6.965   4.748   8.576  1.000 11.701 0 31  ARG AAA CZ  1 ? 
ATOM   267  N NH1 . ARG A 1 33  ? 7.800   4.448   7.590  1.000 11.360 0 31  ARG AAA NH1 1 ? 
ATOM   268  N NH2 . ARG A 1 33  ? 6.870   5.992   9.006  1.000 11.703 0 31  ARG AAA NH2 1 ? 
ATOM   269  N N   . LEU A 1 34  ? 4.216   -0.736  11.883 1.000 11.996 0 32  LEU AAA N   1 ? 
ATOM   270  C CA  . LEU A 1 34  ? 3.790   -0.468  13.281 1.000 14.644 0 32  LEU AAA CA  1 ? 
ATOM   271  C C   . LEU A 1 34  ? 4.887   -0.859  14.271 1.000 14.568 0 32  LEU AAA C   1 ? 
ATOM   272  O O   . LEU A 1 34  ? 4.995   -0.157  15.291 1.000 15.324 0 32  LEU AAA O   1 ? 
ATOM   273  C CB  . LEU A 1 34  ? 2.475   -1.165  13.600 1.000 15.913 0 32  LEU AAA CB  1 ? 
ATOM   274  C CG  . LEU A 1 34  ? 1.246   -0.560  12.944 1.000 17.981 0 32  LEU AAA CG  1 ? 
ATOM   275  C CD1 . LEU A 1 34  ? 0.066   -1.511  13.104 1.000 17.732 0 32  LEU AAA CD1 1 ? 
ATOM   276  C CD2 . LEU A 1 34  ? 0.935   0.798   13.556 1.000 18.209 0 32  LEU AAA CD2 1 ? 
ATOM   277  N N   . LYS A 1 35  ? 5.621   -1.948  14.056 1.000 14.822 0 33  LYS AAA N   1 ? 
ATOM   278  C CA  . LYS A 1 35  ? 6.759   -2.294  14.939 1.000 14.921 0 33  LYS AAA CA  1 ? 
ATOM   279  C C   . LYS A 1 35  ? 7.726   -1.108  14.948 1.000 13.890 0 33  LYS AAA C   1 ? 
ATOM   280  O O   . LYS A 1 35  ? 8.158   -0.681  16.027 1.000 14.615 0 33  LYS AAA O   1 ? 
ATOM   281  C CB  . LYS A 1 35  ? 7.476   -3.578  14.521 1.000 16.878 0 33  LYS AAA CB  1 ? 
ATOM   282  C CG  . LYS A 1 35  ? 6.622   -4.815  14.688 1.000 17.705 0 33  LYS AAA CG  1 ? 
ATOM   283  C CD  . LYS A 1 35  ? 7.318   -6.045  14.219 1.000 18.466 0 33  LYS AAA CD  1 ? 
ATOM   284  C CE  . LYS A 1 35  ? 6.438   -7.270  14.314 1.000 20.471 0 33  LYS AAA CE  1 ? 
ATOM   285  N NZ  . LYS A 1 35  ? 7.181   -8.405  13.726 1.000 20.953 0 33  LYS AAA NZ  1 ? 
ATOM   286  N N   . GLU A 1 36  ? 8.047   -0.574  13.787 1.000 12.100 0 34  GLU AAA N   1 ? 
ATOM   287  C CA  . GLU A 1 36  ? 9.003   0.555   13.690 1.000 11.276 0 34  GLU AAA CA  1 ? 
ATOM   288  C C   . GLU A 1 36  ? 8.407   1.776   14.400 1.000 10.203 0 34  GLU AAA C   1 ? 
ATOM   289  O O   . GLU A 1 36  ? 9.173   2.548   15.012 1.000 10.045 0 34  GLU AAA O   1 ? 
ATOM   290  C CB  . GLU A 1 36  ? 9.320   0.855   12.222 1.000 11.767 0 34  GLU AAA CB  1 ? 
ATOM   291  C CG  . GLU A 1 36  ? 9.940   -0.317  11.493 1.000 12.016 0 34  GLU AAA CG  1 ? 
ATOM   292  C CD  . GLU A 1 36  ? 9.942   -0.233  9.987  1.000 11.800 0 34  GLU AAA CD  1 ? 
ATOM   293  O OE1 . GLU A 1 36  ? 9.609   0.871   9.448  1.000 11.482 0 34  GLU AAA OE1 1 ? 
ATOM   294  O OE2 . GLU A 1 36  ? 10.222  -1.296  9.360  1.000 11.502 0 34  GLU AAA OE2 1 ? 
ATOM   295  N N   . GLU A 1 37  ? 7.101   1.991   14.280 1.000 9.937  0 35  GLU AAA N   1 ? 
ATOM   296  C CA  . GLU A 1 37  ? 6.413   3.175   14.874 1.000 10.414 0 35  GLU AAA CA  1 ? 
ATOM   297  C C   . GLU A 1 37  ? 6.498   3.091   16.393 1.000 10.192 0 35  GLU AAA C   1 ? 
ATOM   298  O O   . GLU A 1 37  ? 6.876   4.081   17.022 1.000 9.268  0 35  GLU AAA O   1 ? 
ATOM   299  C CB  . GLU A 1 37  ? 4.958   3.283   14.451 1.000 10.616 0 35  GLU AAA CB  1 ? 
ATOM   300  C CG  . GLU A 1 37  ? 4.802   3.592   12.978 1.000 10.677 0 35  GLU AAA CG  1 ? 
ATOM   301  C CD  . GLU A 1 37  ? 5.163   5.001   12.540 1.000 12.033 0 35  GLU AAA CD  1 ? 
ATOM   302  O OE1 . GLU A 1 37  ? 5.471   5.868   13.425 1.000 11.017 0 35  GLU AAA OE1 1 ? 
ATOM   303  O OE2 . GLU A 1 37  ? 5.189   5.195   11.301 1.000 11.343 0 35  GLU AAA OE2 1 ? 
ATOM   304  N N   . TYR A 1 38  ? 6.205   1.912   16.938 1.000 10.845 0 36  TYR AAA N   1 ? 
ATOM   305  C CA  . TYR A 1 38  ? 6.237   1.705   18.406 1.000 11.126 0 36  TYR AAA CA  1 ? 
ATOM   306  C C   . TYR A 1 38  ? 7.681   1.774   18.907 1.000 11.356 0 36  TYR AAA C   1 ? 
ATOM   307  O O   . TYR A 1 38  ? 7.903   2.342   20.001 1.000 11.650 0 36  TYR AAA O   1 ? 
ATOM   308  C CB  . TYR A 1 38  ? 5.547   0.397   18.782 1.000 10.738 0 36  TYR AAA CB  1 ? 
ATOM   309  C CG  . TYR A 1 38  ? 4.060   0.536   18.993 1.000 10.338 0 36  TYR AAA CG  1 ? 
ATOM   310  C CD1 . TYR A 1 38  ? 3.162   0.215   17.997 1.000 10.520 0 36  TYR AAA CD1 1 ? 
ATOM   311  C CD2 . TYR A 1 38  ? 3.551   1.022   20.177 1.000 11.616 0 36  TYR AAA CD2 1 ? 
ATOM   312  C CE1 . TYR A 1 38  ? 1.794   0.322   18.189 1.000 10.057 0 36  TYR AAA CE1 1 ? 
ATOM   313  C CE2 . TYR A 1 38  ? 2.190   1.161   20.387 1.000 10.914 0 36  TYR AAA CE2 1 ? 
ATOM   314  C CZ  . TYR A 1 38  ? 1.305   0.790   19.393 1.000 11.583 0 36  TYR AAA CZ  1 ? 
ATOM   315  O OH  . TYR A 1 38  ? -0.043  0.899   19.599 1.000 14.252 0 36  TYR AAA OH  1 ? 
ATOM   316  N N   . GLN A 1 39  ? 8.625   1.227   18.153 1.000 11.427 0 37  GLN AAA N   1 ? 
ATOM   317  C CA  . GLN A 1 39  ? 10.078  1.249   18.474 1.000 13.219 0 37  GLN AAA CA  1 ? 
ATOM   318  C C   . GLN A 1 39  ? 10.531  2.710   18.575 1.000 12.244 0 37  GLN AAA C   1 ? 
ATOM   319  O O   . GLN A 1 39  ? 11.261  3.063   19.533 1.000 11.858 0 37  GLN AAA O   1 ? 
ATOM   320  C CB  . GLN A 1 39  ? 10.846  0.394   17.450 1.000 16.638 0 37  GLN AAA CB  1 ? 
ATOM   321  C CG  . GLN A 1 39  ? 12.280  0.813   17.125 1.000 21.625 0 37  GLN AAA CG  1 ? 
ATOM   322  C CD  . GLN A 1 39  ? 13.009  -0.155  16.199 1.000 23.831 0 37  GLN AAA CD  1 ? 
ATOM   323  O OE1 . GLN A 1 39  ? 13.390  -1.270  16.574 1.000 25.740 0 37  GLN AAA OE1 1 ? 
ATOM   324  N NE2 . GLN A 1 39  ? 13.218  0.251   14.964 1.000 25.372 0 37  GLN AAA NE2 1 ? 
ATOM   325  N N   A SER A 1 40  ? 10.155  3.522   17.589 0.500 11.955 0 38  SER AAA N   1 ? 
ATOM   326  N N   B SER A 1 40  ? 10.162  3.529   17.587 0.500 12.024 0 38  SER AAA N   1 ? 
ATOM   327  C CA  A SER A 1 40  ? 10.557  4.946   17.493 0.500 11.326 0 38  SER AAA CA  1 ? 
ATOM   328  C CA  B SER A 1 40  ? 10.564  4.957   17.500 0.500 11.438 0 38  SER AAA CA  1 ? 
ATOM   329  C C   A SER A 1 40  ? 9.879   5.738   18.617 0.500 11.566 0 38  SER AAA C   1 ? 
ATOM   330  C C   B SER A 1 40  ? 9.879   5.742   18.622 0.500 11.618 0 38  SER AAA C   1 ? 
ATOM   331  O O   A SER A 1 40  ? 10.576  6.524   19.294 0.500 11.254 0 38  SER AAA O   1 ? 
ATOM   332  O O   B SER A 1 40  ? 10.573  6.522   19.309 0.500 11.274 0 38  SER AAA O   1 ? 
ATOM   333  C CB  A SER A 1 40  ? 10.244  5.491   16.137 0.500 11.307 0 38  SER AAA CB  1 ? 
ATOM   334  C CB  B SER A 1 40  ? 10.280  5.524   16.137 0.500 11.515 0 38  SER AAA CB  1 ? 
ATOM   335  O OG  A SER A 1 40  ? 10.695  6.820   16.026 0.500 10.929 0 38  SER AAA OG  1 ? 
ATOM   336  O OG  B SER A 1 40  ? 11.169  4.945   15.180 0.500 11.387 0 38  SER AAA OG  1 ? 
ATOM   337  N N   . LEU A 1 41  ? 8.573   5.536   18.810 1.000 11.305 0 39  LEU AAA N   1 ? 
ATOM   338  C CA  . LEU A 1 41  ? 7.797   6.226   19.878 1.000 12.367 0 39  LEU AAA CA  1 ? 
ATOM   339  C C   . LEU A 1 41  ? 8.394   5.935   21.248 1.000 12.177 0 39  LEU AAA C   1 ? 
ATOM   340  O O   . LEU A 1 41  ? 8.632   6.904   21.986 1.000 12.493 0 39  LEU AAA O   1 ? 
ATOM   341  C CB  . LEU A 1 41  ? 6.321   5.833   19.814 1.000 13.578 0 39  LEU AAA CB  1 ? 
ATOM   342  C CG  . LEU A 1 41  ? 5.475   6.651   18.843 1.000 14.307 0 39  LEU AAA CG  1 ? 
ATOM   343  C CD1 . LEU A 1 41  ? 4.076   6.042   18.720 1.000 15.300 0 39  LEU AAA CD1 1 ? 
ATOM   344  C CD2 . LEU A 1 41  ? 5.370   8.138   19.243 1.000 13.583 0 39  LEU AAA CD2 1 ? 
ATOM   345  N N   . ILE A 1 42  ? 8.663   4.675   21.576 1.000 12.699 0 40  ILE AAA N   1 ? 
ATOM   346  C CA  . ILE A 1 42  ? 9.109   4.333   22.960 1.000 13.112 0 40  ILE AAA CA  1 ? 
ATOM   347  C C   . ILE A 1 42  ? 10.527  4.883   23.185 1.000 14.110 0 40  ILE AAA C   1 ? 
ATOM   348  O O   . ILE A 1 42  ? 10.806  5.358   24.301 1.000 13.028 0 40  ILE AAA O   1 ? 
ATOM   349  C CB  . ILE A 1 42  ? 8.966   2.821   23.246 1.000 13.923 0 40  ILE AAA CB  1 ? 
ATOM   350  C CG1 . ILE A 1 42  ? 8.807   2.546   24.739 1.000 15.636 0 40  ILE AAA CG1 1 ? 
ATOM   351  C CG2 . ILE A 1 42  ? 10.110  2.024   22.664 1.000 14.068 0 40  ILE AAA CG2 1 ? 
ATOM   352  C CD1 . ILE A 1 42  ? 7.789   3.429   25.441 1.000 15.572 0 40  ILE AAA CD1 1 ? 
ATOM   353  N N   . ARG A 1 43  ? 11.393  4.879   22.162 1.000 13.266 0 41  ARG AAA N   1 ? 
ATOM   354  C CA  . ARG A 1 43  ? 12.758  5.418   22.372 1.000 13.472 0 41  ARG AAA CA  1 ? 
ATOM   355  C C   . ARG A 1 43  ? 12.635  6.927   22.606 1.000 12.201 0 41  ARG AAA C   1 ? 
ATOM   356  O O   . ARG A 1 43  ? 13.267  7.463   23.541 1.000 12.359 0 41  ARG AAA O   1 ? 
ATOM   357  C CB  . ARG A 1 43  ? 13.676  5.087   21.197 1.000 15.049 0 41  ARG AAA CB  1 ? 
ATOM   358  C CG  . ARG A 1 43  ? 15.023  5.793   21.301 1.000 16.763 0 41  ARG AAA CG  1 ? 
ATOM   359  C CD  . ARG A 1 43  ? 15.786  5.367   22.531 1.000 18.903 0 41  ARG AAA CD  1 ? 
ATOM   360  N NE  . ARG A 1 43  ? 16.172  3.967   22.431 1.000 22.177 0 41  ARG AAA NE  1 ? 
ATOM   361  C CZ  . ARG A 1 43  ? 17.252  3.501   21.800 1.000 24.365 0 41  ARG AAA CZ  1 ? 
ATOM   362  N NH1 . ARG A 1 43  ? 17.485  2.189   21.792 1.000 24.114 0 41  ARG AAA NH1 1 ? 
ATOM   363  N NH2 . ARG A 1 43  ? 18.095  4.338   21.192 1.000 25.177 0 41  ARG AAA NH2 1 ? 
ATOM   364  N N   . TYR A 1 44  ? 11.788  7.593   21.832 1.000 11.086 0 42  TYR AAA N   1 ? 
ATOM   365  C CA  . TYR A 1 44  ? 11.551  9.055   21.969 1.000 11.431 0 42  TYR AAA CA  1 ? 
ATOM   366  C C   . TYR A 1 44  ? 11.045  9.369   23.381 1.000 12.130 0 42  TYR AAA C   1 ? 
ATOM   367  O O   . TYR A 1 44  ? 11.557  10.280  24.074 1.000 10.495 0 42  TYR AAA O   1 ? 
ATOM   368  C CB  . TYR A 1 44  ? 10.634  9.548   20.849 1.000 11.759 0 42  TYR AAA CB  1 ? 
ATOM   369  C CG  . TYR A 1 44  ? 10.288  11.019  20.931 1.000 11.579 0 42  TYR AAA CG  1 ? 
ATOM   370  C CD1 . TYR A 1 44  ? 11.256  11.966  21.175 1.000 12.824 0 42  TYR AAA CD1 1 ? 
ATOM   371  C CD2 . TYR A 1 44  ? 8.994   11.480  20.761 1.000 12.031 0 42  TYR AAA CD2 1 ? 
ATOM   372  C CE1 . TYR A 1 44  ? 10.962  13.318  21.255 1.000 13.780 0 42  TYR AAA CE1 1 ? 
ATOM   373  C CE2 . TYR A 1 44  ? 8.680   12.833  20.827 1.000 12.773 0 42  TYR AAA CE2 1 ? 
ATOM   374  C CZ  . TYR A 1 44  ? 9.672   13.765  21.087 1.000 13.610 0 42  TYR AAA CZ  1 ? 
ATOM   375  O OH  . TYR A 1 44  ? 9.451   15.115  21.199 1.000 14.786 0 42  TYR AAA OH  1 ? 
ATOM   376  N N   . VAL A 1 45  ? 10.096  8.578   23.883 1.000 12.807 0 43  VAL AAA N   1 ? 
ATOM   377  C CA  . VAL A 1 45  ? 9.524   8.755   25.256 1.000 12.601 0 43  VAL AAA CA  1 ? 
ATOM   378  C C   . VAL A 1 45  ? 10.646  8.569   26.297 1.000 13.757 0 43  VAL AAA C   1 ? 
ATOM   379  O O   . VAL A 1 45  ? 10.789  9.397   27.235 1.000 12.725 0 43  VAL AAA O   1 ? 
ATOM   380  C CB  . VAL A 1 45  ? 8.333   7.801   25.501 1.000 12.715 0 43  VAL AAA CB  1 ? 
ATOM   381  C CG1 . VAL A 1 45  ? 8.024   7.650   26.986 1.000 13.641 0 43  VAL AAA CG1 1 ? 
ATOM   382  C CG2 . VAL A 1 45  ? 7.074   8.271   24.807 1.000 12.409 0 43  VAL AAA CG2 1 ? 
ATOM   383  N N   . GLU A 1 46  ? 11.462  7.525   26.130 1.000 14.261 0 44  GLU AAA N   1 ? 
ATOM   384  C CA  . GLU A 1 46  ? 12.575  7.224   27.067 1.000 16.204 0 44  GLU AAA CA  1 ? 
ATOM   385  C C   . GLU A 1 46  ? 13.560  8.390   27.067 1.000 14.885 0 44  GLU AAA C   1 ? 
ATOM   386  O O   . GLU A 1 46  ? 13.957  8.799   28.179 1.000 14.782 0 44  GLU AAA O   1 ? 
ATOM   387  C CB  . GLU A 1 46  ? 13.245  5.908   26.712 1.000 18.780 0 44  GLU AAA CB  1 ? 
ATOM   388  C CG  . GLU A 1 46  ? 12.345  4.730   27.034 1.000 22.578 0 44  GLU AAA CG  1 ? 
ATOM   389  C CD  . GLU A 1 46  ? 12.774  3.399   26.439 1.000 27.318 0 44  GLU AAA CD  1 ? 
ATOM   390  O OE1 . GLU A 1 46  ? 13.738  3.376   25.608 1.000 30.072 0 44  GLU AAA OE1 1 ? 
ATOM   391  O OE2 . GLU A 1 46  ? 12.095  2.401   26.760 1.000 30.695 0 44  GLU AAA OE2 1 ? 
ATOM   392  N N   . ASN A 1 47  ? 13.913  8.933   25.903 1.000 14.869 0 45  ASN AAA N   1 ? 
ATOM   393  C CA  . ASN A 1 47  ? 14.844  10.088  25.813 1.000 13.676 0 45  ASN AAA CA  1 ? 
ATOM   394  C C   . ASN A 1 47  ? 14.187  11.297  26.486 1.000 13.857 0 45  ASN AAA C   1 ? 
ATOM   395  O O   . ASN A 1 47  ? 14.903  12.060  27.175 1.000 12.921 0 45  ASN AAA O   1 ? 
ATOM   396  C CB  . ASN A 1 47  ? 15.230  10.393  24.376 1.000 14.975 0 45  ASN AAA CB  1 ? 
ATOM   397  C CG  . ASN A 1 47  ? 16.021  9.262   23.751 1.000 16.515 0 45  ASN AAA CG  1 ? 
ATOM   398  O OD1 . ASN A 1 47  ? 16.586  8.420   24.450 1.000 18.420 0 45  ASN AAA OD1 1 ? 
ATOM   399  N ND2 . ASN A 1 47  ? 16.048  9.231   22.439 1.000 18.740 0 45  ASN AAA ND2 1 ? 
ATOM   400  N N   . ASN A 1 48  ? 12.880  11.479  26.301 1.000 12.459 0 46  ASN AAA N   1 ? 
ATOM   401  C CA  . ASN A 1 48  ? 12.132  12.624  26.887 1.000 13.071 0 46  ASN AAA CA  1 ? 
ATOM   402  C C   . ASN A 1 48  ? 12.185  12.546  28.411 1.000 14.035 0 46  ASN AAA C   1 ? 
ATOM   403  O O   . ASN A 1 48  ? 12.392  13.600  29.052 1.000 13.073 0 46  ASN AAA O   1 ? 
ATOM   404  C CB  . ASN A 1 48  ? 10.676  12.653  26.436 1.000 13.425 0 46  ASN AAA CB  1 ? 
ATOM   405  C CG  . ASN A 1 48  ? 10.529  13.091  24.994 1.000 14.081 0 46  ASN AAA CG  1 ? 
ATOM   406  O OD1 . ASN A 1 48  ? 11.449  13.669  24.422 1.000 15.066 0 46  ASN AAA OD1 1 ? 
ATOM   407  N ND2 . ASN A 1 48  ? 9.350   12.885  24.433 1.000 14.558 0 46  ASN AAA ND2 1 ? 
ATOM   408  N N   . LYS A 1 49  ? 11.977  11.345  28.958 1.000 14.069 0 47  LYS AAA N   1 ? 
ATOM   409  C CA  . LYS A 1 49  ? 12.050  11.087  30.426 1.000 15.672 0 47  LYS AAA CA  1 ? 
ATOM   410  C C   . LYS A 1 49  ? 13.430  11.462  30.950 1.000 16.156 0 47  LYS AAA C   1 ? 
ATOM   411  O O   . LYS A 1 49  ? 13.507  12.121  32.000 1.000 16.364 0 47  LYS AAA O   1 ? 
ATOM   412  C CB  . LYS A 1 49  ? 11.690  9.638   30.724 1.000 17.979 0 47  LYS AAA CB  1 ? 
ATOM   413  C CG  . LYS A 1 49  ? 10.223  9.326   30.526 1.000 19.386 0 47  LYS AAA CG  1 ? 
ATOM   414  C CD  . LYS A 1 49  ? 9.889   7.919   30.959 1.000 22.381 0 47  LYS AAA CD  1 ? 
ATOM   415  C CE  . LYS A 1 49  ? 8.413   7.628   30.828 1.000 26.075 0 47  LYS AAA CE  1 ? 
ATOM   416  N NZ  . LYS A 1 49  ? 8.136   6.186   31.041 1.000 28.403 0 47  LYS AAA NZ  1 ? 
ATOM   417  N N   A ASN A 1 50  ? 14.490  11.074  30.232 0.500 15.833 0 48  ASN AAA N   1 ? 
ATOM   418  N N   B ASN A 1 50  ? 14.473  11.089  30.220 0.500 15.643 0 48  ASN AAA N   1 ? 
ATOM   419  C CA  A ASN A 1 50  ? 15.905  11.309  30.631 0.500 16.929 0 48  ASN AAA CA  1 ? 
ATOM   420  C CA  B ASN A 1 50  ? 15.877  11.315  30.629 0.500 16.617 0 48  ASN AAA CA  1 ? 
ATOM   421  C C   A ASN A 1 50  ? 16.200  12.820  30.640 0.500 17.274 0 48  ASN AAA C   1 ? 
ATOM   422  C C   B ASN A 1 50  ? 16.184  12.821  30.653 0.500 17.100 0 48  ASN AAA C   1 ? 
