data_8X5S
# 
_entry.id   8X5S 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.398 
_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   8X5S         pdb_00008x5s 10.2210/pdb8x5s/pdb 
WWPDB D_1300042615 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2024-11-20 
# 
_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                        8X5S 
_pdbx_database_status.recvd_initial_deposition_date   2023-11-18 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_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           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              mkrai@aiims.edu 
_pdbx_contact_author.name_first         Manoj 
_pdbx_contact_author.name_last          Kumar 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-8239-7253 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Yadav, A.K.'        1 0009-0003-7404-9595 
'Madhuri, M.'        2 0009-0000-9930-8424 
'Saini, C.'          3 0009-0002-5026-1615 
'Inampudi, K.K.'     4 0000-0003-4419-7434 
'Ethayathulla, A.S.' 5 0000-0001-8958-3916 
'Kumar, M.'          6 0000-0002-8239-7253 
# 
_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                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'Crystal structure of shikimate kinase of Mycobacterium tuberculosis complex with shikimate-3-phosphate' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Yadav, A.K.'        1 0009-0003-7404-9595 
primary 'Kumar, M.'          2 0000-0002-8239-7253 
primary 'Ethayathulla, A.S.' 3 0000-0001-8958-3916 
primary 'Madhuri, M.'        4 0009-0000-9930-8424 
primary 'Saini, C.'          5 0009-0002-5026-1615 
# 
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 'Shikimate kinase'    18612.352 1   2.7.1.71 ? ? ? 
2 non-polymer syn SHIKIMATE-3-PHOSPHATE 254.131   1   ?        ? ? ? 
3 non-polymer syn 'SULFATE ION'         96.063    4   ?        ? ? ? 
4 water       nat water                 18.015    146 ?        ? ? ? 
# 
_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       
;MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGG
GAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVR
HILSRLQVPSPSEAAT
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGG
GAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVR
HILSRLQVPSPSEAAT
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 SHIKIMATE-3-PHOSPHATE S3P 
3 'SULFATE ION'         SO4 
4 water                 HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   ALA n 
1 3   PRO n 
1 4   LYS n 
1 5   ALA n 
1 6   VAL n 
1 7   LEU n 
1 8   VAL n 
1 9   GLY n 
1 10  LEU n 
1 11  PRO n 
1 12  GLY n 
1 13  SER n 
1 14  GLY n 
1 15  LYS n 
1 16  SER n 
1 17  THR n 
1 18  ILE n 
1 19  GLY n 
1 20  ARG n 
1 21  ARG n 
1 22  LEU n 
1 23  ALA n 
1 24  LYS n 
1 25  ALA n 
1 26  LEU n 
1 27  GLY n 
1 28  VAL n 
1 29  GLY n 
1 30  LEU n 
1 31  LEU n 
1 32  ASP n 
1 33  THR n 
1 34  ASP n 
1 35  VAL n 
1 36  ALA n 
1 37  ILE n 
1 38  GLU n 
1 39  GLN n 
1 40  ARG n 
1 41  THR n 
1 42  GLY n 
1 43  ARG n 
1 44  SER n 
1 45  ILE n 
1 46  ALA n 
1 47  ASP n 
1 48  ILE n 
1 49  PHE n 
1 50  ALA n 
1 51  THR n 
1 52  ASP n 
1 53  GLY n 
1 54  GLU n 
1 55  GLN n 
1 56  GLU n 
1 57  PHE n 
1 58  ARG n 
1 59  ARG n 
1 60  ILE n 
1 61  GLU n 
1 62  GLU n 
1 63  ASP n 
1 64  VAL n 
1 65  VAL n 
1 66  ARG n 
1 67  ALA n 
1 68  ALA n 
1 69  LEU n 
1 70  ALA n 
1 71  ASP n 
1 72  HIS n 
1 73  ASP n 
1 74  GLY n 
1 75  VAL n 
1 76  LEU n 
1 77  SER n 
1 78  LEU n 
1 79  GLY n 
1 80  GLY n 
1 81  GLY n 
1 82  ALA n 
1 83  VAL n 
1 84  THR n 
1 85  SER n 
1 86  PRO n 
1 87  GLY n 
1 88  VAL n 
1 89  ARG n 
1 90  ALA n 
1 91  ALA n 
1 92  LEU n 
1 93  ALA n 
1 94  GLY n 
1 95  HIS n 
1 96  THR n 
1 97  VAL n 
1 98  VAL n 
1 99  TYR n 
1 100 LEU n 
1 101 GLU n 
1 102 ILE n 
1 103 SER n 
1 104 ALA n 
1 105 ALA n 
1 106 GLU n 
1 107 GLY n 
1 108 VAL n 
1 109 ARG n 
1 110 ARG n 
1 111 THR n 
1 112 GLY n 
1 113 GLY n 
1 114 ASN n 
1 115 THR n 
1 116 VAL n 
1 117 ARG n 
1 118 PRO n 
1 119 LEU n 
1 120 LEU n 
1 121 ALA n 
1 122 GLY n 
1 123 PRO n 
1 124 ASP n 
1 125 ARG n 
1 126 ALA n 
1 127 GLU n 
1 128 LYS n 
1 129 TYR n 
1 130 ARG n 
1 131 ALA n 
1 132 LEU n 
1 133 MET n 
1 134 ALA n 
1 135 LYS n 
1 136 ARG n 
1 137 ALA n 
1 138 PRO n 
1 139 LEU n 
1 140 TYR n 
1 141 ARG n 
1 142 ARG n 
1 143 VAL n 
1 144 ALA n 
1 145 THR n 
1 146 MET n 
1 147 ARG n 
1 148 VAL n 
1 149 ASP n 
1 150 THR n 
1 151 ASN n 
1 152 ARG n 
1 153 ARG n 
1 154 ASN n 
1 155 PRO n 
1 156 GLY n 
1 157 ALA n 
1 158 VAL n 
1 159 VAL n 
1 160 ARG n 
1 161 HIS n 
1 162 ILE n 
1 163 LEU n 
1 164 SER n 
1 165 ARG n 
1 166 LEU n 
1 167 GLN n 
1 168 VAL n 
1 169 PRO n 
1 170 SER n 
1 171 PRO n 
1 172 SER n 
1 173 GLU n 
1 174 ALA n 
1 175 ALA n 
1 176 THR 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                   176 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 aroK 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    'ATCC 25618 / H37Rv' 
_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      'Mycobacterium tuberculosis H37Rv' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     83332 
_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 
GLN 'L-peptide linking' y GLUTAMINE             ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'       ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE               ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE             ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                 ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE            ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE               ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE            ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE         ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE               ? 'C5 H9 N O2'     115.130 
S3P non-polymer         . SHIKIMATE-3-PHOSPHATE ? 'C7 H11 O8 P'    254.131 
SER 'L-peptide linking' y SERINE                ? 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'         ? 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE             ? 'C4 H9 N O3'     119.119 
TYR 'L-peptide linking' y TYROSINE              ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   1   ?   ?   ?   A . n 
A 1 2   ALA 2   2   2   ALA ALA A . n 
A 1 3   PRO 3   3   3   PRO PRO A . n 
A 1 4   LYS 4   4   4   LYS LYS A . n 
A 1 5   ALA 5   5   5   ALA ALA A . n 
A 1 6   VAL 6   6   6   VAL VAL A . n 
A 1 7   LEU 7   7   7   LEU LEU A . n 
A 1 8   VAL 8   8   8   VAL VAL A . n 
A 1 9   GLY 9   9   9   GLY GLY A . n 
A 1 10  LEU 10  10  10  LEU LEU A . n 
A 1 11  PRO 11  11  11  PRO PRO A . n 
A 1 12  GLY 12  12  12  GLY GLY A . n 
A 1 13  SER 13  13  13  SER SER A . n 
A 1 14  GLY 14  14  14  GLY GLY A . n 
A 1 15  LYS 15  15  15  LYS LYS A . n 
A 1 16  SER 16  16  16  SER SER A . n 
A 1 17  THR 17  17  17  THR THR A . n 
A 1 18  ILE 18  18  18  ILE ILE A . n 
A 1 19  GLY 19  19  19  GLY GLY A . n 
A 1 20  ARG 20  20  20  ARG ARG A . n 
A 1 21  ARG 21  21  21  ARG ARG A . n 
A 1 22  LEU 22  22  22  LEU LEU A . n 
A 1 23  ALA 23  23  23  ALA ALA A . n 
A 1 24  LYS 24  24  24  LYS LYS A . n 
A 1 25  ALA 25  25  25  ALA ALA A . n 
A 1 26  LEU 26  26  26  LEU LEU A . n 
A 1 27  GLY 27  27  27  GLY GLY A . n 
A 1 28  VAL 28  28  28  VAL VAL A . n 
A 1 29  GLY 29  29  29  GLY GLY A . n 
A 1 30  LEU 30  30  30  LEU LEU A . n 
A 1 31  LEU 31  31  31  LEU LEU A . n 
A 1 32  ASP 32  32  32  ASP ASP A . n 
A 1 33  THR 33  33  33  THR THR A . n 
A 1 34  ASP 34  34  34  ASP ASP A . n 
A 1 35  VAL 35  35  35  VAL VAL A . n 
A 1 36  ALA 36  36  36  ALA ALA A . n 
A 1 37  ILE 37  37  37  ILE ILE A . n 
A 1 38  GLU 38  38  38  GLU GLU A . n 
A 1 39  GLN 39  39  39  GLN GLN A . n 
A 1 40  ARG 40  40  40  ARG ARG A . n 
A 1 41  THR 41  41  41  THR THR A . n 
A 1 42  GLY 42  42  42  GLY GLY A . n 
A 1 43  ARG 43  43  43  ARG ARG A . n 
A 1 44  SER 44  44  44  SER SER A . n 
A 1 45  ILE 45  45  45  ILE ILE A . n 
A 1 46  ALA 46  46  46  ALA ALA A . n 
A 1 47  ASP 47  47  47  ASP ASP A . n 
A 1 48  ILE 48  48  48  ILE ILE A . n 
A 1 49  PHE 49  49  49  PHE PHE A . n 
A 1 50  ALA 50  50  50  ALA ALA A . n 
A 1 51  THR 51  51  51  THR THR A . n 
A 1 52  ASP 52  52  52  ASP ASP A . n 
A 1 53  GLY 53  53  53  GLY GLY A . n 
A 1 54  GLU 54  54  54  GLU GLU A . n 
A 1 55  GLN 55  55  55  GLN GLN A . n 
A 1 56  GLU 56  56  56  GLU GLU A . n 
A 1 57  PHE 57  57  57  PHE PHE A . n 
A 1 58  ARG 58  58  58  ARG ARG A . n 
A 1 59  ARG 59  59  59  ARG ARG A . n 
A 1 60  ILE 60  60  60  ILE ILE A . n 
A 1 61  GLU 61  61  61  GLU GLU A . n 
A 1 62  GLU 62  62  62  GLU GLU A . n 
A 1 63  ASP 63  63  63  ASP ASP A . n 
A 1 64  VAL 64  64  64  VAL VAL A . n 
A 1 65  VAL 65  65  65  VAL VAL A . n 
A 1 66  ARG 66  66  66  ARG ARG A . n 
A 1 67  ALA 67  67  67  ALA ALA A . n 
A 1 68  ALA 68  68  68  ALA ALA A . n 
A 1 69  LEU 69  69  69  LEU LEU A . n 
A 1 70  ALA 70  70  70  ALA ALA A . n 
A 1 71  ASP 71  71  71  ASP ASP A . n 
A 1 72  HIS 72  72  72  HIS HIS A . n 
A 1 73  ASP 73  73  73  ASP ASP A . n 
A 1 74  GLY 74  74  74  GLY GLY A . n 
A 1 75  VAL 75  75  75  VAL VAL A . n 
A 1 76  LEU 76  76  76  LEU LEU A . n 
A 1 77  SER 77  77  77  SER SER A . n 
A 1 78  LEU 78  78  78  LEU LEU A . n 
A 1 79  GLY 79  79  79  GLY GLY A . n 
A 1 80  GLY 80  80  80  GLY GLY A . n 
A 1 81  GLY 81  81  81  GLY GLY A . n 
A 1 82  ALA 82  82  82  ALA ALA A . n 
A 1 83  VAL 83  83  83  VAL VAL A . n 
A 1 84  THR 84  84  84  THR THR A . n 
A 1 85  SER 85  85  85  SER SER A . n 
A 1 86  PRO 86  86  86  PRO PRO A . n 
A 1 87  GLY 87  87  87  GLY GLY A . n 
A 1 88  VAL 88  88  88  VAL VAL A . n 
A 1 89  ARG 89  89  89  ARG ARG A . n 
A 1 90  ALA 90  90  90  ALA ALA A . n 
A 1 91  ALA 91  91  91  ALA ALA A . n 
A 1 92  LEU 92  92  92  LEU LEU A . n 
A 1 93  ALA 93  93  93  ALA ALA A . n 
A 1 94  GLY 94  94  94  GLY GLY A . n 
A 1 95  HIS 95  95  95  HIS HIS A . n 
A 1 96  THR 96  96  96  THR THR A . n 
A 1 97  VAL 97  97  97  VAL VAL A . n 
A 1 98  VAL 98  98  98  VAL VAL A . n 
A 1 99  TYR 99  99  99  TYR TYR A . n 
A 1 100 LEU 100 100 100 LEU LEU A . n 
A 1 101 GLU 101 101 101 GLU GLU A . n 
A 1 102 ILE 102 102 102 ILE ILE A . n 
A 1 103 SER 103 103 103 SER SER A . n 
A 1 104 ALA 104 104 104 ALA ALA A . n 
A 1 105 ALA 105 105 105 ALA ALA A . n 
A 1 106 GLU 106 106 106 GLU GLU A . n 
A 1 107 GLY 107 107 107 GLY GLY A . n 
A 1 108 VAL 108 108 108 VAL VAL A . n 
A 1 109 ARG 109 109 109 ARG ARG A . n 
A 1 110 ARG 110 110 110 ARG ARG A . n 
A 1 111 THR 111 111 111 THR THR A . n 
A 1 112 GLY 112 112 112 GLY GLY A . n 
A 1 113 GLY 113 113 113 GLY GLY A . n 
A 1 114 ASN 114 114 114 ASN ASN A . n 
A 1 115 THR 115 115 115 THR THR A . n 
A 1 116 VAL 116 116 116 VAL VAL A . n 
A 1 117 ARG 117 117 117 ARG ARG A . n 
A 1 118 PRO 118 118 118 PRO PRO A . n 
A 1 119 LEU 119 119 119 LEU LEU A . n 
A 1 120 LEU 120 120 120 LEU LEU A . n 
A 1 121 ALA 121 121 121 ALA ALA A . n 
A 1 122 GLY 122 122 122 GLY GLY A . n 
A 1 123 PRO 123 123 123 PRO PRO A . n 
A 1 124 ASP 124 124 124 ASP ASP A . n 
A 1 125 ARG 125 125 125 ARG ARG A . n 
A 1 126 ALA 126 126 126 ALA ALA A . n 
A 1 127 GLU 127 127 127 GLU GLU A . n 
A 1 128 LYS 128 128 128 LYS LYS A . n 
A 1 129 TYR 129 129 129 TYR TYR A . n 
A 1 130 ARG 130 130 130 ARG ARG A . n 
A 1 131 ALA 131 131 131 ALA ALA A . n 
A 1 132 LEU 132 132 132 LEU LEU A . n 
A 1 133 MET 133 133 133 MET MET A . n 
A 1 134 ALA 134 134 134 ALA ALA A . n 
A 1 135 LYS 135 135 135 LYS LYS A . n 
A 1 136 ARG 136 136 136 ARG ARG A . n 
A 1 137 ALA 137 137 137 ALA ALA A . n 
A 1 138 PRO 138 138 138 PRO PRO A . n 
A 1 139 LEU 139 139 139 LEU LEU A . n 
A 1 140 TYR 140 140 140 TYR TYR A . n 
A 1 141 ARG 141 141 141 ARG ARG A . n 
A 1 142 ARG 142 142 142 ARG ARG A . n 
A 1 143 VAL 143 143 143 VAL VAL A . n 
A 1 144 ALA 144 144 144 ALA ALA A . n 
A 1 145 THR 145 145 145 THR THR A . n 
A 1 146 MET 146 146 146 MET MET A . n 
A 1 147 ARG 147 147 147 ARG ARG A . n 
A 1 148 VAL 148 148 148 VAL VAL A . n 
A 1 149 ASP 149 149 149 ASP ASP A . n 
A 1 150 THR 150 150 150 THR THR A . n 
A 1 151 ASN 151 151 151 ASN ASN A . n 
A 1 152 ARG 152 152 152 ARG ARG A . n 
A 1 153 ARG 153 153 153 ARG ARG A . n 
A 1 154 ASN 154 154 154 ASN ASN A . n 
A 1 155 PRO 155 155 155 PRO PRO A . n 
A 1 156 GLY 156 156 156 GLY GLY A . n 
A 1 157 ALA 157 157 157 ALA ALA A . n 
A 1 158 VAL 158 158 158 VAL VAL A . n 
A 1 159 VAL 159 159 159 VAL VAL A . n 
A 1 160 ARG 160 160 160 ARG ARG A . n 
A 1 161 HIS 161 161 161 HIS HIS A . n 
A 1 162 ILE 162 162 162 ILE ILE A . n 
A 1 163 LEU 163 163 163 LEU LEU A . n 
A 1 164 SER 164 164 164 SER SER A . n 
A 1 165 ARG 165 165 165 ARG ARG A . n 
A 1 166 LEU 166 166 166 LEU LEU A . n 
A 1 167 GLN 167 167 167 GLN GLN A . n 
A 1 168 VAL 168 168 168 VAL VAL A . n 
A 1 169 PRO 169 169 169 PRO PRO A . n 
A 1 170 SER 170 170 ?   ?   ?   A . n 
A 1 171 PRO 171 171 ?   ?   ?   A . n 
A 1 172 SER 172 172 ?   ?   ?   A . n 
A 1 173 GLU 173 173 ?   ?   ?   A . n 
A 1 174 ALA 174 174 ?   ?   ?   A . n 
A 1 175 ALA 175 175 ?   ?   ?   A . n 
A 1 176 THR 176 176 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        S3P 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   S3P 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 S3P 1   201 201 S3P S3P A . 
C 3 SO4 1   202 1   SO4 SO4 A . 
D 3 SO4 1   203 2   SO4 SO4 A . 
E 3 SO4 1   204 3   SO4 SO4 A . 
F 3 SO4 1   205 4   SO4 SO4 A . 
G 4 HOH 1   301 240 HOH HOH A . 
G 4 HOH 2   302 152 HOH HOH A . 
G 4 HOH 3   303 86  HOH HOH A . 
G 4 HOH 4   304 189 HOH HOH A . 
G 4 HOH 5   305 268 HOH HOH A . 
G 4 HOH 6   306 134 HOH HOH A . 
G 4 HOH 7   307 33  HOH HOH A . 
G 4 HOH 8   308 334 HOH HOH A . 
G 4 HOH 9   309 69  HOH HOH A . 
G 4 HOH 10  310 44  HOH HOH A . 
G 4 HOH 11  311 11  HOH HOH A . 
G 4 HOH 12  312 169 HOH HOH A . 
G 4 HOH 13  313 292 HOH HOH A . 
G 4 HOH 14  314 291 HOH HOH A . 
G 4 HOH 15  315 237 HOH HOH A . 
G 4 HOH 16  316 154 HOH HOH A . 
G 4 HOH 17  317 3   HOH HOH A . 
G 4 HOH 18  318 327 HOH HOH A . 
G 4 HOH 19  319 78  HOH HOH A . 
G 4 HOH 20  320 47  HOH HOH A . 
G 4 HOH 21  321 27  HOH HOH A . 
G 4 HOH 22  322 59  HOH HOH A . 
G 4 HOH 23  323 25  HOH HOH A . 
G 4 HOH 24  324 67  HOH HOH A . 
G 4 HOH 25  325 82  HOH HOH A . 
G 4 HOH 26  326 40  HOH HOH A . 
G 4 HOH 27  327 55  HOH HOH A . 
G 4 HOH 28  328 42  HOH HOH A . 
G 4 HOH 29  329 330 HOH HOH A . 
G 4 HOH 30  330 276 HOH HOH A . 
G 4 HOH 31  331 198 HOH HOH A . 
G 4 HOH 32  332 19  HOH HOH A . 
G 4 HOH 33  333 135 HOH HOH A . 
G 4 HOH 34  334 1   HOH HOH A . 
G 4 HOH 35  335 64  HOH HOH A . 
G 4 HOH 36  336 24  HOH HOH A . 
G 4 HOH 37  337 31  HOH HOH A . 
G 4 HOH 38  338 76  HOH HOH A . 
G 4 HOH 39  339 12  HOH HOH A . 
G 4 HOH 40  340 99  HOH HOH A . 
G 4 HOH 41  341 17  HOH HOH A . 
G 4 HOH 42  342 4   HOH HOH A . 
G 4 HOH 43  343 52  HOH HOH A . 
G 4 HOH 44  344 80  HOH HOH A . 
G 4 HOH 45  345 54  HOH HOH A . 
G 4 HOH 46  346 160 HOH HOH A . 
G 4 HOH 47  347 9   HOH HOH A . 
G 4 HOH 48  348 23  HOH HOH A . 
G 4 HOH 49  349 46  HOH HOH A . 
G 4 HOH 50  350 290 HOH HOH A . 
G 4 HOH 51  351 241 HOH HOH A . 
G 4 HOH 52  352 177 HOH HOH A . 
G 4 HOH 53  353 43  HOH HOH A . 
G 4 HOH 54  354 73  HOH HOH A . 
G 4 HOH 55  355 103 HOH HOH A . 
G 4 HOH 56  356 10  HOH HOH A . 
G 4 HOH 57  357 77  HOH HOH A . 
G 4 HOH 58  358 37  HOH HOH A . 
G 4 HOH 59  359 68  HOH HOH A . 
G 4 HOH 60  360 20  HOH HOH A . 
G 4 HOH 61  361 285 HOH HOH A . 
G 4 HOH 62  362 36  HOH HOH A . 
G 4 HOH 63  363 239 HOH HOH A . 
G 4 HOH 64  364 328 HOH HOH A . 
G 4 HOH 65  365 167 HOH HOH A . 
G 4 HOH 66  366 5   HOH HOH A . 
G 4 HOH 67  367 115 HOH HOH A . 
G 4 HOH 68  368 7   HOH HOH A . 
G 4 HOH 69  369 164 HOH HOH A . 
G 4 HOH 70  370 309 HOH HOH A . 
G 4 HOH 71  371 245 HOH HOH A . 
G 4 HOH 72  372 49  HOH HOH A . 
G 4 HOH 73  373 83  HOH HOH A . 
G 4 HOH 74  374 281 HOH HOH A . 
G 4 HOH 75  375 322 HOH HOH A . 
G 4 HOH 76  376 8   HOH HOH A . 
G 4 HOH 77  377 139 HOH HOH A . 
G 4 HOH 78  378 72  HOH HOH A . 
G 4 HOH 79  379 331 HOH HOH A . 
G 4 HOH 80  380 32  HOH HOH A . 
G 4 HOH 81  381 70  HOH HOH A . 
G 4 HOH 82  382 301 HOH HOH A . 
G 4 HOH 83  383 293 HOH HOH A . 
G 4 HOH 84  384 187 HOH HOH A . 
G 4 HOH 85  385 75  HOH HOH A . 
G 4 HOH 86  386 34  HOH HOH A . 
G 4 HOH 87  387 16  HOH HOH A . 
G 4 HOH 88  388 289 HOH HOH A . 
G 4 HOH 89  389 62  HOH HOH A . 
G 4 HOH 90  390 21  HOH HOH A . 
G 4 HOH 91  391 112 HOH HOH A . 
G 4 HOH 92  392 284 HOH HOH A . 
G 4 HOH 93  393 51  HOH HOH A . 
G 4 HOH 94  394 329 HOH HOH A . 
G 4 HOH 95  395 39  HOH HOH A . 
G 4 HOH 96  396 326 HOH HOH A . 
G 4 HOH 97  397 122 HOH HOH A . 
G 4 HOH 98  398 28  HOH HOH A . 
G 4 HOH 99  399 38  HOH HOH A . 
G 4 HOH 100 400 56  HOH HOH A . 
G 4 HOH 101 401 29  HOH HOH A . 
G 4 HOH 102 402 48  HOH HOH A . 
G 4 HOH 103 403 142 HOH HOH A . 
G 4 HOH 104 404 15  HOH HOH A . 
G 4 HOH 105 405 58  HOH HOH A . 
G 4 HOH 106 406 22  HOH HOH A . 
G 4 HOH 107 407 279 HOH HOH A . 
G 4 HOH 108 408 95  HOH HOH A . 
G 4 HOH 109 409 287 HOH HOH A . 
G 4 HOH 110 410 272 HOH HOH A . 
G 4 HOH 111 411 314 HOH HOH A . 
G 4 HOH 112 412 74  HOH HOH A . 
G 4 HOH 113 413 186 HOH HOH A . 
G 4 HOH 114 414 333 HOH HOH A . 
G 4 HOH 115 415 294 HOH HOH A . 
G 4 HOH 116 416 335 HOH HOH A . 
G 4 HOH 117 417 278 HOH HOH A . 
G 4 HOH 118 418 310 HOH HOH A . 
G 4 HOH 119 419 185 HOH HOH A . 
G 4 HOH 120 420 305 HOH HOH A . 
G 4 HOH 121 421 318 HOH HOH A . 
G 4 HOH 122 422 296 HOH HOH A . 
G 4 HOH 123 423 35  HOH HOH A . 
G 4 HOH 124 424 270 HOH HOH A . 
G 4 HOH 125 425 66  HOH HOH A . 
G 4 HOH 126 426 307 HOH HOH A . 
G 4 HOH 127 427 219 HOH HOH A . 
G 4 HOH 128 428 315 HOH HOH A . 
G 4 HOH 129 429 295 HOH HOH A . 
G 4 HOH 130 430 30  HOH HOH A . 
G 4 HOH 131 431 319 HOH HOH A . 
G 4 HOH 132 432 332 HOH HOH A . 
G 4 HOH 133 433 260 HOH HOH A . 
G 4 HOH 134 434 300 HOH HOH A . 
G 4 HOH 135 435 262 HOH HOH A . 
G 4 HOH 136 436 188 HOH HOH A . 
G 4 HOH 137 437 288 HOH HOH A . 
G 4 HOH 138 438 303 HOH HOH A . 
G 4 HOH 139 439 299 HOH HOH A . 
G 4 HOH 140 440 306 HOH HOH A . 
G 4 HOH 141 441 63  HOH HOH A . 
G 4 HOH 142 442 60  HOH HOH A . 
G 4 HOH 143 443 57  HOH HOH A . 
G 4 HOH 144 444 311 HOH HOH A . 
G 4 HOH 145 445 308 HOH HOH A . 
G 4 HOH 146 446 324 HOH HOH A . 
# 
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  ? ? ? 5.8.0419 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8X5S 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     59.424 
_cell.length_a_esd                 ? 
_cell.length_b                     59.424 
_cell.length_b_esd                 ? 
_cell.length_c                     102.250 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        6 
_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                         8X5S 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                152 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 31 2 1' 
_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                   8X5S 
_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             2.92 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          57.90 
_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, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;0.2 M Ammonium sulphate
0.1 M Sodium acetate trihydrate
pH - 4.6
30% PEG 2000
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     273 
_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 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-07-06 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.96546 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE BM30A' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.96546 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BM30A 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          29.5 
_reflns.entry_id                                       8X5S 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.72 
_reflns.d_resolution_low                               46.011 
_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                                     21710 
_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                           96 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                9.1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          18.8 
_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                                0.067 
_reflns.pdbx_Rpim_I_all                                0.022 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.99 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.063 
_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                                    1.72 
_reflns_shell.d_res_low                                     1.756 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1122 
_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                               9.3 
_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                               ? 
_reflns_shell.pdbx_Rpim_I_all                               0.369 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.913 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.072 
_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]                            -0.003 
_refine.aniso_B[1][2]                            -0.002 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -0.003 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.011 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               33.050 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.969 
_refine.correlation_coeff_Fo_to_Fc_free          0.950 
_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                                 8X5S 
_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                            1.726 
_refine.ls_d_res_low                             46.011 
_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                     21704 
_refine.ls_number_reflns_R_free                  1144 
_refine.ls_number_reflns_R_work                  20560 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    95.980 
_refine.ls_percent_reflns_R_free                 5.271 
_refine.ls_R_factor_all                          0.179 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2222 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1761 
_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                      0.229 
_refine.ls_wR_factor_R_work                      0.172 
_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                      2IYX 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.100 
_refine.pdbx_overall_ESU_R_Free                  0.106 
_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                             2.587 
_refine.overall_SU_ML                            0.080 
_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                    0.9694 
_refine.pdbx_average_fsc_free                    0.9576 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.726 
_refine_hist.d_res_low                        46.011 
_refine_hist.number_atoms_solvent             146 
_refine_hist.number_atoms_total               1434 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1252 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         36 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.010  0.012  1348 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1354 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.747  1.847  1837 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.594  1.771  3090 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 5.482  5.000  179  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 11.865 5.000  25   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.030 10.000 227  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.407 10.000 54   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.087  0.200  219  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.007  0.020  1654 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  322  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.246  0.200  311  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.195  0.200  1191 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.195  0.200  637  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.080  0.200  713  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.201  0.200  102  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.109  0.200  2    ? r_symmetry_xyhbond_nbd_other   ? ? 
'X-RAY DIFFRACTION' ? 0.347  0.200  22   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.211  0.200  80   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.175  0.200  19   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 3.140  3.176  691  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.112  3.174  691  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.456  5.682  867  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.458  5.685  868  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 4.884  3.897  657  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.624  3.850  636  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 7.240  6.852  965  ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 7.085  6.772  942  ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 11.305 39.535 1543 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 11.262 35.718 1511 ? 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' 1.726 1.771  1642 . 80  1556 99.6346  . 0.310 . . 0.309 . . . . . 0.254 . 20 . 0.919 0.906 0.333 
'X-RAY DIFFRACTION' 1.771 1.819  1604 . 82  1518 99.7506  . 0.277 . . 0.275 . . . . . 0.221 . 20 . 0.938 0.917 0.322 
'X-RAY DIFFRACTION' 1.819 1.872  1556 . 102 1452 99.8715  . 0.255 . . 0.254 . . . . . 0.195 . 20 . 0.950 0.947 0.270 
'X-RAY DIFFRACTION' 1.872 1.929  1506 . 69  1437 100.0000 . 0.231 . . 0.230 . . . . . 0.184 . 20 . 0.963 0.961 0.249 
'X-RAY DIFFRACTION' 1.929 1.993  1482 . 70  1412 100.0000 . 0.214 . . 0.210 . . . . . 0.168 . 20 . 0.969 0.933 0.317 
'X-RAY DIFFRACTION' 1.993 2.062  1423 . 71  1243 92.3401  . 0.191 . . 0.191 . . . . . 0.157 . 20 . 0.976 0.973 0.200 
'X-RAY DIFFRACTION' 2.062 2.140  1372 . 47  936  71.6472  . 0.176 . . 0.173 . . . . . 0.148 . 20 . 0.980 0.968 0.227 
'X-RAY DIFFRACTION' 2.140 2.227  1314 . 71  1243 100.0000 . 0.164 . . 0.161 . . . . . 0.138 . 20 . 0.983 0.970 0.220 
'X-RAY DIFFRACTION' 2.227 2.326  1276 . 66  818  69.2790  . 0.166 . . 0.164 . . . . . 0.142 . 20 . 0.983 0.980 0.194 
'X-RAY DIFFRACTION' 2.326 2.439  1215 . 70  1145 100.0000 . 0.169 . . 0.167 . . . . . 0.148 . 20 . 0.983 0.975 0.203 
'X-RAY DIFFRACTION' 2.439 2.571  1186 . 56  1130 100.0000 . 0.172 . . 0.167 . . . . . 0.148 . 20 . 0.983 0.955 0.274 
'X-RAY DIFFRACTION' 2.571 2.726  1095 . 57  1038 100.0000 . 0.163 . . 0.160 . . . . . 0.146 . 20 . 0.983 0.963 0.229 
'X-RAY DIFFRACTION' 2.726 2.914  1034 . 74  960  100.0000 . 0.167 . . 0.164 . . . . . 0.155 . 20 . 0.982 0.971 0.208 
'X-RAY DIFFRACTION' 2.914 3.146  989  . 46  943  100.0000 . 0.169 . . 0.166 . . . . . 0.162 . 20 . 0.983 0.972 0.215 
'X-RAY DIFFRACTION' 3.146 3.445  906  . 41  865  100.0000 . 0.160 . . 0.158 . . . . . 0.162 . 20 . 0.985 0.973 0.205 
'X-RAY DIFFRACTION' 3.445 3.849  811  . 40  771  100.0000 . 0.162 . . 0.161 . . . . . 0.175 . 20 . 0.986 0.982 0.174 
'X-RAY DIFFRACTION' 3.849 4.439  735  . 34  701  100.0000 . 0.139 . . 0.138 . . . . . 0.158 . 20 . 0.988 0.982 0.178 
'X-RAY DIFFRACTION' 4.439 5.424  645  . 27  618  100.0000 . 0.158 . . 0.153 . . . . . 0.178 . 20 . 0.986 0.978 0.249 
'X-RAY DIFFRACTION' 5.424 7.618  499  . 27  472  100.0000 . 0.222 . . 0.221 . . . . . 0.247 . 20 . 0.970 0.967 0.241 
'X-RAY DIFFRACTION' 7.618 46.011 316  . 14  302  100.0000 . 0.229 . . 0.228 . . . . . 0.288 . 20 . 0.969 0.946 0.237 
# 
_struct.entry_id                     8X5S 
_struct.title                        
'Crystal structure of shikimate kinase of Mycobacterium tuberculosis complex with shikimate-3-phosphate' 
_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        8X5S 
_struct_keywords.text            'Shikimate Kinase, Mycobacterium tuberculosis, shikimate-3-phosphate, TRANSFERASE' 
_struct_keywords.pdbx_keywords   TRANSFERASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 3 ? 
E N N 3 ? 
F N N 3 ? 
G N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    AROK_MYCTU 
_struct_ref.pdbx_db_accession          P9WPY3 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MAPKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGG
GAVTSPGVRAALAGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVR
HILSRLQVPSPSEAAT
;
_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              8X5S 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 176 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P9WPY3 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  176 
_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       176 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G 
# 
_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 GLY A 14  ? GLY A 27  ? GLY A 14  GLY A 27  1 ? 14 
HELX_P HELX_P2 AA2 THR A 33  ? GLY A 42  ? THR A 33  GLY A 42  1 ? 10 
HELX_P HELX_P3 AA3 SER A 44  ? ASP A 52  ? SER A 44  ASP A 52  1 ? 9  
HELX_P HELX_P4 AA4 GLY A 53  ? HIS A 72  ? GLY A 53  HIS A 72  1 ? 20 
HELX_P HELX_P5 AA5 GLY A 81  ? THR A 84  ? GLY A 81  THR A 84  5 ? 4  
HELX_P HELX_P6 AA6 SER A 85  ? LEU A 92  ? SER A 85  LEU A 92  1 ? 8  
HELX_P HELX_P7 AA7 SER A 103 ? THR A 111 ? SER A 103 THR A 111 1 ? 9  
HELX_P HELX_P8 AA8 ASP A 124 ? ALA A 144 ? ASP A 124 ALA A 144 1 ? 21 
HELX_P HELX_P9 AA9 ASN A 154 ? VAL A 168 ? ASN A 154 VAL A 168 1 ? 15 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          GLY 
_struct_mon_prot_cis.label_seq_id           122 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           GLY 
_struct_mon_prot_cis.auth_seq_id            122 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    123 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     123 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -1.58 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   5 
_struct_sheet.details          ? 
# 
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 ? parallel 
AA1 2 3 ? parallel 
AA1 3 4 ? parallel 
AA1 4 5 ? parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 30  ? ASP A 32  ? LEU A 30  ASP A 32  
AA1 2 VAL A 75  ? SER A 77  ? VAL A 75  SER A 77  
AA1 3 ALA A 5   ? VAL A 8   ? ALA A 5   VAL A 8   
AA1 4 VAL A 97  ? GLU A 101 ? VAL A 97  GLU A 101 
AA1 5 MET A 146 ? ASP A 149 ? MET A 146 ASP A 149 
# 
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 LEU A 31  ? N LEU A 31  O SER A 77  ? O SER A 77  
AA1 2 3 O LEU A 76  ? O LEU A 76  N LEU A 7   ? N LEU A 7   
AA1 3 4 N VAL A 6   ? N VAL A 6   O VAL A 98  ? O VAL A 98  
AA1 4 5 N GLU A 101 ? N GLU A 101 O VAL A 148 ? O VAL A 148 
# 
_pdbx_entry_details.entry_id                   8X5S 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ARG A 152 ? ? 60.02  -61.44 
2 1 ARG A 153 ? ? -37.50 121.93 
# 
loop_
_pdbx_validate_planes.id 
_pdbx_validate_planes.PDB_model_num 
_pdbx_validate_planes.auth_comp_id 
_pdbx_validate_planes.auth_asym_id 
_pdbx_validate_planes.auth_seq_id 
_pdbx_validate_planes.PDB_ins_code 
_pdbx_validate_planes.label_alt_id 
_pdbx_validate_planes.rmsd 
_pdbx_validate_planes.type 
1 1 ARG A 21 ? ? 0.080 'SIDE CHAIN' 
2 1 ARG A 40 ? A 0.090 'SIDE CHAIN' 
3 1 ARG A 59 ? ? 0.177 'SIDE CHAIN' 
4 1 ARG A 66 ? ? 0.121 'SIDE CHAIN' 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     352 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   G 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 444 ? 6.49  . 
2 1 O ? A HOH 445 ? 6.81  . 
3 1 O ? A HOH 446 ? 13.79 . 