ATOM   423  O O   A ASN A 1 50  ? 17.140  13.229  31.341 0.500 18.828 0 48  ASN AAA O   1 ? 
ATOM   424  O O   B ASN A 1 50  ? 17.106  13.225  31.379 0.500 18.708 0 48  ASN AAA O   1 ? 
ATOM   425  C CB  A ASN A 1 50  ? 16.898  10.558  29.733 0.500 17.660 0 48  ASN AAA CB  1 ? 
ATOM   426  C CB  B ASN A 1 50  ? 16.823  10.557  29.705 0.500 17.100 0 48  ASN AAA CB  1 ? 
ATOM   427  C CG  A ASN A 1 50  ? 16.880  9.052   29.919 0.500 19.087 0 48  ASN AAA CG  1 ? 
ATOM   428  C CG  B ASN A 1 50  ? 18.260  10.758  30.101 0.500 18.248 0 48  ASN AAA CG  1 ? 
ATOM   429  O OD1 A ASN A 1 50  ? 16.521  8.566   30.987 0.500 21.002 0 48  ASN AAA OD1 1 ? 
ATOM   430  O OD1 B ASN A 1 50  ? 18.620  10.459  31.239 0.500 18.896 0 48  ASN AAA OD1 1 ? 
ATOM   431  N ND2 A ASN A 1 50  ? 17.271  8.306   28.892 0.500 18.687 0 48  ASN AAA ND2 1 ? 
ATOM   432  N ND2 B ASN A 1 50  ? 19.064  11.280  29.182 0.500 17.904 0 48  ASN AAA ND2 1 ? 
ATOM   433  N N   . ALA A 1 51  ? 15.434  13.623  29.889 1.000 17.312 0 49  ALA AAA N   1 ? 
ATOM   434  C CA  . ALA A 1 51  ? 15.664  15.076  29.698 1.000 16.444 0 49  ALA AAA CA  1 ? 
ATOM   435  C C   . ALA A 1 51  ? 14.663  15.906  30.515 1.000 15.761 0 49  ALA AAA C   1 ? 
ATOM   436  O O   . ALA A 1 51  ? 14.516  17.100  30.227 1.000 14.471 0 49  ALA AAA O   1 ? 
ATOM   437  C CB  . ALA A 1 51  ? 15.550  15.391  28.227 1.000 17.283 0 49  ALA AAA CB  1 ? 
ATOM   438  N N   . ASP A 1 52  ? 13.940  15.303  31.447 1.000 16.109 0 50  ASP AAA N   1 ? 
ATOM   439  C CA  . ASP A 1 52  ? 12.838  15.968  32.205 1.000 17.247 0 50  ASP AAA CA  1 ? 
ATOM   440  C C   . ASP A 1 52  ? 11.835  16.637  31.246 1.000 16.312 0 50  ASP AAA C   1 ? 
ATOM   441  O O   . ASP A 1 52  ? 11.351  17.758  31.537 1.000 14.884 0 50  ASP AAA O   1 ? 
ATOM   442  C CB  . ASP A 1 52  ? 13.397  16.970  33.224 1.000 18.683 0 50  ASP AAA CB  1 ? 
ATOM   443  C CG  . ASP A 1 52  ? 12.368  17.531  34.195 1.000 20.671 0 50  ASP AAA CG  1 ? 
ATOM   444  O OD1 . ASP A 1 52  ? 11.444  16.771  34.592 1.000 22.126 0 50  ASP AAA OD1 1 ? 
ATOM   445  O OD2 . ASP A 1 52  ? 12.456  18.748  34.517 1.000 19.253 0 50  ASP AAA OD2 1 ? 
ATOM   446  N N   . ASN A 1 53  ? 11.509  15.982  30.126 1.000 15.771 0 51  ASN AAA N   1 ? 
ATOM   447  C CA  . ASN A 1 53  ? 10.531  16.531  29.154 1.000 15.486 0 51  ASN AAA CA  1 ? 
ATOM   448  C C   . ASN A 1 53  ? 9.546   15.427  28.736 1.000 15.172 0 51  ASN AAA C   1 ? 
ATOM   449  O O   . ASN A 1 53  ? 9.203   15.329  27.538 1.000 12.311 0 51  ASN AAA O   1 ? 
ATOM   450  C CB  . ASN A 1 53  ? 11.234  17.199  27.993 1.000 17.095 0 51  ASN AAA CB  1 ? 
ATOM   451  C CG  . ASN A 1 53  ? 10.273  17.983  27.142 1.000 17.053 0 51  ASN AAA CG  1 ? 
ATOM   452  O OD1 . ASN A 1 53  ? 9.397   18.667  27.664 1.000 18.447 0 51  ASN AAA OD1 1 ? 
ATOM   453  N ND2 . ASN A 1 53  ? 10.415  17.837  25.842 1.000 17.916 0 51  ASN AAA ND2 1 ? 
ATOM   454  N N   . ASP A 1 54  ? 9.079   14.637  29.696 1.000 14.704 0 52  ASP AAA N   1 ? 
ATOM   455  C CA  . ASP A 1 54  ? 8.091   13.564  29.384 1.000 15.099 0 52  ASP AAA CA  1 ? 
ATOM   456  C C   . ASP A 1 54  ? 6.732   14.208  29.120 1.000 15.975 0 52  ASP AAA C   1 ? 
ATOM   457  O O   . ASP A 1 54  ? 5.911   14.260  30.053 1.000 20.711 0 52  ASP AAA O   1 ? 
ATOM   458  C CB  . ASP A 1 54  ? 8.018   12.529  30.497 1.000 17.504 0 52  ASP AAA CB  1 ? 
ATOM   459  C CG  . ASP A 1 54  ? 7.279   11.275  30.094 1.000 18.268 0 52  ASP AAA CG  1 ? 
ATOM   460  O OD1 . ASP A 1 54  ? 7.093   11.064  28.879 1.000 18.873 0 52  ASP AAA OD1 1 ? 
ATOM   461  O OD2 . ASP A 1 54  ? 6.866   10.527  31.015 1.000 22.102 0 52  ASP AAA OD2 1 ? 
ATOM   462  N N   . TRP A 1 55  ? 6.426   14.547  27.871 1.000 14.409 0 53  TRP AAA N   1 ? 
ATOM   463  C CA  . TRP A 1 55  ? 5.344   15.510  27.566 1.000 12.670 0 53  TRP AAA CA  1 ? 
ATOM   464  C C   . TRP A 1 55  ? 4.141   14.872  26.878 1.000 12.170 0 53  TRP AAA C   1 ? 
ATOM   465  O O   . TRP A 1 55  ? 3.203   15.617  26.573 1.000 11.340 0 53  TRP AAA O   1 ? 
ATOM   466  C CB  . TRP A 1 55  ? 5.884   16.688  26.762 1.000 12.206 0 53  TRP AAA CB  1 ? 
ATOM   467  C CG  . TRP A 1 55  ? 6.325   16.370  25.372 1.000 11.511 0 53  TRP AAA CG  1 ? 
ATOM   468  C CD1 . TRP A 1 55  ? 7.532   15.868  24.981 1.000 11.965 0 53  TRP AAA CD1 1 ? 
ATOM   469  C CD2 . TRP A 1 55  ? 5.552   16.551  24.167 1.000 11.571 0 53  TRP AAA CD2 1 ? 
ATOM   470  N NE1 . TRP A 1 55  ? 7.582   15.754  23.610 1.000 11.634 0 53  TRP AAA NE1 1 ? 
ATOM   471  C CE2 . TRP A 1 55  ? 6.389   16.187  23.088 1.000 11.527 0 53  TRP AAA CE2 1 ? 
ATOM   472  C CE3 . TRP A 1 55  ? 4.262   17.049  23.904 1.000 11.359 0 53  TRP AAA CE3 1 ? 
ATOM   473  C CZ2 . TRP A 1 55  ? 5.961   16.285  21.768 1.000 11.044 0 53  TRP AAA CZ2 1 ? 
ATOM   474  C CZ3 . TRP A 1 55  ? 3.836   17.132  22.593 1.000 10.383 0 53  TRP AAA CZ3 1 ? 
ATOM   475  C CH2 . TRP A 1 55  ? 4.678   16.745  21.554 1.000 11.083 0 53  TRP AAA CH2 1 ? 
ATOM   476  N N   . PHE A 1 56  ? 4.135   13.565  26.621 1.000 12.896 0 54  PHE AAA N   1 ? 
ATOM   477  C CA  . PHE A 1 56  ? 2.935   12.950  25.992 1.000 13.742 0 54  PHE AAA CA  1 ? 
ATOM   478  C C   . PHE A 1 56  ? 2.898   11.444  26.223 1.000 14.000 0 54  PHE AAA C   1 ? 
ATOM   479  O O   . PHE A 1 56  ? 3.908   10.806  26.510 1.000 12.494 0 54  PHE AAA O   1 ? 
ATOM   480  C CB  . PHE A 1 56  ? 2.929   13.215  24.492 1.000 13.270 0 54  PHE AAA CB  1 ? 
ATOM   481  C CG  . PHE A 1 56  ? 3.883   12.318  23.744 1.000 13.197 0 54  PHE AAA CG  1 ? 
ATOM   482  C CD1 . PHE A 1 56  ? 3.453   11.117  23.198 1.000 13.023 0 54  PHE AAA CD1 1 ? 
ATOM   483  C CD2 . PHE A 1 56  ? 5.217   12.677  23.594 1.000 12.376 0 54  PHE AAA CD2 1 ? 
ATOM   484  C CE1 . PHE A 1 56  ? 4.354   10.279  22.548 1.000 12.851 0 54  PHE AAA CE1 1 ? 
ATOM   485  C CE2 . PHE A 1 56  ? 6.114   11.815  22.983 1.000 12.868 0 54  PHE AAA CE2 1 ? 
ATOM   486  C CZ  . PHE A 1 56  ? 5.670   10.648  22.413 1.000 12.740 0 54  PHE AAA CZ  1 ? 
ATOM   487  N N   . ARG A 1 57  ? 1.702   10.916  26.026 1.000 15.210 0 55  ARG AAA N   1 ? 
ATOM   488  C CA  . ARG A 1 57  ? 1.411   9.469   25.979 1.000 16.707 0 55  ARG AAA CA  1 ? 
ATOM   489  C C   . ARG A 1 57  ? 0.522   9.240   24.760 1.000 15.189 0 55  ARG AAA C   1 ? 
ATOM   490  O O   . ARG A 1 57  ? -0.347  10.083  24.524 1.000 14.166 0 55  ARG AAA O   1 ? 
ATOM   491  C CB  . ARG A 1 57  ? 0.693   9.007   27.244 1.000 17.969 0 55  ARG AAA CB  1 ? 
ATOM   492  C CG  . ARG A 1 57  ? 1.532   9.037   28.512 1.000 22.524 0 55  ARG AAA CG  1 ? 
ATOM   493  C CD  . ARG A 1 57  ? 2.462   7.845   28.578 1.000 25.798 0 55  ARG AAA CD  1 ? 
ATOM   494  N NE  . ARG A 1 57  ? 3.367   7.919   29.722 1.000 29.304 0 55  ARG AAA NE  1 ? 
ATOM   495  C CZ  . ARG A 1 57  ? 4.503   8.623   29.771 1.000 30.161 0 55  ARG AAA CZ  1 ? 
ATOM   496  N NH1 . ARG A 1 57  ? 4.907   9.339   28.729 1.000 24.896 0 55  ARG AAA NH1 1 ? 
ATOM   497  N NH2 . ARG A 1 57  ? 5.233   8.588   30.878 1.000 31.318 0 55  ARG AAA NH2 1 ? 
ATOM   498  N N   . LEU A 1 58  ? 0.724   8.119   24.063 1.000 14.280 0 56  LEU AAA N   1 ? 
ATOM   499  C CA  . LEU A 1 58  ? -0.115  7.723   22.913 1.000 14.721 0 56  LEU AAA CA  1 ? 
ATOM   500  C C   . LEU A 1 58  ? -0.412  6.235   23.017 1.000 16.534 0 56  LEU AAA C   1 ? 
ATOM   501  O O   . LEU A 1 58  ? 0.479   5.470   23.477 1.000 16.072 0 56  LEU AAA O   1 ? 
ATOM   502  C CB  . LEU A 1 58  ? 0.622   8.022   21.614 1.000 14.432 0 56  LEU AAA CB  1 ? 
ATOM   503  C CG  . LEU A 1 58  ? 0.503   9.451   21.105 1.000 15.357 0 56  LEU AAA CG  1 ? 
ATOM   504  C CD1 . LEU A 1 58  ? 1.331   9.611   19.846 1.000 15.438 0 56  LEU AAA CD1 1 ? 
ATOM   505  C CD2 . LEU A 1 58  ? -0.953  9.845   20.834 1.000 14.451 0 56  LEU AAA CD2 1 ? 
ATOM   506  N N   . GLU A 1 59  ? -1.630  5.869   22.647 1.000 16.351 0 57  GLU AAA N   1 ? 
ATOM   507  C CA  . GLU A 1 59  ? -2.007  4.462   22.403 1.000 16.976 0 57  GLU AAA CA  1 ? 
ATOM   508  C C   . GLU A 1 59  ? -2.739  4.415   21.063 1.000 15.211 0 57  GLU AAA C   1 ? 
ATOM   509  O O   . GLU A 1 59  ? -3.183  5.476   20.543 1.000 12.666 0 57  GLU AAA O   1 ? 
ATOM   510  C CB  . GLU A 1 59  ? -2.837  3.906   23.553 1.000 20.986 0 57  GLU AAA CB  1 ? 
ATOM   511  C CG  . GLU A 1 59  ? -4.056  4.717   23.925 1.000 26.407 0 57  GLU AAA CG  1 ? 
ATOM   512  C CD  . GLU A 1 59  ? -4.588  4.318   25.296 1.000 30.718 0 57  GLU AAA CD  1 ? 
ATOM   513  O OE1 . GLU A 1 59  ? -4.497  5.154   26.231 1.000 37.985 0 57  GLU AAA OE1 1 ? 
ATOM   514  O OE2 . GLU A 1 59  ? -5.016  3.145   25.442 1.000 32.640 0 57  GLU AAA OE2 1 ? 
ATOM   515  N N   . SER A 1 60  ? -2.870  3.221   20.507 1.000 14.323 0 58  SER AAA N   1 ? 
ATOM   516  C CA  . SER A 1 60  ? -3.596  3.042   19.232 1.000 12.386 0 58  SER AAA CA  1 ? 
ATOM   517  C C   . SER A 1 60  ? -4.677  1.977   19.431 1.000 12.751 0 58  SER AAA C   1 ? 
ATOM   518  O O   . SER A 1 60  ? -4.587  1.179   20.407 1.000 12.910 0 58  SER AAA O   1 ? 
ATOM   519  C CB  . SER A 1 60  ? -2.666  2.666   18.113 1.000 11.903 0 58  SER AAA CB  1 ? 
ATOM   520  O OG  . SER A 1 60  ? -2.249  1.308   18.232 1.000 11.734 0 58  SER AAA OG  1 ? 
ATOM   521  N N   . ASN A 1 61  ? -5.594  1.914   18.482 1.000 12.171 0 59  ASN AAA N   1 ? 
ATOM   522  C CA  . ASN A 1 61  ? -6.505  0.759   18.365 1.000 12.552 0 59  ASN AAA CA  1 ? 
ATOM   523  C C   . ASN A 1 61  ? -5.670  -0.478  18.005 1.000 13.751 0 59  ASN AAA C   1 ? 
ATOM   524  O O   . ASN A 1 61  ? -4.428  -0.376  17.800 1.000 12.740 0 59  ASN AAA O   1 ? 
ATOM   525  C CB  . ASN A 1 61  ? -7.658  1.073   17.424 1.000 13.327 0 59  ASN AAA CB  1 ? 
ATOM   526  C CG  . ASN A 1 61  ? -7.220  1.436   16.023 1.000 13.687 0 59  ASN AAA CG  1 ? 
ATOM   527  O OD1 . ASN A 1 61  ? -6.033  1.503   15.693 1.000 12.584 0 59  ASN AAA OD1 1 ? 
ATOM   528  N ND2 . ASN A 1 61  ? -8.202  1.737   15.204 1.000 13.800 0 59  ASN AAA ND2 1 ? 
ATOM   529  N N   . LYS A 1 62  ? -6.317  -1.632  17.884 1.000 13.998 0 60  LYS AAA N   1 ? 
ATOM   530  C CA  . LYS A 1 62  ? -5.594  -2.869  17.546 1.000 15.215 0 60  LYS AAA CA  1 ? 
ATOM   531  C C   . LYS A 1 62  ? -4.870  -2.687  16.213 1.000 15.629 0 60  LYS AAA C   1 ? 
ATOM   532  O O   . LYS A 1 62  ? -3.682  -3.086  16.131 1.000 15.406 0 60  LYS AAA O   1 ? 
ATOM   533  C CB  . LYS A 1 62  ? -6.519  -4.092  17.530 1.000 17.456 0 60  LYS AAA CB  1 ? 
ATOM   534  C CG  . LYS A 1 62  ? -5.795  -5.374  17.135 1.000 20.063 0 60  LYS AAA CG  1 ? 
ATOM   535  C CD  . LYS A 1 62  ? -6.622  -6.637  17.338 1.000 24.677 0 60  LYS AAA CD  1 ? 
ATOM   536  C CE  . LYS A 1 62  ? -6.640  -7.562  16.137 1.000 29.320 0 60  LYS AAA CE  1 ? 
ATOM   537  N NZ  . LYS A 1 62  ? -5.315  -7.721  15.493 1.000 34.196 0 60  LYS AAA NZ  1 ? 
ATOM   538  N N   . GLU A 1 63  ? -5.505  -2.081  15.208 1.000 15.042 0 61  GLU AAA N   1 ? 
ATOM   539  C CA  . GLU A 1 63  ? -4.951  -2.037  13.822 1.000 18.233 0 61  GLU AAA CA  1 ? 
ATOM   540  C C   . GLU A 1 63  ? -3.962  -0.877  13.654 1.000 19.188 0 61  GLU AAA C   1 ? 
ATOM   541  O O   . GLU A 1 63  ? -3.393  -0.775  12.563 1.000 19.970 0 61  GLU AAA O   1 ? 
ATOM   542  C CB  . GLU A 1 63  ? -6.087  -1.905  12.809 1.000 20.529 0 61  GLU AAA CB  1 ? 
ATOM   543  C CG  . GLU A 1 63  ? -7.000  -3.121  12.819 1.000 20.909 0 61  GLU AAA CG  1 ? 
ATOM   544  C CD  . GLU A 1 63  ? -6.314  -4.445  12.512 1.000 25.114 0 61  GLU AAA CD  1 ? 
ATOM   545  O OE1 . GLU A 1 63  ? -5.455  -4.455  11.596 1.000 30.195 0 61  GLU AAA OE1 1 ? 
ATOM   546  O OE2 . GLU A 1 63  ? -6.616  -5.468  13.175 1.000 27.726 0 61  GLU AAA OE2 1 ? 
ATOM   547  N N   . GLY A 1 64  ? -3.796  -0.023  14.664 1.000 16.963 0 62  GLY AAA N   1 ? 
ATOM   548  C CA  . GLY A 1 64  ? -2.846  1.106   14.611 1.000 17.147 0 62  GLY AAA CA  1 ? 
ATOM   549  C C   . GLY A 1 64  ? -3.261  2.182   13.606 1.000 18.238 0 62  GLY AAA C   1 ? 
ATOM   550  O O   . GLY A 1 64  ? -2.359  2.891   13.122 1.000 18.209 0 62  GLY AAA O   1 ? 
ATOM   551  N N   . THR A 1 65  ? -4.568  2.363   13.372 1.000 17.473 0 63  THR AAA N   1 ? 
ATOM   552  C CA  . THR A 1 65  ? -5.178  3.327   12.410 1.000 18.730 0 63  THR AAA CA  1 ? 
ATOM   553  C C   . THR A 1 65  ? -5.744  4.537   13.148 1.000 18.000 0 63  THR AAA C   1 ? 
ATOM   554  O O   . THR A 1 65  ? -5.981  5.600   12.509 1.000 19.049 0 63  THR AAA O   1 ? 
ATOM   555  C CB  . THR A 1 65  ? -6.275  2.666   11.571 1.000 19.505 0 63  THR AAA CB  1 ? 
ATOM   556  O OG1 . THR A 1 65  ? -7.276  2.137   12.433 1.000 21.114 0 63  THR AAA OG1 1 ? 
ATOM   557  C CG2 . THR A 1 65  ? -5.721  1.582   10.684 1.000 19.789 0 63  THR AAA CG2 1 ? 
ATOM   558  N N   . ARG A 1 66  ? -5.990  4.381   14.442 1.000 16.182 0 64  ARG AAA N   1 ? 
ATOM   559  C CA  . ARG A 1 66  ? -6.520  5.454   15.302 1.000 16.061 0 64  ARG AAA CA  1 ? 
ATOM   560  C C   . ARG A 1 66  ? -5.613  5.572   16.519 1.000 14.093 0 64  ARG AAA C   1 ? 
ATOM   561  O O   . ARG A 1 66  ? -5.398  4.560   17.207 1.000 13.864 0 64  ARG AAA O   1 ? 
ATOM   562  C CB  . ARG A 1 66  ? -7.954  5.154   15.734 1.000 18.437 0 64  ARG AAA CB  1 ? 
ATOM   563  C CG  . ARG A 1 66  ? -8.951  5.149   14.583 1.000 21.427 0 64  ARG AAA CG  1 ? 
ATOM   564  C CD  . ARG A 1 66  ? -9.241  6.556   14.112 1.000 25.552 0 64  ARG AAA CD  1 ? 
ATOM   565  N NE  . ARG A 1 66  ? -10.284 6.712   13.098 1.000 28.290 0 64  ARG AAA NE  1 ? 
ATOM   566  C CZ  . ARG A 1 66  ? -10.148 6.439   11.799 1.000 32.969 0 64  ARG AAA CZ  1 ? 
ATOM   567  N NH1 . ARG A 1 66  ? -9.017  5.937   11.317 1.000 33.987 0 64  ARG AAA NH1 1 ? 
ATOM   568  N NH2 . ARG A 1 66  ? -11.162 6.662   10.977 1.000 33.414 0 64  ARG AAA NH2 1 ? 
ATOM   569  N N   . TRP A 1 67  ? -5.082  6.771   16.729 1.000 12.839 0 65  TRP AAA N   1 ? 
ATOM   570  C CA  . TRP A 1 67  ? -4.149  7.067   17.838 1.000 12.407 0 65  TRP AAA CA  1 ? 
ATOM   571  C C   . TRP A 1 67  ? -4.790  8.099   18.748 1.000 12.892 0 65  TRP AAA C   1 ? 
ATOM   572  O O   . TRP A 1 67  ? -5.490  9.013   18.267 1.000 12.033 0 65  TRP AAA O   1 ? 
ATOM   573  C CB  . TRP A 1 67  ? -2.772  7.505   17.332 1.000 11.860 0 65  TRP AAA CB  1 ? 
ATOM   574  C CG  . TRP A 1 67  ? -2.046  6.407   16.623 1.000 11.134 0 65  TRP AAA CG  1 ? 
ATOM   575  C CD1 . TRP A 1 67  ? -2.285  5.937   15.369 1.000 11.045 0 65  TRP AAA CD1 1 ? 
ATOM   576  C CD2 . TRP A 1 67  ? -0.958  5.634   17.144 1.000 10.994 0 65  TRP AAA CD2 1 ? 
ATOM   577  N NE1 . TRP A 1 67  ? -1.434  4.904   15.077 1.000 11.751 0 65  TRP AAA NE1 1 ? 