# 
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 A MET 1   ? A MET 1   
2 1 Y 1 A SER 170 ? A SER 170 
3 1 Y 1 A PRO 171 ? A PRO 171 
4 1 Y 1 A SER 172 ? A SER 172 
5 1 Y 1 A GLU 173 ? A GLU 173 
6 1 Y 1 A ALA 174 ? A ALA 174 
7 1 Y 1 A ALA 175 ? A ALA 175 
8 1 Y 1 A THR 176 ? A THR 176 
# 
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  
GLN N    N N N 74  
GLN CA   C N S 75  
GLN C    C N N 76  
GLN O    O N N 77  
GLN CB   C N N 78  
GLN CG   C N N 79  
GLN CD   C N N 80  
GLN OE1  O N N 81  
GLN NE2  N N N 82  
GLN OXT  O N N 83  
GLN H    H N N 84  
GLN H2   H N N 85  
GLN HA   H N N 86  
GLN HB2  H N N 87  
GLN HB3  H N N 88  
GLN HG2  H N N 89  
GLN HG3  H N N 90  
GLN HE21 H N N 91  
GLN HE22 H N N 92  
GLN HXT  H N N 93  
GLU N    N N N 94  
GLU CA   C N S 95  
GLU C    C N N 96  
GLU O    O N N 97  
GLU CB   C N N 98  
GLU CG   C N N 99  
GLU CD   C N N 100 
GLU OE1  O N N 101 
GLU OE2  O N N 102 
GLU OXT  O N N 103 
GLU H    H N N 104 
GLU H2   H N N 105 
GLU HA   H N N 106 
GLU HB2  H N N 107 
GLU HB3  H N N 108 
GLU HG2  H N N 109 
GLU HG3  H N N 110 
GLU HE2  H N N 111 
GLU HXT  H N N 112 
GLY N    N N N 113 
GLY CA   C N N 114 
GLY C    C N N 115 
GLY O    O N N 116 
GLY OXT  O N N 117 
GLY H    H N N 118 
GLY H2   H N N 119 
GLY HA2  H N N 120 
GLY HA3  H N N 121 
GLY HXT  H N N 122 
HIS N    N N N 123 
HIS CA   C N S 124 
HIS C    C N N 125 
HIS O    O N N 126 
HIS CB   C N N 127 
HIS CG   C Y N 128 
HIS ND1  N Y N 129 
HIS CD2  C Y N 130 
HIS CE1  C Y N 131 
HIS NE2  N Y N 132 
HIS OXT  O N N 133 
HIS H    H N N 134 
HIS H2   H N N 135 
HIS HA   H N N 136 
HIS HB2  H N N 137 
HIS HB3  H N N 138 
HIS HD1  H N N 139 
HIS HD2  H N N 140 
HIS HE1  H N N 141 
HIS HE2  H N N 142 
HIS HXT  H N N 143 
HOH O    O N N 144 
HOH H1   H N N 145 
HOH H2   H N N 146 
ILE N    N N N 147 
ILE CA   C N S 148 
ILE C    C N N 149 
ILE O    O N N 150 
ILE CB   C N S 151 
ILE CG1  C N N 152 
ILE CG2  C N N 153 
ILE CD1  C N N 154 
ILE OXT  O N N 155 
ILE H    H N N 156 
ILE H2   H N N 157 
ILE HA   H N N 158 
ILE HB   H N N 159 
ILE HG12 H N N 160 
ILE HG13 H N N 161 
ILE HG21 H N N 162 
ILE HG22 H N N 163 
ILE HG23 H N N 164 
ILE HD11 H N N 165 
ILE HD12 H N N 166 
ILE HD13 H N N 167 
ILE HXT  H N N 168 
LEU N    N N N 169 
LEU CA   C N S 170 
LEU C    C N N 171 
LEU O    O N N 172 
LEU CB   C N N 173 
LEU CG   C N N 174 
LEU CD1  C N N 175 
LEU CD2  C N N 176 
LEU OXT  O N N 177 
LEU H    H N N 178 
LEU H2   H N N 179 
LEU HA   H N N 180 
LEU HB2  H N N 181 
LEU HB3  H N N 182 
LEU HG   H N N 183 
LEU HD11 H N N 184 
LEU HD12 H N N 185 
LEU HD13 H N N 186 
LEU HD21 H N N 187 
LEU HD22 H N N 188 
LEU HD23 H N N 189 
LEU HXT  H N N 190 
LYS N    N N N 191 
LYS CA   C N S 192 
LYS C    C N N 193 
LYS O    O N N 194 
LYS CB   C N N 195 
LYS CG   C N N 196 
LYS CD   C N N 197 
LYS CE   C N N 198 
LYS NZ   N N N 199 
LYS OXT  O N N 200 
LYS H    H N N 201 
LYS H2   H N N 202 
LYS HA   H N N 203 
LYS HB2  H N N 204 
LYS HB3  H N N 205 
LYS HG2  H N N 206 
LYS HG3  H N N 207 
LYS HD2  H N N 208 
LYS HD3  H N N 209 
LYS HE2  H N N 210 
LYS HE3  H N N 211 
LYS HZ1  H N N 212 
LYS HZ2  H N N 213 
LYS HZ3  H N N 214 
LYS HXT  H N N 215 
MET N    N N N 216 
MET CA   C N S 217 
MET C    C N N 218 
MET O    O N N 219 
MET CB   C N N 220 
MET CG   C N N 221 
MET SD   S N N 222 
MET CE   C N N 223 
MET OXT  O N N 224 
MET H    H N N 225 
MET H2   H N N 226 
MET HA   H N N 227 
MET HB2  H N N 228 
MET HB3  H N N 229 
MET HG2  H N N 230 
MET HG3  H N N 231 
MET HE1  H N N 232 
MET HE2  H N N 233 
MET HE3  H N N 234 
MET HXT  H N N 235 
PHE N    N N N 236 
PHE CA   C N S 237 
PHE C    C N N 238 
PHE O    O N N 239 
PHE CB   C N N 240 
PHE CG   C Y N 241 
PHE CD1  C Y N 242 
PHE CD2  C Y N 243 
PHE CE1  C Y N 244 
PHE CE2  C Y N 245 
PHE CZ   C Y N 246 
PHE OXT  O N N 247 
PHE H    H N N 248 
PHE H2   H N N 249 
PHE HA   H N N 250 
PHE HB2  H N N 251 
PHE HB3  H N N 252 
PHE HD1  H N N 253 
PHE HD2  H N N 254 
PHE HE1  H N N 255 
PHE HE2  H N N 256 
PHE HZ   H N N 257 
PHE HXT  H N N 258 
PRO N    N N N 259 
PRO CA   C N S 260 
PRO C    C N N 261 
PRO O    O N N 262 
PRO CB   C N N 263 
PRO CG   C N N 264 
PRO CD   C N N 265 
PRO OXT  O N N 266 
PRO H    H N N 267 
PRO HA   H N N 268 
PRO HB2  H N N 269 
PRO HB3  H N N 270 
PRO HG2  H N N 271 
PRO HG3  H N N 272 
PRO HD2  H N N 273 
PRO HD3  H N N 274 
PRO HXT  H N N 275 
S3P C1   C N N 276 
S3P C2   C N N 277 
S3P C3   C N R 278 
S3P C4   C N S 279 
S3P C5   C N R 280 
S3P C6   C N N 281 
S3P C7   C N N 282 
S3P O1   O N N 283 
S3P O2   O N N 284 
S3P O3   O N N 285 
S3P O4   O N N 286 
S3P O5   O N N 287 
S3P P1   P N N 288 
S3P O6   O N N 289 
S3P O7   O N N 290 
S3P O8   O N N 291 
S3P H2   H N N 292 
S3P H3   H N N 293 
S3P H4   H N N 294 
S3P H5   H N N 295 
S3P H61  H N N 296 
S3P H62  H N N 297 
S3P HO2  H N N 298 
S3P HO3  H N N 299 
S3P HO4  H N N 300 
S3P HO7  H N N 301 
S3P HO8  H N N 302 
SER N    N N N 303 
SER CA   C N S 304 
SER C    C N N 305 
SER O    O N N 306 
SER CB   C N N 307 
SER OG   O N N 308 
SER OXT  O N N 309 
SER H    H N N 310 
SER H2   H N N 311 
SER HA   H N N 312 
SER HB2  H N N 313 
SER HB3  H N N 314 
SER HG   H N N 315 
SER HXT  H N N 316 
SO4 S    S N N 317 
SO4 O1   O N N 318 
SO4 O2   O N N 319 
SO4 O3   O N N 320 
SO4 O4   O N N 321 
THR N    N N N 322 
THR CA   C N S 323 
THR C    C N N 324 
THR O    O N N 325 
THR CB   C N R 326 
THR OG1  O N N 327 
THR CG2  C N N 328 
THR OXT  O N N 329 
THR H    H N N 330 
THR H2   H N N 331 
THR HA   H N N 332 
THR HB   H N N 333 
THR HG1  H N N 334 
THR HG21 H N N 335 
THR HG22 H N N 336 
THR HG23 H N N 337 
THR HXT  H N N 338 
TYR N    N N N 339 
TYR CA   C N S 340 
TYR C    C N N 341 
TYR O    O N N 342 
TYR CB   C N N 343 
TYR CG   C Y N 344 
TYR CD1  C Y N 345 
TYR CD2  C Y N 346 
TYR CE1  C Y N 347 
TYR CE2  C Y N 348 
TYR CZ   C Y N 349 
TYR OH   O N N 350 
TYR OXT  O N N 351 
TYR H    H N N 352 
TYR H2   H N N 353 
TYR HA   H N N 354 
TYR HB2  H N N 355 
TYR HB3  H N N 356 
TYR HD1  H N N 357 
TYR HD2  H N N 358 
TYR HE1  H N N 359 
TYR HE2  H N N 360 
TYR HH   H N N 361 
TYR HXT  H N N 362 
VAL N    N N N 363 
VAL CA   C N S 364 
VAL C    C N N 365 
VAL O    O N N 366 
VAL CB   C N N 367 
VAL CG1  C N N 368 
VAL CG2  C N N 369 
VAL OXT  O N N 370 
VAL H    H N N 371 
VAL H2   H N N 372 
VAL HA   H N N 373 
VAL HB   H N N 374 
VAL HG11 H N N 375 
VAL HG12 H N N 376 
VAL HG13 H N N 377 
VAL HG21 H N N 378 
VAL HG22 H N N 379 
VAL HG23 H N N 380 
VAL HXT  H N N 381 
# 
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  
GLN N   CA   sing N N 70  
GLN N   H    sing N N 71  
GLN N   H2   sing N N 72  
GLN CA  C    sing N N 73  
GLN CA  CB   sing N N 74  
GLN CA  HA   sing N N 75  
GLN C   O    doub N N 76  
GLN C   OXT  sing N N 77  
GLN CB  CG   sing N N 78  
GLN CB  HB2  sing N N 79  
GLN CB  HB3  sing N N 80  
GLN CG  CD   sing N N 81  
GLN CG  HG2  sing N N 82  
GLN CG  HG3  sing N N 83  
GLN CD  OE1  doub N N 84  
GLN CD  NE2  sing N N 85  
GLN NE2 HE21 sing N N 86  
GLN NE2 HE22 sing N N 87  
GLN OXT HXT  sing N N 88  
GLU N   CA   sing N N 89  
GLU N   H    sing N N 90  
GLU N   H2   sing N N 91  
GLU CA  C    sing N N 92  
GLU CA  CB   sing N N 93  
GLU CA  HA   sing N N 94  
GLU C   O    doub N N 95  
GLU C   OXT  sing N N 96  
GLU CB  CG   sing N N 97  
GLU CB  HB2  sing N N 98  
GLU CB  HB3  sing N N 99  
GLU CG  CD   sing N N 100 
GLU CG  HG2  sing N N 101 
GLU CG  HG3  sing N N 102 
GLU CD  OE1  doub N N 103 
GLU CD  OE2  sing N N 104 
GLU OE2 HE2  sing N N 105 
GLU OXT HXT  sing N N 106 
GLY N   CA   sing N N 107 
GLY N   H    sing N N 108 
GLY N   H2   sing N N 109 
GLY CA  C    sing N N 110 
GLY CA  HA2  sing N N 111 
GLY CA  HA3  sing N N 112 
GLY C   O    doub N N 113 
GLY C   OXT  sing N N 114 
GLY OXT HXT  sing N N 115 
HIS N   CA   sing N N 116 
HIS N   H    sing N N 117 
HIS N   H2   sing N N 118 
HIS CA  C    sing N N 119 
HIS CA  CB   sing N N 120 
HIS CA  HA   sing N N 121 
HIS C   O    doub N N 122 
HIS C   OXT  sing N N 123 
HIS CB  CG   sing N N 124 
HIS CB  HB2  sing N N 125 
HIS CB  HB3  sing N N 126 
HIS CG  ND1  sing Y N 127 
HIS CG  CD2  doub Y N 128 
HIS ND1 CE1  doub Y N 129 
HIS ND1 HD1  sing N N 130 
HIS CD2 NE2  sing Y N 131 
HIS CD2 HD2  sing N N 132 
HIS CE1 NE2  sing Y N 133 
HIS CE1 HE1  sing N N 134 
HIS NE2 HE2  sing N N 135 
HIS OXT HXT  sing N N 136 
HOH O   H1   sing N N 137 
HOH O   H2   sing N N 138 
ILE N   CA   sing N N 139 
ILE N   H    sing N N 140 
ILE N   H2   sing N N 141 
ILE CA  C    sing N N 142 
ILE CA  CB   sing N N 143 
ILE CA  HA   sing N N 144 
ILE C   O    doub N N 145 
ILE C   OXT  sing N N 146 
ILE CB  CG1  sing N N 147 
ILE CB  CG2  sing N N 148 
ILE CB  HB   sing N N 149 
ILE CG1 CD1  sing N N 150 
ILE CG1 HG12 sing N N 151 
ILE CG1 HG13 sing N N 152 
ILE CG2 HG21 sing N N 153 
ILE CG2 HG22 sing N N 154 
ILE CG2 HG23 sing N N 155 
ILE CD1 HD11 sing N N 156 
ILE CD1 HD12 sing N N 157 
ILE CD1 HD13 sing N N 158 
ILE OXT HXT  sing N N 159 
LEU N   CA   sing N N 160 
LEU N   H    sing N N 161 
LEU N   H2   sing N N 162 
LEU CA  C    sing N N 163 
LEU CA  CB   sing N N 164 
LEU CA  HA   sing N N 165 
LEU C   O    doub N N 166 
LEU C   OXT  sing N N 167 
LEU CB  CG   sing N N 168 
LEU CB  HB2  sing N N 169 
LEU CB  HB3  sing N N 170 
LEU CG  CD1  sing N N 171 
LEU CG  CD2  sing N N 172 
LEU CG  HG   sing N N 173 
LEU CD1 HD11 sing N N 174 
LEU CD1 HD12 sing N N 175 
LEU CD1 HD13 sing N N 176 
LEU CD2 HD21 sing N N 177 
LEU CD2 HD22 sing N N 178 
LEU CD2 HD23 sing N N 179 
LEU OXT HXT  sing N N 180 
LYS N   CA   sing N N 181 
LYS N   H    sing N N 182 
LYS N   H2   sing N N 183 
LYS CA  C    sing N N 184 
LYS CA  CB   sing N N 185 
LYS CA  HA   sing N N 186 
LYS C   O    doub N N 187 
LYS C   OXT  sing N N 188 
LYS CB  CG   sing N N 189 
LYS CB  HB2  sing N N 190 
LYS CB  HB3  sing N N 191 
LYS CG  CD   sing N N 192 
LYS CG  HG2  sing N N 193 
LYS CG  HG3  sing N N 194 
LYS CD  CE   sing N N 195 
LYS CD  HD2  sing N N 196 
LYS CD  HD3  sing N N 197 
LYS CE  NZ   sing N N 198 
LYS CE  HE2  sing N N 199 
LYS CE  HE3  sing N N 200 
LYS NZ  HZ1  sing N N 201 
LYS NZ  HZ2  sing N N 202 
LYS NZ  HZ3  sing N N 203 
LYS OXT HXT  sing N N 204 
MET N   CA   sing N N 205 
MET N   H    sing N N 206 
MET N   H2   sing N N 207 
MET CA  C    sing N N 208 
MET CA  CB   sing N N 209 
MET CA  HA   sing N N 210 
MET C   O    doub N N 211 
MET C   OXT  sing N N 212 
MET CB  CG   sing N N 213 
MET CB  HB2  sing N N 214 
MET CB  HB3  sing N N 215 
MET CG  SD   sing N N 216 
MET CG  HG2  sing N N 217 
MET CG  HG3  sing N N 218 
MET SD  CE   sing N N 219 
MET CE  HE1  sing N N 220 
MET CE  HE2  sing N N 221 
MET CE  HE3  sing N N 222 
MET OXT HXT  sing N N 223 
PHE N   CA   sing N N 224 
PHE N   H    sing N N 225 
PHE N   H2   sing N N 226 
PHE CA  C    sing N N 227 
PHE CA  CB   sing N N 228 
PHE CA  HA   sing N N 229 
PHE C   O    doub N N 230 
PHE C   OXT  sing N N 231 
PHE CB  CG   sing N N 232 
PHE CB  HB2  sing N N 233 
PHE CB  HB3  sing N N 234 
PHE CG  CD1  doub Y N 235 
PHE CG  CD2  sing Y N 236 
PHE CD1 CE1  sing Y N 237 
PHE CD1 HD1  sing N N 238 
PHE CD2 CE2  doub Y N 239 
PHE CD2 HD2  sing N N 240 
PHE CE1 CZ   doub Y N 241 
PHE CE1 HE1  sing N N 242 
PHE CE2 CZ   sing Y N 243 
PHE CE2 HE2  sing N N 244 
PHE CZ  HZ   sing N N 245 
PHE OXT HXT  sing N N 246 
PRO N   CA   sing N N 247 
PRO N   CD   sing N N 248 
PRO N   H    sing N N 249 
PRO CA  C    sing N N 250 
PRO CA  CB   sing N N 251 
PRO CA  HA   sing N N 252 
PRO C   O    doub N N 253 
PRO C   OXT  sing N N 254 
PRO CB  CG   sing N N 255 
PRO CB  HB2  sing N N 256 
PRO CB  HB3  sing N N 257 
PRO CG  CD   sing N N 258 
PRO CG  HG2  sing N N 259 
PRO CG  HG3  sing N N 260 
PRO CD  HD2  sing N N 261 
PRO CD  HD3  sing N N 262 
PRO OXT HXT  sing N N 263 
S3P C1  C2   doub N N 264 
S3P C1  C6   sing N N 265 
S3P C1  C7   sing N N 266 
S3P C2  C3   sing N N 267 
S3P C2  H2   sing N N 268 
S3P C3  C4   sing N N 269 
S3P C3  O1   sing N N 270 
S3P C3  H3   sing N N 271 
S3P C4  C5   sing N N 272 
S3P C4  O2   sing N N 273 
S3P C4  H4   sing N N 274 
S3P C5  C6   sing N N 275 
S3P C5  O3   sing N N 276 
S3P C5  H5   sing N N 277 
S3P C6  H61  sing N N 278 
S3P C6  H62  sing N N 279 
S3P C7  O4   sing N N 280 
S3P C7  O5   doub N N 281 
S3P O1  P1   sing N N 282 
S3P O2  HO2  sing N N 283 
S3P O3  HO3  sing N N 284 
S3P O4  HO4  sing N N 285 
S3P P1  O6   doub N N 286 
S3P P1  O7   sing N N 287 
S3P P1  O8   sing N N 288 
S3P O7  HO7  sing N N 289 
S3P O8  HO8  sing N N 290 
SER N   CA   sing N N 291 
SER N   H    sing N N 292 
SER N   H2   sing N N 293 
SER CA  C    sing N N 294 
SER CA  CB   sing N N 295 
SER CA  HA   sing N N 296 
SER C   O    doub N N 297 
SER C   OXT  sing N N 298 
SER CB  OG   sing N N 299 
SER CB  HB2  sing N N 300 
SER CB  HB3  sing N N 301 
SER OG  HG   sing N N 302 
SER OXT HXT  sing N N 303 
SO4 S   O1   doub N N 304 
SO4 S   O2   doub N N 305 
SO4 S   O3   sing N N 306 
SO4 S   O4   sing N N 307 
THR N   CA   sing N N 308 
THR N   H    sing N N 309 
THR N   H2   sing N N 310 
THR CA  C    sing N N 311 
THR CA  CB   sing N N 312 
THR CA  HA   sing N N 313 
THR C   O    doub N N 314 
THR C   OXT  sing N N 315 
THR CB  OG1  sing N N 316 
THR CB  CG2  sing N N 317 
THR CB  HB   sing N N 318 
THR OG1 HG1  sing N N 319 
THR CG2 HG21 sing N N 320 
THR CG2 HG22 sing N N 321 
THR CG2 HG23 sing N N 322 
THR OXT HXT  sing N N 323 
TYR N   CA   sing N N 324 
TYR N   H    sing N N 325 
TYR N   H2   sing N N 326 
TYR CA  C    sing N N 327 
TYR CA  CB   sing N N 328 
TYR CA  HA   sing N N 329 
TYR C   O    doub N N 330 
TYR C   OXT  sing N N 331 
TYR CB  CG   sing N N 332 
TYR CB  HB2  sing N N 333 
TYR CB  HB3  sing N N 334 
TYR CG  CD1  doub Y N 335 
TYR CG  CD2  sing Y N 336 
TYR CD1 CE1  sing Y N 337 
TYR CD1 HD1  sing N N 338 
TYR CD2 CE2  doub Y N 339 
TYR CD2 HD2  sing N N 340 
TYR CE1 CZ   doub Y N 341 
TYR CE1 HE1  sing N N 342 
TYR CE2 CZ   sing Y N 343 
TYR CE2 HE2  sing N N 344 
TYR CZ  OH   sing N N 345 
TYR OH  HH   sing N N 346 
TYR OXT HXT  sing N N 347 
VAL N   CA   sing N N 348 
VAL N   H    sing N N 349 
VAL N   H2   sing N N 350 
VAL CA  C    sing N N 351 
VAL CA  CB   sing N N 352 
VAL CA  HA   sing N N 353 
VAL C   O    doub N N 354 
VAL C   OXT  sing N N 355 
VAL CB  CG1  sing N N 356 
VAL CB  CG2  sing N N 357 
VAL CB  HB   sing N N 358 
VAL CG1 HG11 sing N N 359 
VAL CG1 HG12 sing N N 360 
VAL CG1 HG13 sing N N 361 
VAL CG2 HG21 sing N N 362 
VAL CG2 HG22 sing N N 363 
VAL CG2 HG23 sing N N 364 
VAL OXT HXT  sing N N 365 
# 
_pdbx_audit_support.funding_organization   'Indian Council of Medical Research' 
_pdbx_audit_support.country                India 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2IYX 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8X5S 
_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]   0.016828 
_atom_sites.fract_transf_matrix[1][2]   0.009716 
_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]   0.019432 
_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]   0.009780 
_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  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651   51.6512 0.2156   
H   1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408   57.7997 0.0030   
MG  12 12 5.4265  2.8275  2.1759 79.2611 1.2283 0.3808  2.3099   7.1937  0.9329   
N   7  7  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672   0.5826  -11.5379 
O   8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671   32.9089 0.2508   
O-1 8  9  4.1952  12.8573 1.6411 4.1724  1.5281 47.0179 -20.3246 -0.0140 21.9602  
P   15 15 6.4348  1.9067  4.1793 27.1570 1.7801 0.5260  1.4909   68.1645 1.2643   
S   16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863   56.1720 1.0455   
# 
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   . ALA A 1 2   ? 30.909 -28.252 -1.666  1.000 57.101  0  2   ALA A N   1 ? 
ATOM   2    C CA  . ALA A 1 2   ? 30.746 -26.853 -1.186  1.000 49.413  0  2   ALA A CA  1 ? 
ATOM   3    C C   . ALA A 1 2   ? 29.366 -26.712 -0.567  1.000 43.811  0  2   ALA A C   1 ? 
ATOM   4    O O   . ALA A 1 2   ? 28.433 -27.397 -0.974  1.000 42.284  0  2   ALA A O   1 ? 
ATOM   5    C CB  . ALA A 1 2   ? 30.913 -25.845 -2.295  1.000 43.150  0  2   ALA A CB  1 ? 
ATOM   6    N N   . PRO A 1 3   ? 29.195 -25.850 0.452   1.000 33.770  0  3   PRO A N   1 ? 
ATOM   7    C CA  . PRO A 1 3   ? 27.904 -25.755 1.134   1.000 27.501  0  3   PRO A CA  1 ? 
ATOM   8    C C   . PRO A 1 3   ? 26.782 -25.240 0.249   1.000 30.145  0  3   PRO A C   1 ? 
ATOM   9    O O   . PRO A 1 3   ? 27.002 -24.363 -0.591  1.000 31.828  0  3   PRO A O   1 ? 
ATOM   10   C CB  . PRO A 1 3   ? 28.216 -24.771 2.291   1.000 30.150  0  3   PRO A CB  1 ? 
ATOM   11   C CG  . PRO A 1 3   ? 29.710 -24.869 2.452   1.000 30.145  0  3   PRO A CG  1 ? 
ATOM   12   C CD  . PRO A 1 3   ? 30.234 -24.997 1.057   1.000 32.590  0  3   PRO A CD  1 ? 
ATOM   13   N N   . LYS A 1 4   ? 25.556 -25.718 0.515   1.000 28.927  0  4   LYS A N   1 ? 
ATOM   14   C CA  . LYS A 1 4   ? 24.377 -25.152 -0.114  1.000 30.872  0  4   LYS A CA  1 ? 
ATOM   15   C C   . LYS A 1 4   ? 24.161 -23.724 0.352   1.000 30.667  0  4   LYS A C   1 ? 
ATOM   16   O O   . LYS A 1 4   ? 23.565 -22.908 -0.360  1.000 32.465  0  4   LYS A O   1 ? 
ATOM   17   C CB  . LYS A 1 4   ? 23.094 -25.893 0.280   1.000 33.451  0  4   LYS A CB  1 ? 
ATOM   18   C CG  . LYS A 1 4   ? 23.065 -27.368 -0.011  1.000 37.519  0  4   LYS A CG  1 ? 
ATOM   19   C CD  . LYS A 1 4   ? 23.704 -27.796 -1.308  1.000 40.615  0  4   LYS A CD  1 ? 
ATOM   20   C CE  . LYS A 1 4   ? 23.555 -29.295 -1.484  1.000 50.225  0  4   LYS A CE  1 ? 
ATOM   21   N NZ  . LYS A 1 4   ? 22.535 -29.618 -2.475  1.000 50.157  0  4   LYS A NZ  1 ? 
ATOM   22   N N   . ALA A 1 5   ? 24.527 -23.464 1.624   1.000 28.110  0  5   ALA A N   1 ? 
ATOM   23   C CA  . ALA A 1 5   ? 24.457 -22.124 2.167   1.000 27.335  0  5   ALA A CA  1 ? 
ATOM   24   C C   . ALA A 1 5   ? 25.368 -22.024 3.383   1.000 25.686  0  5   ALA A C   1 ? 
ATOM   25   O O   . ALA A 1 5   ? 25.589 -22.985 4.106   1.000 24.872  0  5   ALA A O   1 ? 
ATOM   26   C CB  . ALA A 1 5   ? 23.050 -21.781 2.543   1.000 28.468  0  5   ALA A CB  1 ? 
ATOM   27   N N   . VAL A 1 6   ? 25.874 -20.822 3.565   1.000 25.395  0  6   VAL A N   1 ? 
ATOM   28   C CA  . VAL A 1 6   ? 26.704 -20.463 4.681   1.000 25.242  0  6   VAL A CA  1 ? 
ATOM   29   C C   . VAL A 1 6   ? 25.948 -19.399 5.445   1.000 24.219  0  6   VAL A C   1 ? 
ATOM   30   O O   . VAL A 1 6   ? 25.542 -18.410 4.841   1.000 26.701  0  6   VAL A O   1 ? 
ATOM   31   C CB  . VAL A 1 6   ? 28.042 -19.898 4.190   1.000 25.013  0  6   VAL A CB  1 ? 
ATOM   32   C CG1 . VAL A 1 6   ? 28.906 -19.534 5.389   1.000 24.447  0  6   VAL A CG1 1 ? 
ATOM   33   C CG2 . VAL A 1 6   ? 28.728 -20.845 3.227   1.000 24.692  0  6   VAL A CG2 1 ? 
ATOM   34   N N   . LEU A 1 7   ? 25.818 -19.600 6.757   1.000 23.427  0  7   LEU A N   1 ? 
ATOM   35   C CA  . LEU A 1 7   ? 25.114 -18.661 7.615   1.000 24.285  0  7   LEU A CA  1 ? 
ATOM   36   C C   . LEU A 1 7   ? 26.120 -17.872 8.421   1.000 22.685  0  7   LEU A C   1 ? 
ATOM   37   O O   . LEU A 1 7   ? 27.033 -18.471 9.012   1.000 22.680  0  7   LEU A O   1 ? 
ATOM   38   C CB  . LEU A 1 7   ? 24.182 -19.366 8.588   1.000 27.728  0  7   LEU A CB  1 ? 
ATOM   39   C CG  . LEU A 1 7   ? 23.095 -20.244 7.968   1.000 30.062  0  7   LEU A CG  1 ? 
ATOM   40   C CD1 . LEU A 1 7   ? 22.243 -20.916 9.046   1.000 31.952  0  7   LEU A CD1 1 ? 
ATOM   41   C CD2 . LEU A 1 7   ? 22.213 -19.427 7.038   1.000 36.913  0  7   LEU A CD2 1 ? 
ATOM   42   N N   . VAL A 1 8   ? 25.909 -16.553 8.456   1.000 22.955  0  8   VAL A N   1 ? 
ATOM   43   C CA  . VAL A 1 8   ? 26.767 -15.654 9.203   1.000 22.861  0  8   VAL A CA  1 ? 
ATOM   44   C C   . VAL A 1 8   ? 25.890 -14.710 10.013  1.000 24.307  0  8   VAL A C   1 ? 
ATOM   45   O O   . VAL A 1 8   ? 24.766 -14.402 9.633   1.000 24.659  0  8   VAL A O   1 ? 
ATOM   46   C CB  . VAL A 1 8   ? 27.763 -14.839 8.364   1.000 23.099  0  8   VAL A CB  1 ? 
ATOM   47   C CG1 . VAL A 1 8   ? 28.745 -15.769 7.629   1.000 24.449  0  8   VAL A CG1 1 ? 
ATOM   48   C CG2 . VAL A 1 8   ? 27.091 -13.841 7.408   1.000 22.371  0  8   VAL A CG2 1 ? 
ATOM   49   N N   . GLY A 1 9   ? 26.438 -14.253 11.134  1.000 23.714  0  9   GLY A N   1 ? 
ATOM   50   C CA  . GLY A 1 9   ? 25.710 -13.338 11.988  1.000 25.813  0  9   GLY A CA  1 ? 
ATOM   51   C C   . GLY A 1 9   ? 26.228 -13.416 13.412  1.000 25.357  0  9   GLY A C   1 ? 
ATOM   52   O O   . GLY A 1 9   ? 27.061 -14.250 13.764  1.000 22.344  0  9   GLY A O   1 ? 
ATOM   53   N N   . LEU A 1 10  ? 25.817 -12.425 14.205  1.000 25.202  0  10  LEU A N   1 ? 
ATOM   54   C CA  . LEU A 1 10  ? 26.241 -12.337 15.579  1.000 25.038  0  10  LEU A CA  1 ? 
ATOM   55   C C   . LEU A 1 10  ? 25.779 -13.559 16.354  1.000 24.077  0  10  LEU A C   1 ? 
ATOM   56   O O   . LEU A 1 10  ? 24.767 -14.179 16.046  1.000 25.774  0  10  LEU A O   1 ? 
ATOM   57   C CB  . LEU A 1 10  ? 25.647 -11.060 16.190  1.000 26.742  0  10  LEU A CB  1 ? 
ATOM   58   C CG  . LEU A 1 10  ? 26.182 -9.734  15.646  1.000 27.812  0  10  LEU A CG  1 ? 
ATOM   59   C CD1 . LEU A 1 10  ? 25.310 -8.561  16.073  1.000 31.553  0  10  LEU A CD1 1 ? 
ATOM   60   C CD2 . LEU A 1 10  ? 27.574 -9.545  16.103  1.000 27.564  0  10  LEU A CD2 1 ? 
ATOM   61   N N   . PRO A 1 11  ? 26.412 -13.828 17.509  1.000 25.064  0  11  PRO A N   1 ? 
ATOM   62   C CA  . PRO A 1 11  ? 25.779 -14.657 18.520  1.000 26.893  0  11  PRO A CA  1 ? 
ATOM   63   C C   . PRO A 1 11  ? 24.371 -14.117 18.756  1.000 22.545  0  11  PRO A C   1 ? 
ATOM   64   O O   . PRO A 1 11  ? 24.147 -12.910 18.858  1.000 26.014  0  11  PRO A O   1 ? 
ATOM   65   C CB  . PRO A 1 11  ? 26.668 -14.548 19.724  1.000 29.157  0  11  PRO A CB  1 ? 
ATOM   66   C CG  . PRO A 1 11  ? 27.565 -13.394 19.410  1.000 31.054  0  11  PRO A CG  1 ? 
ATOM   67   C CD  . PRO A 1 11  ? 27.686 -13.226 17.943  1.000 29.012  0  11  PRO A CD  1 ? 
ATOM   68   N N   . GLY A 1 12  ? 23.425 -15.036 18.812  1.000 23.437  0  12  GLY A N   1 ? 
ATOM   69   C CA  . GLY A 1 12  ? 22.038 -14.667 19.088  1.000 26.640  0  12  GLY A CA  1 ? 
ATOM   70   C C   . GLY A 1 12  ? 21.226 -14.368 17.829  1.000 29.169  0  12  GLY A C   1 ? 
ATOM   71   O O   . GLY A 1 12  ? 20.034 -14.089 17.932  1.000 30.640  0  12  GLY A O   1 ? 
ATOM   72   N N   . SER A 1 13  ? 21.842 -14.433 16.636  1.000 25.669  0  13  SER A N   1 ? 
ATOM   73   C CA  . SER A 1 13  ? 21.136 -14.118 15.400  1.000 25.268  0  13  SER A CA  1 ? 
ATOM   74   C C   . SER A 1 13  ? 20.260 -15.263 14.909  1.000 25.603  0  13  SER A C   1 ? 
ATOM   75   O O   . SER A 1 13  ? 19.482 -15.069 13.987  1.000 29.988  0  13  SER A O   1 ? 
ATOM   76   C CB  . SER A 1 13  ? 22.117 -13.649 14.329  1.000 25.669  0  13  SER A CB  1 ? 
ATOM   77   O OG  . SER A 1 13  ? 23.109 -14.603 13.998  1.000 24.497  0  13  SER A OG  1 ? 
ATOM   78   N N   . GLY A 1 14  ? 20.456 -16.473 15.432  1.000 26.730  0  14  GLY A N   1 ? 
ATOM   79   C CA  . GLY A 1 14  ? 19.672 -17.634 15.024  1.000 29.497  0  14  GLY A CA  1 ? 
ATOM   80   C C   . GLY A 1 14  ? 20.432 -18.645 14.167  1.000 30.721  0  14  GLY A C   1 ? 
ATOM   81   O O   . GLY A 1 14  ? 19.826 -19.523 13.555  1.000 29.883  0  14  GLY A O   1 ? 
ATOM   82   N N   . LYS A 1 15  ? 21.766 -18.561 14.121  1.000 26.867  0  15  LYS A N   1 ? 
ATOM   83   C CA  . LYS A 1 15  ? 22.515 -19.466 13.277  1.000 24.460  0  15  LYS A CA  1 ? 
ATOM   84   C C   . LYS A 1 15  ? 22.190 -20.925 13.597  1.000 30.270  0  15  LYS A C   1 ? 
ATOM   85   O O   . LYS A 1 15  ? 22.077 -21.728 12.685  1.000 29.096  0  15  LYS A O   1 ? 
ATOM   86   C CB  . LYS A 1 15  ? 24.017 -19.171 13.375  1.000 25.171  0  15  LYS A CB  1 ? 
ATOM   87   C CG  . LYS A 1 15  ? 24.455 -17.805 12.886  1.000 24.905  0  15  LYS A CG  1 ? 
ATOM   88   C CD  . LYS A 1 15  ? 25.979 -17.688 12.865  1.000 25.538  0  15  LYS A CD  1 ? 
ATOM   89   C CE  . LYS A 1 15  ? 26.659 -17.748 14.198  1.000 25.869  0  15  LYS A CE  1 ? 
ATOM   90   N NZ  . LYS A 1 15  ? 26.238 -16.725 15.151  1.000 27.165  0  15  LYS A NZ  1 ? 
ATOM   91   N N   . SER A 1 16  ? 22.132 -21.297 14.882  1.000 29.014  0  16  SER A N   1 ? 
ATOM   92   C CA  . SER A 1 16  ? 21.933 -22.693 15.257  1.000 33.204  0  16  SER A CA  1 ? 
ATOM   93   C C   . SER A 1 16  ? 20.562 -23.194 14.834  1.000 32.793  0  16  SER A C   1 ? 
ATOM   94   O O   . SER A 1 16  ? 20.422 -24.261 14.240  1.000 38.274  0  16  SER A O   1 ? 
ATOM   95   C CB  . SER A 1 16  ? 22.089 -22.899 16.747  1.000 35.615  0  16  SER A CB  1 ? 
ATOM   96   O OG  . SER A 1 16  ? 23.472 -23.077 16.973  1.000 44.948  0  16  SER A OG  1 ? 
ATOM   97   N N   . THR A 1 17  ? 19.572 -22.370 15.117  1.000 30.394  0  17  THR A N   1 ? 
ATOM   98   C CA  . THR A 1 17  ? 18.195 -22.784 14.949  1.000 38.782  0  17  THR A CA  1 ? 
ATOM   99   C C   . THR A 1 17  ? 17.832 -22.759 13.465  1.000 35.043  0  17  THR A C   1 ? 
ATOM   100  O O   . THR A 1 17  ? 17.262 -23.705 12.940  1.000 34.471  0  17  THR A O   1 ? 
ATOM   101  C CB  . THR A 1 17  ? 17.322 -21.854 15.773  1.000 38.930  0  17  THR A CB  1 ? 
ATOM   102  O OG1 . THR A 1 17  ? 17.669 -20.573 15.284  1.000 54.196  0  17  THR A OG1 1 ? 
ATOM   103  C CG2 . THR A 1 17  ? 17.623 -21.974 17.251  1.000 36.214  0  17  THR A CG2 1 ? 
ATOM   104  N N   . ILE A 1 18  ? 18.141 -21.645 12.811  1.000 34.491  0  18  ILE A N   1 ? 
ATOM   105  C CA  . ILE A 1 18  ? 17.964 -21.550 11.364  1.000 32.880  0  18  ILE A CA  1 ? 
ATOM   106  C C   . ILE A 1 18  ? 18.784 -22.626 10.656  1.000 33.962  0  18  ILE A C   1 ? 
ATOM   107  O O   . ILE A 1 18  ? 18.290 -23.233 9.701   1.000 36.291  0  18  ILE A O   1 ? 
ATOM   108  C CB  . ILE A 1 18  ? 18.244 -20.124 10.876  1.000 33.415  0  18  ILE A CB  1 ? 
ATOM   109  C CG1 . ILE A 1 18  ? 17.404 -19.092 11.617  1.000 34.074  0  18  ILE A CG1 1 ? 
ATOM   110  C CG2 . ILE A 1 18  ? 18.087 -20.025 9.358   1.000 34.535  0  18  ILE A CG2 1 ? 
ATOM   111  C CD1 . ILE A 1 18  ? 15.901 -19.326 11.597  1.000 39.977  0  18  ILE A CD1 1 ? 
ATOM   112  N N   . GLY A 1 19  ? 20.043 -22.859 11.066  1.000 31.227  0  19  GLY A N   1 ? 
ATOM   113  C CA  . GLY A 1 19  ? 20.900 -23.804 10.388  1.000 34.470  0  19  GLY A CA  1 ? 
ATOM   114  C C   . GLY A 1 19  ? 20.357 -25.231 10.474  1.000 37.264  0  19  GLY A C   1 ? 
ATOM   115  O O   . GLY A 1 19  ? 20.496 -26.019 9.538   1.000 30.724  0  19  GLY A O   1 ? 
ATOM   116  N N   . ARG A 1 20  ? 19.750 -25.571 11.619  1.000 36.751  0  20  ARG A N   1 ? 
ATOM   117  C CA  . ARG A 1 20  ? 19.223 -26.915 11.797  1.000 37.874  0  20  ARG A CA  1 ? 
ATOM   118  C C   . ARG A 1 20  ? 17.986 -27.081 10.918  1.000 33.309  0  20  ARG A C   1 ? 
ATOM   119  O O   . ARG A 1 20  ? 17.805 -28.114 10.285  1.000 38.226  0  20  ARG A O   1 ? 
ATOM   120  C CB  . ARG A 1 20  ? 18.868 -27.197 13.265  1.000 41.953  0  20  ARG A CB  1 ? 
ATOM   121  C CG  . ARG A 1 20  ? 20.010 -27.748 14.108  1.000 55.246  0  20  ARG A CG  1 ? 
ATOM   122  C CD  . ARG A 1 20  ? 19.559 -28.133 15.521  1.000 59.920  0  20  ARG A CD  1 ? 
ATOM   123  N NE  . ARG A 1 20  ? 18.589 -27.193 16.106  1.000 70.109  0  20  ARG A NE  1 ? 
ATOM   124  C CZ  . ARG A 1 20  ? 18.845 -26.253 17.022  1.000 73.635  0  20  ARG A CZ  1 ? 
ATOM   125  N NH1 . ARG A 1 20  ? 20.071 -26.057 17.469  1.000 78.306  0  20  ARG A NH1 1 ? 
ATOM   126  N NH2 . ARG A 1 20  ? 17.868 -25.489 17.483  1.000 80.202  0  20  ARG A NH2 1 ? 
ATOM   127  N N   . ARG A 1 21  ? 17.135 -26.057 10.907  1.000 33.124  0  21  ARG A N   1 ? 
ATOM   128  C CA  . ARG A 1 21  ? 15.883 -26.120 10.186  1.000 38.077  0  21  ARG A CA  1 ? 
ATOM   129  C C   . ARG A 1 21  ? 16.103 -26.007 8.681   1.000 41.102  0  21  ARG A C   1 ? 
ATOM   130  O O   . ARG A 1 21  ? 15.348 -26.576 7.900   1.000 34.526  0  21  ARG A O   1 ? 
ATOM   131  C CB  . ARG A 1 21  ? 14.963 -24.982 10.619  1.000 36.903  0  21  ARG A CB  1 ? 
ATOM   132  C CG  . ARG A 1 21  ? 14.436 -25.256 12.017  1.000 39.447  0  21  ARG A CG  1 ? 
ATOM   133  C CD  . ARG A 1 21  ? 13.731 -24.017 12.476  1.000 49.633  0  21  ARG A CD  1 ? 
ATOM   134  N NE  . ARG A 1 21  ? 13.266 -24.151 13.860  1.000 57.285  0  21  ARG A NE  1 ? 
ATOM   135  C CZ  . ARG A 1 21  ? 11.994 -24.078 14.238  1.000 70.145  0  21  ARG A CZ  1 ? 
ATOM   136  N NH1 . ARG A 1 21  ? 11.016 -24.214 13.361  1.000 72.091  0  21  ARG A NH1 1 ? 
ATOM   137  N NH2 . ARG A 1 21  ? 11.706 -23.897 15.515  1.000 74.420  0  21  ARG A NH2 1 ? 
ATOM   138  N N   . LEU A 1 22  ? 17.087 -25.204 8.262   1.000 36.192  0  22  LEU A N   1 ? 
ATOM   139  C CA  . LEU A 1 22  ? 17.438 -25.147 6.851   1.000 35.097  0  22  LEU A CA  1 ? 
ATOM   140  C C   . LEU A 1 22  ? 18.013 -26.477 6.363   1.000 36.001  0  22  LEU A C   1 ? 
ATOM   141  O O   . LEU A 1 22  ? 17.661 -26.934 5.273   1.000 40.400  0  22  LEU A O   1 ? 
ATOM   142  C CB  . LEU A 1 22  ? 18.430 -24.009 6.628   1.000 35.826  0  22  LEU A CB  1 ? 
ATOM   143  C CG  . LEU A 1 22  ? 18.650 -23.592 5.175   1.000 38.691  0  22  LEU A CG  1 ? 
ATOM   144  C CD1 . LEU A 1 22  ? 17.353 -23.243 4.448   1.000 36.105  0  22  LEU A CD1 1 ? 
ATOM   145  C CD2 . LEU A 1 22  ? 19.606 -22.412 5.187   1.000 37.598  0  22  LEU A CD2 1 ? 
ATOM   146  N N   . ALA A 1 23  ? 18.949 -27.052 7.122   1.000 33.145  0  23  ALA A N   1 ? 
ATOM   147  C CA  . ALA A 1 23  ? 19.605 -28.282 6.755   1.000 34.852  0  23  ALA A CA  1 ? 
ATOM   148  C C   . ALA A 1 23  ? 18.539 -29.372 6.568   1.000 40.545  0  23  ALA A C   1 ? 
ATOM   149  O O   . ALA A 1 23  ? 18.543 -30.077 5.557   1.000 37.925  0  23  ALA A O   1 ? 
ATOM   150  C CB  . ALA A 1 23  ? 20.626 -28.658 7.790   1.000 34.415  0  23  ALA A CB  1 ? 
ATOM   151  N N   . LYS A 1 24  ? 17.616 -29.466 7.532   1.000 40.034  0  24  LYS A N   1 ? 
ATOM   152  C CA  . LYS A 1 24  ? 16.539 -30.451 7.476   1.000 50.593  0  24  LYS A CA  1 ? 
ATOM   153  C C   . LYS A 1 24  ? 15.689 -30.249 6.217   1.000 45.611  0  24  LYS A C   1 ? 
ATOM   154  O O   . LYS A 1 24  ? 15.416 -31.215 5.517   1.000 48.219  0  24  LYS A O   1 ? 
ATOM   155  C CB  . LYS A 1 24  ? 15.625 -30.408 8.710   1.000 50.645  0  24  LYS A CB  1 ? 
ATOM   156  C CG  . LYS A 1 24  ? 14.667 -31.580 8.815   1.000 62.912  0  24  LYS A CG  1 ? 
ATOM   157  C CD  . LYS A 1 24  ? 13.762 -31.612 10.049  1.000 69.823  0  24  LYS A CD  1 ? 
ATOM   158  C CE  . LYS A 1 24  ? 14.394 -32.234 11.263  1.000 73.790  0  24  LYS A CE  1 ? 
ATOM   159  N NZ  . LYS A 1 24  ? 13.394 -32.594 12.276  1.000 74.247  0  24  LYS A NZ  1 ? 
ATOM   160  N N   . ALA A 1 25  ? 15.294 -29.002 5.937   1.000 38.402  0  25  ALA A N   1 ? 
ATOM   161  C CA  . ALA A 1 25  ? 14.505 -28.678 4.769   1.000 37.428  0  25  ALA A CA  1 ? 
ATOM   162  C C   . ALA A 1 25  ? 15.236 -29.046 3.477   1.000 44.999  0  25  ALA A C   1 ? 
ATOM   163  O O   . ALA A 1 25  ? 14.587 -29.445 2.520   1.000 43.107  0  25  ALA A O   1 ? 
ATOM   164  C CB  . ALA A 1 25  ? 14.132 -27.244 4.770   1.000 36.997  0  25  ALA A CB  1 ? 
ATOM   165  N N   . LEU A 1 26  ? 16.573 -28.911 3.433   1.000 41.239  0  26  LEU A N   1 ? 
ATOM   166  C CA  . LEU A 1 26  ? 17.323 -29.137 2.207   1.000 37.656  0  26  LEU A CA  1 ? 
ATOM   167  C C   . LEU A 1 26  ? 17.779 -30.589 2.108   1.000 37.785  0  26  LEU A C   1 ? 
ATOM   168  O O   . LEU A 1 26  ? 18.407 -30.970 1.130   1.000 40.702  0  26  LEU A O   1 ? 
ATOM   169  C CB  . LEU A 1 26  ? 18.529 -28.201 2.136   1.000 39.223  0  26  LEU A CB  1 ? 
ATOM   170  C CG  . LEU A 1 26  ? 18.214 -26.721 1.940   1.000 36.477  0  26  LEU A CG  1 ? 
ATOM   171  C CD1 . LEU A 1 26  ? 19.498 -25.886 2.096   1.000 37.186  0  26  LEU A CD1 1 ? 
ATOM   172  C CD2 . LEU A 1 26  ? 17.559 -26.458 0.592   1.000 41.471  0  26  LEU A CD2 1 ? 
ATOM   173  N N   . GLY A 1 27  ? 17.547 -31.388 3.138   1.000 34.773  0  27  GLY A N   1 ? 
ATOM   174  C CA  . GLY A 1 27  ? 18.005 -32.767 3.140   1.000 35.623  0  27  GLY A CA  1 ? 
ATOM   175  C C   . GLY A 1 27  ? 19.511 -32.940 3.313   1.000 43.085  0  27  GLY A C   1 ? 
ATOM   176  O O   . GLY A 1 27  ? 20.069 -33.915 2.813   1.000 43.309  0  27  GLY A O   1 ? 
ATOM   177  N N   . VAL A 1 28  ? 20.169 -32.045 4.077   1.000 37.505  0  28  VAL A N   1 ? 
ATOM   178  C CA  . VAL A 1 28  ? 21.617 -32.120 4.249   1.000 35.879  0  28  VAL A CA  1 ? 
ATOM   179  C C   . VAL A 1 28  ? 21.980 -31.962 5.729   1.000 33.951  0  28  VAL A C   1 ? 
ATOM   180  O O   . VAL A 1 28  ? 21.115 -31.744 6.555   1.000 34.176  0  28  VAL A O   1 ? 
ATOM   181  C CB  . VAL A 1 28  ? 22.281 -31.031 3.381   1.000 34.148  0  28  VAL A CB  1 ? 
ATOM   182  C CG1 . VAL A 1 28  ? 21.997 -31.256 1.895   1.000 33.633  0  28  VAL A CG1 1 ? 
ATOM   183  C CG2 . VAL A 1 28  ? 21.862 -29.635 3.813   1.000 30.493  0  28  VAL A CG2 1 ? 
ATOM   184  N N   . GLY A 1 29  ? 23.255 -32.124 6.045   1.000 37.535  0  29  GLY A N   1 ? 