ATOM   578  C CE2 . TRP A 1 67  ? -0.590  4.706   16.140 1.000 10.921 0 65  TRP AAA CE2 1 ? 
ATOM   579  C CE3 . TRP A 1 67  ? -0.263  5.639   18.353 1.000 11.667 0 65  TRP AAA CE3 1 ? 
ATOM   580  C CZ2 . TRP A 1 67  ? 0.414   3.769   16.333 1.000 11.425 0 65  TRP AAA CZ2 1 ? 
ATOM   581  C CZ3 . TRP A 1 67  ? 0.711   4.690   18.545 1.000 11.775 0 65  TRP AAA CZ3 1 ? 
ATOM   582  C CH2 . TRP A 1 67  ? 1.074   3.802   17.537 1.000 11.718 0 65  TRP AAA CH2 1 ? 
ATOM   583  N N   . PHE A 1 68  ? -4.540  7.961   20.035 1.000 12.901 0 66  PHE AAA N   1 ? 
ATOM   584  C CA  . PHE A 1 68  ? -5.166  8.854   21.024 1.000 14.713 0 66  PHE AAA CA  1 ? 
ATOM   585  C C   . PHE A 1 68  ? -4.280  8.854   22.244 1.000 14.033 0 66  PHE AAA C   1 ? 
ATOM   586  O O   . PHE A 1 68  ? -3.620  7.833   22.532 1.000 14.626 0 66  PHE AAA O   1 ? 
ATOM   587  C CB  . PHE A 1 68  ? -6.608  8.451   21.344 1.000 16.142 0 66  PHE AAA CB  1 ? 
ATOM   588  C CG  . PHE A 1 68  ? -6.824  7.008   21.689 1.000 20.446 0 66  PHE AAA CG  1 ? 
ATOM   589  C CD1 . PHE A 1 68  ? -6.907  6.611   23.007 1.000 24.507 0 66  PHE AAA CD1 1 ? 
ATOM   590  C CD2 . PHE A 1 68  ? -6.947  6.053   20.692 1.000 23.852 0 66  PHE AAA CD2 1 ? 
ATOM   591  C CE1 . PHE A 1 68  ? -7.122  5.283   23.326 1.000 26.481 0 66  PHE AAA CE1 1 ? 
ATOM   592  C CE2 . PHE A 1 68  ? -7.150  4.719   21.014 1.000 25.055 0 66  PHE AAA CE2 1 ? 
ATOM   593  C CZ  . PHE A 1 68  ? -7.223  4.339   22.333 1.000 27.174 0 66  PHE AAA CZ  1 ? 
ATOM   594  N N   . GLY A 1 69  ? -4.321  9.976   22.943 1.000 13.440 0 67  GLY AAA N   1 ? 
ATOM   595  C CA  . GLY A 1 69  ? -3.729  10.098  24.267 1.000 15.052 0 67  GLY AAA CA  1 ? 
ATOM   596  C C   . GLY A 1 69  ? -3.749  11.523  24.740 1.000 14.763 0 67  GLY AAA C   1 ? 
ATOM   597  O O   . GLY A 1 69  ? -4.813  12.195  24.639 1.000 13.905 0 67  GLY AAA O   1 ? 
ATOM   598  N N   . LYS A 1 70  ? -2.625  11.943  25.309 1.000 15.287 0 68  LYS AAA N   1 ? 
ATOM   599  C CA  . LYS A 1 70  ? -2.543  13.174  26.127 1.000 16.981 0 68  LYS AAA CA  1 ? 
ATOM   600  C C   . LYS A 1 70  ? -1.172  13.795  25.887 1.000 16.407 0 68  LYS AAA C   1 ? 
ATOM   601  O O   . LYS A 1 70  ? -0.194  13.055  25.682 1.000 17.907 0 68  LYS AAA O   1 ? 
ATOM   602  C CB  . LYS A 1 70  ? -2.753  12.847  27.605 1.000 19.883 0 68  LYS AAA CB  1 ? 
ATOM   603  C CG  . LYS A 1 70  ? -4.195  12.527  27.979 1.000 24.680 0 68  LYS AAA CG  1 ? 
ATOM   604  C CD  . LYS A 1 70  ? -4.360  12.019  29.409 1.000 29.221 0 68  LYS AAA CD  1 ? 
ATOM   605  C CE  . LYS A 1 70  ? -5.801  11.647  29.738 1.000 30.978 0 68  LYS AAA CE  1 ? 
ATOM   606  N NZ  . LYS A 1 70  ? -6.673  12.842  29.756 1.000 32.534 0 68  LYS AAA NZ  1 ? 
ATOM   607  N N   . CYS A 1 71  ? -1.114  15.113  25.880 1.000 14.605 0 69  CYS AAA N   1 ? 
ATOM   608  C CA  . CYS A 1 71  ? 0.156   15.858  25.935 1.000 14.480 0 69  CYS AAA CA  1 ? 
ATOM   609  C C   . CYS A 1 71  ? 0.032   16.841  27.102 1.000 14.158 0 69  CYS AAA C   1 ? 
ATOM   610  O O   . CYS A 1 71  ? -1.113  17.173  27.498 1.000 14.002 0 69  CYS AAA O   1 ? 
ATOM   611  C CB  . CYS A 1 71  ? 0.464   16.528  24.595 1.000 14.224 0 69  CYS AAA CB  1 ? 
ATOM   612  S SG  . CYS A 1 71  ? -0.614  17.915  24.177 1.000 14.860 0 69  CYS AAA SG  1 ? 
ATOM   613  N N   . TRP A 1 72  ? 1.162   17.237  27.661 1.000 14.957 0 70  TRP AAA N   1 ? 
ATOM   614  C CA  . TRP A 1 72  ? 1.262   18.151  28.824 1.000 18.000 0 70  TRP AAA CA  1 ? 
ATOM   615  C C   . TRP A 1 72  ? 2.207   19.263  28.412 1.000 17.391 0 70  TRP AAA C   1 ? 
ATOM   616  O O   . TRP A 1 72  ? 3.258   18.963  27.805 1.000 18.155 0 70  TRP AAA O   1 ? 
ATOM   617  C CB  . TRP A 1 72  ? 1.781   17.436  30.074 1.000 20.965 0 70  TRP AAA CB  1 ? 
ATOM   618  C CG  . TRP A 1 72  ? 0.903   16.310  30.500 1.000 27.742 0 70  TRP AAA CG  1 ? 
ATOM   619  C CD1 . TRP A 1 72  ? -0.251  16.409  31.230 1.000 31.277 0 70  TRP AAA CD1 1 ? 
ATOM   620  C CD2 . TRP A 1 72  ? 1.068   14.912  30.198 1.000 28.411 0 70  TRP AAA CD2 1 ? 
ATOM   621  N NE1 . TRP A 1 72  ? -0.802  15.168  31.419 1.000 31.317 0 70  TRP AAA NE1 1 ? 
ATOM   622  C CE2 . TRP A 1 72  ? -0.019  14.229  30.796 1.000 31.575 0 70  TRP AAA CE2 1 ? 
ATOM   623  C CE3 . TRP A 1 72  ? 2.032   14.168  29.515 1.000 30.025 0 70  TRP AAA CE3 1 ? 
ATOM   624  C CZ2 . TRP A 1 72  ? -0.164  12.843  30.714 1.000 31.527 0 70  TRP AAA CZ2 1 ? 
ATOM   625  C CZ3 . TRP A 1 72  ? 1.886   12.805  29.426 1.000 28.403 0 70  TRP AAA CZ3 1 ? 
ATOM   626  C CH2 . TRP A 1 72  ? 0.800   12.153  30.013 1.000 31.688 0 70  TRP AAA CH2 1 ? 
ATOM   627  N N   . TYR A 1 73  ? 1.849   20.488  28.747 1.000 16.036 0 71  TYR AAA N   1 ? 
ATOM   628  C CA  . TYR A 1 73  ? 2.746   21.642  28.545 1.000 16.564 0 71  TYR AAA CA  1 ? 
ATOM   629  C C   . TYR A 1 73  ? 2.862   22.366  29.881 1.000 17.164 0 71  TYR AAA C   1 ? 
ATOM   630  O O   . TYR A 1 73  ? 1.824   22.675  30.474 1.000 14.868 0 71  TYR AAA O   1 ? 
ATOM   631  C CB  . TYR A 1 73  ? 2.208   22.543  27.443 1.000 16.962 0 71  TYR AAA CB  1 ? 
ATOM   632  C CG  . TYR A 1 73  ? 3.188   23.618  27.084 1.000 19.552 0 71  TYR AAA CG  1 ? 
ATOM   633  C CD1 . TYR A 1 73  ? 4.233   23.365  26.202 1.000 19.693 0 71  TYR AAA CD1 1 ? 
ATOM   634  C CD2 . TYR A 1 73  ? 3.097   24.873  27.674 1.000 19.117 0 71  TYR AAA CD2 1 ? 
ATOM   635  C CE1 . TYR A 1 73  ? 5.152   24.351  25.887 1.000 20.397 0 71  TYR AAA CE1 1 ? 
ATOM   636  C CE2 . TYR A 1 73  ? 4.016   25.869  27.371 1.000 20.597 0 71  TYR AAA CE2 1 ? 
ATOM   637  C CZ  . TYR A 1 73  ? 5.048   25.604  26.484 1.000 22.212 0 71  TYR AAA CZ  1 ? 
ATOM   638  O OH  . TYR A 1 73  ? 5.957   26.597  26.220 1.000 22.728 0 71  TYR AAA OH  1 ? 
ATOM   639  N N   . ILE A 1 74  ? 4.086   22.626  30.324 1.000 17.390 0 72  ILE AAA N   1 ? 
ATOM   640  C CA  . ILE A 1 74  ? 4.307   23.353  31.603 1.000 19.212 0 72  ILE AAA CA  1 ? 
ATOM   641  C C   . ILE A 1 74  ? 4.603   24.803  31.245 1.000 19.665 0 72  ILE AAA C   1 ? 
ATOM   642  O O   . ILE A 1 74  ? 5.446   25.058  30.352 1.000 20.467 0 72  ILE AAA O   1 ? 
ATOM   643  C CB  . ILE A 1 74  ? 5.392   22.667  32.435 1.000 21.710 0 72  ILE AAA CB  1 ? 
ATOM   644  C CG1 . ILE A 1 74  ? 5.114   21.160  32.506 1.000 23.436 0 72  ILE AAA CG1 1 ? 
ATOM   645  C CG2 . ILE A 1 74  ? 5.487   23.303  33.813 1.000 22.676 0 72  ILE AAA CG2 1 ? 
ATOM   646  C CD1 . ILE A 1 74  ? 6.179   20.356  33.159 1.000 24.535 0 72  ILE AAA CD1 1 ? 
ATOM   647  N N   . HIS A 1 75  ? 3.878   25.730  31.849 1.000 19.460 0 73  HIS AAA N   1 ? 
ATOM   648  C CA  . HIS A 1 75  ? 4.061   27.186  31.621 1.000 20.235 0 73  HIS AAA CA  1 ? 
ATOM   649  C C   . HIS A 1 75  ? 4.073   27.894  32.981 1.000 19.522 0 73  HIS AAA C   1 ? 
ATOM   650  O O   . HIS A 1 75  ? 3.056   27.799  33.695 1.000 18.685 0 73  HIS AAA O   1 ? 
ATOM   651  C CB  . HIS A 1 75  ? 2.974   27.745  30.707 1.000 19.723 0 73  HIS AAA CB  1 ? 
ATOM   652  C CG  . HIS A 1 75  ? 3.308   29.120  30.253 1.000 20.492 0 73  HIS AAA CG  1 ? 
ATOM   653  N ND1 . HIS A 1 75  ? 2.675   30.233  30.741 1.000 23.857 0 73  HIS AAA ND1 1 ? 
ATOM   654  C CD2 . HIS A 1 75  ? 4.283   29.554  29.432 1.000 20.879 0 73  HIS AAA CD2 1 ? 
ATOM   655  C CE1 . HIS A 1 75  ? 3.210   31.303  30.197 1.000 24.150 0 73  HIS AAA CE1 1 ? 
ATOM   656  N NE2 . HIS A 1 75  ? 4.220   30.910  29.415 1.000 23.746 0 73  HIS AAA NE2 1 ? 
ATOM   657  N N   . ASP A 1 76  ? 5.176   28.570  33.324 1.000 21.761 0 74  ASP AAA N   1 ? 
ATOM   658  C CA  . ASP A 1 76  ? 5.301   29.295  34.620 1.000 20.498 0 74  ASP AAA CA  1 ? 
ATOM   659  C C   . ASP A 1 76  ? 5.051   28.280  35.750 1.000 18.746 0 74  ASP AAA C   1 ? 
ATOM   660  O O   . ASP A 1 76  ? 4.353   28.651  36.723 1.000 17.735 0 74  ASP AAA O   1 ? 
ATOM   661  C CB  . ASP A 1 76  ? 4.321   30.474  34.703 1.000 23.808 0 74  ASP AAA CB  1 ? 
ATOM   662  C CG  . ASP A 1 76  ? 4.642   31.669  33.814 1.000 26.121 0 74  ASP AAA CG  1 ? 
ATOM   663  O OD1 . ASP A 1 76  ? 5.756   31.690  33.248 1.000 24.618 0 74  ASP AAA OD1 1 ? 
ATOM   664  O OD2 . ASP A 1 76  ? 3.757   32.573  33.690 1.000 26.382 0 74  ASP AAA OD2 1 ? 
ATOM   665  N N   . LEU A 1 77  ? 5.549   27.044  35.560 1.000 16.399 0 75  LEU AAA N   1 ? 
ATOM   666  C CA  . LEU A 1 77  ? 5.548   25.884  36.493 1.000 16.880 0 75  LEU AAA CA  1 ? 
ATOM   667  C C   . LEU A 1 77  ? 4.144   25.274  36.671 1.000 16.067 0 75  LEU AAA C   1 ? 
ATOM   668  O O   . LEU A 1 77  ? 4.024   24.376  37.521 1.000 18.270 0 75  LEU AAA O   1 ? 
ATOM   669  C CB  . LEU A 1 77  ? 6.121   26.314  37.854 1.000 16.604 0 75  LEU AAA CB  1 ? 
ATOM   670  C CG  . LEU A 1 77  ? 7.611   26.622  37.887 1.000 16.435 0 75  LEU AAA CG  1 ? 
ATOM   671  C CD1 . LEU A 1 77  ? 8.014   27.106  39.270 1.000 16.529 0 75  LEU AAA CD1 1 ? 
ATOM   672  C CD2 . LEU A 1 77  ? 8.446   25.416  37.508 1.000 16.941 0 75  LEU AAA CD2 1 ? 
ATOM   673  N N   . LEU A 1 78  ? 3.126   25.723  35.939 1.000 15.615 0 76  LEU AAA N   1 ? 
ATOM   674  C CA  . LEU A 1 78  ? 1.769   25.083  35.936 1.000 16.160 0 76  LEU AAA CA  1 ? 
ATOM   675  C C   . LEU A 1 78  ? 1.672   24.106  34.754 1.000 16.505 0 76  LEU AAA C   1 ? 
ATOM   676  O O   . LEU A 1 78  ? 2.164   24.445  33.680 1.000 15.110 0 76  LEU AAA O   1 ? 
ATOM   677  C CB  . LEU A 1 78  ? 0.698   26.159  35.852 1.000 17.585 0 76  LEU AAA CB  1 ? 
ATOM   678  C CG  . LEU A 1 78  ? 0.613   27.070  37.068 1.000 18.280 0 76  LEU AAA CG  1 ? 
ATOM   679  C CD1 . LEU A 1 78  ? -0.586  27.984  36.963 1.000 19.305 0 76  LEU AAA CD1 1 ? 
ATOM   680  C CD2 . LEU A 1 78  ? 0.596   26.251  38.337 1.000 18.031 0 76  LEU AAA CD2 1 ? 
ATOM   681  N N   . LYS A 1 79  ? 1.121   22.917  34.984 1.000 16.949 0 77  LYS AAA N   1 ? 
ATOM   682  C CA  . LYS A 1 79  ? 1.055   21.863  33.938 1.000 17.924 0 77  LYS AAA CA  1 ? 
ATOM   683  C C   . LYS A 1 79  ? -0.328  21.917  33.309 1.000 18.054 0 77  LYS AAA C   1 ? 
ATOM   684  O O   . LYS A 1 79  ? -1.326  21.914  34.052 1.000 20.428 0 77  LYS AAA O   1 ? 
ATOM   685  C CB  . LYS A 1 79  ? 1.371   20.482  34.517 1.000 20.677 0 77  LYS AAA CB  1 ? 
ATOM   686  C CG  . LYS A 1 79  ? 1.148   19.299  33.584 1.000 22.704 0 77  LYS AAA CG  1 ? 
ATOM   687  C CD  . LYS A 1 79  ? 1.713   17.995  34.126 1.000 25.854 0 77  LYS AAA CD  1 ? 
ATOM   688  C CE  . LYS A 1 79  ? 0.716   17.240  34.982 1.000 29.042 0 77  LYS AAA CE  1 ? 
ATOM   689  N N   . TYR A 1 80  ? -0.383  21.981  31.982 1.000 16.123 0 78  TYR AAA N   1 ? 
ATOM   690  C CA  . TYR A 1 80  ? -1.636  22.009  31.204 1.000 15.380 0 78  TYR AAA CA  1 ? 
ATOM   691  C C   . TYR A 1 80  ? -1.722  20.735  30.372 1.000 16.742 0 78  TYR AAA C   1 ? 
ATOM   692  O O   . TYR A 1 80  ? -0.726  20.435  29.670 1.000 15.392 0 78  TYR AAA O   1 ? 
ATOM   693  C CB  . TYR A 1 80  ? -1.689  23.216  30.288 1.000 16.786 0 78  TYR AAA CB  1 ? 
ATOM   694  C CG  . TYR A 1 80  ? -1.656  24.524  31.031 1.000 17.318 0 78  TYR AAA CG  1 ? 
ATOM   695  C CD1 . TYR A 1 80  ? -2.806  25.261  31.229 1.000 18.747 0 78  TYR AAA CD1 1 ? 
ATOM   696  C CD2 . TYR A 1 80  ? -0.470  24.987  31.575 1.000 19.491 0 78  TYR AAA CD2 1 ? 
ATOM   697  C CE1 . TYR A 1 80  ? -2.776  26.465  31.917 1.000 18.198 0 78  TYR AAA CE1 1 ? 
ATOM   698  C CE2 . TYR A 1 80  ? -0.412  26.208  32.234 1.000 19.848 0 78  TYR AAA CE2 1 ? 
ATOM   699  C CZ  . TYR A 1 80  ? -1.574  26.937  32.418 1.000 19.260 0 78  TYR AAA CZ  1 ? 
ATOM   700  O OH  . TYR A 1 80  ? -1.463  28.115  33.105 1.000 20.334 0 78  TYR AAA OH  1 ? 
ATOM   701  N N   . GLU A 1 81  ? -2.833  20.012  30.517 1.000 15.117 0 79  GLU AAA N   1 ? 
ATOM   702  C CA  . GLU A 1 81  ? -3.016  18.699  29.867 1.000 15.301 0 79  GLU AAA CA  1 ? 
ATOM   703  C C   . GLU A 1 81  ? -4.035  18.871  28.760 1.000 14.679 0 79  GLU AAA C   1 ? 
ATOM   704  O O   . GLU A 1 81  ? -5.062  19.559  28.998 1.000 14.751 0 79  GLU AAA O   1 ? 
ATOM   705  C CB  . GLU A 1 81  ? -3.464  17.675  30.894 1.000 17.132 0 79  GLU AAA CB  1 ? 
ATOM   706  C CG  . GLU A 1 81  ? -3.795  16.318  30.315 1.000 20.308 0 79  GLU AAA CG  1 ? 
ATOM   707  C CD  . GLU A 1 81  ? -4.267  15.367  31.399 1.000 23.439 0 79  GLU AAA CD  1 ? 
ATOM   708  O OE1 . GLU A 1 81  ? -3.417  14.936  32.204 1.000 24.317 0 79  GLU AAA OE1 1 ? 
ATOM   709  O OE2 . GLU A 1 81  ? -5.476  15.101  31.454 1.000 27.478 0 79  GLU AAA OE2 1 ? 
ATOM   710  N N   . PHE A 1 82  ? -3.775  18.282  27.595 1.000 14.268 0 80  PHE AAA N   1 ? 
ATOM   711  C CA  . PHE A 1 82  ? -4.740  18.284  26.478 1.000 14.999 0 80  PHE AAA CA  1 ? 
ATOM   712  C C   . PHE A 1 82  ? -4.851  16.886  25.887 1.000 15.898 0 80  PHE AAA C   1 ? 
ATOM   713  O O   . PHE A 1 82  ? -3.804  16.247  25.633 1.000 13.735 0 80  PHE AAA O   1 ? 
ATOM   714  C CB  . PHE A 1 82  ? -4.312  19.233  25.368 1.000 17.175 0 80  PHE AAA CB  1 ? 
ATOM   715  C CG  . PHE A 1 82  ? -3.985  20.609  25.877 1.000 17.133 0 80  PHE AAA CG  1 ? 
ATOM   716  C CD1 . PHE A 1 82  ? -4.991  21.533  26.112 1.000 18.050 0 80  PHE AAA CD1 1 ? 
ATOM   717  C CD2 . PHE A 1 82  ? -2.679  20.932  26.202 1.000 17.677 0 80  PHE AAA CD2 1 ? 
ATOM   718  C CE1 . PHE A 1 82  ? -4.673  22.789  26.610 1.000 19.855 0 80  PHE AAA CE1 1 ? 
ATOM   719  C CE2 . PHE A 1 82  ? -2.364  22.184  26.713 1.000 18.644 0 80  PHE AAA CE2 1 ? 
ATOM   720  C CZ  . PHE A 1 82  ? -3.361  23.109  26.901 1.000 19.368 0 80  PHE AAA CZ  1 ? 
ATOM   721  N N   . ASP A 1 83  ? -6.091  16.464  25.645 1.000 14.702 0 81  ASP AAA N   1 ? 
ATOM   722  C CA  . ASP A 1 83  ? -6.338  15.214  24.901 1.000 16.148 0 81  ASP AAA CA  1 ? 
ATOM   723  C C   . ASP A 1 83  ? -5.952  15.437  23.441 1.000 14.535 0 81  ASP AAA C   1 ? 
ATOM   724  O O   . ASP A 1 83  ? -6.185  16.546  22.908 1.000 14.662 0 81  ASP AAA O   1 ? 
ATOM   725  C CB  . ASP A 1 83  ? -7.784  14.780  25.072 1.000 17.812 0 81  ASP AAA CB  1 ? 
ATOM   726  C CG  . ASP A 1 83  ? -8.101  14.275  26.467 1.000 21.588 0 81  ASP AAA CG  1 ? 
ATOM   727  O OD1 . ASP A 1 83  ? -7.188  13.931  27.212 1.000 24.364 0 81  ASP AAA OD1 1 ? 
ATOM   728  O OD2 . ASP A 1 83  ? -9.287  14.215  26.783 1.000 29.790 0 81  ASP AAA OD2 1 ? 
ATOM   729  N N   . ILE A 1 84  ? -5.327  14.432  22.834 1.000 13.576 0 82  ILE AAA N   1 ? 
ATOM   730  C CA  . ILE A 1 84  ? -4.891  14.487  21.412 1.000 13.472 0 82  ILE AAA CA  1 ? 
ATOM   731  C C   . ILE A 1 84  ? -5.360  13.217  20.708 1.000 13.429 0 82  ILE AAA C   1 ? 
ATOM   732  O O   . ILE A 1 84  ? -5.552  12.195  21.377 1.000 13.194 0 82  ILE AAA O   1 ? 
ATOM   733  C CB  . ILE A 1 84  ? -3.369  14.668  21.276 1.000 13.363 0 82  ILE AAA CB  1 ? 