ATOM   185  C CA  . GLY A 1 29  ? 23.727 -31.923 7.403   1.000 41.977  0  29  GLY A CA  1 ? 
ATOM   186  C C   . GLY A 1 29  ? 24.135 -30.466 7.662   1.000 39.949  0  29  GLY A C   1 ? 
ATOM   187  O O   . GLY A 1 29  ? 24.456 -29.716 6.739   1.000 33.560  0  29  GLY A O   1 ? 
ATOM   188  N N   . LEU A 1 30  ? 24.119 -30.107 8.946   1.000 39.349  0  30  LEU A N   1 ? 
ATOM   189  C CA  . LEU A 1 30  ? 24.622 -28.838 9.426   1.000 39.705  0  30  LEU A CA  1 ? 
ATOM   190  C C   . LEU A 1 30  ? 26.028 -29.053 9.971   1.000 39.980  0  30  LEU A C   1 ? 
ATOM   191  O O   . LEU A 1 30  ? 26.314 -30.024 10.688  1.000 35.356  0  30  LEU A O   1 ? 
ATOM   192  C CB  . LEU A 1 30  ? 23.665 -28.291 10.479  1.000 39.784  0  30  LEU A CB  1 ? 
ATOM   193  C CG  . LEU A 1 30  ? 24.086 -26.985 11.161  1.000 39.889  0  30  LEU A CG  1 ? 
ATOM   194  C CD1 . LEU A 1 30  ? 24.033 -25.783 10.218  1.000 40.078  0  30  LEU A CD1 1 ? 
ATOM   195  C CD2 . LEU A 1 30  ? 23.213 -26.749 12.369  1.000 44.010  0  30  LEU A CD2 1 ? 
ATOM   196  N N   . LEU A 1 31  ? 26.925 -28.122 9.636   1.000 35.467  0  31  LEU A N   1 ? 
ATOM   197  C CA  . LEU A 1 31  ? 28.242 -28.095 10.248  1.000 32.224  0  31  LEU A CA  1 ? 
ATOM   198  C C   . LEU A 1 31  ? 28.427 -26.714 10.859  1.000 29.007  0  31  LEU A C   1 ? 
ATOM   199  O O   . LEU A 1 31  ? 28.241 -25.723 10.166  1.000 27.225  0  31  LEU A O   1 ? 
ATOM   200  C CB  . LEU A 1 31  ? 29.338 -28.391 9.232   1.000 33.217  0  31  LEU A CB  1 ? 
ATOM   201  C CG  . LEU A 1 31  ? 30.758 -28.371 9.808   1.000 38.292  0  31  LEU A CG  1 ? 
ATOM   202  C CD1 . LEU A 1 31  ? 30.895 -29.358 10.967  1.000 43.554  0  31  LEU A CD1 1 ? 
ATOM   203  C CD2 . LEU A 1 31  ? 31.725 -28.653 8.718   1.000 37.937  0  31  LEU A CD2 1 ? 
ATOM   204  N N   . ASP A 1 32  ? 28.757 -26.671 12.148  1.000 28.793  0  32  ASP A N   1 ? 
ATOM   205  C CA  . ASP A 1 32  ? 29.014 -25.432 12.865  1.000 29.086  0  32  ASP A CA  1 ? 
ATOM   206  C C   . ASP A 1 32  ? 30.522 -25.362 13.042  1.000 27.282  0  32  ASP A C   1 ? 
ATOM   207  O O   . ASP A 1 32  ? 31.117 -26.315 13.565  1.000 24.825  0  32  ASP A O   1 ? 
ATOM   208  C CB  . ASP A 1 32  ? 28.271 -25.435 14.186  1.000 35.144  0  32  ASP A CB  1 ? 
ATOM   209  C CG  . ASP A 1 32  ? 28.548 -24.293 15.153  1.000 40.047  0  32  ASP A CG  1 ? 
ATOM   210  O OD1 . ASP A 1 32  ? 29.431 -23.447 14.873  1.000 41.164  0  32  ASP A OD1 1 ? 
ATOM   211  O OD2 . ASP A 1 32  ? 27.870 -24.277 16.208  1.000 50.607  -1 32  ASP A OD2 1 ? 
ATOM   212  N N   . THR A 1 33  ? 31.151 -24.271 12.568  1.000 25.113  0  33  THR A N   1 ? 
ATOM   213  C CA  . THR A 1 33  ? 32.589 -24.243 12.566  1.000 24.878  0  33  THR A CA  1 ? 
ATOM   214  C C   . THR A 1 33  ? 33.125 -24.223 14.003  1.000 26.232  0  33  THR A C   1 ? 
ATOM   215  O O   . THR A 1 33  ? 34.238 -24.692 14.224  1.000 26.696  0  33  THR A O   1 ? 
ATOM   216  C CB  . THR A 1 33  ? 33.162 -23.131 11.686  1.000 25.766  0  33  THR A CB  1 ? 
ATOM   217  O OG1 . THR A 1 33  ? 32.691 -21.860 12.101  1.000 26.337  0  33  THR A OG1 1 ? 
ATOM   218  C CG2 . THR A 1 33  ? 32.876 -23.359 10.213  1.000 25.672  0  33  THR A CG2 1 ? 
ATOM   219  N N   . ASP A 1 34  ? 32.377 -23.694 14.974  1.000 25.869  0  34  ASP A N   1 ? 
ATOM   220  C CA  . ASP A 1 34  ? 32.793 -23.745 16.376  1.000 26.440  0  34  ASP A CA  1 ? 
ATOM   221  C C   . ASP A 1 34  ? 32.976 -25.208 16.808  1.000 29.369  0  34  ASP A C   1 ? 
ATOM   222  O O   . ASP A 1 34  ? 33.967 -25.569 17.459  1.000 26.747  0  34  ASP A O   1 ? 
ATOM   223  C CB  . ASP A 1 34  ? 31.787 -23.091 17.305  1.000 29.661  0  34  ASP A CB  1 ? 
ATOM   224  C CG  . ASP A 1 34  ? 31.730 -21.567 17.234  1.000 35.262  0  34  ASP A CG  1 ? 
ATOM   225  O OD1 . ASP A 1 34  ? 32.714 -20.963 16.757  1.000 34.303  0  34  ASP A OD1 1 ? 
ATOM   226  O OD2 . ASP A 1 34  ? 30.682 -20.998 17.620  1.000 46.034  -1 34  ASP A OD2 1 ? 
ATOM   227  N N   . VAL A 1 35  ? 31.991 -26.040 16.469  1.000 26.634  0  35  VAL A N   1 ? 
ATOM   228  C CA  . VAL A 1 35  ? 32.050 -27.460 16.824  1.000 30.666  0  35  VAL A CA  1 ? 
ATOM   229  C C   . VAL A 1 35  ? 33.234 -28.110 16.128  1.000 28.579  0  35  VAL A C   1 ? 
ATOM   230  O O   . VAL A 1 35  ? 33.974 -28.890 16.724  1.000 28.889  0  35  VAL A O   1 ? 
ATOM   231  C CB  . VAL A 1 35  ? 30.708 -28.156 16.493  1.000 33.437  0  35  VAL A CB  1 ? 
ATOM   232  C CG1 . VAL A 1 35  ? 30.795 -29.680 16.609  1.000 39.350  0  35  VAL A CG1 1 ? 
ATOM   233  C CG2 . VAL A 1 35  ? 29.602 -27.619 17.363  1.000 35.632  0  35  VAL A CG2 1 ? 
ATOM   234  N N   . ALA A 1 36  ? 33.417 -27.806 14.837  1.000 28.748  0  36  ALA A N   1 ? 
ATOM   235  C CA  . ALA A 1 36  ? 34.538 -28.327 14.076  1.000 27.275  0  36  ALA A CA  1 ? 
ATOM   236  C C   . ALA A 1 36  ? 35.863 -27.962 14.745  1.000 29.772  0  36  ALA A C   1 ? 
ATOM   237  O O   . ALA A 1 36  ? 36.784 -28.760 14.745  1.000 29.702  0  36  ALA A O   1 ? 
ATOM   238  C CB  . ALA A 1 36  ? 34.490 -27.797 12.650  1.000 30.119  0  36  ALA A CB  1 ? 
ATOM   239  N N   . ILE A 1 37  ? 35.977 -26.726 15.266  1.000 25.924  0  37  ILE A N   1 ? 
ATOM   240  C CA  . ILE A 1 37  ? 37.221 -26.303 15.907  1.000 27.295  0  37  ILE A CA  1 ? 
ATOM   241  C C   . ILE A 1 37  ? 37.493 -27.181 17.137  1.000 25.370  0  37  ILE A C   1 ? 
ATOM   242  O O   . ILE A 1 37  ? 38.617 -27.659 17.334  1.000 28.493  0  37  ILE A O   1 ? 
ATOM   243  C CB  . ILE A 1 37  ? 37.175 -24.809 16.280  1.000 26.106  0  37  ILE A CB  1 ? 
ATOM   244  C CG1 . ILE A 1 37  ? 37.311 -23.903 15.039  1.000 26.274  0  37  ILE A CG1 1 ? 
ATOM   245  C CG2 . ILE A 1 37  ? 38.247 -24.484 17.315  1.000 26.099  0  37  ILE A CG2 1 ? 
ATOM   246  C CD1 . ILE A 1 37  ? 36.875 -22.444 15.260  1.000 25.336  0  37  ILE A CD1 1 ? 
ATOM   247  N N   . GLU A 1 38  ? 36.461 -27.369 17.958  1.000 25.843  0  38  GLU A N   1 ? 
ATOM   248  C CA  . GLU A 1 38  ? 36.523 -28.186 19.165  1.000 27.541  0  38  GLU A CA  1 ? 
ATOM   249  C C   . GLU A 1 38  ? 36.920 -29.630 18.825  1.000 34.265  0  38  GLU A C   1 ? 
ATOM   250  O O   . GLU A 1 38  ? 37.783 -30.199 19.498  1.000 33.962  0  38  GLU A O   1 ? 
ATOM   251  C CB  . GLU A 1 38  ? 35.205 -28.090 19.935  1.000 30.882  0  38  GLU A CB  1 ? 
ATOM   252  C CG  . GLU A 1 38  ? 35.042 -26.733 20.598  1.000 32.234  0  38  GLU A CG  1 ? 
ATOM   253  C CD  . GLU A 1 38  ? 33.930 -26.623 21.618  1.000 38.649  0  38  GLU A CD  1 ? 
ATOM   254  O OE1 . GLU A 1 38  ? 33.043 -27.463 21.497  1.000 37.905  0  38  GLU A OE1 1 ? 
ATOM   255  O OE2 . GLU A 1 38  ? 33.930 -25.703 22.472  1.000 38.747  -1 38  GLU A OE2 1 ? 
ATOM   256  N N   . GLN A 1 39  ? 36.373 -30.159 17.718  1.000 32.538  0  39  GLN A N   1 ? 
ATOM   257  C CA  . GLN A 1 39  ? 36.700 -31.505 17.275  1.000 37.151  0  39  GLN A CA  1 ? 
ATOM   258  C C   . GLN A 1 39  ? 38.131 -31.650 16.794  1.000 38.787  0  39  GLN A C   1 ? 
ATOM   259  O O   . GLN A 1 39  ? 38.741 -32.661 17.120  1.000 43.203  0  39  GLN A O   1 ? 
ATOM   260  C CB  . GLN A 1 39  ? 35.748 -32.001 16.190  1.000 44.109  0  39  GLN A CB  1 ? 
ATOM   261  C CG  . GLN A 1 39  ? 34.356 -32.317 16.723  1.000 46.805  0  39  GLN A CG  1 ? 
ATOM   262  C CD  . GLN A 1 39  ? 33.336 -32.574 15.626  1.000 58.670  0  39  GLN A CD  1 ? 
ATOM   263  O OE1 . GLN A 1 39  ? 33.535 -32.265 14.441  1.000 61.489  0  39  GLN A OE1 1 ? 
ATOM   264  N NE2 . GLN A 1 39  ? 32.199 -33.124 16.027  1.000 65.275  0  39  GLN A NE2 1 ? 
ATOM   265  N N   A ARG A 1 40  ? 38.621 -30.649 16.046  0.500 33.758  0  40  ARG A N   1 ? 
ATOM   266  N N   C ARG A 1 40  ? 38.654 -30.680 16.028  0.500 37.980  0  40  ARG A N   1 ? 
ATOM   267  C CA  A ARG A 1 40  ? 39.976 -30.622 15.494  0.370 33.163  0  40  ARG A CA  1 ? 
ATOM   268  C CA  C ARG A 1 40  ? 39.997 -30.741 15.461  0.630 40.725  0  40  ARG A CA  1 ? 
ATOM   269  C C   A ARG A 1 40  ? 40.998 -30.558 16.638  0.500 35.301  0  40  ARG A C   1 ? 
ATOM   270  C C   C ARG A 1 40  ? 41.065 -30.443 16.536  0.500 38.618  0  40  ARG A C   1 ? 
ATOM   271  O O   A ARG A 1 40  ? 42.013 -31.259 16.646  0.500 35.820  0  40  ARG A O   1 ? 
ATOM   272  O O   C ARG A 1 40  ? 42.226 -30.846 16.386  0.500 35.973  0  40  ARG A O   1 ? 
ATOM   273  C CB  A ARG A 1 40  ? 40.185 -29.445 14.510  0.370 30.536  0  40  ARG A CB  1 ? 
ATOM   274  C CB  C ARG A 1 40  ? 40.116 -29.762 14.278  0.630 45.484  0  40  ARG A CB  1 ? 
ATOM   275  C CG  A ARG A 1 40  ? 41.600 -29.239 13.967  0.370 31.596  0  40  ARG A CG  1 ? 
ATOM   276  C CG  C ARG A 1 40  ? 39.192 -30.060 13.100  0.630 55.659  0  40  ARG A CG  1 ? 
ATOM   277  C CD  A ARG A 1 40  ? 41.937 -28.116 12.965  0.370 30.809  0  40  ARG A CD  1 ? 
ATOM   278  C CD  C ARG A 1 40  ? 39.686 -31.140 12.130  0.630 59.491  0  40  ARG A CD  1 ? 
ATOM   279  N NE  A ARG A 1 40  ? 41.475 -28.416 11.605  0.370 27.357  0  40  ARG A NE  1 ? 
ATOM   280  N NE  C ARG A 1 40  ? 41.026 -30.794 11.639  0.630 62.174  0  40  ARG A NE  1 ? 
ATOM   281  C CZ  A ARG A 1 40  ? 41.865 -27.943 10.424  0.370 26.450  0  40  ARG A CZ  1 ? 
ATOM   282  C CZ  C ARG A 1 40  ? 42.071 -31.618 11.566  0.630 61.470  0  40  ARG A CZ  1 ? 
ATOM   283  N NH1 A ARG A 1 40  ? 42.964 -27.225 10.259  0.370 26.272  0  40  ARG A NH1 1 ? 
ATOM   284  N NH1 C ARG A 1 40  ? 41.887 -32.928 11.548  0.630 58.710  0  40  ARG A NH1 1 ? 
ATOM   285  N NH2 A ARG A 1 40  ? 41.134 -28.237 9.370   0.370 26.840  0  40  ARG A NH2 1 ? 
ATOM   286  N NH2 C ARG A 1 40  ? 43.295 -31.123 11.453  0.630 56.943  0  40  ARG A NH2 1 ? 
ATOM   287  N N   . THR A 1 41  ? 40.726 -29.668 17.587  1.000 30.562  0  41  THR A N   1 ? 
ATOM   288  C CA  . THR A 1 41  ? 41.703 -29.276 18.587  1.000 28.944  0  41  THR A CA  1 ? 
ATOM   289  C C   . THR A 1 41  ? 41.642 -30.161 19.840  1.000 29.220  0  41  THR A C   1 ? 
ATOM   290  O O   . THR A 1 41  ? 42.614 -30.204 20.592  1.000 30.679  0  41  THR A O   1 ? 
ATOM   291  C CB  . THR A 1 41  ? 41.610 -27.792 18.944  1.000 29.009  0  41  THR A CB  1 ? 
ATOM   292  O OG1 . THR A 1 41  ? 40.355 -27.619 19.609  1.000 25.525  0  41  THR A OG1 1 ? 
ATOM   293  C CG2 . THR A 1 41  ? 41.841 -26.867 17.758  1.000 29.596  0  41  THR A CG2 1 ? 
ATOM   294  N N   . GLY A 1 42  ? 40.526 -30.829 20.086  1.000 27.943  0  42  GLY A N   1 ? 
ATOM   295  C CA  . GLY A 1 42  ? 40.281 -31.469 21.363  1.000 31.203  0  42  GLY A CA  1 ? 
ATOM   296  C C   . GLY A 1 42  ? 40.086 -30.480 22.507  1.000 30.067  0  42  GLY A C   1 ? 
ATOM   297  O O   . GLY A 1 42  ? 40.146 -30.891 23.667  1.000 28.938  0  42  GLY A O   1 ? 
ATOM   298  N N   . ARG A 1 43  ? 39.818 -29.192 22.194  1.000 27.884  0  43  ARG A N   1 ? 
ATOM   299  C CA  . ARG A 1 43  ? 39.781 -28.141 23.206  1.000 26.676  0  43  ARG A CA  1 ? 
ATOM   300  C C   . ARG A 1 43  ? 38.454 -27.386 23.111  1.000 28.030  0  43  ARG A C   1 ? 
ATOM   301  O O   . ARG A 1 43  ? 37.918 -27.204 22.021  1.000 28.076  0  43  ARG A O   1 ? 
ATOM   302  C CB  . ARG A 1 43  ? 40.963 -27.180 23.047  1.000 25.750  0  43  ARG A CB  1 ? 
ATOM   303  C CG  . ARG A 1 43  ? 42.315 -27.866 23.226  1.000 28.471  0  43  ARG A CG  1 ? 
ATOM   304  C CD  . ARG A 1 43  ? 43.477 -27.013 22.849  1.000 28.060  0  43  ARG A CD  1 ? 
ATOM   305  N NE  . ARG A 1 43  ? 43.523 -25.854 23.743  1.000 27.861  0  43  ARG A NE  1 ? 
ATOM   306  C CZ  . ARG A 1 43  ? 44.326 -24.836 23.574  1.000 28.320  0  43  ARG A CZ  1 ? 
ATOM   307  N NH1 . ARG A 1 43  ? 45.164 -24.799 22.547  1.000 29.384  0  43  ARG A NH1 1 ? 
ATOM   308  N NH2 . ARG A 1 43  ? 44.303 -23.859 24.453  1.000 30.168  0  43  ARG A NH2 1 ? 
ATOM   309  N N   . SER A 1 44  ? 37.940 -26.927 24.255  1.000 24.861  0  44  SER A N   1 ? 
ATOM   310  C CA  . SER A 1 44  ? 36.851 -25.980 24.247  1.000 25.326  0  44  SER A CA  1 ? 
ATOM   311  C C   . SER A 1 44  ? 37.352 -24.658 23.668  1.000 23.415  0  44  SER A C   1 ? 
ATOM   312  O O   . SER A 1 44  ? 38.514 -24.256 23.812  1.000 24.158  0  44  SER A O   1 ? 
ATOM   313  C CB  . SER A 1 44  ? 36.299 -25.791 25.650  1.000 28.098  0  44  SER A CB  1 ? 
ATOM   314  O OG  . SER A 1 44  ? 37.197 -25.013 26.420  1.000 30.453  0  44  SER A OG  1 ? 
ATOM   315  N N   . ILE A 1 45  ? 36.429 -23.944 23.044  1.000 25.940  0  45  ILE A N   1 ? 
ATOM   316  C CA  . ILE A 1 45  ? 36.679 -22.594 22.562  1.000 27.530  0  45  ILE A CA  1 ? 
ATOM   317  C C   . ILE A 1 45  ? 37.097 -21.665 23.699  1.000 25.275  0  45  ILE A C   1 ? 
ATOM   318  O O   . ILE A 1 45  ? 38.032 -20.883 23.540  1.000 25.676  0  45  ILE A O   1 ? 
ATOM   319  C CB  . ILE A 1 45  ? 35.436 -22.068 21.827  1.000 30.910  0  45  ILE A CB  1 ? 
ATOM   320  C CG1 . ILE A 1 45  ? 35.234 -22.869 20.534  1.000 41.038  0  45  ILE A CG1 1 ? 
ATOM   321  C CG2 . ILE A 1 45  ? 35.549 -20.552 21.537  1.000 30.134  0  45  ILE A CG2 1 ? 
ATOM   322  C CD1 . ILE A 1 45  ? 33.805 -22.875 20.073  1.000 47.397  0  45  ILE A CD1 1 ? 
ATOM   323  N N   . ALA A 1 46  ? 36.417 -21.775 24.857  1.000 26.133  0  46  ALA A N   1 ? 
ATOM   324  C CA  . ALA A 1 46  ? 36.758 -20.987 26.024  1.000 25.640  0  46  ALA A CA  1 ? 
ATOM   325  C C   . ALA A 1 46  ? 38.222 -21.185 26.398  1.000 25.677  0  46  ALA A C   1 ? 
ATOM   326  O O   . ALA A 1 46  ? 38.939 -20.227 26.676  1.000 25.783  0  46  ALA A O   1 ? 
ATOM   327  C CB  . ALA A 1 46  ? 35.847 -21.340 27.176  1.000 25.911  0  46  ALA A CB  1 ? 
ATOM   328  N N   . ASP A 1 47  ? 38.668 -22.442 26.370  1.000 25.937  0  47  ASP A N   1 ? 
ATOM   329  C CA  . ASP A 1 47  ? 40.043 -22.729 26.743  1.000 27.112  0  47  ASP A CA  1 ? 
ATOM   330  C C   . ASP A 1 47  ? 41.036 -22.081 25.785  1.000 25.460  0  47  ASP A C   1 ? 
ATOM   331  O O   . ASP A 1 47  ? 42.076 -21.606 26.222  1.000 27.443  0  47  ASP A O   1 ? 
ATOM   332  C CB  . ASP A 1 47  ? 40.335 -24.210 26.862  1.000 29.682  0  47  ASP A CB  1 ? 
ATOM   333  C CG  . ASP A 1 47  ? 41.804 -24.449 27.191  1.000 39.417  0  47  ASP A CG  1 ? 