ATOM   734  C CG1 . ILE A 1 84  ? -2.582  13.463  21.797 1.000 13.544 0 82  ILE AAA CG1 1 ? 
ATOM   735  C CG2 . ILE A 1 84  ? -2.940  15.975  21.929 1.000 13.038 0 82  ILE AAA CG2 1 ? 
ATOM   736  C CD1 . ILE A 1 84  ? -1.080  13.578  21.620 1.000 13.573 0 82  ILE AAA CD1 1 ? 
ATOM   737  N N   . GLU A 1 85  ? -5.518  13.302  19.400 1.000 14.501 0 83  GLU AAA N   1 ? 
ATOM   738  C CA  . GLU A 1 85  ? -5.935  12.160  18.557 1.000 15.597 0 83  GLU AAA CA  1 ? 
ATOM   739  C C   . GLU A 1 85  ? -5.571  12.442  17.099 1.000 14.382 0 83  GLU AAA C   1 ? 
ATOM   740  O O   . GLU A 1 85  ? -5.472  13.611  16.686 1.000 13.306 0 83  GLU AAA O   1 ? 
ATOM   741  C CB  . GLU A 1 85  ? -7.435  11.899  18.728 1.000 17.372 0 83  GLU AAA CB  1 ? 
ATOM   742  C CG  . GLU A 1 85  ? -8.312  13.042  18.250 1.000 18.874 0 83  GLU AAA CG  1 ? 
ATOM   743  C CD  . GLU A 1 85  ? -9.795  12.756  18.430 1.000 20.922 0 83  GLU AAA CD  1 ? 
ATOM   744  O OE1 . GLU A 1 85  ? -10.201 12.515  19.545 1.000 18.576 0 83  GLU AAA OE1 1 ? 
ATOM   745  O OE2 . GLU A 1 85  ? -10.499 12.670  17.421 1.000 27.216 0 83  GLU AAA OE2 1 ? 
ATOM   746  N N   . PHE A 1 86  ? -5.406  11.373  16.336 1.000 14.700 0 84  PHE AAA N   1 ? 
ATOM   747  C CA  . PHE A 1 86  ? -5.261  11.409  14.858 1.000 14.913 0 84  PHE AAA CA  1 ? 
ATOM   748  C C   . PHE A 1 86  ? -5.599  10.045  14.278 1.000 15.399 0 84  PHE AAA C   1 ? 
ATOM   749  O O   . PHE A 1 86  ? -5.453  9.011   14.947 1.000 14.429 0 84  PHE AAA O   1 ? 
ATOM   750  C CB  . PHE A 1 86  ? -3.868  11.883  14.417 1.000 14.639 0 84  PHE AAA CB  1 ? 
ATOM   751  C CG  . PHE A 1 86  ? -2.694  11.165  15.026 1.000 13.978 0 84  PHE AAA CG  1 ? 
ATOM   752  C CD1 . PHE A 1 86  ? -2.103  10.085  14.403 1.000 13.883 0 84  PHE AAA CD1 1 ? 
ATOM   753  C CD2 . PHE A 1 86  ? -2.134  11.605  16.212 1.000 13.837 0 84  PHE AAA CD2 1 ? 
ATOM   754  C CE1 . PHE A 1 86  ? -1.009  9.432   14.957 1.000 13.067 0 84  PHE AAA CE1 1 ? 
ATOM   755  C CE2 . PHE A 1 86  ? -1.061  10.944  16.784 1.000 14.140 0 84  PHE AAA CE2 1 ? 
ATOM   756  C CZ  . PHE A 1 86  ? -0.464  9.892   16.133 1.000 14.213 0 84  PHE AAA CZ  1 ? 
ATOM   757  N N   . ASP A 1 87  ? -6.051  10.078  13.020 1.000 18.570 0 85  ASP AAA N   1 ? 
ATOM   758  C CA  . ASP A 1 87  ? -6.256  8.902   12.140 1.000 20.069 0 85  ASP AAA CA  1 ? 
ATOM   759  C C   . ASP A 1 87  ? -5.002  8.737   11.290 1.000 18.185 0 85  ASP AAA C   1 ? 
ATOM   760  O O   . ASP A 1 87  ? -4.369  9.758   10.974 1.000 17.003 0 85  ASP AAA O   1 ? 
ATOM   761  C CB  . ASP A 1 87  ? -7.458  9.124   11.218 1.000 24.987 0 85  ASP AAA CB  1 ? 
ATOM   762  C CG  . ASP A 1 87  ? -8.735  9.558   11.916 1.000 30.285 0 85  ASP AAA CG  1 ? 
ATOM   763  O OD1 . ASP A 1 87  ? -8.811  9.481   13.166 1.000 34.296 0 85  ASP AAA OD1 1 ? 
ATOM   764  O OD2 . ASP A 1 87  ? -9.654  9.983   11.188 1.000 37.528 0 85  ASP AAA OD2 1 ? 
ATOM   765  N N   . ILE A 1 88  ? -4.649  7.514   10.929 1.000 17.372 0 86  ILE AAA N   1 ? 
ATOM   766  C CA  . ILE A 1 88  ? -3.559  7.258   9.946  1.000 16.637 0 86  ILE AAA CA  1 ? 
ATOM   767  C C   . ILE A 1 88  ? -4.163  7.279   8.549  1.000 18.151 0 86  ILE AAA C   1 ? 
ATOM   768  O O   . ILE A 1 88  ? -5.103  6.531   8.297  1.000 17.351 0 86  ILE AAA O   1 ? 
ATOM   769  C CB  . ILE A 1 88  ? -2.848  5.942   10.251 1.000 15.830 0 86  ILE AAA CB  1 ? 
ATOM   770  C CG1 . ILE A 1 88  ? -2.293  5.947   11.677 1.000 15.055 0 86  ILE AAA CG1 1 ? 
ATOM   771  C CG2 . ILE A 1 88  ? -1.775  5.669   9.214  1.000 16.219 0 86  ILE AAA CG2 1 ? 
ATOM   772  C CD1 . ILE A 1 88  ? -1.273  7.062   11.975 1.000 15.203 0 86  ILE AAA CD1 1 ? 
ATOM   773  N N   . PRO A 1 89  ? -3.672  8.163   7.641  1.000 19.888 0 87  PRO AAA N   1 ? 
ATOM   774  C CA  . PRO A 1 89  ? -4.201  8.238   6.285  1.000 20.814 0 87  PRO AAA CA  1 ? 
ATOM   775  C C   . PRO A 1 89  ? -3.863  6.954   5.514  1.000 19.536 0 87  PRO AAA C   1 ? 
ATOM   776  O O   . PRO A 1 89  ? -2.885  6.331   5.797  1.000 17.668 0 87  PRO AAA O   1 ? 
ATOM   777  C CB  . PRO A 1 89  ? -3.531  9.464   5.628  1.000 20.644 0 87  PRO AAA CB  1 ? 
ATOM   778  C CG  . PRO A 1 89  ? -2.719  10.153  6.735  1.000 22.407 0 87  PRO AAA CG  1 ? 
ATOM   779  C CD  . PRO A 1 89  ? -2.640  9.184   7.895  1.000 21.132 0 87  PRO AAA CD  1 ? 
ATOM   780  N N   . ILE A 1 90  ? -4.697  6.602   4.531  1.000 21.387 0 88  ILE AAA N   1 ? 
ATOM   781  C CA  . ILE A 1 90  ? -4.465  5.395   3.695  1.000 20.196 0 88  ILE AAA CA  1 ? 
ATOM   782  C C   . ILE A 1 90  ? -3.089  5.505   3.050  1.000 17.694 0 88  ILE AAA C   1 ? 
ATOM   783  O O   . ILE A 1 90  ? -2.428  4.451   2.913  1.000 18.514 0 88  ILE AAA O   1 ? 
ATOM   784  C CB  . ILE A 1 90  ? -5.559  5.256   2.623  1.000 23.018 0 88  ILE AAA CB  1 ? 
ATOM   785  C CG1 . ILE A 1 90  ? -6.950  5.119   3.243  1.000 25.108 0 88  ILE AAA CG1 1 ? 
ATOM   786  C CG2 . ILE A 1 90  ? -5.213  4.110   1.702  1.000 25.058 0 88  ILE AAA CG2 1 ? 
ATOM   787  C CD1 . ILE A 1 90  ? -7.046  4.121   4.363  1.000 27.476 0 88  ILE AAA CD1 1 ? 
ATOM   788  N N   . THR A 1 91  ? -2.714  6.726   2.661  1.000 17.808 0 89  THR AAA N   1 ? 
ATOM   789  C CA  . THR A 1 91  ? -1.485  7.102   1.911  1.000 18.380 0 89  THR AAA CA  1 ? 
ATOM   790  C C   . THR A 1 91  ? -0.300  7.296   2.869  1.000 16.049 0 89  THR AAA C   1 ? 
ATOM   791  O O   . THR A 1 91  ? 0.796   7.607   2.392  1.000 15.798 0 89  THR AAA O   1 ? 
ATOM   792  C CB  . THR A 1 91  ? -1.751  8.371   1.078  1.000 19.601 0 89  THR AAA CB  1 ? 
ATOM   793  O OG1 . THR A 1 91  ? -2.373  9.332   1.913  1.000 22.371 0 89  THR AAA OG1 1 ? 
ATOM   794  C CG2 . THR A 1 91  ? -2.663  8.136   -0.102 1.000 23.382 0 89  THR AAA CG2 1 ? 
ATOM   795  N N   . TYR A 1 92  ? -0.454  7.030   4.171  1.000 16.528 0 90  TYR AAA N   1 ? 
ATOM   796  C CA  . TYR A 1 92  ? 0.702   6.997   5.115  1.000 14.580 0 90  TYR AAA CA  1 ? 
ATOM   797  C C   . TYR A 1 92  ? 1.730   5.968   4.641  1.000 15.660 0 90  TYR AAA C   1 ? 
ATOM   798  O O   . TYR A 1 92  ? 1.321   4.905   4.171  1.000 16.576 0 90  TYR AAA O   1 ? 
ATOM   799  C CB  . TYR A 1 92  ? 0.178   6.672   6.516  1.000 14.457 0 90  TYR AAA CB  1 ? 
ATOM   800  C CG  . TYR A 1 92  ? 1.165   6.867   7.640  1.000 12.954 0 90  TYR AAA CG  1 ? 
ATOM   801  C CD1 . TYR A 1 92  ? 1.436   8.126   8.121  1.000 12.390 0 90  TYR AAA CD1 1 ? 
ATOM   802  C CD2 . TYR A 1 92  ? 1.834   5.796   8.225  1.000 13.021 0 90  TYR AAA CD2 1 ? 
ATOM   803  C CE1 . TYR A 1 92  ? 2.352   8.343   9.134  1.000 12.216 0 90  TYR AAA CE1 1 ? 
ATOM   804  C CE2 . TYR A 1 92  ? 2.769   5.995   9.225  1.000 12.604 0 90  TYR AAA CE2 1 ? 
ATOM   805  C CZ  . TYR A 1 92  ? 3.017   7.277   9.698  1.000 12.645 0 90  TYR AAA CZ  1 ? 
ATOM   806  O OH  . TYR A 1 92  ? 3.910   7.523   10.699 1.000 10.448 0 90  TYR AAA OH  1 ? 
ATOM   807  N N   . PRO A 1 93  ? 3.068   6.157   4.821  1.000 15.247 0 91  PRO AAA N   1 ? 
ATOM   808  C CA  . PRO A 1 93  ? 3.650   7.301   5.539  1.000 15.548 0 91  PRO AAA CA  1 ? 
ATOM   809  C C   . PRO A 1 93  ? 4.126   8.430   4.617  1.000 16.599 0 91  PRO AAA C   1 ? 
ATOM   810  O O   . PRO A 1 93  ? 4.802   9.324   5.072  1.000 14.242 0 91  PRO AAA O   1 ? 
ATOM   811  C CB  . PRO A 1 93  ? 4.857   6.661   6.197  1.000 15.587 0 91  PRO AAA CB  1 ? 
ATOM   812  C CG  . PRO A 1 93  ? 5.371   5.712   5.133  1.000 15.994 0 91  PRO AAA CG  1 ? 
ATOM   813  C CD  . PRO A 1 93  ? 4.103   5.182   4.484  1.000 16.000 0 91  PRO AAA CD  1 ? 
ATOM   814  N N   . THR A 1 94  ? 3.786   8.360   3.326  1.000 17.671 0 92  THR AAA N   1 ? 
ATOM   815  C CA  . THR A 1 94  ? 4.147   9.433   2.361  1.000 18.616 0 92  THR AAA CA  1 ? 
ATOM   816  C C   . THR A 1 94  ? 3.347   10.674  2.774  1.000 18.405 0 92  THR AAA C   1 ? 
ATOM   817  O O   . THR A 1 94  ? 3.868   11.804  2.743  1.000 17.822 0 92  THR AAA O   1 ? 
ATOM   818  C CB  . THR A 1 94  ? 3.974   8.950   0.911  1.000 21.006 0 92  THR AAA CB  1 ? 
ATOM   819  O OG1 . THR A 1 94  ? 4.987   7.959   0.664  1.000 23.594 0 92  THR AAA OG1 1 ? 
ATOM   820  C CG2 . THR A 1 94  ? 4.079   10.087  -0.088 1.000 20.146 0 92  THR AAA CG2 1 ? 
ATOM   821  N N   . THR A 1 95  ? 2.114   10.475  3.192  1.000 18.740 0 93  THR AAA N   1 ? 
ATOM   822  C CA  . THR A 1 95  ? 1.247   11.553  3.683  1.000 18.511 0 93  THR AAA CA  1 ? 
ATOM   823  C C   . THR A 1 95  ? 1.348   11.593  5.204  1.000 19.514 0 93  THR AAA C   1 ? 
ATOM   824  O O   . THR A 1 95  ? 1.281   10.520  5.788  1.000 20.142 0 93  THR AAA O   1 ? 
ATOM   825  C CB  . THR A 1 95  ? -0.212  11.300  3.291  1.000 23.159 0 93  THR AAA CB  1 ? 
ATOM   826  O OG1 . THR A 1 95  ? -0.251  11.056  1.879  1.000 24.981 0 93  THR AAA OG1 1 ? 
ATOM   827  C CG2 . THR A 1 95  ? -1.096  12.455  3.693  1.000 22.766 0 93  THR AAA CG2 1 ? 
ATOM   828  N N   . ALA A 1 96  ? 1.477   12.777  5.794  1.000 18.421 0 94  ALA AAA N   1 ? 
ATOM   829  C CA  . ALA A 1 96  ? 1.576   12.939  7.260  1.000 18.706 0 94  ALA AAA CA  1 ? 
ATOM   830  C C   . ALA A 1 96  ? 0.174   12.983  7.868  1.000 18.554 0 94  ALA AAA C   1 ? 
ATOM   831  O O   . ALA A 1 96  ? -0.793  13.440  7.227  1.000 18.606 0 94  ALA AAA O   1 ? 
ATOM   832  C CB  . ALA A 1 96  ? 2.383   14.146  7.613  1.000 19.651 0 94  ALA AAA CB  1 ? 
ATOM   833  N N   . PRO A 1 97  ? 0.002   12.439  9.094  1.000 15.741 0 95  PRO AAA N   1 ? 
ATOM   834  C CA  . PRO A 1 97  ? -1.277  12.528  9.799  1.000 15.728 0 95  PRO AAA CA  1 ? 
ATOM   835  C C   . PRO A 1 97  ? -1.613  13.946  10.266 1.000 17.458 0 95  PRO AAA C   1 ? 
ATOM   836  O O   . PRO A 1 97  ? -0.689  14.707  10.521 1.000 19.972 0 95  PRO AAA O   1 ? 
ATOM   837  C CB  . PRO A 1 97  ? -1.098  11.619  11.027 1.000 14.923 0 95  PRO AAA CB  1 ? 
ATOM   838  C CG  . PRO A 1 97  ? 0.070   10.720  10.655 1.000 15.187 0 95  PRO AAA CG  1 ? 
ATOM   839  C CD  . PRO A 1 97  ? 0.975   11.621  9.823  1.000 14.711 0 95  PRO AAA CD  1 ? 
ATOM   840  N N   . GLU A 1 98  ? -2.904  14.234  10.396 1.000 17.923 0 96  GLU AAA N   1 ? 
ATOM   841  C CA  . GLU A 1 98  ? -3.461  15.506  10.927 1.000 20.142 0 96  GLU AAA CA  1 ? 
ATOM   842  C C   . GLU A 1 98  ? -3.698  15.388  12.437 1.000 20.598 0 96  GLU AAA C   1 ? 
ATOM   843  O O   . GLU A 1 98  ? -4.726  14.790  12.856 1.000 23.695 0 96  GLU AAA O   1 ? 
ATOM   844  C CB  . GLU A 1 98  ? -4.803  15.840  10.281 1.000 23.069 0 96  GLU AAA CB  1 ? 
ATOM   845  C CG  . GLU A 1 98  ? -4.771  16.047  8.784  1.000 26.380 0 96  GLU AAA CG  1 ? 
ATOM   846  C CD  . GLU A 1 98  ? -6.174  16.184  8.185  1.000 33.392 0 96  GLU AAA CD  1 ? 
ATOM   847  O OE1 . GLU A 1 98  ? -7.146  15.631  8.764  1.000 36.033 0 96  GLU AAA OE1 1 ? 
ATOM   848  O OE2 . GLU A 1 98  ? -6.305  16.845  7.144  1.000 40.546 0 96  GLU AAA OE2 1 ? 
ATOM   849  N N   . ILE A 1 99  ? -2.878  16.040  13.260 1.000 18.085 0 97  ILE AAA N   1 ? 
ATOM   850  C CA  . ILE A 1 99  ? -3.046  15.992  14.742 1.000 17.757 0 97  ILE AAA CA  1 ? 
ATOM   851  C C   . ILE A 1 99  ? -4.190  16.926  15.151 1.000 18.269 0 97  ILE AAA C   1 ? 
ATOM   852  O O   . ILE A 1 99  ? -4.172  18.091  14.748 1.000 18.027 0 97  ILE AAA O   1 ? 
ATOM   853  C CB  . ILE A 1 99  ? -1.758  16.363  15.489 1.000 20.584 0 97  ILE AAA CB  1 ? 
ATOM   854  C CG1 . ILE A 1 99  ? -0.589  15.469  15.082 1.000 23.069 0 97  ILE AAA CG1 1 ? 
ATOM   855  C CG2 . ILE A 1 99  ? -1.980  16.329  16.995 1.000 20.579 0 97  ILE AAA CG2 1 ? 
ATOM   856  C CD1 . ILE A 1 99  ? 0.503   15.345  16.149 1.000 25.207 0 97  ILE AAA CD1 1 ? 
ATOM   857  N N   . ALA A 1 100 ? -5.126  16.402  15.940 1.000 17.186 0 98  ALA AAA N   1 ? 
ATOM   858  C CA  . ALA A 1 100 ? -6.269  17.123  16.537 1.000 16.119 0 98  ALA AAA CA  1 ? 
ATOM   859  C C   . ALA A 1 100 ? -6.008  17.265  18.036 1.000 15.561 0 98  ALA AAA C   1 ? 
ATOM   860  O O   . ALA A 1 100 ? -5.593  16.298  18.686 1.000 14.398 0 98  ALA AAA O   1 ? 
ATOM   861  C CB  . ALA A 1 100 ? -7.548  16.375  16.265 1.000 17.992 0 98  ALA AAA CB  1 ? 
ATOM   862  N N   . VAL A 1 101 ? -6.262  18.455  18.550 1.000 15.234 0 99  VAL AAA N   1 ? 
ATOM   863  C CA  . VAL A 1 101 ? -6.343  18.756  19.995 1.000 14.998 0 99  VAL AAA CA  1 ? 
ATOM   864  C C   . VAL A 1 101 ? -7.753  19.275  20.201 1.000 16.371 0 99  VAL AAA C   1 ? 
ATOM   865  O O   . VAL A 1 101 ? -8.000  20.487  20.163 1.000 15.298 0 99  VAL AAA O   1 ? 
ATOM   866  C CB  . VAL A 1 101 ? -5.284  19.790  20.386 1.000 15.025 0 99  VAL AAA CB  1 ? 
ATOM   867  C CG1 . VAL A 1 101 ? -5.212  19.942  21.892 1.000 14.972 0 99  VAL AAA CG1 1 ? 
ATOM   868  C CG2 . VAL A 1 101 ? -3.922  19.429  19.795 1.000 15.901 0 99  VAL AAA CG2 1 ? 
ATOM   869  N N   . PRO A 1 102 ? -8.740  18.373  20.314 1.000 17.027 0 100 PRO AAA N   1 ? 
ATOM   870  C CA  . PRO A 1 102 ? -10.136 18.786  20.234 1.000 17.729 0 100 PRO AAA CA  1 ? 
ATOM   871  C C   . PRO A 1 102 ? -10.522 19.928  21.185 1.000 17.492 0 100 PRO AAA C   1 ? 
ATOM   872  O O   . PRO A 1 102 ? -11.356 20.704  20.802 1.000 16.629 0 100 PRO AAA O   1 ? 
ATOM   873  C CB  . PRO A 1 102 ? -10.889 17.492  20.574 1.000 17.640 0 100 PRO AAA CB  1 ? 
ATOM   874  C CG  . PRO A 1 102 ? -9.939  16.412  20.076 1.000 19.055 0 100 PRO AAA CG  1 ? 
ATOM   875  C CD  . PRO A 1 102 ? -8.573  16.919  20.474 1.000 17.232 0 100 PRO AAA CD  1 ? 
ATOM   876  N N   . GLU A 1 103 ? -9.987  19.984  22.403 1.000 17.185 0 101 GLU AAA N   1 ? 
ATOM   877  C CA  . GLU A 1 103 ? -10.409 21.053  23.348 1.000 19.104 0 101 GLU AAA CA  1 ? 
ATOM   878  C C   . GLU A 1 103 ? -10.008 22.422  22.798 1.000 18.970 0 101 GLU AAA C   1 ? 
ATOM   879  O O   . GLU A 1 103 ? -10.595 23.410  23.259 1.000 19.868 0 101 GLU AAA O   1 ? 
ATOM   880  C CB  . GLU A 1 103 ? -9.865  20.910  24.767 1.000 22.503 0 101 GLU AAA CB  1 ? 
ATOM   881  C CG  . GLU A 1 103 ? -8.439  20.461  24.868 1.000 26.141 0 101 GLU AAA CG  1 ? 
ATOM   882  C CD  . GLU A 1 103 ? -8.198  19.696  26.162 1.000 28.971 0 101 GLU AAA CD  1 ? 
ATOM   883  O OE1 . GLU A 1 103 ? -8.156  18.436  26.136 1.000 24.930 0 101 GLU AAA OE1 1 ? 
ATOM   884  O OE2 . GLU A 1 103 ? -8.105  20.384  27.199 1.000 34.800 0 101 GLU AAA OE2 1 ? 
ATOM   885  N N   . LEU A 1 104 ? -9.083  22.516  21.838 1.000 16.062 0 102 LEU AAA N   1 ? 
ATOM   886  C CA  . LEU A 1 104 ? -8.677  23.849  21.308 1.000 17.734 0 102 LEU AAA CA  1 ? 
ATOM   887  C C   . LEU A 1 104 ? -9.507  24.242  20.081 1.000 16.475 0 102 LEU AAA C   1 ? 
ATOM   888  O O   . LEU A 1 104 ? -9.209  25.300  19.475 1.000 18.169 0 102 LEU AAA O   1 ? 
ATOM   889  C CB  . LEU A 1 104 ? -7.174  23.831  21.028 1.000 19.270 0 102 LEU AAA CB  1 ? 
ATOM   890  C CG  . LEU A 1 104 ? -6.308  23.647  22.275 1.000 19.682 0 102 LEU AAA CG  1 ? 
ATOM   891  C CD1 . LEU A 1 104 ? -4.852  23.788  21.910 1.000 20.827 0 102 LEU AAA CD1 1 ? 
ATOM   892  C CD2 . LEU A 1 104 ? -6.666  24.619  23.395 1.000 21.610 0 102 LEU AAA CD2 1 ? 
ATOM   893  N N   . ASP A 1 105 ? -10.466 23.406  19.679 1.000 18.309 0 103 ASP AAA N   1 ? 
ATOM   894  C CA  . ASP A 1 105 ? -11.356 23.655  18.508 1.000 18.235 0 103 ASP AAA CA  1 ? 
ATOM   895  C C   . ASP A 1 105 ? -11.978 25.048  18.674 1.000 18.393 0 103 ASP AAA C   1 ? 
ATOM   896  O O   . ASP A 1 105 ? -12.552 25.290  19.733 1.000 17.075 0 103 ASP AAA O   1 ? 
ATOM   897  C CB  . ASP A 1 105 ? -12.423 22.567  18.387 1.000 18.683 0 103 ASP AAA CB  1 ? 
ATOM   898  C CG  . ASP A 1 105 ? -13.244 22.608  17.115 1.000 20.732 0 103 ASP AAA CG  1 ? 
ATOM   899  O OD1 . ASP A 1 105 ? -12.810 23.276  16.147 1.000 20.633 0 103 ASP AAA OD1 1 ? 
ATOM   900  O OD2 . ASP A 1 105 ? -14.326 21.950  17.098 1.000 21.237 0 103 ASP AAA OD2 1 ? 
ATOM   901  N N   . GLY A 1 106 ? -11.750 25.925  17.685 1.000 19.864 0 104 GLY AAA N   1 ? 
ATOM   902  C CA  . GLY A 1 106 ? -12.219 27.329  17.630 1.000 21.654 0 104 GLY AAA CA  1 ? 
ATOM   903  C C   . GLY A 1 106 ? -11.561 28.276  18.627 1.000 22.172 0 104 GLY AAA C   1 ? 
ATOM   904  O O   . GLY A 1 106 ? -12.072 29.434  18.781 1.000 20.920 0 104 GLY AAA O   1 ? 
ATOM   905  N N   . LYS A 1 107 ? -10.449 27.905  19.255 1.000 21.172 0 105 LYS AAA N   1 ? 
ATOM   906  C CA  . LYS A 1 107 ? -9.801  28.777  20.271 1.000 23.176 0 105 LYS AAA CA  1 ? 
ATOM   907  C C   . LYS A 1 107 ? -8.556  29.474  19.730 1.000 24.380 0 105 LYS AAA C   1 ? 
ATOM   908  O O   . LYS A 1 107 ? -8.077  30.336  20.433 1.000 24.767 0 105 LYS AAA O   1 ? 
ATOM   909  C CB  . LYS A 1 107 ? -9.441  27.983  21.521 1.000 25.199 0 105 LYS AAA CB  1 ? 
ATOM   910  C CG  . LYS A 1 107 ? -10.621 27.185  22.047 1.000 26.923 0 105 LYS AAA CG  1 ? 
ATOM   911  C CD  . LYS A 1 107 ? -10.652 26.977  23.512 1.000 27.363 0 105 LYS AAA CD  1 ? 
ATOM   912  C CE  . LYS A 1 107 ? -11.995 26.416  23.922 1.000 28.584 0 105 LYS AAA CE  1 ? 
ATOM   913  N NZ  . LYS A 1 107 ? -11.833 25.401  24.982 1.000 29.144 0 105 LYS AAA NZ  1 ? 
ATOM   914  N N   . THR A 1 108 ? -8.047  29.089  18.560 1.000 26.650 0 106 THR AAA N   1 ? 
ATOM   915  C CA  . THR A 1 108 ? -6.928  29.780  17.861 1.000 28.833 0 106 THR AAA CA  1 ? 
ATOM   916  C C   . THR A 1 108 ? -7.116  29.721  16.338 1.000 27.408 0 106 THR AAA C   1 ? 
ATOM   917  O O   . THR A 1 108 ? -7.668  28.746  15.833 1.000 26.300 0 106 THR AAA O   1 ? 
ATOM   918  C CB  . THR A 1 108 ? -5.584  29.168  18.271 1.000 31.556 0 106 THR AAA CB  1 ? 
ATOM   919  O OG1 . THR A 1 108 ? -4.561  29.796  17.496 1.000 31.808 0 106 THR AAA OG1 1 ? 
ATOM   920  C CG2 . THR A 1 108 ? -5.543  27.666  18.082 1.000 30.276 0 106 THR AAA CG2 1 ? 
ATOM   921  N N   . ALA A 1 109 ? -6.602  30.717  15.616 1.000 30.125 0 107 ALA AAA N   1 ? 
ATOM   922  C CA  . ALA A 1 109 ? -6.593  30.747  14.130 1.000 31.687 0 107 ALA AAA CA  1 ? 
ATOM   923  C C   . ALA A 1 109 ? -5.541  29.762  13.585 1.000 30.099 0 107 ALA AAA C   1 ? 
ATOM   924  O O   . ALA A 1 109 ? -5.541  29.536  12.388 1.000 31.416 0 107 ALA AAA O   1 ? 
ATOM   925  C CB  . ALA A 1 109 ? -6.339  32.157  13.635 1.000 31.316 0 107 ALA AAA CB  1 ? 
ATOM   926  N N   . LYS A 1 110 ? -4.658  29.218  14.428 1.000 29.384 0 108 LYS AAA N   1 ? 
ATOM   927  C CA  . LYS A 1 110 ? -3.554  28.303  14.011 1.000 32.214 0 108 LYS AAA CA  1 ? 
ATOM   928  C C   . LYS A 1 110 ? -4.085  26.863  13.930 1.000 32.564 0 108 LYS AAA C   1 ? 
ATOM   929  O O   . LYS A 1 110 ? -3.270  25.911  13.825 1.000 34.739 0 108 LYS AAA O   1 ? 
ATOM   930  C CB  . LYS A 1 110 ? -2.381  28.420  14.991 1.000 34.695 0 108 LYS AAA CB  1 ? 
ATOM   931  C CG  . LYS A 1 110 ? -1.199  29.293  14.560 1.000 35.638 0 108 LYS AAA CG  1 ? 
ATOM   932  C CD  . LYS A 1 110 ? -1.469  30.313  13.471 1.000 38.631 0 108 LYS AAA CD  1 ? 
ATOM   933  N N   . MET A 1 111 ? -5.402  26.697  13.975 1.000 29.805 0 109 MET AAA N   1 ? 
ATOM   934  C CA  . MET A 1 111 ? -6.073  25.379  13.870 1.000 30.561 0 109 MET AAA CA  1 ? 
ATOM   935  C C   . MET A 1 111 ? -7.252  25.484  12.902 1.000 31.023 0 109 MET AAA C   1 ? 
ATOM   936  O O   . MET A 1 111 ? -7.800  26.587  12.753 1.000 31.040 0 109 MET AAA O   1 ? 
ATOM   937  C CB  . MET A 1 111 ? -6.563  24.949  15.250 1.000 31.085 0 109 MET AAA CB  1 ? 
ATOM   938  C CG  . MET A 1 111 ? -5.442  24.429  16.105 1.000 32.170 0 109 MET AAA CG  1 ? 
ATOM   939  S SD  . MET A 1 111 ? -5.981  23.824  17.696 1.000 32.776 0 109 MET AAA SD  1 ? 
ATOM   940  C CE  . MET A 1 111 ? -7.744  23.711  17.434 1.000 37.301 0 109 MET AAA CE  1 ? 
ATOM   941  N N   . TYR A 1 112 ? -7.613  24.380  12.249 1.000 29.900 0 110 TYR AAA N   1 ? 
ATOM   942  C CA  . TYR A 1 112 ? -8.834  24.315  11.414 1.000 31.439 0 110 TYR AAA CA  1 ? 
ATOM   943  C C   . TYR A 1 112 ? -9.884  23.456  12.147 1.000 34.077 0 110 TYR AAA C   1 ? 
ATOM   944  O O   . TYR A 1 112 ? -9.593  22.917  13.240 1.000 30.471 0 110 TYR AAA O   1 ? 
ATOM   945  C CB  . TYR A 1 112 ? -8.465  23.933  9.979  1.000 34.411 0 110 TYR AAA CB  1 ? 
ATOM   946  C CG  . TYR A 1 112 ? -7.642  22.692  9.742  1.000 33.037 0 110 TYR AAA CG  1 ? 
ATOM   947  C CD1 . TYR A 1 112 ? -8.213  21.572  9.146  1.000 36.061 0 110 TYR AAA CD1 1 ? 
ATOM   948  C CD2 . TYR A 1 112 ? -6.274  22.665  9.986  1.000 33.983 0 110 TYR AAA CD2 1 ? 
ATOM   949  C CE1 . TYR A 1 112 ? -7.464  20.437  8.860  1.000 37.605 0 110 TYR AAA CE1 1 ? 
ATOM   950  C CE2 . TYR A 1 112 ? -5.513  21.533  9.727  1.000 34.750 0 110 TYR AAA CE2 1 ? 
ATOM   951  C CZ  . TYR A 1 112 ? -6.108  20.407  9.167  1.000 38.786 0 110 TYR AAA CZ  1 ? 
ATOM   952  O OH  . TYR A 1 112 ? -5.386  19.272  8.894  1.000 40.991 0 110 TYR AAA OH  1 ? 
ATOM   953  N N   . ARG A 1 113 ? -11.103 23.384  11.608 1.000 35.402 0 111 ARG AAA N   1 ? 
ATOM   954  C CA  . ARG A 1 113 ? -12.241 22.650  12.229 1.000 38.514 0 111 ARG AAA CA  1 ? 
ATOM   955  C C   . ARG A 1 113 ? -11.765 21.301  12.791 1.000 37.290 0 111 ARG AAA C   1 ? 
ATOM   956  O O   . ARG A 1 113 ? -10.935 20.618  12.124 1.000 33.145 0 111 ARG AAA O   1 ? 
ATOM   957  C CB  . ARG A 1 113 ? -13.359 22.460  11.200 1.000 45.139 0 111 ARG AAA CB  1 ? 
ATOM   958  C CG  . ARG A 1 113 ? -14.665 21.926  11.779 1.000 54.452 0 111 ARG AAA CG  1 ? 
ATOM   959  C CD  . ARG A 1 113 ? -15.770 21.747  10.741 1.000 61.518 0 111 ARG AAA CD  1 ? 
ATOM   960  N NE  . ARG A 1 113 ? -15.270 21.263  9.454  1.000 68.213 0 111 ARG AAA NE  1 ? 
ATOM   961  C CZ  . ARG A 1 113 ? -15.161 19.980  9.083  1.000 74.433 0 111 ARG AAA CZ  1 ? 
ATOM   962  N NH1 . ARG A 1 113 ? -15.529 18.999  9.893  1.000 76.531 0 111 ARG AAA NH1 1 ? 
ATOM   963  N NH2 . ARG A 1 113 ? -14.681 19.685  7.885  1.000 73.982 0 111 ARG AAA NH2 1 ? 
ATOM   964  N N   . GLY A 1 114 ? -12.276 20.940  13.977 1.000 31.171 0 112 GLY AAA N   1 ? 
ATOM   965  C CA  . GLY A 1 114 ? -11.970 19.683  14.689 1.000 30.409 0 112 GLY AAA CA  1 ? 
ATOM   966  C C   . GLY A 1 114 ? -10.791 19.867  15.618 1.000 28.351 0 112 GLY AAA C   1 ? 
ATOM   967  O O   . GLY A 1 114 ? -10.366 18.906  16.293 1.000 27.688 0 112 GLY AAA O   1 ? 
ATOM   968  N N   . GLY A 1 115 ? -10.242 21.067  15.649 1.000 25.653 0 113 GLY AAA N   1 ? 
ATOM   969  C CA  . GLY A 1 115 ? -9.036  21.304  16.439 1.000 27.303 0 113 GLY AAA CA  1 ? 
ATOM   970  C C   . GLY A 1 115 ? -7.835  20.627  15.804 1.000 26.669 0 113 GLY AAA C   1 ? 
ATOM   971  O O   . GLY A 1 115 ? -6.924  20.221  16.543 1.000 26.156 0 113 GLY AAA O   1 ? 
ATOM   972  N N   . LYS A 1 116 ? -7.817  20.544  14.471 1.000 25.675 0 114 LYS AAA N   1 ? 
ATOM   973  C CA  . LYS A 1 116 ? -6.638  20.030  13.737 1.000 25.825 0 114 LYS AAA CA  1 ? 
ATOM   974  C C   . LYS A 1 116 ? -5.618  21.160  13.613 1.000 25.607 0 114 LYS AAA C   1 ? 
ATOM   975  O O   . LYS A 1 116 ? -5.978  22.262  13.196 1.000 23.979 0 114 LYS AAA O   1 ? 
ATOM   976  C CB  . LYS A 1 116 ? -7.038  19.447  12.390 1.000 27.581 0 114 LYS AAA CB  1 ? 
ATOM   977  C CG  . LYS A 1 116 ? -7.830  18.161  12.485 1.000 29.881 0 114 LYS AAA CG  1 ? 
ATOM   978  C CD  . LYS A 1 116 ? -8.108  17.525  11.145 1.000 33.988 0 114 LYS AAA CD  1 ? 
ATOM   979  C CE  . LYS A 1 116 ? -9.255  16.532  11.185 1.000 38.458 0 114 LYS AAA CE  1 ? 
ATOM   980  N NZ  . LYS A 1 116 ? -9.413  15.922  12.532 1.000 42.203 0 114 LYS AAA NZ  1 ? 
ATOM   981  N N   . ILE A 1 117 ? -4.392  20.880  14.017 1.000 25.039 0 115 ILE AAA N   1 ? 
ATOM   982  C CA  . ILE A 1 117 ? -3.285  21.868  14.040 1.000 26.493 0 115 ILE AAA CA  1 ? 
ATOM   983  C C   . ILE A 1 117 ? -2.907  22.193  12.607 1.000 25.033 0 115 ILE AAA C   1 ? 
ATOM   984  O O   . ILE A 1 117 ? -2.818  21.259  11.809 1.000 22.816 0 115 ILE AAA O   1 ? 
ATOM   985  C CB  . ILE A 1 117 ? -2.074  21.272  14.756 1.000 29.249 0 115 ILE AAA CB  1 ? 
ATOM   986  C CG1 . ILE A 1 117 ? -2.321  21.203  16.256 1.000 30.574 0 115 ILE AAA CG1 1 ? 
ATOM   987  C CG2 . ILE A 1 117 ? -0.816  22.056  14.399 1.000 31.676 0 115 ILE AAA CG2 1 ? 
ATOM   988  C CD1 . ILE A 1 117 ? -1.162  20.616  17.004 1.000 34.940 0 115 ILE AAA CD1 1 ? 
ATOM   989  N N   A CYS A 1 118 ? -2.633  23.460  12.314 0.500 27.188 0 116 CYS AAA N   1 ? 
ATOM   990  N N   B CYS A 1 118 ? -2.659  23.471  12.292 0.500 26.005 0 116 CYS AAA N   1 ? 
ATOM   991  C CA  A CYS A 1 118 ? -2.124  23.872  10.987 0.500 29.610 0 116 CYS AAA CA  1 ? 
ATOM   992  C CA  B CYS A 1 118 ? -2.110  23.899  10.975 0.500 27.566 0 116 CYS AAA CA  1 ? 
ATOM   993  C C   A CYS A 1 118 ? -0.614  23.613  10.938 0.500 29.666 0 116 CYS AAA C   1 ? 
ATOM   994  C C   B CYS A 1 118 ? -0.608  23.601  10.954 0.500 28.452 0 116 CYS AAA C   1 ? 
ATOM   995  O O   A CYS A 1 118 ? 0.122   24.343  11.599 0.500 32.486 0 116 CYS AAA O   1 ? 
ATOM   996  O O   B CYS A 1 118 ? 0.130   24.292  11.653 0.500 31.051 0 116 CYS AAA O   1 ? 
ATOM   997  C CB  A CYS A 1 118 ? -2.474  25.320  10.678 0.500 32.951 0 116 CYS AAA CB  1 ? 
ATOM   998  C CB  B CYS A 1 118 ? -2.360  25.375  10.664 0.500 29.307 0 116 CYS AAA CB  1 ? 
ATOM   999  S SG  A CYS A 1 118 ? -1.991  25.765  8.995  0.500 39.439 0 116 CYS AAA SG  1 ? 
ATOM   1000 S SG  B CYS A 1 118 ? -4.101  25.796  10.391 0.500 31.517 0 116 CYS AAA SG  1 ? 
ATOM   1001 N N   . LEU A 1 119 ? -0.173  22.581  10.213 1.000 28.928 0 117 LEU AAA N   1 ? 
ATOM   1002 C CA  . LEU A 1 119 ? 1.276   22.251  10.116 1.000 33.704 0 117 LEU AAA CA  1 ? 
ATOM   1003 C C   . LEU A 1 119 ? 1.952   23.273  9.182  1.000 38.711 0 117 LEU AAA C   1 ? 
ATOM   1004 O O   . LEU A 1 119 ? 1.366   23.556  8.098  1.000 36.456 0 117 LEU AAA O   1 ? 
ATOM   1005 C CB  . LEU A 1 119 ? 1.441   20.805  9.650  1.000 35.754 0 117 LEU AAA CB  1 ? 
ATOM   1006 C CG  . LEU A 1 119 ? 0.980   19.751  10.658 1.000 35.277 0 117 LEU AAA CG  1 ? 
ATOM   1007 C CD1 . LEU A 1 119 ? 0.980   18.357  10.025 1.000 39.178 0 117 LEU AAA CD1 1 ? 
ATOM   1008 C CD2 . LEU A 1 119 ? 1.847   19.774  11.908 1.000 33.542 0 117 LEU AAA CD2 1 ? 
ATOM   1009 N N   . THR A 1 120 ? 3.102   23.844  9.596  1.000 37.112 0 118 THR AAA N   1 ? 
ATOM   1010 C CA  . THR A 1 120 ? 3.761   24.982  8.886  1.000 38.114 0 118 THR AAA CA  1 ? 
ATOM   1011 C C   . THR A 1 120 ? 3.931   24.622  7.414  1.000 37.586 0 118 THR AAA C   1 ? 
ATOM   1012 O O   . THR A 1 120 ? 3.958   23.417  7.065  1.000 37.979 0 118 THR AAA O   1 ? 
ATOM   1013 C CB  . THR A 1 120 ? 5.154   25.406  9.404  1.000 38.959 0 118 THR AAA CB  1 ? 
ATOM   1014 O OG1 . THR A 1 120 ? 6.172   24.545  8.883  1.000 36.494 0 118 THR AAA OG1 1 ? 
ATOM   1015 C CG2 . THR A 1 120 ? 5.251   25.480  10.912 1.000 41.483 0 118 THR AAA CG2 1 ? 
ATOM   1016 N N   . ASP A 1 121 ? 4.120   25.628  6.577  1.000 33.120 0 119 ASP AAA N   1 ? 
ATOM   1017 C CA  . ASP A 1 121 ? 4.556   25.366  5.184  1.000 35.095 0 119 ASP AAA CA  1 ? 
ATOM   1018 C C   . ASP A 1 121 ? 5.986   24.814  5.190  1.000 35.109 0 119 ASP AAA C   1 ? 
ATOM   1019 O O   . ASP A 1 121 ? 6.505   24.557  4.080  1.000 35.167 0 119 ASP AAA O   1 ? 
ATOM   1020 C CB  . ASP A 1 121 ? 4.447   26.617  4.316  1.000 34.298 0 119 ASP AAA CB  1 ? 
ATOM   1021 C CG  . ASP A 1 121 ? 3.030   26.875  3.858  1.000 36.466 0 119 ASP AAA CG  1 ? 
ATOM   1022 O OD1 . ASP A 1 121 ? 2.099   26.223  4.411  1.000 33.829 0 119 ASP AAA OD1 1 ? 
ATOM   1023 O OD2 . ASP A 1 121 ? 2.873   27.684  2.927  1.000 32.663 0 119 ASP AAA OD2 1 ? 
ATOM   1024 N N   . HIS A 1 122 ? 6.619   24.682  6.362  1.000 32.792 0 120 HIS AAA N   1 ? 
ATOM   1025 C CA  . HIS A 1 122 ? 7.963   24.058  6.489  1.000 36.808 0 120 HIS AAA CA  1 ? 
ATOM   1026 C C   . HIS A 1 122 ? 7.871   22.607  7.003  1.000 29.834 0 120 HIS AAA C   1 ? 
ATOM   1027 O O   . HIS A 1 122 ? 8.652   21.820  6.470  1.000 28.283 0 120 HIS AAA O   1 ? 
ATOM   1028 C CB  . HIS A 1 122 ? 8.926   24.967  7.275  1.000 40.973 0 120 HIS AAA CB  1 ? 
ATOM   1029 C CG  . HIS A 1 122 ? 9.363   26.157  6.477  1.000 44.443 0 120 HIS AAA CG  1 ? 
ATOM   1030 N ND1 . HIS A 1 122 ? 8.516   27.239  6.241  1.000 48.541 0 120 HIS AAA ND1 1 ? 
ATOM   1031 C CD2 . HIS A 1 122 ? 10.519  26.433  5.832  1.000 45.910 0 120 HIS AAA CD2 1 ? 
ATOM   1032 C CE1 . HIS A 1 122 ? 9.145   28.127  5.501  1.000 48.514 0 120 HIS AAA CE1 1 ? 
ATOM   1033 N NE2 . HIS A 1 122 ? 10.381  27.665  5.245  1.000 46.197 0 120 HIS AAA NE2 1 ? 
ATOM   1034 N N   . PHE A 1 123 ? 6.962   22.261  7.930  1.000 28.572 0 121 PHE AAA N   1 ? 
ATOM   1035 C CA  . PHE A 1 123 ? 6.826   20.886  8.495  1.000 25.734 0 121 PHE AAA CA  1 ? 
ATOM   1036 C C   . PHE A 1 123 ? 6.451   19.904  7.375  1.000 24.080 0 121 PHE AAA C   1 ? 
ATOM   1037 O O   . PHE A 1 123 ? 7.070   18.836  7.255  1.000 21.710 0 121 PHE AAA O   1 ? 
ATOM   1038 C CB  . PHE A 1 123 ? 5.770   20.750  9.598  1.000 25.074 0 121 PHE AAA CB  1 ? 
ATOM   1039 C CG  . PHE A 1 123 ? 5.516   19.314  10.003 1.000 24.560 0 121 PHE AAA CG  1 ? 
ATOM   1040 C CD1 . PHE A 1 123 ? 6.309   18.698  10.959 1.000 25.935 0 121 PHE AAA CD1 1 ? 
ATOM   1041 C CD2 . PHE A 1 123 ? 4.580   18.526  9.342  1.000 26.905 0 121 PHE AAA CD2 1 ? 
ATOM   1042 C CE1 . PHE A 1 123 ? 6.138   17.367  11.288 1.000 23.508 0 121 PHE AAA CE1 1 ? 
ATOM   1043 C CE2 . PHE A 1 123 ? 4.397   17.192  9.682  1.000 25.091 0 121 PHE AAA CE2 1 ? 
ATOM   1044 C CZ  . PHE A 1 123 ? 5.187   16.608  10.649 1.000 26.413 0 121 PHE AAA CZ  1 ? 
ATOM   1045 N N   . LYS A 1 124 ? 5.439   20.237  6.577  1.000 23.927 0 122 LYS AAA N   1 ? 
ATOM   1046 C CA  . LYS A 1 124 ? 4.978   19.323  5.501  1.000 21.678 0 122 LYS AAA CA  1 ? 