ATOM   334  O OD1 . ASP A 1 47  ? 42.212 -24.111 28.321  1.000 40.329  0  47  ASP A OD1 1 ? 
ATOM   335  O OD2 . ASP A 1 47  ? 42.549 -24.861 26.269  1.000 45.395  -1 47  ASP A OD2 1 ? 
ATOM   336  N N   . ILE A 1 48  ? 40.759 -22.133 24.477  1.000 24.394  0  48  ILE A N   1 ? 
ATOM   337  C CA  . ILE A 1 48  ? 41.644 -21.561 23.497  1.000 25.173  0  48  ILE A CA  1 ? 
ATOM   338  C C   . ILE A 1 48  ? 41.776 -20.056 23.729  1.000 24.136  0  48  ILE A C   1 ? 
ATOM   339  O O   . ILE A 1 48  ? 42.868 -19.513 23.769  1.000 23.770  0  48  ILE A O   1 ? 
ATOM   340  C CB  . ILE A 1 48  ? 41.193 -21.883 22.058  1.000 24.150  0  48  ILE A CB  1 ? 
ATOM   341  C CG1 . ILE A 1 48  ? 41.171 -23.381 21.804  1.000 26.305  0  48  ILE A CG1 1 ? 
ATOM   342  C CG2 . ILE A 1 48  ? 42.085 -21.154 21.063  1.000 26.583  0  48  ILE A CG2 1 ? 
ATOM   343  C CD1 . ILE A 1 48  ? 40.444 -23.832 20.565  1.000 26.712  0  48  ILE A CD1 1 ? 
ATOM   344  N N   . PHE A 1 49  ? 40.649 -19.360 23.909  1.000 24.955  0  49  PHE A N   1 ? 
ATOM   345  C CA  . PHE A 1 49  ? 40.697 -17.940 24.197  1.000 28.559  0  49  PHE A CA  1 ? 
ATOM   346  C C   . PHE A 1 49  ? 41.471 -17.619 25.481  1.000 27.437  0  49  PHE A C   1 ? 
ATOM   347  O O   . PHE A 1 49  ? 42.229 -16.666 25.504  1.000 28.978  0  49  PHE A O   1 ? 
ATOM   348  C CB  . PHE A 1 49  ? 39.292 -17.348 24.355  1.000 29.062  0  49  PHE A CB  1 ? 
ATOM   349  C CG  . PHE A 1 49  ? 38.681 -16.847 23.057  1.000 25.981  0  49  PHE A CG  1 ? 
ATOM   350  C CD1 . PHE A 1 49  ? 38.061 -17.726 22.174  1.000 25.824  0  49  PHE A CD1 1 ? 
ATOM   351  C CD2 . PHE A 1 49  ? 38.714 -15.494 22.723  1.000 25.913  0  49  PHE A CD2 1 ? 
ATOM   352  C CE1 . PHE A 1 49  ? 37.474 -17.277 21.020  1.000 27.976  0  49  PHE A CE1 1 ? 
ATOM   353  C CE2 . PHE A 1 49  ? 38.129 -15.052 21.540  1.000 26.076  0  49  PHE A CE2 1 ? 
ATOM   354  C CZ  . PHE A 1 49  ? 37.512 -15.934 20.702  1.000 26.306  0  49  PHE A CZ  1 ? 
ATOM   355  N N   . ALA A 1 50  ? 41.218 -18.366 26.538  1.000 26.931  0  50  ALA A N   1 ? 
ATOM   356  C CA  . ALA A 1 50  ? 41.710 -18.053 27.869  1.000 29.836  0  50  ALA A CA  1 ? 
ATOM   357  C C   . ALA A 1 50  ? 43.219 -18.276 27.964  1.000 33.967  0  50  ALA A C   1 ? 
ATOM   358  O O   . ALA A 1 50  ? 43.916 -17.571 28.711  1.000 35.782  0  50  ALA A O   1 ? 
ATOM   359  C CB  . ALA A 1 50  ? 40.997 -18.940 28.876  1.000 32.559  0  50  ALA A CB  1 ? 
ATOM   360  N N   . THR A 1 51  ? 43.718 -19.294 27.244  1.000 31.565  0  51  THR A N   1 ? 
ATOM   361  C CA  . THR A 1 51  ? 45.111 -19.688 27.420  1.000 31.368  0  51  THR A CA  1 ? 
ATOM   362  C C   . THR A 1 51  ? 45.970 -19.218 26.252  1.000 38.336  0  51  THR A C   1 ? 
ATOM   363  O O   . THR A 1 51  ? 47.079 -18.730 26.461  1.000 43.667  0  51  THR A O   1 ? 
ATOM   364  C CB  . THR A 1 51  ? 45.202 -21.190 27.659  1.000 37.565  0  51  THR A CB  1 ? 
ATOM   365  O OG1 . THR A 1 51  ? 44.675 -21.830 26.499  1.000 42.066  0  51  THR A OG1 1 ? 
ATOM   366  C CG2 . THR A 1 51  ? 44.351 -21.613 28.834  1.000 36.747  0  51  THR A CG2 1 ? 
ATOM   367  N N   . ASP A 1 52  ? 45.456 -19.336 25.029  1.000 33.194  0  52  ASP A N   1 ? 
ATOM   368  C CA  . ASP A 1 52  ? 46.264 -19.052 23.846  1.000 35.181  0  52  ASP A CA  1 ? 
ATOM   369  C C   . ASP A 1 52  ? 45.908 -17.704 23.229  1.000 31.632  0  52  ASP A C   1 ? 
ATOM   370  O O   . ASP A 1 52  ? 46.719 -17.154 22.509  1.000 35.859  0  52  ASP A O   1 ? 
ATOM   371  C CB  . ASP A 1 52  ? 46.198 -20.239 22.906  1.000 37.409  0  52  ASP A CB  1 ? 
ATOM   372  C CG  . ASP A 1 52  ? 46.996 -21.401 23.479  1.000 40.321  0  52  ASP A CG  1 ? 
ATOM   373  O OD1 . ASP A 1 52  ? 48.239 -21.258 23.639  1.000 53.306  0  52  ASP A OD1 1 ? 
ATOM   374  O OD2 . ASP A 1 52  ? 46.376 -22.372 23.886  1.000 39.993  -1 52  ASP A OD2 1 ? 
ATOM   375  N N   . GLY A 1 53  ? 44.696 -17.182 23.507  1.000 30.104  0  53  GLY A N   1 ? 
ATOM   376  C CA  . GLY A 1 53  ? 44.310 -15.864 23.067  1.000 32.575  0  53  GLY A CA  1 ? 
ATOM   377  C C   . GLY A 1 53  ? 43.486 -15.859 21.771  1.000 30.611  0  53  GLY A C   1 ? 
ATOM   378  O O   . GLY A 1 53  ? 43.440 -16.817 20.999  1.000 30.499  0  53  GLY A O   1 ? 
ATOM   379  N N   . GLU A 1 54  ? 42.833 -14.724 21.548  1.000 28.824  0  54  GLU A N   1 ? 
ATOM   380  C CA  . GLU A 1 54  ? 41.933 -14.558 20.421  1.000 29.018  0  54  GLU A CA  1 ? 
ATOM   381  C C   . GLU A 1 54  ? 42.682 -14.720 19.104  1.000 28.194  0  54  GLU A C   1 ? 
ATOM   382  O O   . GLU A 1 54  ? 42.153 -15.313 18.166  1.000 27.010  0  54  GLU A O   1 ? 
ATOM   383  C CB  . GLU A 1 54  ? 41.218 -13.204 20.423  1.000 31.636  0  54  GLU A CB  1 ? 
ATOM   384  C CG  . GLU A 1 54  ? 40.207 -13.106 19.285  1.000 33.222  0  54  GLU A CG  1 ? 
ATOM   385  C CD  . GLU A 1 54  ? 39.294 -11.894 19.255  1.000 36.453  0  54  GLU A CD  1 ? 
ATOM   386  O OE1 . GLU A 1 54  ? 39.317 -11.070 20.200  1.000 35.607  0  54  GLU A OE1 1 ? 
ATOM   387  O OE2 . GLU A 1 54  ? 38.535 -11.793 18.265  1.000 37.671  -1 54  GLU A OE2 1 ? 
ATOM   388  N N   . GLN A 1 55  ? 43.900 -14.170 19.004  1.000 29.784  0  55  GLN A N   1 ? 
ATOM   389  C CA  . GLN A 1 55  ? 44.592 -14.187 17.718  1.000 35.216  0  55  GLN A CA  1 ? 
ATOM   390  C C   . GLN A 1 55  ? 44.821 -15.624 17.268  1.000 31.264  0  55  GLN A C   1 ? 
ATOM   391  O O   . GLN A 1 55  ? 44.578 -15.950 16.102  1.000 30.178  0  55  GLN A O   1 ? 
ATOM   392  C CB  . GLN A 1 55  ? 45.854 -13.323 17.681  1.000 40.071  0  55  GLN A CB  1 ? 
ATOM   393  C CG  . GLN A 1 55  ? 45.525 -11.832 17.627  1.000 50.085  0  55  GLN A CG  1 ? 
ATOM   394  C CD  . GLN A 1 55  ? 44.474 -11.488 16.583  1.000 64.735  0  55  GLN A CD  1 ? 
ATOM   395  O OE1 . GLN A 1 55  ? 44.661 -11.750 15.386  1.000 63.782  0  55  GLN A OE1 1 ? 
ATOM   396  N NE2 . GLN A 1 55  ? 43.341 -10.932 17.015  1.000 68.289  0  55  GLN A NE2 1 ? 
ATOM   397  N N   . GLU A 1 56  ? 45.276 -16.478 18.182  1.000 31.121  0  56  GLU A N   1 ? 
ATOM   398  C CA  . GLU A 1 56  ? 45.521 -17.871 17.824  1.000 30.542  0  56  GLU A CA  1 ? 
ATOM   399  C C   . GLU A 1 56  ? 44.195 -18.575 17.489  1.000 28.401  0  56  GLU A C   1 ? 
ATOM   400  O O   . GLU A 1 56  ? 44.147 -19.343 16.539  1.000 28.530  0  56  GLU A O   1 ? 
ATOM   401  C CB  . GLU A 1 56  ? 46.278 -18.661 18.902  1.000 36.212  0  56  GLU A CB  1 ? 
ATOM   402  C CG  . GLU A 1 56  ? 46.687 -20.074 18.465  1.000 42.182  0  56  GLU A CG  1 ? 
ATOM   403  C CD  . GLU A 1 56  ? 47.523 -20.895 19.451  1.000 58.940  0  56  GLU A CD  1 ? 
ATOM   404  O OE1 . GLU A 1 56  ? 48.635 -20.439 19.842  1.000 62.720  0  56  GLU A OE1 1 ? 
ATOM   405  O OE2 . GLU A 1 56  ? 47.081 -22.011 19.836  1.000 68.241  -1 56  GLU A OE2 1 ? 
ATOM   406  N N   . PHE A 1 57  ? 43.125 -18.293 18.235  1.000 27.068  0  57  PHE A N   1 ? 
ATOM   407  C CA  . PHE A 1 57  ? 41.800 -18.795 17.886  1.000 24.363  0  57  PHE A CA  1 ? 
ATOM   408  C C   . PHE A 1 57  ? 41.411 -18.427 16.449  1.000 23.897  0  57  PHE A C   1 ? 
ATOM   409  O O   . PHE A 1 57  ? 40.887 -19.267 15.718  1.000 24.512  0  57  PHE A O   1 ? 
ATOM   410  C CB  . PHE A 1 57  ? 40.755 -18.270 18.859  1.000 25.244  0  57  PHE A CB  1 ? 
ATOM   411  C CG  . PHE A 1 57  ? 39.368 -18.744 18.491  1.000 26.726  0  57  PHE A CG  1 ? 
ATOM   412  C CD1 . PHE A 1 57  ? 38.962 -20.043 18.759  1.000 25.309  0  57  PHE A CD1 1 ? 
ATOM   413  C CD2 . PHE A 1 57  ? 38.511 -17.901 17.792  1.000 28.221  0  57  PHE A CD2 1 ? 
ATOM   414  C CE1 . PHE A 1 57  ? 37.716 -20.485 18.376  1.000 26.774  0  57  PHE A CE1 1 ? 
ATOM   415  C CE2 . PHE A 1 57  ? 37.258 -18.341 17.421  1.000 25.048  0  57  PHE A CE2 1 ? 
ATOM   416  C CZ  . PHE A 1 57  ? 36.863 -19.633 17.692  1.000 25.343  0  57  PHE A CZ  1 ? 
ATOM   417  N N   . ARG A 1 58  ? 41.598 -17.160 16.069  1.000 23.321  0  58  ARG A N   1 ? 
ATOM   418  C CA  . ARG A 1 58  ? 41.177 -16.705 14.745  1.000 22.089  0  58  ARG A CA  1 ? 
ATOM   419  C C   . ARG A 1 58  ? 41.928 -17.438 13.641  1.000 25.588  0  58  ARG A C   1 ? 
ATOM   420  O O   . ARG A 1 58  ? 41.336 -17.739 12.612  1.000 23.021  0  58  ARG A O   1 ? 
ATOM   421  C CB  . ARG A 1 58  ? 41.298 -15.184 14.625  1.000 23.981  0  58  ARG A CB  1 ? 
ATOM   422  C CG  . ARG A 1 58  ? 40.390 -14.394 15.546  1.000 26.306  0  58  ARG A CG  1 ? 
ATOM   423  C CD  . ARG A 1 58  ? 38.932 -14.571 15.188  1.000 27.288  0  58  ARG A CD  1 ? 
ATOM   424  N NE  . ARG A 1 58  ? 38.104 -13.829 16.154  1.000 25.785  0  58  ARG A NE  1 ? 
ATOM   425  C CZ  . ARG A 1 58  ? 36.893 -14.230 16.537  1.000 24.502  0  58  ARG A CZ  1 ? 
ATOM   426  N NH1 . ARG A 1 58  ? 36.302 -15.233 15.898  1.000 23.630  0  58  ARG A NH1 1 ? 
ATOM   427  N NH2 . ARG A 1 58  ? 36.266 -13.609 17.528  1.000 25.796  0  58  ARG A NH2 1 ? 
ATOM   428  N N   . ARG A 1 59  ? 43.225 -17.753 13.834  1.000 26.853  0  59  ARG A N   1 ? 
ATOM   429  C CA  . ARG A 1 59  ? 43.973 -18.444 12.779  1.000 27.744  0  59  ARG A CA  1 ? 
ATOM   430  C C   . ARG A 1 59  ? 43.457 -19.871 12.634  1.000 26.156  0  59  ARG A C   1 ? 
ATOM   431  O O   . ARG A 1 59  ? 43.310 -20.380 11.524  1.000 27.999  0  59  ARG A O   1 ? 
ATOM   432  C CB  . ARG A 1 59  ? 45.483 -18.413 13.050  1.000 31.730  0  59  ARG A CB  1 ? 
ATOM   433  C CG  . ARG A 1 59  ? 46.140 -17.046 12.952  1.000 37.665  0  59  ARG A CG  1 ? 
ATOM   434  C CD  . ARG A 1 59  ? 46.211 -16.500 11.512  1.000 49.833  0  59  ARG A CD  1 ? 
ATOM   435  N NE  . ARG A 1 59  ? 46.204 -17.610 10.546  1.000 62.755  0  59  ARG A NE  1 ? 
ATOM   436  C CZ  . ARG A 1 59  ? 45.371 -17.762 9.514   1.000 63.765  0  59  ARG A CZ  1 ? 
ATOM   437  N NH1 . ARG A 1 59  ? 44.898 -18.964 9.223   1.000 44.000  0  59  ARG A NH1 1 ? 
ATOM   438  N NH2 . ARG A 1 59  ? 44.866 -16.706 8.903   1.000 74.675  0  59  ARG A NH2 1 ? 
ATOM   439  N N   . ILE A 1 60  ? 43.170 -20.508 13.774  1.000 25.614  0  60  ILE A N   1 ? 
ATOM   440  C CA  A ILE A 1 60  ? 42.592 -21.838 13.866  0.500 26.709  0  60  ILE A CA  1 ? 
ATOM   441  C CA  B ILE A 1 60  ? 42.648 -21.864 13.740  0.500 27.108  0  60  ILE A CA  1 ? 
ATOM   442  C C   . ILE A 1 60  ? 41.261 -21.853 13.126  1.000 26.274  0  60  ILE A C   1 ? 
ATOM   443  O O   . ILE A 1 60  ? 40.965 -22.739 12.316  1.000 25.744  0  60  ILE A O   1 ? 
ATOM   444  C CB  A ILE A 1 60  ? 42.417 -22.181 15.366  0.500 27.783  0  60  ILE A CB  1 ? 
ATOM   445  C CB  B ILE A 1 60  ? 42.620 -22.564 15.110  0.500 29.839  0  60  ILE A CB  1 ? 
ATOM   446  C CG1 A ILE A 1 60  ? 43.774 -22.458 16.057  0.500 31.105  0  60  ILE A CG1 1 ? 
ATOM   447  C CG1 B ILE A 1 60  ? 44.029 -22.780 15.637  0.500 32.954  0  60  ILE A CG1 1 ? 
ATOM   448  C CG2 A ILE A 1 60  ? 41.422 -23.316 15.604  0.500 28.990  0  60  ILE A CG2 1 ? 
ATOM   449  C CG2 B ILE A 1 60  ? 41.875 -23.901 15.011  0.500 32.558  0  60  ILE A CG2 1 ? 
ATOM   450  C CD1 A ILE A 1 60  ? 43.703 -22.612 17.570  0.500 31.686  0  60  ILE A CD1 1 ? 
ATOM   451  C CD1 B ILE A 1 60  ? 44.826 -23.752 14.796  0.500 33.447  0  60  ILE A CD1 1 ? 
ATOM   452  N N   . GLU A 1 61  ? 40.429 -20.884 13.506  1.000 24.957  0  61  GLU A N   1 ? 
ATOM   453  C CA  . GLU A 1 61  ? 39.084 -20.770 12.958  1.000 21.665  0  61  GLU A CA  1 ? 
ATOM   454  C C   . GLU A 1 61  ? 39.133 -20.587 11.432  1.000 21.787  0  61  GLU A C   1 ? 
ATOM   455  O O   . GLU A 1 61  ? 38.359 -21.195 10.727  1.000 23.204  0  61  GLU A O   1 ? 
ATOM   456  C CB  . GLU A 1 61  ? 38.389 -19.570 13.591  1.000 22.536  0  61  GLU A CB  1 ? 
ATOM   457  C CG  . GLU A 1 61  ? 37.025 -19.253 13.009  1.000 22.534  0  61  GLU A CG  1 ? 
ATOM   458  C CD  . GLU A 1 61  ? 36.391 -18.049 13.696  1.000 24.080  0  61  GLU A CD  1 ? 
ATOM   459  O OE1 . GLU A 1 61  ? 36.990 -16.976 13.808  1.000 25.336  0  61  GLU A OE1 1 ? 
ATOM   460  O OE2 . GLU A 1 61  ? 35.281 -18.255 14.191  1.000 25.049  -1 61  GLU A OE2 1 ? 
ATOM   461  N N   . GLU A 1 62  ? 40.008 -19.701 10.960  1.000 22.731  0  62  GLU A N   1 ? 
ATOM   462  C CA  . GLU A 1 62  ? 40.146 -19.470 9.526   1.000 25.300  0  62  GLU A CA  1 ? 
ATOM   463  C C   . GLU A 1 62  ? 40.525 -20.778 8.809   1.000 25.563  0  62  GLU A C   1 ? 
ATOM   464  O O   . GLU A 1 62  ? 39.966 -21.130 7.784   1.000 24.206  0  62  GLU A O   1 ? 
ATOM   465  C CB  . GLU A 1 62  ? 41.203 -18.419 9.226   1.000 24.222  0  62  GLU A CB  1 ? 
ATOM   466  C CG  . GLU A 1 62  ? 41.379 -18.247 7.725   1.000 26.441  0  62  GLU A CG  1 ? 
ATOM   467  C CD  . GLU A 1 62  ? 42.254 -17.096 7.317   1.000 35.735  0  62  GLU A CD  1 ? 
ATOM   468  O OE1 . GLU A 1 62  ? 42.534 -16.180 8.112   1.000 38.549  0  62  GLU A OE1 1 ? 
ATOM   469  O OE2 . GLU A 1 62  ? 42.647 -17.159 6.123   1.000 39.647  -1 62  GLU A OE2 1 ? 
ATOM   470  N N   . ASP A 1 63  ? 41.469 -21.542 9.366   1.000 24.965  0  63  ASP A N   1 ? 
ATOM   471  C CA  . ASP A 1 63  ? 41.835 -22.838 8.788   1.000 25.762  0  63  ASP A CA  1 ? 
ATOM   472  C C   . ASP A 1 63  ? 40.630 -23.759 8.663   1.000 23.714  0  63  ASP A C   1 ? 
ATOM   473  O O   . ASP A 1 63  ? 40.401 -24.350 7.605   1.000 24.995  0  63  ASP A O   1 ? 
ATOM   474  C CB  . ASP A 1 63  ? 42.967 -23.521 9.543   1.000 26.687  0  63  ASP A CB  1 ? 
ATOM   475  C CG  . ASP A 1 63  ? 44.280 -22.769 9.535   1.000 28.272  0  63  ASP A CG  1 ? 
ATOM   476  O OD1 . ASP A 1 63  ? 44.438 -21.878 8.665   1.000 31.822  0  63  ASP A OD1 1 ? 
ATOM   477  O OD2 . ASP A 1 63  ? 45.096 -22.980 10.464  1.000 31.005  -1 63  ASP A OD2 1 ? 
ATOM   478  N N   . VAL A 1 64  ? 39.863 -23.889 9.739   1.000 23.964  0  64  VAL A N   1 ? 
ATOM   479  C CA  . VAL A 1 64  ? 38.711 -24.772 9.762   1.000 26.033  0  64  VAL A CA  1 ? 
ATOM   480  C C   . VAL A 1 64  ? 37.623 -24.282 8.813   1.000 23.454  0  64  VAL A C   1 ? 
ATOM   481  O O   . VAL A 1 64  ? 36.968 -25.082 8.130   1.000 24.754  0  64  VAL A O   1 ? 
ATOM   482  C CB  . VAL A 1 64  ? 38.209 -24.913 11.218  1.000 28.157  0  64  VAL A CB  1 ? 