ATOM   1047 C C   . LYS A 1 124 ? 6.091   19.032  4.500  1.000 20.119 0 122 LYS AAA C   1 ? 
ATOM   1048 O O   . LYS A 1 124 ? 6.343   17.864  4.251  1.000 17.045 0 122 LYS AAA O   1 ? 
ATOM   1049 C CB  . LYS A 1 124 ? 3.686   19.822  4.871  1.000 21.835 0 122 LYS AAA CB  1 ? 
ATOM   1050 C CG  . LYS A 1 124 ? 2.479   19.525  5.735  1.000 23.133 0 122 LYS AAA CG  1 ? 
ATOM   1051 C CD  . LYS A 1 124 ? 1.165   19.742  5.030  1.000 24.899 0 122 LYS AAA CD  1 ? 
ATOM   1052 C CE  . LYS A 1 124 ? -0.007  19.160  5.782  1.000 26.224 0 122 LYS AAA CE  1 ? 
ATOM   1053 N NZ  . LYS A 1 124 ? -1.278  19.409  5.057  1.000 26.537 0 122 LYS AAA NZ  1 ? 
ATOM   1054 N N   . PRO A 1 125 ? 6.783   20.016  3.866  1.000 20.343 0 123 PRO AAA N   1 ? 
ATOM   1055 C CA  . PRO A 1 125 ? 7.860   19.679  2.930  1.000 21.109 0 123 PRO AAA CA  1 ? 
ATOM   1056 C C   . PRO A 1 125 ? 9.028   18.922  3.598  1.000 19.088 0 123 PRO AAA C   1 ? 
ATOM   1057 O O   . PRO A 1 125 ? 9.652   18.107  2.939  1.000 18.720 0 123 PRO AAA O   1 ? 
ATOM   1058 C CB  . PRO A 1 125 ? 8.317   21.016  2.343  1.000 23.239 0 123 PRO AAA CB  1 ? 
ATOM   1059 C CG  . PRO A 1 125 ? 7.144   21.946  2.625  1.000 23.598 0 123 PRO AAA CG  1 ? 
ATOM   1060 C CD  . PRO A 1 125 ? 6.533   21.460  3.925  1.000 23.943 0 123 PRO AAA CD  1 ? 
ATOM   1061 N N   . LEU A 1 126 ? 9.272   19.185  4.876  1.000 18.284 0 124 LEU AAA N   1 ? 
ATOM   1062 C CA  . LEU A 1 126 ? 10.284  18.453  5.688  1.000 17.521 0 124 LEU AAA CA  1 ? 
ATOM   1063 C C   . LEU A 1 126 ? 9.877   16.978  5.815  1.000 14.835 0 124 LEU AAA C   1 ? 
ATOM   1064 O O   . LEU A 1 126 ? 10.694  16.092  5.539  1.000 14.037 0 124 LEU AAA O   1 ? 
ATOM   1065 C CB  . LEU A 1 126 ? 10.361  19.125  7.052  1.000 19.444 0 124 LEU AAA CB  1 ? 
ATOM   1066 C CG  . LEU A 1 126 ? 11.306  18.493  8.067  1.000 21.764 0 124 LEU AAA CG  1 ? 
ATOM   1067 C CD1 . LEU A 1 126 ? 12.697  18.306  7.475  1.000 22.787 0 124 LEU AAA CD1 1 ? 
ATOM   1068 C CD2 . LEU A 1 126 ? 11.349  19.347  9.322  1.000 23.715 0 124 LEU AAA CD2 1 ? 
ATOM   1069 N N   . TRP A 1 127 ? 8.645   16.715  6.196  1.000 13.084 0 125 TRP AAA N   1 ? 
ATOM   1070 C CA  . TRP A 1 127 ? 8.116   15.326  6.172  1.000 13.271 0 125 TRP AAA CA  1 ? 
ATOM   1071 C C   . TRP A 1 127 ? 8.304   14.762  4.766  1.000 13.313 0 125 TRP AAA C   1 ? 
ATOM   1072 O O   . TRP A 1 127 ? 8.876   13.654  4.626  1.000 12.419 0 125 TRP AAA O   1 ? 
ATOM   1073 C CB  . TRP A 1 127 ? 6.659   15.327  6.623  1.000 13.755 0 125 TRP AAA CB  1 ? 
ATOM   1074 C CG  . TRP A 1 127 ? 6.058   13.964  6.663  1.000 12.519 0 125 TRP AAA CG  1 ? 
ATOM   1075 C CD1 . TRP A 1 127 ? 5.543   13.284  5.601  1.000 12.131 0 125 TRP AAA CD1 1 ? 
ATOM   1076 C CD2 . TRP A 1 127 ? 5.899   13.121  7.813  1.000 12.732 0 125 TRP AAA CD2 1 ? 
ATOM   1077 N NE1 . TRP A 1 127 ? 5.055   12.076  6.015  1.000 12.272 0 125 TRP AAA NE1 1 ? 
ATOM   1078 C CE2 . TRP A 1 127 ? 5.245   11.955  7.367  1.000 12.182 0 125 TRP AAA CE2 1 ? 
ATOM   1079 C CE3 . TRP A 1 127 ? 6.195   13.254  9.180  1.000 12.412 0 125 TRP AAA CE3 1 ? 
ATOM   1080 C CZ2 . TRP A 1 127 ? 4.929   10.904  8.226  1.000 12.363 0 125 TRP AAA CZ2 1 ? 
ATOM   1081 C CZ3 . TRP A 1 127 ? 5.875   12.213  10.025 1.000 12.116 0 125 TRP AAA CZ3 1 ? 
ATOM   1082 C CH2 . TRP A 1 127 ? 5.281   11.044  9.551  1.000 12.275 0 125 TRP AAA CH2 1 ? 
ATOM   1083 N N   . ALA A 1 128 ? 7.858   15.496  3.740  1.000 13.756 0 126 ALA AAA N   1 ? 
ATOM   1084 C CA  . ALA A 1 128 ? 7.858   14.991  2.342  1.000 15.461 0 126 ALA AAA CA  1 ? 
ATOM   1085 C C   . ALA A 1 128 ? 9.296   14.624  1.943  1.000 16.066 0 126 ALA AAA C   1 ? 
ATOM   1086 O O   . ALA A 1 128 ? 9.488   13.525  1.382  1.000 17.296 0 126 ALA AAA O   1 ? 
ATOM   1087 C CB  . ALA A 1 128 ? 7.232   15.997  1.390  1.000 15.506 0 126 ALA AAA CB  1 ? 
ATOM   1088 N N   . ARG A 1 129 ? 10.267  15.469  2.296  1.000 20.049 0 127 ARG AAA N   1 ? 
ATOM   1089 C CA  . ARG A 1 129 ? 11.697  15.273  1.927  1.000 21.803 0 127 ARG AAA CA  1 ? 
ATOM   1090 C C   . ARG A 1 129 ? 12.268  14.033  2.610  1.000 20.798 0 127 ARG AAA C   1 ? 
ATOM   1091 O O   . ARG A 1 129 ? 13.279  13.518  2.107  1.000 20.722 0 127 ARG AAA O   1 ? 
ATOM   1092 C CB  . ARG A 1 129 ? 12.521  16.492  2.317  1.000 27.468 0 127 ARG AAA CB  1 ? 
ATOM   1093 C CG  . ARG A 1 129 ? 12.459  17.591  1.265  1.000 34.604 0 127 ARG AAA CG  1 ? 
ATOM   1094 C CD  . ARG A 1 129 ? 13.396  18.737  1.580  1.000 40.545 0 127 ARG AAA CD  1 ? 
ATOM   1095 N NE  . ARG A 1 129 ? 13.154  19.209  2.936  1.000 46.187 0 127 ARG AAA NE  1 ? 
ATOM   1096 C CZ  . ARG A 1 129 ? 13.783  20.217  3.519  1.000 55.647 0 127 ARG AAA CZ  1 ? 
ATOM   1097 N NH1 . ARG A 1 129 ? 14.732  20.880  2.873  1.000 62.523 0 127 ARG AAA NH1 1 ? 
ATOM   1098 N NH2 . ARG A 1 129 ? 13.461  20.553  4.759  1.000 55.805 0 127 ARG AAA NH2 1 ? 
ATOM   1099 N N   . ASN A 1 130 ? 11.677  13.606  3.727  1.000 15.320 0 128 ASN AAA N   1 ? 
ATOM   1100 C CA  . ASN A 1 130 ? 12.247  12.512  4.557  1.000 14.294 0 128 ASN AAA CA  1 ? 
ATOM   1101 C C   . ASN A 1 130 ? 11.510  11.193  4.357  1.000 13.630 0 128 ASN AAA C   1 ? 
ATOM   1102 O O   . ASN A 1 130 ? 12.034  10.201  4.828  1.000 13.088 0 128 ASN AAA O   1 ? 
ATOM   1103 C CB  . ASN A 1 130 ? 12.334  12.946  6.018  1.000 13.758 0 128 ASN AAA CB  1 ? 
ATOM   1104 C CG  . ASN A 1 130 ? 13.522  13.840  6.266  1.000 14.037 0 128 ASN AAA CG  1 ? 
ATOM   1105 O OD1 . ASN A 1 130 ? 14.671  13.395  6.312  1.000 16.345 0 128 ASN AAA OD1 1 ? 
ATOM   1106 N ND2 . ASN A 1 130 ? 13.275  15.125  6.372  1.000 12.758 0 128 ASN AAA ND2 1 ? 
ATOM   1107 N N   . VAL A 1 131 ? 10.389  11.158  3.636  1.000 14.146 0 129 VAL AAA N   1 ? 
ATOM   1108 C CA  . VAL A 1 131 ? 9.585   9.913   3.430  1.000 15.076 0 129 VAL AAA CA  1 ? 
ATOM   1109 C C   . VAL A 1 131 ? 10.499  8.771   2.978  1.000 16.490 0 129 VAL AAA C   1 ? 
ATOM   1110 O O   . VAL A 1 131 ? 11.303  8.949   2.046  1.000 16.095 0 129 VAL AAA O   1 ? 
ATOM   1111 C CB  . VAL A 1 131 ? 8.420   10.122  2.445  1.000 15.358 0 129 VAL AAA CB  1 ? 
ATOM   1112 C CG1 . VAL A 1 131 ? 7.772   8.789   2.061  1.000 17.194 0 129 VAL AAA CG1 1 ? 
ATOM   1113 C CG2 . VAL A 1 131 ? 7.373   11.056  3.038  1.000 14.157 0 129 VAL AAA CG2 1 ? 
ATOM   1114 N N   . PRO A 1 132 ? 10.423  7.563   3.591  1.000 15.374 0 130 PRO AAA N   1 ? 
ATOM   1115 C CA  . PRO A 1 132 ? 9.512   7.225   4.693  1.000 13.973 0 130 PRO AAA CA  1 ? 
ATOM   1116 C C   . PRO A 1 132 ? 10.166  7.156   6.080  1.000 14.153 0 130 PRO AAA C   1 ? 
ATOM   1117 O O   . PRO A 1 132 ? 9.693   6.457   6.959  1.000 12.224 0 130 PRO AAA O   1 ? 
ATOM   1118 C CB  . PRO A 1 132 ? 9.121   5.818   4.252  1.000 14.911 0 130 PRO AAA CB  1 ? 
ATOM   1119 C CG  . PRO A 1 132 ? 10.468  5.236   3.824  1.000 14.809 0 130 PRO AAA CG  1 ? 
ATOM   1120 C CD  . PRO A 1 132 ? 11.217  6.392   3.183  1.000 15.051 0 130 PRO AAA CD  1 ? 
ATOM   1121 N N   . LYS A 1 133 ? 11.224  7.932   6.282  1.000 13.619 0 131 LYS AAA N   1 ? 
ATOM   1122 C CA  . LYS A 1 133 ? 12.087  7.801   7.472  1.000 13.207 0 131 LYS AAA CA  1 ? 
ATOM   1123 C C   . LYS A 1 133 ? 11.385  8.387   8.698  1.000 12.784 0 131 LYS AAA C   1 ? 
ATOM   1124 O O   . LYS A 1 133 ? 11.671  7.914   9.787  1.000 12.899 0 131 LYS AAA O   1 ? 
ATOM   1125 C CB  . LYS A 1 133 ? 13.416  8.476   7.167  1.000 14.728 0 131 LYS AAA CB  1 ? 
ATOM   1126 C CG  . LYS A 1 133 ? 14.196  7.768   6.076  1.000 15.816 0 131 LYS AAA CG  1 ? 
ATOM   1127 C CD  . LYS A 1 133 ? 15.542  8.309   5.848  1.000 18.268 0 131 LYS AAA CD  1 ? 
ATOM   1128 C CE  . LYS A 1 133 ? 15.552  9.666   5.195  1.000 20.235 0 131 LYS AAA CE  1 ? 
ATOM   1129 N NZ  . LYS A 1 133 ? 16.959  10.012  4.848  1.000 19.808 0 131 LYS AAA NZ  1 ? 
ATOM   1130 N N   . PHE A 1 134 ? 10.543  9.413   8.541  1.000 11.782 0 132 PHE AAA N   1 ? 
ATOM   1131 C CA  . PHE A 1 134 ? 9.861   10.029  9.712  1.000 12.111 0 132 PHE AAA CA  1 ? 
ATOM   1132 C C   . PHE A 1 134 ? 8.569   9.279   9.998  1.000 11.333 0 132 PHE AAA C   1 ? 
ATOM   1133 O O   . PHE A 1 134 ? 7.880   8.781   9.062  1.000 10.932 0 132 PHE AAA O   1 ? 
ATOM   1134 C CB  . PHE A 1 134 ? 9.544   11.504  9.482  1.000 12.330 0 132 PHE AAA CB  1 ? 
ATOM   1135 C CG  . PHE A 1 134 ? 10.730  12.422  9.584  1.000 13.117 0 132 PHE AAA CG  1 ? 
ATOM   1136 C CD1 . PHE A 1 134 ? 12.017  11.931  9.729  1.000 14.000 0 132 PHE AAA CD1 1 ? 
ATOM   1137 C CD2 . PHE A 1 134 ? 10.545  13.790  9.468  1.000 14.579 0 132 PHE AAA CD2 1 ? 
ATOM   1138 C CE1 . PHE A 1 134 ? 13.110  12.794  9.777  1.000 15.562 0 132 PHE AAA CE1 1 ? 
ATOM   1139 C CE2 . PHE A 1 134 ? 11.634  14.642  9.480  1.000 14.916 0 132 PHE AAA CE2 1 ? 
ATOM   1140 C CZ  . PHE A 1 134 ? 12.905  14.150  9.663  1.000 15.500 0 132 PHE AAA CZ  1 ? 
ATOM   1141 N N   . GLY A 1 135 ? 8.216   9.205   11.274 1.000 11.327 0 133 GLY AAA N   1 ? 
ATOM   1142 C CA  . GLY A 1 135 ? 6.950   8.592   11.705 1.000 10.662 0 133 GLY AAA CA  1 ? 
ATOM   1143 C C   . GLY A 1 135 ? 6.297   9.390   12.809 1.000 10.719 0 133 GLY AAA C   1 ? 
ATOM   1144 O O   . GLY A 1 135 ? 6.511   10.621  12.906 1.000 10.453 0 133 GLY AAA O   1 ? 
ATOM   1145 N N   . LEU A 1 136 ? 5.479   8.728   13.615 1.000 9.624  0 134 LEU AAA N   1 ? 
ATOM   1146 C CA  . LEU A 1 136 ? 4.654   9.432   14.621 1.000 10.247 0 134 LEU AAA CA  1 ? 
ATOM   1147 C C   . LEU A 1 136 ? 5.548   10.110  15.664 1.000 9.523  0 134 LEU AAA C   1 ? 
ATOM   1148 O O   . LEU A 1 136 ? 5.169   11.189  16.115 1.000 9.680  0 134 LEU AAA O   1 ? 
ATOM   1149 C CB  . LEU A 1 136 ? 3.707   8.413   15.264 1.000 10.360 0 134 LEU AAA CB  1 ? 
ATOM   1150 C CG  . LEU A 1 136 ? 2.742   7.733   14.294 1.000 10.994 0 134 LEU AAA CG  1 ? 
ATOM   1151 C CD1 . LEU A 1 136 ? 1.782   6.794   15.047 1.000 11.080 0 134 LEU AAA CD1 1 ? 
ATOM   1152 C CD2 . LEU A 1 136 ? 1.964   8.757   13.453 1.000 11.185 0 134 LEU AAA CD2 1 ? 
ATOM   1153 N N   . ALA A 1 137 ? 6.673   9.522   16.044 1.000 9.415  0 135 ALA AAA N   1 ? 
ATOM   1154 C CA  . ALA A 1 137 ? 7.604   10.204  16.989 1.000 9.838  0 135 ALA AAA CA  1 ? 
ATOM   1155 C C   . ALA A 1 137 ? 8.002   11.566  16.426 1.000 9.419  0 135 ALA AAA C   1 ? 
ATOM   1156 O O   . ALA A 1 137 ? 8.017   12.533  17.188 1.000 8.966  0 135 ALA AAA O   1 ? 
ATOM   1157 C CB  . ALA A 1 137 ? 8.822   9.377   17.314 1.000 10.003 0 135 ALA AAA CB  1 ? 
ATOM   1158 N N   . HIS A 1 138 ? 8.349   11.624  15.144 1.000 9.961  0 136 HIS AAA N   1 ? 
ATOM   1159 C CA  . HIS A 1 138 ? 8.732   12.871  14.429 1.000 9.975  0 136 HIS AAA CA  1 ? 
ATOM   1160 C C   . HIS A 1 138 ? 7.538   13.828  14.326 1.000 10.183 0 136 HIS AAA C   1 ? 
ATOM   1161 O O   . HIS A 1 138 ? 7.735   15.055  14.467 1.000 9.805  0 136 HIS AAA O   1 ? 
ATOM   1162 C CB  . HIS A 1 138 ? 9.311   12.520  13.050 1.000 9.703  0 136 HIS AAA CB  1 ? 
ATOM   1163 C CG  . HIS A 1 138 ? 10.477  11.594  13.092 1.000 9.846  0 136 HIS AAA CG  1 ? 
ATOM   1164 N ND1 . HIS A 1 138 ? 10.313  10.245  13.090 1.000 9.789  0 136 HIS AAA ND1 1 ? 
ATOM   1165 C CD2 . HIS A 1 138 ? 11.806  11.823  13.155 1.000 9.482  0 136 HIS AAA CD2 1 ? 
ATOM   1166 C CE1 . HIS A 1 138 ? 11.485  9.656   13.155 1.000 10.287 0 136 HIS AAA CE1 1 ? 
ATOM   1167 N NE2 . HIS A 1 138 ? 12.436  10.609  13.167 1.000 9.739  0 136 HIS AAA NE2 1 ? 
ATOM   1168 N N   . LEU A 1 139 ? 6.327   13.314  14.077 1.000 10.031 0 137 LEU AAA N   1 ? 
ATOM   1169 C CA  . LEU A 1 139 ? 5.103   14.146  14.054 1.000 10.121 0 137 LEU AAA CA  1 ? 
ATOM   1170 C C   . LEU A 1 139 ? 4.950   14.880  15.388 1.000 9.692  0 137 LEU AAA C   1 ? 
ATOM   1171 O O   . LEU A 1 139 ? 4.661   16.087  15.382 1.000 9.541  0 137 LEU AAA O   1 ? 
ATOM   1172 C CB  . LEU A 1 139 ? 3.916   13.232  13.796 1.000 12.137 0 137 LEU AAA CB  1 ? 
ATOM   1173 C CG  . LEU A 1 139 ? 2.566   13.928  13.746 1.000 12.406 0 137 LEU AAA CG  1 ? 
ATOM   1174 C CD1 . LEU A 1 139 ? 2.469   14.829  12.541 1.000 13.740 0 137 LEU AAA CD1 1 ? 
ATOM   1175 C CD2 . LEU A 1 139 ? 1.436   12.923  13.739 1.000 13.037 0 137 LEU AAA CD2 1 ? 
ATOM   1176 N N   . MET A 1 140 ? 5.172   14.159  16.490 1.000 9.346  0 138 MET AAA N   1 ? 
ATOM   1177 C CA  . MET A 1 140 ? 5.117   14.735  17.856 1.000 9.199  0 138 MET AAA CA  1 ? 
ATOM   1178 C C   . MET A 1 140 ? 6.274   15.729  18.014 1.000 9.305  0 138 MET AAA C   1 ? 
ATOM   1179 O O   . MET A 1 140 ? 5.982   16.865  18.428 1.000 8.887  0 138 MET AAA O   1 ? 
ATOM   1180 C CB  . MET A 1 140 ? 5.171   13.644  18.926 1.000 9.745  0 138 MET AAA CB  1 ? 
ATOM   1181 C CG  . MET A 1 140 ? 4.015   12.688  18.874 1.000 10.676 0 138 MET AAA CG  1 ? 
ATOM   1182 S SD  . MET A 1 140 ? 2.398   13.495  19.184 1.000 11.326 0 138 MET AAA SD  1 ? 
ATOM   1183 C CE  . MET A 1 140 ? 2.514   13.758  20.947 1.000 12.588 0 138 MET AAA CE  1 ? 
ATOM   1184 N N   . ALA A 1 141 ? 7.522   15.335  17.711 1.000 9.025  0 139 ALA AAA N   1 ? 
ATOM   1185 C CA  . ALA A 1 141 ? 8.730   16.150  17.981 1.000 9.138  0 139 ALA AAA CA  1 ? 
ATOM   1186 C C   . ALA A 1 141 ? 8.756   17.415  17.114 1.000 9.124  0 139 ALA AAA C   1 ? 
ATOM   1187 O O   . ALA A 1 141 ? 9.146   18.474  17.613 1.000 8.769  0 139 ALA AAA O   1 ? 
ATOM   1188 C CB  . ALA A 1 141 ? 9.986   15.340  17.778 1.000 9.696  0 139 ALA AAA CB  1 ? 
ATOM   1189 N N   . LEU A 1 142 ? 8.381   17.301  15.844 1.000 9.142  0 140 LEU AAA N   1 ? 
ATOM   1190 C CA  . LEU A 1 142 ? 8.498   18.409  14.865 1.000 9.687  0 140 LEU AAA CA  1 ? 
ATOM   1191 C C   . LEU A 1 142 ? 7.152   19.080  14.585 1.000 9.060  0 140 LEU AAA C   1 ? 
ATOM   1192 O O   . LEU A 1 142 ? 7.199   20.196  14.070 1.000 9.260  0 140 LEU AAA O   1 ? 
ATOM   1193 C CB  . LEU A 1 142 ? 9.081   17.863  13.577 1.000 10.169 0 140 LEU AAA CB  1 ? 
ATOM   1194 C CG  . LEU A 1 142 ? 10.506  17.348  13.674 1.000 11.214 0 140 LEU AAA CG  1 ? 
ATOM   1195 C CD1 . LEU A 1 142 ? 10.881  16.646  12.394 1.000 12.013 0 140 LEU AAA CD1 1 ? 
ATOM   1196 C CD2 . LEU A 1 142 ? 11.458  18.496  13.982 1.000 12.052 0 140 LEU AAA CD2 1 ? 
ATOM   1197 N N   . GLY A 1 143 ? 6.017   18.425  14.853 1.000 8.807  0 141 GLY AAA N   1 ? 
ATOM   1198 C CA  . GLY A 1 143 ? 4.705   19.002  14.532 1.000 9.447  0 141 GLY AAA CA  1 ? 
ATOM   1199 C C   . GLY A 1 143 ? 4.008   19.571  15.744 1.000 9.879  0 141 GLY AAA C   1 ? 
ATOM   1200 O O   . GLY A 1 143 ? 3.810   20.812  15.811 1.000 11.865 0 141 GLY AAA O   1 ? 
ATOM   1201 N N   . LEU A 1 144 ? 3.629   18.709  16.677 1.000 10.137 0 142 LEU AAA N   1 ? 
ATOM   1202 C CA  . LEU A 1 144 ? 2.856   19.140  17.860 1.000 10.445 0 142 LEU AAA CA  1 ? 
ATOM   1203 C C   . LEU A 1 144 ? 3.736   19.952  18.804 1.000 10.630 0 142 LEU AAA C   1 ? 
ATOM   1204 O O   . LEU A 1 144 ? 3.258   20.959  19.329 1.000 10.510 0 142 LEU AAA O   1 ? 
ATOM   1205 C CB  . LEU A 1 144 ? 2.274   17.922  18.565 1.000 10.230 0 142 LEU AAA CB  1 ? 
ATOM   1206 C CG  . LEU A 1 144 ? 1.465   18.224  19.811 1.000 10.230 0 142 LEU AAA CG  1 ? 
ATOM   1207 C CD1 . LEU A 1 144 ? 0.332   19.200  19.518 1.000 10.594 0 142 LEU AAA CD1 1 ? 
ATOM   1208 C CD2 . LEU A 1 144 ? 0.898   16.933  20.391 1.000 10.448 0 142 LEU AAA CD2 1 ? 
ATOM   1209 N N   . GLY A 1 145 ? 4.973   19.530  19.042 1.000 10.890 0 143 GLY AAA N   1 ? 
ATOM   1210 C CA  . GLY A 1 145 ? 5.836   20.173  20.046 1.000 11.456 0 143 GLY AAA CA  1 ? 
ATOM   1211 C C   . GLY A 1 145 ? 5.984   21.669  19.793 1.000 12.493 0 143 GLY AAA C   1 ? 
ATOM   1212 O O   . GLY A 1 145 ? 5.727   22.470  20.698 1.000 10.611 0 143 GLY AAA O   1 ? 
ATOM   1213 N N   . PRO A 1 146 ? 6.418   22.074  18.573 1.000 13.064 0 144 PRO AAA N   1 ? 
ATOM   1214 C CA  . PRO A 1 146 ? 6.610   23.490  18.260 1.000 13.948 0 144 PRO AAA CA  1 ? 
ATOM   1215 C C   . PRO A 1 146 ? 5.275   24.244  18.292 1.000 14.156 0 144 PRO AAA C   1 ? 
ATOM   1216 O O   . PRO A 1 146 ? 5.242   25.410  18.692 1.000 14.198 0 144 PRO AAA O   1 ? 
ATOM   1217 C CB  . PRO A 1 146 ? 7.274   23.453  16.877 1.000 14.232 0 144 PRO AAA CB  1 ? 
ATOM   1218 C CG  . PRO A 1 146 ? 7.915   22.087  16.819 1.000 14.458 0 144 PRO AAA CG  1 ? 
ATOM   1219 C CD  . PRO A 1 146 ? 6.897   21.189  17.490 1.000 13.368 0 144 PRO AAA CD  1 ? 
ATOM   1220 N N   . PHE A 1 147 ? 4.187   23.576  17.904 1.000 13.430 0 145 PHE AAA N   1 ? 
ATOM   1221 C CA  . PHE A 1 147 ? 2.829   24.168  17.989 1.000 14.614 0 145 PHE AAA CA  1 ? 
ATOM   1222 C C   . PHE A 1 147 ? 2.529   24.600  19.424 1.000 13.777 0 145 PHE AAA C   1 ? 
ATOM   1223 O O   . PHE A 1 147 ? 2.166   25.755  19.656 1.000 13.614 0 145 PHE AAA O   1 ? 
ATOM   1224 C CB  . PHE A 1 147 ? 1.772   23.183  17.498 1.000 16.336 0 145 PHE AAA CB  1 ? 
ATOM   1225 C CG  . PHE A 1 147 ? 0.367   23.670  17.723 1.000 18.343 0 145 PHE AAA CG  1 ? 
ATOM   1226 C CD1 . PHE A 1 147 ? -0.241  24.492  16.789 1.000 21.594 0 145 PHE AAA CD1 1 ? 
ATOM   1227 C CD2 . PHE A 1 147 ? -0.313  23.356  18.889 1.000 21.043 0 145 PHE AAA CD2 1 ? 
ATOM   1228 C CE1 . PHE A 1 147 ? -1.530  24.964  16.996 1.000 21.630 0 145 PHE AAA CE1 1 ? 
ATOM   1229 C CE2 . PHE A 1 147 ? -1.600  23.842  19.101 1.000 24.020 0 145 PHE AAA CE2 1 ? 
ATOM   1230 C CZ  . PHE A 1 147 ? -2.201  24.633  18.144 1.000 22.073 0 145 PHE AAA CZ  1 ? 
ATOM   1231 N N   . LEU A 1 148 ? 2.666   23.684  20.386 1.000 12.857 0 146 LEU AAA N   1 ? 
ATOM   1232 C CA  . LEU A 1 148 ? 2.375   24.001  21.803 1.000 12.866 0 146 LEU AAA CA  1 ? 
ATOM   1233 C C   . LEU A 1 148 ? 3.293   25.125  22.297 1.000 12.496 0 146 LEU AAA C   1 ? 
ATOM   1234 O O   . LEU A 1 148 ? 2.816   25.947  23.108 1.000 12.543 0 146 LEU AAA O   1 ? 
ATOM   1235 C CB  . LEU A 1 148 ? 2.586   22.771  22.694 1.000 12.415 0 146 LEU AAA CB  1 ? 
ATOM   1236 C CG  . LEU A 1 148 ? 1.697   21.572  22.363 1.000 13.236 0 146 LEU AAA CG  1 ? 
ATOM   1237 C CD1 . LEU A 1 148 ? 2.144   20.361  23.139 1.000 13.063 0 146 LEU AAA CD1 1 ? 
ATOM   1238 C CD2 . LEU A 1 148 ? 0.239   21.896  22.649 1.000 13.611 0 146 LEU AAA CD2 1 ? 
ATOM   1239 N N   . ALA A 1 149 ? 4.575   25.104  21.917 1.000 12.038 0 147 ALA AAA N   1 ? 
ATOM   1240 C CA  . ALA A 1 149 ? 5.583   26.062  22.456 1.000 11.735 0 147 ALA AAA CA  1 ? 
ATOM   1241 C C   . ALA A 1 149 ? 5.262   27.485  21.994 1.000 12.380 0 147 ALA AAA C   1 ? 
ATOM   1242 O O   . ALA A 1 149 ? 5.798   28.422  22.616 1.000 12.234 0 147 ALA AAA O   1 ? 
ATOM   1243 C CB  . ALA A 1 149 ? 6.977   25.667  22.056 1.000 11.322 0 147 ALA AAA CB  1 ? 
ATOM   1244 N N   . VAL A 1 150 ? 4.481   27.648  20.919 1.000 12.664 0 148 VAL AAA N   1 ? 
ATOM   1245 C CA  . VAL A 1 150 ? 3.991   28.992  20.505 1.000 13.886 0 148 VAL AAA CA  1 ? 
ATOM   1246 C C   . VAL A 1 150 ? 2.592   29.233  21.081 1.000 14.978 0 148 VAL AAA C   1 ? 
ATOM   1247 O O   . VAL A 1 150 ? 2.349   30.323  21.616 1.000 16.947 0 148 VAL AAA O   1 ? 
ATOM   1248 C CB  . VAL A 1 150 ? 4.001   29.161  18.985 1.000 13.644 0 148 VAL AAA CB  1 ? 
ATOM   1249 C CG1 . VAL A 1 150 ? 3.290   30.438  18.610 1.000 13.853 0 148 VAL AAA CG1 1 ? 
ATOM   1250 C CG2 . VAL A 1 150 ? 5.415   29.085  18.421 1.000 14.692 0 148 VAL AAA CG2 1 ? 
ATOM   1251 N N   . GLU A 1 151 ? 1.674   28.297  20.891 1.000 15.361 0 149 GLU AAA N   1 ? 
ATOM   1252 C CA  . GLU A 1 151 ? 0.225   28.557  21.080 1.000 16.837 0 149 GLU AAA CA  1 ? 
ATOM   1253 C C   . GLU A 1 151 ? -0.167  28.507  22.551 1.000 17.155 0 149 GLU AAA C   1 ? 
ATOM   1254 O O   . GLU A 1 151 ? -1.031  29.346  22.942 1.000 17.333 0 149 GLU AAA O   1 ? 
ATOM   1255 C CB  . GLU A 1 151 ? -0.619  27.550  20.307 1.000 18.783 0 149 GLU AAA CB  1 ? 
ATOM   1256 C CG  . GLU A 1 151 ? -0.488  27.711  18.826 1.000 20.431 0 149 GLU AAA CG  1 ? 
ATOM   1257 C CD  . GLU A 1 151 ? -0.866  29.096  18.326 1.000 22.401 0 149 GLU AAA CD  1 ? 
ATOM   1258 O OE1 . GLU A 1 151 ? -1.847  29.705  18.862 1.000 23.569 0 149 GLU AAA OE1 1 ? 
ATOM   1259 O OE2 . GLU A 1 151 ? -0.172  29.549  17.404 1.000 25.144 0 149 GLU AAA OE2 1 ? 
ATOM   1260 N N   . ILE A 1 152 ? 0.369   27.589  23.362 1.000 16.150 0 150 ILE AAA N   1 ? 
ATOM   1261 C CA  . ILE A 1 152 ? -0.158  27.448  24.760 1.000 16.589 0 150 ILE AAA CA  1 ? 
ATOM   1262 C C   . ILE A 1 152 ? 0.183   28.732  25.547 1.000 17.765 0 150 ILE AAA C   1 ? 
ATOM   1263 O O   . ILE A 1 152 ? -0.672  29.369  26.181 1.000 16.085 0 150 ILE AAA O   1 ? 
ATOM   1264 C CB  . ILE A 1 152 ? 0.282   26.123  25.439 1.000 16.617 0 150 ILE AAA CB  1 ? 
ATOM   1265 C CG1 . ILE A 1 152 ? -0.045  24.906  24.570 1.000 17.400 0 150 ILE AAA CG1 1 ? 
ATOM   1266 C CG2 . ILE A 1 152 ? -0.352  26.017  26.806 1.000 17.175 0 150 ILE AAA CG2 1 ? 
ATOM   1267 C CD1 . ILE A 1 152 ? -1.501  24.813  24.139 1.000 17.884 0 150 ILE AAA CD1 1 ? 
ATOM   1268 N N   . PRO A 1 153 ? 1.437   29.225  25.480 1.000 20.094 0 151 PRO AAA N   1 ? 
ATOM   1269 C CA  . PRO A 1 153 ? 1.784   30.516  26.072 1.000 18.813 0 151 PRO AAA CA  1 ? 
ATOM   1270 C C   . PRO A 1 153 ? 0.853   31.651  25.636 1.000 19.822 0 151 PRO AAA C   1 ? 
ATOM   1271 O O   . PRO A 1 153 ? 0.369   32.421  26.497 1.000 17.839 0 151 PRO AAA O   1 ? 
ATOM   1272 C CB  . PRO A 1 153 ? 3.215   30.756  25.549 1.000 19.965 0 151 PRO AAA CB  1 ? 
ATOM   1273 C CG  . PRO A 1 153 ? 3.779   29.352  25.386 1.000 19.804 0 151 PRO AAA CG  1 ? 
ATOM   1274 C CD  . PRO A 1 153 ? 2.605   28.538  24.908 1.000 20.002 0 151 PRO AAA CD  1 ? 
ATOM   1275 N N   . ASP A 1 154 ? 0.576   31.713  24.335 1.000 19.984 0 152 ASP AAA N   1 ? 
ATOM   1276 C CA  . ASP A 1 154 ? -0.282  32.763  23.734 1.000 23.652 0 152 ASP AAA CA  1 ? 
ATOM   1277 C C   . ASP A 1 154 ? -1.700  32.641  24.321 1.000 24.506 0 152 ASP AAA C   1 ? 
ATOM   1278 O O   . ASP A 1 154 ? -2.264  33.647  24.813 1.000 22.470 0 152 ASP AAA O   1 ? 
ATOM   1279 C CB  . ASP A 1 154 ? -0.250  32.647  22.211 1.000 24.237 0 152 ASP AAA CB  1 ? 
ATOM   1280 C CG  . ASP A 1 154 ? -0.985  33.761  21.490 1.000 27.749 0 152 ASP AAA CG  1 ? 
ATOM   1281 O OD1 . ASP A 1 154 ? -0.772  34.939  21.866 1.000 30.451 0 152 ASP AAA OD1 1 ? 
ATOM   1282 O OD2 . ASP A 1 154 ? -1.762  33.443  20.580 1.000 29.839 0 152 ASP AAA OD2 1 ? 
ATOM   1283 N N   . LEU A 1 155 ? -2.272  31.445  24.278 1.000 22.740 0 153 LEU AAA N   1 ? 
ATOM   1284 C CA  . LEU A 1 155 ? -3.655  31.205  24.751 1.000 25.233 0 153 LEU AAA CA  1 ? 
ATOM   1285 C C   . LEU A 1 155 ? -3.783  31.412  26.264 1.000 23.602 0 153 LEU AAA C   1 ? 
ATOM   1286 O O   . LEU A 1 155 ? -4.876  31.811  26.688 1.000 24.466 0 153 LEU AAA O   1 ? 
ATOM   1287 C CB  . LEU A 1 155 ? -4.073  29.796  24.321 1.000 28.620 0 153 LEU AAA CB  1 ? 
ATOM   1288 C CG  . LEU A 1 155 ? -4.163  29.593  22.808 1.000 30.914 0 153 LEU AAA CG  1 ? 
ATOM   1289 C CD1 . LEU A 1 155 ? -4.823  28.260  22.502 1.000 32.944 0 153 LEU AAA CD1 1 ? 
ATOM   1290 C CD2 . LEU A 1 155 ? -4.911  30.733  22.106 1.000 33.929 0 153 LEU AAA CD2 1 ? 
ATOM   1291 N N   . ILE A 1 156 ? -2.737  31.174  27.056 1.000 20.124 0 154 ILE AAA N   1 ? 
ATOM   1292 C CA  . ILE A 1 156 ? -2.738  31.469  28.513 1.000 22.165 0 154 ILE AAA CA  1 ? 
ATOM   1293 C C   . ILE A 1 156 ? -2.745  32.994  28.663 1.000 22.173 0 154 ILE AAA C   1 ? 
ATOM   1294 O O   . ILE A 1 156 ? -3.552  33.519  29.433 1.000 22.243 0 154 ILE AAA O   1 ? 
ATOM   1295 C CB  . ILE A 1 156 ? -1.528  30.827  29.214 1.000 22.595 0 154 ILE AAA CB  1 ? 
ATOM   1296 C CG1 . ILE A 1 156 ? -1.648  29.302  29.198 1.000 22.297 0 154 ILE AAA CG1 1 ? 
ATOM   1297 C CG2 . ILE A 1 156 ? -1.335  31.382  30.626 1.000 20.001 0 154 ILE AAA CG2 1 ? 
ATOM   1298 C CD1 . ILE A 1 156 ? -0.374  28.576  29.556 1.000 22.162 0 154 ILE AAA CD1 1 ? 
ATOM   1299 N N   . GLN A 1 157 ? -1.895  33.695  27.924 1.000 24.015 0 155 GLN AAA N   1 ? 
ATOM   1300 C CA  . GLN A 1 157 ? -1.785  35.177  28.027 1.000 27.040 0 155 GLN AAA CA  1 ? 
ATOM   1301 C C   . GLN A 1 157 ? -3.147  35.819  27.707 1.000 29.329 0 155 GLN AAA C   1 ? 
ATOM   1302 O O   . GLN A 1 157 ? -3.555  36.724  28.465 1.000 30.039 0 155 GLN AAA O   1 ? 
ATOM   1303 C CB  . GLN A 1 157 ? -0.690  35.693  27.089 1.000 30.122 0 155 GLN AAA CB  1 ? 
ATOM   1304 C CG  . GLN A 1 157 ? -0.352  37.170  27.289 1.000 30.497 0 155 GLN AAA CG  1 ? 
ATOM   1305 C CD  . GLN A 1 157 ? -1.256  38.107  26.522 1.000 32.507 0 155 GLN AAA CD  1 ? 
ATOM   1306 O OE1 . GLN A 1 157 ? -1.583  37.876  25.358 1.000 33.449 0 155 GLN AAA OE1 1 ? 
ATOM   1307 N NE2 . GLN A 1 157 ? -1.685  39.176  27.184 1.000 33.671 0 155 GLN AAA NE2 1 ? 
ATOM   1308 N N   . LYS A 1 158 ? -3.812  35.380  26.626 1.000 29.686 0 156 LYS AAA N   1 ? 
ATOM   1309 C CA  . LYS A 1 158 ? -5.105  35.933  26.115 1.000 29.113 0 156 LYS AAA CA  1 ? 
ATOM   1310 C C   . LYS A 1 158 ? -6.281  35.477  26.987 1.000 29.622 0 156 LYS AAA C   1 ? 
ATOM   1311 O O   . LYS A 1 158 ? -7.411  35.899  26.684 1.000 31.904 0 156 LYS AAA O   1 ? 
ATOM   1312 C CB  . LYS A 1 158 ? -5.386  35.476  24.682 1.000 29.321 0 156 LYS AAA CB  1 ? 
ATOM   1313 C CG  . LYS A 1 158 ? -4.345  35.889  23.664 1.000 31.619 0 156 LYS AAA CG  1 ? 
ATOM   1314 C CD  . LYS A 1 158 ? -4.375  35.031  22.434 1.000 34.891 0 156 LYS AAA CD  1 ? 
ATOM   1315 C CE  . LYS A 1 158 ? -3.840  35.750  21.218 1.000 37.548 0 156 LYS AAA CE  1 ? 
ATOM   1316 N NZ  . LYS A 1 158 ? -4.726  36.880  20.872 1.000 41.297 0 156 LYS AAA NZ  1 ? 
ATOM   1317 N N   . GLY A 1 159 ? -6.045  34.609  27.975 1.000 27.481 0 157 GLY AAA N   1 ? 
ATOM   1318 C CA  . GLY A 1 159 ? -7.070  34.103  28.901 1.000 26.330 0 157 GLY AAA CA  1 ? 
ATOM   1319 C C   . GLY A 1 159 ? -8.032  33.133  28.236 1.000 30.912 0 157 GLY AAA C   1 ? 
ATOM   1320 O O   . GLY A 1 159 ? -9.136  32.913  28.794 1.000 28.005 0 157 GLY AAA O   1 ? 
ATOM   1321 N N   . VAL A 1 160 ? -7.633  32.527  27.115 1.000 28.180 0 158 VAL AAA N   1 ? 
ATOM   1322 C CA  . VAL A 1 160 ? -8.426  31.487  26.394 1.000 29.304 0 158 VAL AAA CA  1 ? 
ATOM   1323 C C   . VAL A 1 160 ? -8.275  30.152  27.140 1.000 28.149 0 158 VAL AAA C   1 ? 
ATOM   1324 O O   . VAL A 1 160 ? -9.260  29.422  27.240 1.000 27.104 0 158 VAL AAA O   1 ? 
ATOM   1325 C CB  . VAL A 1 160 ? -7.983  31.390  24.919 1.000 29.890 0 158 VAL AAA CB  1 ? 
ATOM   1326 C CG1 . VAL A 1 160 ? -8.647  30.251  24.163 1.000 32.559 0 158 VAL AAA CG1 1 ? 
ATOM   1327 C CG2 . VAL A 1 160 ? -8.184  32.701  24.187 1.000 29.875 0 158 VAL AAA CG2 1 ? 
ATOM   1328 N N   . ILE A 1 161 ? -7.080  29.833  27.630 1.000 26.336 0 159 ILE AAA N   1 ? 
ATOM   1329 C CA  . ILE A 1 161 ? -6.794  28.563  28.364 1.000 29.490 0 159 ILE AAA CA  1 ? 
ATOM   1330 C C   . ILE A 1 161 ? -6.634  28.939  29.826 1.000 29.218 0 159 ILE AAA C   1 ? 
ATOM   1331 O O   . ILE A 1 161 ? -5.870  29.874  30.112 1.000 31.063 0 159 ILE AAA O   1 ? 
ATOM   1332 C CB  . ILE A 1 161 ? -5.519  27.875  27.818 1.000 30.474 0 159 ILE AAA CB  1 ? 
ATOM   1333 C CG1 . ILE A 1 161 ? -5.762  27.227  26.454 1.000 31.740 0 159 ILE AAA CG1 1 ? 
ATOM   1334 C CG2 . ILE A 1 161 ? -4.929  26.878  28.808 1.000 29.651 0 159 ILE AAA CG2 1 ? 
ATOM   1335 C CD1 . ILE A 1 161 ? -4.491  26.729  25.801 1.000 32.820 0 159 ILE AAA CD1 1 ? 
ATOM   1336 N N   . HIS A 1 162 ? -7.300  28.222  30.716 1.000 32.957 0 160 HIS AAA N   1 ? 
ATOM   1337 C CA  . HIS A 1 162 ? -7.220  28.450  32.178 1.000 31.862 0 160 HIS AAA CA  1 ? 
ATOM   1338 C C   . HIS A 1 162 ? -6.668  27.178  32.824 1.000 32.389 0 160 HIS AAA C   1 ? 
ATOM   1339 O O   . HIS A 1 162 ? -6.762  26.103  32.211 1.000 31.562 0 160 HIS AAA O   1 ? 
ATOM   1340 C CB  . HIS A 1 162 ? -8.584  28.903  32.734 1.000 34.803 0 160 HIS AAA CB  1 ? 
ATOM   1341 N N   . HIS A 1 163 ? -6.053  27.337  33.993 1.000 32.064 0 161 HIS AAA N   1 ? 
ATOM   1342 C CA  . HIS A 1 163 ? -5.536  26.245  34.857 1.000 32.050 0 161 HIS AAA CA  1 ? 
ATOM   1343 C C   . HIS A 1 163 ? -6.504  26.043  36.030 1.000 35.024 0 161 HIS AAA C   1 ? 
ATOM   1344 O O   . HIS A 1 163 ? -6.858  24.886  36.278 1.000 43.792 0 161 HIS AAA O   1 ? 
ATOM   1345 C CB  . HIS A 1 163 ? -4.108  26.566  35.312 1.000 28.786 0 161 HIS AAA CB  1 ? 
ATOM   1346 C CG  . HIS A 1 163 ? -3.416  25.372  35.866 1.000 25.726 0 161 HIS AAA CG  1 ? 
ATOM   1347 N ND1 . HIS A 1 163 ? -3.409  25.102  37.206 1.000 23.549 0 161 HIS AAA ND1 1 ? 
ATOM   1348 C CD2 . HIS A 1 163 ? -2.790  24.345  35.258 1.000 24.627 0 161 HIS AAA CD2 1 ? 
ATOM   1349 C CE1 . HIS A 1 163 ? -2.791  23.966  37.418 1.000 25.577 0 161 HIS AAA CE1 1 ? 
ATOM   1350 N NE2 . HIS A 1 163 ? -2.373  23.489  36.229 1.000 24.969 0 161 HIS AAA NE2 1 ? 
HETATM 1351 C C1  . GOL B 2 .   ? 8.428   19.632  23.985 1.000 32.557 0 201 GOL AAA C1  1 ? 
HETATM 1352 O O1  . GOL B 2 .   ? 9.039   18.715  23.058 1.000 29.988 0 201 GOL AAA O1  1 ? 
HETATM 1353 C C2  . GOL B 2 .   ? 6.975   19.942  23.643 1.000 29.069 0 201 GOL AAA C2  1 ? 
HETATM 1354 O O2  . GOL B 2 .   ? 6.109   19.064  24.328 1.000 35.069 0 201 GOL AAA O2  1 ? 