ATOM   483  C CG1 . VAL A 1 64  ? 36.869 -25.577 11.333  1.000 30.361  0  64  VAL A CG1 1 ? 
ATOM   484  C CG2 . VAL A 1 64  ? 39.229 -25.644 12.077  1.000 33.401  0  64  VAL A CG2 1 ? 
ATOM   485  N N   . VAL A 1 65  ? 37.383 -22.962 8.780   1.000 23.255  0  65  VAL A N   1 ? 
ATOM   486  C CA  . VAL A 1 65  ? 36.341 -22.437 7.915   1.000 24.187  0  65  VAL A CA  1 ? 
ATOM   487  C C   . VAL A 1 65  ? 36.698 -22.736 6.458   1.000 24.603  0  65  VAL A C   1 ? 
ATOM   488  O O   . VAL A 1 65  ? 35.864 -23.183 5.687   1.000 25.942  0  65  VAL A O   1 ? 
ATOM   489  C CB  . VAL A 1 65  ? 36.106 -20.934 8.163   1.000 25.186  0  65  VAL A CB  1 ? 
ATOM   490  C CG1 . VAL A 1 65  ? 35.305 -20.285 7.039   1.000 26.366  0  65  VAL A CG1 1 ? 
ATOM   491  C CG2 . VAL A 1 65  ? 35.497 -20.708 9.532   1.000 25.424  0  65  VAL A CG2 1 ? 
ATOM   492  N N   . ARG A 1 66  ? 37.954 -22.462 6.080   1.000 24.997  0  66  ARG A N   1 ? 
ATOM   493  C CA  . ARG A 1 66  ? 38.425 -22.711 4.731   1.000 25.104  0  66  ARG A CA  1 ? 
ATOM   494  C C   . ARG A 1 66  ? 38.258 -24.173 4.339   1.000 25.999  0  66  ARG A C   1 ? 
ATOM   495  O O   . ARG A 1 66  ? 37.770 -24.481 3.246   1.000 27.885  0  66  ARG A O   1 ? 
ATOM   496  C CB  . ARG A 1 66  ? 39.885 -22.272 4.594   1.000 25.464  0  66  ARG A CB  1 ? 
ATOM   497  C CG  . ARG A 1 66  ? 39.998 -20.759 4.516   1.000 26.428  0  66  ARG A CG  1 ? 
ATOM   498  C CD  . ARG A 1 66  ? 41.484 -20.421 4.503   1.000 32.364  0  66  ARG A CD  1 ? 
ATOM   499  N NE  . ARG A 1 66  ? 41.692 -19.146 3.830   1.000 41.670  0  66  ARG A NE  1 ? 
ATOM   500  C CZ  . ARG A 1 66  ? 41.625 -18.902 2.520   1.000 37.233  0  66  ARG A CZ  1 ? 
ATOM   501  N NH1 . ARG A 1 66  ? 41.982 -19.843 1.654   1.000 45.312  0  66  ARG A NH1 1 ? 
ATOM   502  N NH2 . ARG A 1 66  ? 41.347 -17.671 2.118   1.000 32.122  0  66  ARG A NH2 1 ? 
ATOM   503  N N   . ALA A 1 67  ? 38.600 -25.083 5.256   1.000 26.691  0  67  ALA A N   1 ? 
ATOM   504  C CA  . ALA A 1 67  ? 38.436 -26.510 5.011   1.000 26.733  0  67  ALA A CA  1 ? 
ATOM   505  C C   . ALA A 1 67  ? 36.968 -26.869 4.821   1.000 28.998  0  67  ALA A C   1 ? 
ATOM   506  O O   . ALA A 1 67  ? 36.641 -27.702 3.982   1.000 29.432  0  67  ALA A O   1 ? 
ATOM   507  C CB  . ALA A 1 67  ? 38.992 -27.368 6.145   1.000 29.944  0  67  ALA A CB  1 ? 
ATOM   508  N N   . ALA A 1 68  ? 36.111 -26.319 5.682   1.000 28.201  0  68  ALA A N   1 ? 
ATOM   509  C CA  . ALA A 1 68  ? 34.701 -26.631 5.649   1.000 26.781  0  68  ALA A CA  1 ? 
ATOM   510  C C   . ALA A 1 68  ? 34.068 -26.139 4.345   1.000 27.802  0  68  ALA A C   1 ? 
ATOM   511  O O   . ALA A 1 68  ? 33.180 -26.769 3.782   1.000 27.520  0  68  ALA A O   1 ? 
ATOM   512  C CB  . ALA A 1 68  ? 34.033 -26.018 6.859   1.000 29.511  0  68  ALA A CB  1 ? 
ATOM   513  N N   . LEU A 1 69  ? 34.472 -24.954 3.877   1.000 26.912  0  69  LEU A N   1 ? 
ATOM   514  C CA  . LEU A 1 69  ? 33.960 -24.448 2.609   1.000 28.363  0  69  LEU A CA  1 ? 
ATOM   515  C C   . LEU A 1 69  ? 34.349 -25.357 1.441   1.000 28.238  0  69  LEU A C   1 ? 
ATOM   516  O O   . LEU A 1 69  ? 33.641 -25.418 0.443   1.000 28.924  0  69  LEU A O   1 ? 
ATOM   517  C CB  . LEU A 1 69  ? 34.411 -23.014 2.364   1.000 25.161  0  69  LEU A CB  1 ? 
ATOM   518  C CG  . LEU A 1 69  ? 33.847 -21.943 3.298   1.000 23.979  0  69  LEU A CG  1 ? 
ATOM   519  C CD1 . LEU A 1 69  ? 34.644 -20.650 3.226   1.000 26.299  0  69  LEU A CD1 1 ? 
ATOM   520  C CD2 . LEU A 1 69  ? 32.412 -21.658 2.946   1.000 22.158  0  69  LEU A CD2 1 ? 
ATOM   521  N N   . ALA A 1 70  ? 35.505 -25.998 1.527   1.000 28.590  0  70  ALA A N   1 ? 
ATOM   522  C CA  . ALA A 1 70  ? 35.941 -26.952 0.518   1.000 34.467  0  70  ALA A CA  1 ? 
ATOM   523  C C   . ALA A 1 70  ? 35.202 -28.283 0.617   1.000 35.839  0  70  ALA A C   1 ? 
ATOM   524  O O   . ALA A 1 70  ? 34.880 -28.849 -0.412  1.000 38.206  0  70  ALA A O   1 ? 
ATOM   525  C CB  . ALA A 1 70  ? 37.438 -27.166 0.626   1.000 33.696  0  70  ALA A CB  1 ? 
ATOM   526  N N   . ASP A 1 71  ? 34.919 -28.777 1.825   1.000 36.449  0  71  ASP A N   1 ? 
ATOM   527  C CA  . ASP A 1 71  ? 34.639 -30.191 2.031   1.000 38.961  0  71  ASP A CA  1 ? 
ATOM   528  C C   . ASP A 1 71  ? 33.202 -30.466 2.457   1.000 40.023  0  71  ASP A C   1 ? 
ATOM   529  O O   . ASP A 1 71  ? 32.757 -31.604 2.392   1.000 43.844  0  71  ASP A O   1 ? 
ATOM   530  C CB  . ASP A 1 71  ? 35.611 -30.777 3.045   1.000 43.647  0  71  ASP A CB  1 ? 
ATOM   531  C CG  . ASP A 1 71  ? 37.086 -30.711 2.653   1.000 46.172  0  71  ASP A CG  1 ? 
ATOM   532  O OD1 . ASP A 1 71  ? 37.387 -30.656 1.440   1.000 56.351  -1 71  ASP A OD1 1 ? 
ATOM   533  O OD2 . ASP A 1 71  ? 37.928 -30.676 3.564   1.000 53.726  0  71  ASP A OD2 1 ? 
ATOM   534  N N   . HIS A 1 72  ? 32.487 -29.470 2.982   1.000 36.029  0  72  HIS A N   1 ? 
ATOM   535  C CA  . HIS A 1 72  ? 31.157 -29.730 3.502   1.000 35.611  0  72  HIS A CA  1 ? 
ATOM   536  C C   . HIS A 1 72  ? 30.156 -29.390 2.410   1.000 41.253  0  72  HIS A C   1 ? 
ATOM   537  O O   . HIS A 1 72  ? 30.277 -28.340 1.771   1.000 37.219  0  72  HIS A O   1 ? 
ATOM   538  C CB  . HIS A 1 72  ? 30.907 -28.955 4.796   1.000 35.640  0  72  HIS A CB  1 ? 
ATOM   539  C CG  . HIS A 1 72  ? 29.525 -29.084 5.356   1.000 36.485  0  72  HIS A CG  1 ? 
ATOM   540  N ND1 . HIS A 1 72  ? 29.095 -30.286 5.869   1.000 36.678  0  72  HIS A ND1 1 ? 
ATOM   541  C CD2 . HIS A 1 72  ? 28.515 -28.231 5.535   1.000 33.407  0  72  HIS A CD2 1 ? 
ATOM   542  C CE1 . HIS A 1 72  ? 27.884 -30.140 6.377   1.000 36.076  0  72  HIS A CE1 1 ? 
ATOM   543  N NE2 . HIS A 1 72  ? 27.504 -28.899 6.185   1.000 35.153  0  72  HIS A NE2 1 ? 
ATOM   544  N N   . ASP A 1 73  ? 29.172 -30.284 2.216   1.000 38.737  0  73  ASP A N   1 ? 
ATOM   545  C CA  . ASP A 1 73  ? 28.206 -30.132 1.138   1.000 40.689  0  73  ASP A CA  1 ? 
ATOM   546  C C   . ASP A 1 73  ? 26.835 -29.744 1.671   1.000 38.333  0  73  ASP A C   1 ? 
ATOM   547  O O   . ASP A 1 73  ? 25.888 -29.697 0.902   1.000 39.423  0  73  ASP A O   1 ? 
ATOM   548  C CB  . ASP A 1 73  ? 28.090 -31.397 0.296   1.000 41.116  0  73  ASP A CB  1 ? 
ATOM   549  C CG  . ASP A 1 73  ? 29.407 -31.869 -0.300  1.000 52.869  0  73  ASP A CG  1 ? 
ATOM   550  O OD1 . ASP A 1 73  ? 30.133 -31.014 -0.863  1.000 53.922  -1 73  ASP A OD1 1 ? 
ATOM   551  O OD2 . ASP A 1 73  ? 29.706 -33.081 -0.179  1.000 54.563  0  73  ASP A OD2 1 ? 
ATOM   552  N N   . GLY A 1 74  ? 26.735 -29.446 2.968   1.000 34.315  0  74  GLY A N   1 ? 
ATOM   553  C CA  . GLY A 1 74  ? 25.470 -29.131 3.591   1.000 34.424  0  74  GLY A CA  1 ? 
ATOM   554  C C   . GLY A 1 74  ? 25.345 -27.648 3.909   1.000 31.501  0  74  GLY A C   1 ? 
ATOM   555  O O   . GLY A 1 74  ? 25.730 -26.807 3.111   1.000 29.818  0  74  GLY A O   1 ? 
ATOM   556  N N   . VAL A 1 75  ? 24.730 -27.349 5.053   1.000 30.480  0  75  VAL A N   1 ? 
ATOM   557  C CA  . VAL A 1 75  ? 24.590 -25.978 5.526   1.000 26.396  0  75  VAL A CA  1 ? 
ATOM   558  C C   . VAL A 1 75  ? 25.781 -25.767 6.455   1.000 29.132  0  75  VAL A C   1 ? 
ATOM   559  O O   . VAL A 1 75  ? 26.071 -26.643 7.267   1.000 28.079  0  75  VAL A O   1 ? 
ATOM   560  C CB  . VAL A 1 75  ? 23.255 -25.713 6.238   1.000 28.067  0  75  VAL A CB  1 ? 
ATOM   561  C CG1 . VAL A 1 75  ? 23.184 -24.321 6.876   1.000 29.570  0  75  VAL A CG1 1 ? 
ATOM   562  C CG2 . VAL A 1 75  ? 22.062 -25.901 5.300   1.000 30.504  0  75  VAL A CG2 1 ? 
ATOM   563  N N   . LEU A 1 76  ? 26.500 -24.646 6.278   1.000 26.561  0  76  LEU A N   1 ? 
ATOM   564  C CA  . LEU A 1 76  ? 27.588 -24.290 7.165   1.000 26.485  0  76  LEU A CA  1 ? 
ATOM   565  C C   . LEU A 1 76  ? 27.228 -23.055 7.986   1.000 25.873  0  76  LEU A C   1 ? 
ATOM   566  O O   . LEU A 1 76  ? 26.747 -22.068 7.431   1.000 25.107  0  76  LEU A O   1 ? 
ATOM   567  C CB  . LEU A 1 76  ? 28.751 -24.026 6.215   1.000 25.522  0  76  LEU A CB  1 ? 
ATOM   568  C CG  . LEU A 1 76  ? 30.102 -23.751 6.883   1.000 29.081  0  76  LEU A CG  1 ? 
ATOM   569  C CD1 . LEU A 1 76  ? 30.524 -24.880 7.755   1.000 26.863  0  76  LEU A CD1 1 ? 
ATOM   570  C CD2 . LEU A 1 76  ? 31.183 -23.458 5.883   1.000 28.102  0  76  LEU A CD2 1 ? 
ATOM   571  N N   . SER A 1 77  ? 27.448 -23.109 9.308   1.000 24.151  0  77  SER A N   1 ? 
ATOM   572  C CA  A SER A 1 77  ? 27.260 -21.965 10.181  0.500 24.177  0  77  SER A CA  1 ? 
ATOM   573  C CA  B SER A 1 77  ? 27.271 -21.919 10.128  0.500 24.258  0  77  SER A CA  1 ? 
ATOM   574  C C   . SER A 1 77  ? 28.638 -21.519 10.661  1.000 24.182  0  77  SER A C   1 ? 
ATOM   575  O O   . SER A 1 77  ? 29.396 -22.344 11.157  1.000 23.884  0  77  SER A O   1 ? 
ATOM   576  C CB  A SER A 1 77  ? 26.335 -22.345 11.322  0.500 25.237  0  77  SER A CB  1 ? 
ATOM   577  C CB  B SER A 1 77  ? 26.271 -22.089 11.250  0.500 25.302  0  77  SER A CB  1 ? 
ATOM   578  O OG  A SER A 1 77  ? 26.252 -21.331 12.299  0.500 26.652  0  77  SER A OG  1 ? 
ATOM   579  O OG  B SER A 1 77  ? 26.784 -22.991 12.213  0.500 27.828  0  77  SER A OG  1 ? 
ATOM   580  N N   . LEU A 1 78  ? 28.979 -20.247 10.483  1.000 22.353  0  78  LEU A N   1 ? 
ATOM   581  C CA  . LEU A 1 78  ? 30.278 -19.761 10.923  1.000 24.410  0  78  LEU A CA  1 ? 
ATOM   582  C C   . LEU A 1 78  ? 30.114 -19.102 12.286  1.000 24.450  0  78  LEU A C   1 ? 
ATOM   583  O O   . LEU A 1 78  ? 29.157 -18.337 12.469  1.000 25.921  0  78  LEU A O   1 ? 
ATOM   584  C CB  . LEU A 1 78  ? 30.865 -18.742 9.955   1.000 27.999  0  78  LEU A CB  1 ? 
ATOM   585  C CG  . LEU A 1 78  ? 31.074 -19.168 8.507   1.000 31.163  0  78  LEU A CG  1 ? 
ATOM   586  C CD1 . LEU A 1 78  ? 31.999 -18.090 7.927   1.000 31.475  0  78  LEU A CD1 1 ? 
ATOM   587  C CD2 . LEU A 1 78  ? 31.522 -20.604 8.269   1.000 27.475  0  78  LEU A CD2 1 ? 
ATOM   588  N N   . GLY A 1 79  ? 31.142 -19.238 13.146  1.000 23.418  0  79  GLY A N   1 ? 
ATOM   589  C CA  . GLY A 1 79  ? 31.186 -18.504 14.395  1.000 23.460  0  79  GLY A CA  1 ? 
ATOM   590  C C   . GLY A 1 79  ? 31.024 -17.003 14.140  1.000 22.707  0  79  GLY A C   1 ? 
ATOM   591  O O   . GLY A 1 79  ? 31.473 -16.492 13.111  1.000 22.984  0  79  GLY A O   1 ? 
ATOM   592  N N   . GLY A 1 80  ? 30.472 -16.295 15.123  1.000 25.829  0  80  GLY A N   1 ? 
ATOM   593  C CA  . GLY A 1 80  ? 30.110 -14.894 14.961  1.000 24.033  0  80  GLY A CA  1 ? 
ATOM   594  C C   . GLY A 1 80  ? 31.255 -13.982 14.534  1.000 24.719  0  80  GLY A C   1 ? 
ATOM   595  O O   . GLY A 1 80  ? 31.031 -12.989 13.855  1.000 27.443  0  80  GLY A O   1 ? 
ATOM   596  N N   . GLY A 1 81  ? 32.493 -14.319 14.910  1.000 22.545  0  81  GLY A N   1 ? 
ATOM   597  C CA  . GLY A 1 81  ? 33.621 -13.435 14.655  1.000 21.339  0  81  GLY A CA  1 ? 
ATOM   598  C C   . GLY A 1 81  ? 34.502 -13.874 13.476  1.000 22.094  0  81  GLY A C   1 ? 
ATOM   599  O O   . GLY A 1 81  ? 35.507 -13.243 13.169  1.000 22.635  0  81  GLY A O   1 ? 
ATOM   600  N N   . ALA A 1 82  ? 34.102 -14.923 12.784  1.000 23.823  0  82  ALA A N   1 ? 
ATOM   601  C CA  . ALA A 1 82  ? 34.897 -15.478 11.699  1.000 25.078  0  82  ALA A CA  1 ? 
ATOM   602  C C   . ALA A 1 82  ? 35.138 -14.462 10.593  1.000 24.230  0  82  ALA A C   1 ? 
ATOM   603  O O   . ALA A 1 82  ? 36.199 -14.435 9.992   1.000 22.225  0  82  ALA A O   1 ? 
ATOM   604  C CB  . ALA A 1 82  ? 34.220 -16.697 11.150  1.000 23.718  0  82  ALA A CB  1 ? 
ATOM   605  N N   . VAL A 1 83  ? 34.146 -13.605 10.353  1.000 22.058  0  83  VAL A N   1 ? 
ATOM   606  C CA  . VAL A 1 83  ? 34.240 -12.626 9.284   1.000 24.835  0  83  VAL A CA  1 ? 
ATOM   607  C C   . VAL A 1 83  ? 35.220 -11.506 9.620   1.000 23.934  0  83  VAL A C   1 ? 
ATOM   608  O O   . VAL A 1 83  ? 35.482 -10.712 8.718   1.000 24.507  0  83  VAL A O   1 ? 
ATOM   609  C CB  . VAL A 1 83  ? 32.895 -11.993 8.912   1.000 25.918  0  83  VAL A CB  1 ? 
ATOM   610  C CG1 . VAL A 1 83  ? 31.901 -13.039 8.419   1.000 30.408  0  83  VAL A CG1 1 ? 
ATOM   611  C CG2 . VAL A 1 83  ? 32.356 -11.175 10.070  1.000 27.578  0  83  VAL A CG2 1 ? 
ATOM   612  N N   . THR A 1 84  ? 35.761 -11.447 10.848  1.000 23.077  0  84  THR A N   1 ? 
ATOM   613  C CA  . THR A 1 84  ? 36.797 -10.461 11.174  1.000 25.006  0  84  THR A CA  1 ? 
ATOM   614  C C   . THR A 1 84  ? 38.124 -10.846 10.525  1.000 25.419  0  84  THR A C   1 ? 
ATOM   615  O O   . THR A 1 84  ? 39.028 -10.024 10.445  1.000 26.677  0  84  THR A O   1 ? 
ATOM   616  C CB  . THR A 1 84  ? 36.971 -10.246 12.686  1.000 26.849  0  84  THR A CB  1 ? 
ATOM   617  O OG1 . THR A 1 84  ? 37.442 -11.464 13.266  1.000 26.639  0  84  THR A OG1 1 ? 
ATOM   618  C CG2 . THR A 1 84  ? 35.697 -9.735  13.346  1.000 31.925  0  84  THR A CG2 1 ? 
ATOM   619  N N   . SER A 1 85  ? 38.266 -12.102 10.080  1.000 23.657  0  85  SER A N   1 ? 
ATOM   620  C CA  . SER A 1 85  ? 39.466 -12.557 9.419   1.000 25.017  0  85  SER A CA  1 ? 
ATOM   621  C C   . SER A 1 85  ? 39.343 -12.289 7.920   1.000 25.939  0  85  SER A C   1 ? 
ATOM   622  O O   . SER A 1 85  ? 38.424 -12.817 7.267   1.000 24.054  0  85  SER A O   1 ? 
ATOM   623  C CB  . SER A 1 85  ? 39.698 -14.028 9.669   1.000 24.968  0  85  SER A CB  1 ? 
ATOM   624  O OG  . SER A 1 85  ? 39.947 -14.223 11.055  1.000 27.442  0  85  SER A OG  1 ? 
ATOM   625  N N   . PRO A 1 86  ? 40.269 -11.495 7.332   1.000 29.102  0  86  PRO A N   1 ? 
ATOM   626  C CA  . PRO A 1 86  ? 40.268 -11.260 5.872   1.000 30.149  0  86  PRO A CA  1 ? 
ATOM   627  C C   . PRO A 1 86  ? 40.247 -12.539 5.027   1.000 28.716  0  86  PRO A C   1 ? 
ATOM   628  O O   . PRO A 1 86  ? 39.617 -12.577 3.958   1.000 27.061  0  86  PRO A O   1 ? 
ATOM   629  C CB  . PRO A 1 86  ? 41.579 -10.411 5.617   1.000 37.096  0  86  PRO A CB  1 ? 
ATOM   630  C CG  . PRO A 1 86  ? 41.897 -9.784  6.966   1.000 36.093  0  86  PRO A CG  1 ? 
ATOM   631  C CD  . PRO A 1 86  ? 41.344 -10.747 8.027   1.000 31.737  0  86  PRO A CD  1 ? 
ATOM   632  N N   . GLY A 1 87  ? 40.988 -13.544 5.480   1.000 26.218  0  87  GLY A N   1 ? 