HETATM 1355 C C3  . GOL B 2 .   ? 6.493   21.328  24.020 1.000 27.453 0 201 GOL AAA C3  1 ? 
HETATM 1356 O O3  . GOL B 2 .   ? 6.301   22.138  22.885 1.000 22.951 0 201 GOL AAA O3  1 ? 
HETATM 1357 O O   . HOH C 3 .   ? 19.550  15.149  18.675 1.000 32.533 0 301 HOH AAA O   1 ? 
HETATM 1358 O O   . HOH C 3 .   ? 11.511  0.051   26.548 1.000 30.332 0 302 HOH AAA O   1 ? 
HETATM 1359 O O   . HOH C 3 .   ? 16.020  4.256   26.018 1.000 23.813 0 303 HOH AAA O   1 ? 
HETATM 1360 O O   . HOH C 3 .   ? -10.906 16.535  15.709 1.000 34.469 0 304 HOH AAA O   1 ? 
HETATM 1361 O O   . HOH C 3 .   ? -2.859  18.748  11.613 1.000 23.036 0 305 HOH AAA O   1 ? 
HETATM 1362 O O   . HOH C 3 .   ? -8.906  -5.752  14.216 1.000 20.065 0 306 HOH AAA O   1 ? 
HETATM 1363 O O   . HOH C 3 .   ? -15.529 21.651  14.881 1.000 30.653 0 307 HOH AAA O   1 ? 
HETATM 1364 O O   . HOH C 3 .   ? 12.474  -2.583  18.591 1.000 24.087 0 308 HOH AAA O   1 ? 
HETATM 1365 O O   . HOH C 3 .   ? 19.890  25.643  12.775 1.000 24.287 0 309 HOH AAA O   1 ? 
HETATM 1366 O O   . HOH C 3 .   ? 13.699  15.223  20.463 1.000 20.554 0 310 HOH AAA O   1 ? 
HETATM 1367 O O   . HOH C 3 .   ? -8.130  18.122  23.568 1.000 20.222 0 311 HOH AAA O   1 ? 
HETATM 1368 O O   . HOH C 3 .   ? 16.110  12.631  4.290  1.000 28.189 0 312 HOH AAA O   1 ? 
HETATM 1369 O O   . HOH C 3 .   ? -3.178  13.578  6.205  1.000 28.994 0 313 HOH AAA O   1 ? 
HETATM 1370 O O   . HOH C 3 .   ? -8.985  1.515   10.575 1.000 27.787 0 314 HOH AAA O   1 ? 
HETATM 1371 O O   . HOH C 3 .   ? 0.715   24.243  5.376  1.000 34.229 0 315 HOH AAA O   1 ? 
HETATM 1372 O O   . HOH C 3 .   ? 7.167   -7.818  11.142 1.000 23.849 0 316 HOH AAA O   1 ? 
HETATM 1373 O O   . HOH C 3 .   ? 14.357  7.265   30.343 1.000 26.244 0 317 HOH AAA O   1 ? 
HETATM 1374 O O   . HOH C 3 .   ? 9.690   17.012  36.509 1.000 37.946 0 318 HOH AAA O   1 ? 
HETATM 1375 O O   . HOH C 3 .   ? 14.725  4.408   6.418  1.000 24.571 0 319 HOH AAA O   1 ? 
HETATM 1376 O O   . HOH C 3 .   ? -9.066  13.438  21.714 1.000 29.447 0 320 HOH AAA O   1 ? 
HETATM 1377 O O   . HOH C 3 .   ? 14.132  2.070   23.364 1.000 36.082 0 321 HOH AAA O   1 ? 
HETATM 1378 O O   . HOH C 3 .   ? -5.982  -4.464  3.297  1.000 34.492 0 322 HOH AAA O   1 ? 
HETATM 1379 O O   . HOH C 3 .   ? -0.520  -10.041 2.119  1.000 31.834 0 323 HOH AAA O   1 ? 
HETATM 1380 O O   . HOH C 3 .   ? 10.961  12.625  -0.620 1.000 34.991 0 324 HOH AAA O   1 ? 
HETATM 1381 O O   . HOH C 3 .   ? 11.989  2.584   14.308 1.000 20.662 0 325 HOH AAA O   1 ? 
HETATM 1382 O O   . HOH C 3 .   ? 13.436  21.511  11.559 1.000 25.459 0 326 HOH AAA O   1 ? 
HETATM 1383 O O   . HOH C 3 .   ? 3.718   32.501  22.251 1.000 21.404 0 327 HOH AAA O   1 ? 
HETATM 1384 O O   . HOH C 3 .   ? -5.049  32.161  31.186 1.000 36.719 0 328 HOH AAA O   1 ? 
HETATM 1385 O O   . HOH C 3 .   ? 0.853   29.311  33.625 1.000 22.124 0 329 HOH AAA O   1 ? 
HETATM 1386 O O   . HOH C 3 .   ? 17.963  14.513  33.543 1.000 27.900 0 330 HOH AAA O   1 ? 
HETATM 1387 O O   . HOH C 3 .   ? 12.043  16.403  24.293 1.000 23.802 0 331 HOH AAA O   1 ? 
HETATM 1388 O O   . HOH C 3 .   ? 12.068  2.026   2.502  1.000 25.367 0 332 HOH AAA O   1 ? 
HETATM 1389 O O   . HOH C 3 .   ? 4.125   22.867  14.130 1.000 23.065 0 333 HOH AAA O   1 ? 
HETATM 1390 O O   . HOH C 3 .   ? 15.234  10.475  13.539 1.000 13.535 0 334 HOH AAA O   1 ? 
HETATM 1391 O O   . HOH C 3 .   ? -3.651  -4.094  6.597  1.000 19.034 0 335 HOH AAA O   1 ? 
HETATM 1392 O O   . HOH C 3 .   ? 11.540  14.256  35.511 1.000 40.260 0 336 HOH AAA O   1 ? 
HETATM 1393 O O   . HOH C 3 .   ? 17.533  12.532  26.971 1.000 20.675 0 337 HOH AAA O   1 ? 
HETATM 1394 O O   . HOH C 3 .   ? 4.577   22.742  11.552 1.000 32.171 0 338 HOH AAA O   1 ? 
HETATM 1395 O O   . HOH C 3 .   ? 18.543  17.306  8.804  1.000 28.225 0 339 HOH AAA O   1 ? 
HETATM 1396 O O   . HOH C 3 .   ? 22.730  19.028  20.419 1.000 27.362 0 340 HOH AAA O   1 ? 
HETATM 1397 O O   . HOH C 3 .   ? 7.652   10.668  33.590 1.000 35.979 0 341 HOH AAA O   1 ? 
HETATM 1398 O O   . HOH C 3 .   ? 23.596  21.780  8.164  1.000 35.644 0 342 HOH AAA O   1 ? 
HETATM 1399 O O   . HOH C 3 .   ? -6.557  12.963  12.087 1.000 22.216 0 343 HOH AAA O   1 ? 
HETATM 1400 O O   . HOH C 3 .   ? 8.588   4.365   29.100 1.000 38.623 0 344 HOH AAA O   1 ? 
HETATM 1401 O O   . HOH C 3 .   ? 4.856   -8.467  9.507  1.000 12.319 0 345 HOH AAA O   1 ? 
HETATM 1402 O O   . HOH C 3 .   ? -1.093  1.428   22.030 1.000 18.219 0 346 HOH AAA O   1 ? 
HETATM 1403 O O   . HOH C 3 .   ? 0.245   36.517  23.905 1.000 28.167 0 347 HOH AAA O   1 ? 
HETATM 1404 O O   . HOH C 3 .   ? 4.946   33.323  28.438 1.000 33.823 0 348 HOH AAA O   1 ? 
HETATM 1405 O O   . HOH C 3 .   ? 12.505  7.377   0.205  1.000 21.054 0 349 HOH AAA O   1 ? 
HETATM 1406 O O   . HOH C 3 .   ? 11.636  16.696  21.390 1.000 19.296 0 350 HOH AAA O   1 ? 
HETATM 1407 O O   . HOH C 3 .   ? 7.173   11.805  26.277 1.000 13.139 0 351 HOH AAA O   1 ? 
HETATM 1408 O O   . HOH C 3 .   ? -9.275  26.577  29.843 1.000 36.462 0 352 HOH AAA O   1 ? 
HETATM 1409 O O   . HOH C 3 .   ? 8.284   25.393  25.497 1.000 27.447 0 353 HOH AAA O   1 ? 
HETATM 1410 O O   . HOH C 3 .   ? -4.698  12.145  9.715  1.000 16.406 0 354 HOH AAA O   1 ? 
HETATM 1411 O O   . HOH C 3 .   ? 15.868  19.742  7.168  1.000 28.995 0 355 HOH AAA O   1 ? 
HETATM 1412 O O   . HOH C 3 .   ? 20.381  20.921  2.224  1.000 40.261 0 356 HOH AAA O   1 ? 
HETATM 1413 O O   . HOH C 3 .   ? 4.026   34.778  32.094 1.000 34.442 0 357 HOH AAA O   1 ? 
HETATM 1414 O O   . HOH C 3 .   ? -2.698  1.744   3.200  1.000 18.616 0 358 HOH AAA O   1 ? 
HETATM 1415 O O   . HOH C 3 .   ? 3.159   -0.868  1.118  1.000 38.551 0 359 HOH AAA O   1 ? 
HETATM 1416 O O   . HOH C 3 .   ? 14.084  13.358  23.755 1.000 23.156 0 360 HOH AAA O   1 ? 
HETATM 1417 O O   . HOH C 3 .   ? 3.985   15.880  31.136 1.000 38.278 0 361 HOH AAA O   1 ? 
HETATM 1418 O O   . HOH C 3 .   ? 26.354  22.404  14.767 1.000 26.802 0 362 HOH AAA O   1 ? 
HETATM 1419 O O   . HOH C 3 .   ? -2.623  -2.623  0.000  0.500 21.927 0 363 HOH AAA O   1 ? 
HETATM 1420 O O   . HOH C 3 .   ? 10.069  -3.782  5.504  1.000 16.064 0 364 HOH AAA O   1 ? 
HETATM 1421 O O   . HOH C 3 .   ? 7.412   9.171   6.379  1.000 14.254 0 365 HOH AAA O   1 ? 
HETATM 1422 O O   . HOH C 3 .   ? -2.708  -4.586  11.483 1.000 28.881 0 366 HOH AAA O   1 ? 
HETATM 1423 O O   . HOH C 3 .   ? 18.226  7.089   21.167 1.000 23.088 0 367 HOH AAA O   1 ? 
HETATM 1424 O O   . HOH C 3 .   ? 2.319   3.410   1.703  1.000 30.712 0 368 HOH AAA O   1 ? 
HETATM 1425 O O   . HOH C 3 .   ? 0.833   -5.088  1.350  1.000 24.379 0 369 HOH AAA O   1 ? 
HETATM 1426 O O   . HOH C 3 .   ? -7.952  8.506   17.103 1.000 21.214 0 370 HOH AAA O   1 ? 
HETATM 1427 O O   . HOH C 3 .   ? -14.412 25.357  15.265 1.000 28.067 0 371 HOH AAA O   1 ? 
HETATM 1428 O O   . HOH C 3 .   ? -13.827 19.671  20.080 1.000 16.422 0 372 HOH AAA O   1 ? 
HETATM 1429 O O   . HOH C 3 .   ? 26.229  18.873  12.454 1.000 30.245 0 373 HOH AAA O   1 ? 
HETATM 1430 O O   . HOH C 3 .   ? 7.087   6.581   15.567 1.000 12.641 0 374 HOH AAA O   1 ? 
HETATM 1431 O O   . HOH C 3 .   ? 1.758   28.077  16.055 1.000 43.945 0 375 HOH AAA O   1 ? 
HETATM 1432 O O   . HOH C 3 .   ? 9.131   19.679  20.440 1.000 32.844 0 376 HOH AAA O   1 ? 
HETATM 1433 O O   . HOH C 3 .   ? 6.479   22.083  28.990 1.000 23.229 0 377 HOH AAA O   1 ? 
HETATM 1434 O O   . HOH C 3 .   ? 12.980  1.220   20.743 1.000 14.954 0 378 HOH AAA O   1 ? 
HETATM 1435 O O   . HOH C 3 .   ? 1.417   1.417   0.000  0.500 35.802 0 379 HOH AAA O   1 ? 
HETATM 1436 O O   . HOH C 3 .   ? -6.585  0.868   22.351 1.000 40.545 0 380 HOH AAA O   1 ? 
HETATM 1437 O O   . HOH C 3 .   ? 12.884  -2.129  9.677  1.000 33.361 0 381 HOH AAA O   1 ? 
HETATM 1438 O O   . HOH C 3 .   ? 7.617   28.567  31.907 1.000 19.965 0 382 HOH AAA O   1 ? 
HETATM 1439 O O   . HOH C 3 .   ? -2.934  39.697  23.663 1.000 35.905 0 383 HOH AAA O   1 ? 
HETATM 1440 O O   . HOH C 3 .   ? -7.590  3.132   26.628 1.000 39.704 0 384 HOH AAA O   1 ? 
HETATM 1441 O O   . HOH C 3 .   ? 20.812  10.650  33.034 1.000 43.290 0 385 HOH AAA O   1 ? 
HETATM 1442 O O   . HOH C 3 .   ? -7.735  11.727  23.136 1.000 30.399 0 386 HOH AAA O   1 ? 
HETATM 1443 O O   . HOH C 3 .   ? 0.676   2.635   23.622 1.000 18.368 0 387 HOH AAA O   1 ? 
HETATM 1444 O O   . HOH C 3 .   ? 9.140   11.379  6.317  1.000 13.913 0 388 HOH AAA O   1 ? 
HETATM 1445 O O   . HOH C 3 .   ? 14.405  8.743   32.889 1.000 40.013 0 389 HOH AAA O   1 ? 
HETATM 1446 O O   . HOH C 3 .   ? -5.996  29.988  35.046 1.000 36.532 0 390 HOH AAA O   1 ? 
HETATM 1447 O O   . HOH C 3 .   ? 7.581   26.342  33.680 1.000 24.749 0 391 HOH AAA O   1 ? 
HETATM 1448 O O   . HOH C 3 .   ? 16.676  13.191  8.336  1.000 25.312 0 392 HOH AAA O   1 ? 
HETATM 1449 O O   . HOH C 3 .   ? -8.296  -1.475  15.332 1.000 15.104 0 393 HOH AAA O   1 ? 
HETATM 1450 O O   . HOH C 3 .   ? -6.797  8.497   4.115  1.000 31.048 0 394 HOH AAA O   1 ? 
HETATM 1451 O O   . HOH C 3 .   ? -5.240  -1.704  9.460  1.000 21.650 0 395 HOH AAA O   1 ? 
HETATM 1452 O O   . HOH C 3 .   ? 11.668  19.841  23.110 1.000 24.881 0 396 HOH AAA O   1 ? 
HETATM 1453 O O   . HOH C 3 .   ? 16.709  13.262  19.158 1.000 21.676 0 397 HOH AAA O   1 ? 
HETATM 1454 O O   . HOH C 3 .   ? -3.806  29.655  33.750 1.000 36.698 0 398 HOH AAA O   1 ? 
HETATM 1455 O O   . HOH C 3 .   ? 3.086   28.258  7.156  1.000 26.153 0 399 HOH AAA O   1 ? 
HETATM 1456 O O   . HOH C 3 .   ? -4.686  21.237  32.366 1.000 28.048 0 400 HOH AAA O   1 ? 
HETATM 1457 O O   . HOH C 3 .   ? 5.093   13.384  0.655  1.000 13.415 0 401 HOH AAA O   1 ? 
HETATM 1458 O O   . HOH C 3 .   ? 3.217   -4.195  15.019 1.000 22.881 0 402 HOH AAA O   1 ? 
HETATM 1459 O O   . HOH C 3 .   ? -10.318 29.714  15.159 1.000 40.521 0 403 HOH AAA O   1 ? 
HETATM 1460 O O   . HOH C 3 .   ? 5.437   33.880  35.673 1.000 33.666 0 404 HOH AAA O   1 ? 
HETATM 1461 O O   . HOH C 3 .   ? 9.448   21.779  13.105 1.000 30.466 0 405 HOH AAA O   1 ? 
HETATM 1462 O O   . HOH C 3 .   ? -10.560 25.704  15.028 1.000 38.706 0 406 HOH AAA O   1 ? 
HETATM 1463 O O   . HOH C 3 .   ? 3.490   21.503  37.700 1.000 35.899 0 407 HOH AAA O   1 ? 
HETATM 1464 O O   . HOH C 3 .   ? 9.344   14.971  32.601 1.000 19.514 0 408 HOH AAA O   1 ? 
HETATM 1465 O O   . HOH C 3 .   ? -5.152  22.380  29.831 1.000 36.459 0 409 HOH AAA O   1 ? 
HETATM 1466 O O   . HOH C 3 .   ? -0.022  22.089  37.571 1.000 20.868 0 410 HOH AAA O   1 ? 
HETATM 1467 O O   . HOH C 3 .   ? 14.198  -0.661  12.335 1.000 26.284 0 411 HOH AAA O   1 ? 
HETATM 1468 O O   . HOH C 3 .   ? -2.476  1.094   0.430  1.000 24.518 0 412 HOH AAA O   1 ? 
HETATM 1469 O O   . HOH C 3 .   ? 11.175  22.421  4.956  1.000 35.490 0 413 HOH AAA O   1 ? 
HETATM 1470 O O   . HOH C 3 .   ? -3.824  16.804  5.528  1.000 40.187 0 414 HOH AAA O   1 ? 
HETATM 1471 O O   . HOH C 3 .   ? 21.608  11.233  30.697 1.000 46.997 0 415 HOH AAA O   1 ? 
HETATM 1472 O O   . HOH C 3 .   ? -9.018  1.525   4.302  1.000 37.465 0 416 HOH AAA O   1 ? 
HETATM 1473 O O   . HOH C 3 .   ? 20.428  28.234  6.227  1.000 26.246 0 417 HOH AAA O   1 ? 
HETATM 1474 O O   . HOH C 3 .   ? -11.862 18.287  10.470 1.000 40.965 0 418 HOH AAA O   1 ? 
HETATM 1475 O O   . HOH C 3 .   ? 0.412   15.460  4.947  1.000 27.975 0 419 HOH AAA O   1 ? 
HETATM 1476 O O   . HOH C 3 .   ? -2.176  -5.173  8.929  1.000 20.989 0 420 HOH AAA O   1 ? 
HETATM 1477 O O   . HOH C 3 .   ? -9.799  31.348  31.284 1.000 34.861 0 421 HOH AAA O   1 ? 
HETATM 1478 O O   . HOH C 3 .   ? -13.692 31.089  16.846 1.000 29.982 0 422 HOH AAA O   1 ? 
HETATM 1479 O O   . HOH C 3 .   ? 20.510  1.848   21.620 1.000 38.988 0 423 HOH AAA O   1 ? 
HETATM 1480 O O   . HOH C 3 .   ? 10.965  -2.647  15.333 1.000 41.292 0 424 HOH AAA O   1 ? 
HETATM 1481 O O   . HOH C 3 .   ? -13.629 22.965  22.785 1.000 26.364 0 425 HOH AAA O   1 ? 
HETATM 1482 O O   . HOH C 3 .   ? 21.100  7.528   21.113 1.000 35.155 0 426 HOH AAA O   1 ? 
HETATM 1483 O O   . HOH C 3 .   ? 15.794  16.967  6.796  1.000 22.835 0 427 HOH AAA O   1 ? 
HETATM 1484 O O   . HOH C 3 .   ? -1.784  -4.302  13.912 1.000 27.347 0 428 HOH AAA O   1 ? 
HETATM 1485 O O   . HOH C 3 .   ? -11.115 3.431   3.169  1.000 45.714 0 429 HOH AAA O   1 ? 
HETATM 1486 O O   . HOH C 3 .   ? 14.864  11.933  21.269 1.000 23.232 0 430 HOH AAA O   1 ? 
HETATM 1487 O O   . HOH C 3 .   ? -11.274 24.492  8.616  1.000 41.141 0 431 HOH AAA O   1 ? 
HETATM 1488 O O   . HOH C 3 .   ? -8.614  12.664  13.755 1.000 36.167 0 432 HOH AAA O   1 ? 
HETATM 1489 O O   . HOH C 3 .   ? 7.119   23.013  12.351 1.000 42.379 0 433 HOH AAA O   1 ? 
HETATM 1490 O O   . HOH C 3 .   ? -5.664  8.269   26.778 1.000 46.507 0 434 HOH AAA O   1 ? 
HETATM 1491 O O   . HOH C 3 .   ? -2.012  -5.271  0.635  1.000 24.689 0 435 HOH AAA O   1 ? 
HETATM 1492 O O   . HOH C 3 .   ? 20.924  13.677  25.622 1.000 31.781 0 436 HOH AAA O   1 ? 
HETATM 1493 O O   . HOH C 3 .   ? 8.195   17.563  33.265 1.000 45.880 0 437 HOH AAA O   1 ? 
HETATM 1494 O O   . HOH C 3 .   ? 13.678  -0.662  25.661 1.000 44.764 0 438 HOH AAA O   1 ? 
HETATM 1495 O O   . HOH C 3 .   ? -2.885  8.965   27.384 1.000 30.920 0 439 HOH AAA O   1 ? 
HETATM 1496 O O   . HOH C 3 .   ? -5.487  12.720  7.271  1.000 35.773 0 440 HOH AAA O   1 ? 
HETATM 1497 O O   . HOH C 3 .   ? -9.818  9.822   22.215 1.000 39.244 0 441 HOH AAA O   1 ? 
HETATM 1498 O O   . HOH C 3 .   ? 17.646  14.901  10.341 1.000 26.439 0 442 HOH AAA O   1 ? 
HETATM 1499 O O   . HOH C 3 .   ? 18.521  13.366  12.213 1.000 26.877 0 443 HOH AAA O   1 ? 
HETATM 1500 O O   . HOH C 3 .   ? 17.570  10.804  12.065 1.000 30.975 0 444 HOH AAA O   1 ? 
HETATM 1501 O O   . HOH C 3 .   ? -17.879 16.265  11.754 1.000 34.037 0 445 HOH AAA O   1 ? 
HETATM 1502 O O   . HOH C 3 .   ? -11.122 14.932  23.141 1.000 31.589 0 446 HOH AAA O   1 ? 
HETATM 1503 O O   . HOH C 3 .   ? 2.254   36.324  24.916 1.000 35.825 0 447 HOH AAA O   1 ? 
HETATM 1504 O O   . HOH C 3 .   ? -2.588  -7.577  9.623  1.000 40.442 0 448 HOH AAA O   1 ? 
HETATM 1505 O O   . HOH C 3 .   ? 10.641  10.031  34.251 1.000 38.467 0 449 HOH AAA O   1 ? 
HETATM 1506 O O   . HOH C 3 .   ? -2.615  -8.218  12.097 1.000 43.576 0 450 HOH AAA O   1 ? 
HETATM 1507 O O   . HOH C 3 .   ? 9.877   27.445  34.442 1.000 25.558 0 451 HOH AAA O   1 ? 
HETATM 1508 O O   . HOH C 3 .   ? 12.111  -1.266  20.992 1.000 17.444 0 452 HOH AAA O   1 ? 
HETATM 1509 O O   . HOH C 3 .   ? -11.095 6.669   2.513  1.000 38.011 0 453 HOH AAA O   1 ? 
HETATM 1510 O O   . HOH C 3 .   ? -8.137  -2.583  4.328  1.000 47.663 0 454 HOH AAA O   1 ? 
HETATM 1511 O O   . HOH C 3 .   ? -7.707  2.119   7.295  1.000 38.687 0 455 HOH AAA O   1 ? 
HETATM 1512 O O   . HOH C 3 .   ? -10.156 -4.472  4.231  1.000 38.293 0 456 HOH AAA O   1 ? 
# 