ATOM   633  C CA  . GLY A 1 87  ? 41.124 -14.811 4.777   1.000 27.403  0  87  GLY A CA  1 ? 
ATOM   634  C C   . GLY A 1 87  ? 39.799 -15.587 4.744   1.000 25.657  0  87  GLY A C   1 ? 
ATOM   635  O O   . GLY A 1 87  ? 39.498 -16.325 3.790   1.000 25.498  0  87  GLY A O   1 ? 
ATOM   636  N N   . VAL A 1 88  ? 39.000 -15.411 5.806   1.000 23.481  0  88  VAL A N   1 ? 
ATOM   637  C CA  . VAL A 1 88  ? 37.667 -15.969 5.810   1.000 22.525  0  88  VAL A CA  1 ? 
ATOM   638  C C   . VAL A 1 88  ? 36.822 -15.246 4.768   1.000 21.306  0  88  VAL A C   1 ? 
ATOM   639  O O   . VAL A 1 88  ? 36.084 -15.868 4.016   1.000 23.168  0  88  VAL A O   1 ? 
ATOM   640  C CB  . VAL A 1 88  ? 37.057 -15.920 7.218   1.000 22.224  0  88  VAL A CB  1 ? 
ATOM   641  C CG1 . VAL A 1 88  ? 35.558 -16.206 7.195   1.000 22.033  0  88  VAL A CG1 1 ? 
ATOM   642  C CG2 . VAL A 1 88  ? 37.775 -16.903 8.140   1.000 22.063  0  88  VAL A CG2 1 ? 
ATOM   643  N N   . ARG A 1 89  ? 36.861 -13.920 4.786   1.000 23.194  0  89  ARG A N   1 ? 
ATOM   644  C CA  . ARG A 1 89  ? 36.023 -13.169 3.869   1.000 25.227  0  89  ARG A CA  1 ? 
ATOM   645  C C   . ARG A 1 89  ? 36.396 -13.531 2.430   1.000 25.871  0  89  ARG A C   1 ? 
ATOM   646  O O   . ARG A 1 89  ? 35.523 -13.689 1.547   1.000 23.096  0  89  ARG A O   1 ? 
ATOM   647  C CB  . ARG A 1 89  ? 36.170 -11.658 4.092   1.000 27.361  0  89  ARG A CB  1 ? 
ATOM   648  C CG  . ARG A 1 89  ? 35.690 -11.215 5.469   1.000 25.698  0  89  ARG A CG  1 ? 
ATOM   649  C CD  . ARG A 1 89  ? 35.384 -9.735  5.580   1.000 25.364  0  89  ARG A CD  1 ? 
ATOM   650  N NE  . ARG A 1 89  ? 36.577 -8.930  5.332   1.000 28.500  0  89  ARG A NE  1 ? 
ATOM   651  C CZ  . ARG A 1 89  ? 37.520 -8.620  6.233   1.000 31.295  0  89  ARG A CZ  1 ? 
ATOM   652  N NH1 . ARG A 1 89  ? 37.460 -9.031  7.498   1.000 27.262  0  89  ARG A NH1 1 ? 
ATOM   653  N NH2 . ARG A 1 89  ? 38.517 -7.816  5.888   1.000 31.643  0  89  ARG A NH2 1 ? 
ATOM   654  N N   . ALA A 1 90  ? 37.704 -13.655 2.162   1.000 25.330  0  90  ALA A N   1 ? 
ATOM   655  C CA  . ALA A 1 90  ? 38.158 -14.030 0.823   1.000 25.070  0  90  ALA A CA  1 ? 
ATOM   656  C C   . ALA A 1 90  ? 37.620 -15.401 0.405   1.000 24.526  0  90  ALA A C   1 ? 
ATOM   657  O O   . ALA A 1 90  ? 37.204 -15.589 -0.742  1.000 23.382  0  90  ALA A O   1 ? 
ATOM   658  C CB  . ALA A 1 90  ? 39.692 -14.039 0.794   1.000 27.923  0  90  ALA A CB  1 ? 
ATOM   659  N N   . ALA A 1 91  ? 37.688 -16.383 1.312   1.000 23.138  0  91  ALA A N   1 ? 
ATOM   660  C CA  . ALA A 1 91  ? 37.293 -17.753 1.009   1.000 24.364  0  91  ALA A CA  1 ? 
ATOM   661  C C   . ALA A 1 91  ? 35.790 -17.831 0.748   1.000 23.314  0  91  ALA A C   1 ? 
ATOM   662  O O   . ALA A 1 91  ? 35.332 -18.728 0.044   1.000 24.856  0  91  ALA A O   1 ? 
ATOM   663  C CB  . ALA A 1 91  ? 37.621 -18.723 2.116   1.000 25.121  0  91  ALA A CB  1 ? 
ATOM   664  N N   . LEU A 1 92  ? 35.034 -16.907 1.344   1.000 22.099  0  92  LEU A N   1 ? 
ATOM   665  C CA  . LEU A 1 92  ? 33.587 -16.897 1.131   1.000 22.759  0  92  LEU A CA  1 ? 
ATOM   666  C C   . LEU A 1 92  ? 33.197 -16.414 -0.264  1.000 23.889  0  92  LEU A C   1 ? 
ATOM   667  O O   . LEU A 1 92  ? 32.050 -16.553 -0.633  1.000 22.496  0  92  LEU A O   1 ? 
ATOM   668  C CB  . LEU A 1 92  ? 32.965 -16.005 2.190   1.000 22.771  0  92  LEU A CB  1 ? 
ATOM   669  C CG  . LEU A 1 92  ? 32.849 -16.600 3.588   1.000 22.819  0  92  LEU A CG  1 ? 
ATOM   670  C CD1 . LEU A 1 92  ? 32.372 -15.580 4.577   1.000 23.077  0  92  LEU A CD1 1 ? 
ATOM   671  C CD2 . LEU A 1 92  ? 31.904 -17.786 3.636   1.000 23.643  0  92  LEU A CD2 1 ? 
ATOM   672  N N   . ALA A 1 93  ? 34.088 -15.738 -0.999  1.000 23.803  0  93  ALA A N   1 ? 
ATOM   673  C CA  . ALA A 1 93  ? 33.753 -15.280 -2.344  1.000 25.877  0  93  ALA A CA  1 ? 
ATOM   674  C C   . ALA A 1 93  ? 33.204 -16.419 -3.195  1.000 23.733  0  93  ALA A C   1 ? 
ATOM   675  O O   . ALA A 1 93  ? 33.820 -17.475 -3.313  1.000 22.501  0  93  ALA A O   1 ? 
ATOM   676  C CB  . ALA A 1 93  ? 34.936 -14.613 -2.992  1.000 23.098  0  93  ALA A CB  1 ? 
ATOM   677  N N   . GLY A 1 94  ? 32.041 -16.179 -3.833  1.000 21.654  0  94  GLY A N   1 ? 
ATOM   678  C CA  . GLY A 1 94  ? 31.451 -17.183 -4.700  1.000 21.770  0  94  GLY A CA  1 ? 
ATOM   679  C C   . GLY A 1 94  ? 30.402 -18.051 -4.015  1.000 21.997  0  94  GLY A C   1 ? 
ATOM   680  O O   . GLY A 1 94  ? 29.665 -18.761 -4.697  1.000 22.759  0  94  GLY A O   1 ? 
ATOM   681  N N   . HIS A 1 95  ? 30.340 -18.054 -2.669  1.000 20.660  0  95  HIS A N   1 ? 
ATOM   682  C CA  . HIS A 1 95  ? 29.392 -18.891 -1.955  1.000 20.799  0  95  HIS A CA  1 ? 
ATOM   683  C C   . HIS A 1 95  ? 28.062 -18.170 -1.784  1.000 21.217  0  95  HIS A C   1 ? 
ATOM   684  O O   . HIS A 1 95  ? 27.975 -16.955 -1.902  1.000 22.534  0  95  HIS A O   1 ? 
ATOM   685  C CB  . HIS A 1 95  ? 29.908 -19.285 -0.566  1.000 20.933  0  95  HIS A CB  1 ? 
ATOM   686  C CG  . HIS A 1 95  ? 31.029 -20.271 -0.665  1.000 20.591  0  95  HIS A CG  1 ? 
ATOM   687  N ND1 . HIS A 1 95  ? 30.834 -21.619 -0.839  1.000 24.517  0  95  HIS A ND1 1 ? 
ATOM   688  C CD2 . HIS A 1 95  ? 32.379 -20.065 -0.704  1.000 23.086  0  95  HIS A CD2 1 ? 
ATOM   689  C CE1 . HIS A 1 95  ? 32.026 -22.215 -0.978  1.000 25.638  0  95  HIS A CE1 1 ? 
ATOM   690  N NE2 . HIS A 1 95  ? 32.981 -21.279 -0.840  1.000 22.671  0  95  HIS A NE2 1 ? 
ATOM   691  N N   . THR A 1 96  ? 27.048 -18.970 -1.472  1.000 21.770  0  96  THR A N   1 ? 
ATOM   692  C CA  . THR A 1 96  ? 25.781 -18.446 -1.008  1.000 20.210  0  96  THR A CA  1 ? 
ATOM   693  C C   . THR A 1 96  ? 25.946 -18.190 0.483   1.000 20.265  0  96  THR A C   1 ? 
ATOM   694  O O   . THR A 1 96  ? 26.189 -19.137 1.227   1.000 23.538  0  96  THR A O   1 ? 
ATOM   695  C CB  . THR A 1 96  ? 24.696 -19.497 -1.240  1.000 24.002  0  96  THR A CB  1 ? 
ATOM   696  O OG1 . THR A 1 96  ? 24.510 -19.626 -2.658  1.000 25.756  0  96  THR A OG1 1 ? 
ATOM   697  C CG2 . THR A 1 96  ? 23.387 -19.074 -0.611  1.000 26.628  0  96  THR A CG2 1 ? 
ATOM   698  N N   . VAL A 1 97  ? 25.790 -16.943 0.875   1.000 21.611  0  97  VAL A N   1 ? 
ATOM   699  C CA  . VAL A 1 97  ? 26.072 -16.522 2.239   1.000 21.343  0  97  VAL A CA  1 ? 
ATOM   700  C C   . VAL A 1 97  ? 24.850 -15.774 2.751   1.000 25.146  0  97  VAL A C   1 ? 
ATOM   701  O O   . VAL A 1 97  ? 24.540 -14.715 2.224   1.000 25.627  0  97  VAL A O   1 ? 
ATOM   702  C CB  . VAL A 1 97  ? 27.295 -15.586 2.284   1.000 22.851  0  97  VAL A CB  1 ? 
ATOM   703  C CG1 . VAL A 1 97  ? 27.628 -15.197 3.713   1.000 21.477  0  97  VAL A CG1 1 ? 
ATOM   704  C CG2 . VAL A 1 97  ? 28.523 -16.282 1.691   1.000 23.567  0  97  VAL A CG2 1 ? 
ATOM   705  N N   . VAL A 1 98  ? 24.237 -16.321 3.796   1.000 26.570  0  98  VAL A N   1 ? 
ATOM   706  C CA  . VAL A 1 98  ? 23.027 -15.741 4.354   1.000 25.095  0  98  VAL A CA  1 ? 
ATOM   707  C C   . VAL A 1 98  ? 23.391 -15.031 5.646   1.000 24.433  0  98  VAL A C   1 ? 
ATOM   708  O O   . VAL A 1 98  ? 23.870 -15.668 6.587   1.000 25.188  0  98  VAL A O   1 ? 
ATOM   709  C CB  . VAL A 1 98  ? 21.947 -16.805 4.587   1.000 25.832  0  98  VAL A CB  1 ? 
ATOM   710  C CG1 . VAL A 1 98  ? 20.660 -16.182 5.155   1.000 29.991  0  98  VAL A CG1 1 ? 
ATOM   711  C CG2 . VAL A 1 98  ? 21.682 -17.676 3.374   1.000 30.564  0  98  VAL A CG2 1 ? 
ATOM   712  N N   . TYR A 1 99  ? 23.202 -13.727 5.660   1.000 24.794  0  99  TYR A N   1 ? 
ATOM   713  C CA  . TYR A 1 99  ? 23.438 -12.879 6.820   1.000 26.439  0  99  TYR A CA  1 ? 
ATOM   714  C C   . TYR A 1 99  ? 22.158 -12.753 7.636   1.000 28.638  0  99  TYR A C   1 ? 
ATOM   715  O O   . TYR A 1 99  ? 21.167 -12.240 7.137   1.000 30.119  0  99  TYR A O   1 ? 
ATOM   716  C CB  . TYR A 1 99  ? 23.950 -11.512 6.385   1.000 25.362  0  99  TYR A CB  1 ? 
ATOM   717  C CG  . TYR A 1 99  ? 24.081 -10.432 7.445   1.000 27.087  0  99  TYR A CG  1 ? 
ATOM   718  C CD1 . TYR A 1 99  ? 24.241 -10.719 8.811   1.000 27.559  0  99  TYR A CD1 1 ? 
ATOM   719  C CD2 . TYR A 1 99  ? 24.039 -9.100  7.064   1.000 29.795  0  99  TYR A CD2 1 ? 
ATOM   720  C CE1 . TYR A 1 99  ? 24.368 -9.709  9.736   1.000 27.404  0  99  TYR A CE1 1 ? 
ATOM   721  C CE2 . TYR A 1 99  ? 24.194 -8.078  7.978   1.000 32.057  0  99  TYR A CE2 1 ? 
ATOM   722  C CZ  . TYR A 1 99  ? 24.352 -8.382  9.311   1.000 33.752  0  99  TYR A CZ  1 ? 
ATOM   723  O OH  . TYR A 1 99  ? 24.506 -7.378  10.185  1.000 31.877  0  99  TYR A OH  1 ? 
ATOM   724  N N   . LEU A 1 100 ? 22.195 -13.314 8.853   1.000 29.553  0  100 LEU A N   1 ? 
ATOM   725  C CA  . LEU A 1 100 ? 21.080 -13.253 9.802   1.000 28.552  0  100 LEU A CA  1 ? 
ATOM   726  C C   . LEU A 1 100 ? 21.261 -12.000 10.627  1.000 29.858  0  100 LEU A C   1 ? 
ATOM   727  O O   . LEU A 1 100 ? 22.210 -11.905 11.404  1.000 28.063  0  100 LEU A O   1 ? 
ATOM   728  C CB  . LEU A 1 100 ? 21.117 -14.517 10.659  1.000 29.728  0  100 LEU A CB  1 ? 
ATOM   729  C CG  . LEU A 1 100 ? 20.976 -15.840 9.901   1.000 31.049  0  100 LEU A CG  1 ? 
ATOM   730  C CD1 . LEU A 1 100 ? 20.911 -17.008 10.857  1.000 30.549  0  100 LEU A CD1 1 ? 
ATOM   731  C CD2 . LEU A 1 100 ? 19.754 -15.855 8.973   1.000 29.722  0  100 LEU A CD2 1 ? 
ATOM   732  N N   . GLU A 1 101 ? 20.371 -11.022 10.419  1.000 30.892  0  101 GLU A N   1 ? 
ATOM   733  C CA  . GLU A 1 101 ? 20.483 -9.720  11.034  1.000 33.784  0  101 GLU A CA  1 ? 
ATOM   734  C C   . GLU A 1 101 ? 19.520 -9.688  12.223  1.000 36.925  0  101 GLU A C   1 ? 
ATOM   735  O O   . GLU A 1 101 ? 18.408 -10.208 12.128  1.000 33.809  0  101 GLU A O   1 ? 
ATOM   736  C CB  . GLU A 1 101 ? 20.092 -8.541  10.139  1.000 41.732  0  101 GLU A CB  1 ? 
ATOM   737  C CG  . GLU A 1 101 ? 20.743 -8.508  8.763   1.000 43.461  0  101 GLU A CG  1 ? 
ATOM   738  C CD  . GLU A 1 101 ? 20.150 -7.449  7.834   1.000 53.234  0  101 GLU A CD  1 ? 
ATOM   739  O OE1 . GLU A 1 101 ? 18.930 -7.514  7.605   1.000 62.217  0  101 GLU A OE1 1 ? 
ATOM   740  O OE2 . GLU A 1 101 ? 20.880 -6.575  7.329   1.000 55.945  -1 101 GLU A OE2 1 ? 
ATOM   741  N N   . ILE A 1 102 ? 19.973 -9.103  13.334  1.000 32.321  0  102 ILE A N   1 ? 
ATOM   742  C CA  . ILE A 1 102 ? 19.241 -9.072  14.599  1.000 33.778  0  102 ILE A CA  1 ? 
ATOM   743  C C   . ILE A 1 102 ? 19.498 -7.718  15.251  1.000 34.626  0  102 ILE A C   1 ? 
ATOM   744  O O   . ILE A 1 102 ? 20.579 -7.164  15.109  1.000 33.084  0  102 ILE A O   1 ? 
ATOM   745  C CB  . ILE A 1 102 ? 19.649 -10.264 15.504  1.000 35.843  0  102 ILE A CB  1 ? 
ATOM   746  C CG1 . ILE A 1 102 ? 18.745 -10.464 16.698  1.000 41.333  0  102 ILE A CG1 1 ? 
ATOM   747  C CG2 . ILE A 1 102 ? 21.109 -10.165 15.941  1.000 33.466  0  102 ILE A CG2 1 ? 
ATOM   748  C CD1 . ILE A 1 102 ? 17.351 -10.947 16.368  1.000 42.165  0  102 ILE A CD1 1 ? 
ATOM   749  N N   . SER A 1 103 ? 18.478 -7.145  15.906  1.000 33.363  0  103 SER A N   1 ? 
ATOM   750  C CA  . SER A 1 103 ? 18.678 -5.946  16.693  1.000 33.955  0  103 SER A CA  1 ? 
ATOM   751  C C   . SER A 1 103 ? 19.489 -6.305  17.934  1.000 34.040  0  103 SER A C   1 ? 
ATOM   752  O O   . SER A 1 103 ? 19.431 -7.432  18.432  1.000 31.863  0  103 SER A O   1 ? 
ATOM   753  C CB  . SER A 1 103 ? 17.371 -5.312  17.108  1.000 38.420  0  103 SER A CB  1 ? 
ATOM   754  O OG  . SER A 1 103 ? 16.747 -6.169  18.056  1.000 36.964  0  103 SER A OG  1 ? 
ATOM   755  N N   . ALA A 1 104 ? 20.175 -5.293  18.454  1.000 33.966  0  104 ALA A N   1 ? 
ATOM   756  C CA  . ALA A 1 104 ? 20.945 -5.390  19.684  1.000 33.859  0  104 ALA A CA  1 ? 
ATOM   757  C C   . ALA A 1 104 ? 20.067 -5.844  20.840  1.000 37.623  0  104 ALA A C   1 ? 
ATOM   758  O O   . ALA A 1 104 ? 20.464 -6.724  21.595  1.000 32.486  0  104 ALA A O   1 ? 
ATOM   759  C CB  . ALA A 1 104 ? 21.603 -4.065  19.948  1.000 36.997  0  104 ALA A CB  1 ? 
ATOM   760  N N   . ALA A 1 105 ? 18.833 -5.320  20.937  1.000 36.520  0  105 ALA A N   1 ? 
ATOM   761  C CA  . ALA A 1 105 ? 17.958 -5.669  22.051  1.000 37.028  0  105 ALA A CA  1 ? 
ATOM   762  C C   . ALA A 1 105 ? 17.598 -7.150  22.009  1.000 33.252  0  105 ALA A C   1 ? 
ATOM   763  O O   . ALA A 1 105 ? 17.687 -7.833  23.018  1.000 36.361  0  105 ALA A O   1 ? 
ATOM   764  C CB  . ALA A 1 105 ? 16.713 -4.794  22.049  1.000 42.116  0  105 ALA A CB  1 ? 
ATOM   765  N N   . GLU A 1 106 ? 17.248 -7.677  20.834  1.000 32.216  0  106 GLU A N   1 ? 
ATOM   766  C CA  . GLU A 1 106 ? 16.833 -9.067  20.766  1.000 31.915  0  106 GLU A CA  1 ? 
ATOM   767  C C   . GLU A 1 106 ? 18.053 -9.990  20.894  1.000 29.491  0  106 GLU A C   1 ? 
ATOM   768  O O   . GLU A 1 106 ? 17.971 -11.083 21.473  1.000 29.043  0  106 GLU A O   1 ? 
ATOM   769  C CB  . GLU A 1 106 ? 16.026 -9.344  19.496  1.000 37.009  0  106 GLU A CB  1 ? 
ATOM   770  C CG  . GLU A 1 106 ? 15.412 -10.742 19.456  1.000 46.032  0  106 GLU A CG  1 ? 
ATOM   771  C CD  . GLU A 1 106 ? 14.496 -11.108 20.619  1.000 58.935  0  106 GLU A CD  1 ? 
ATOM   772  O OE1 . GLU A 1 106 ? 14.061 -10.196 21.381  1.000 66.609  0  106 GLU A OE1 1 ? 
ATOM   773  O OE2 . GLU A 1 106 ? 14.255 -12.336 20.779  1.000 62.433  -1 106 GLU A OE2 1 ? 
ATOM   774  N N   . GLY A 1 107 ? 19.173 -9.574  20.295  1.000 29.325  0  107 GLY A N   1 ? 
ATOM   775  C CA  . GLY A 1 107 ? 20.378 -10.393 20.356  1.000 29.754  0  107 GLY A CA  1 ? 
ATOM   776  C C   . GLY A 1 107 ? 20.866 -10.573 21.794  1.000 30.410  0  107 GLY A C   1 ? 
ATOM   777  O O   . GLY A 1 107 ? 21.297 -11.648 22.190  1.000 28.408  0  107 GLY A O   1 ? 
ATOM   778  N N   . VAL A 1 108 ? 20.882 -9.463  22.529  1.000 29.153  0  108 VAL A N   1 ? 
ATOM   779  C CA  . VAL A 1 108 ? 21.234 -9.484  23.941  1.000 32.204  0  108 VAL A CA  1 ? 
ATOM   780  C C   . VAL A 1 108 ? 20.320 -10.438 24.709  1.000 31.269  0  108 VAL A C   1 ? 
ATOM   781  O O   . VAL A 1 108 ? 20.789 -11.216 25.540  1.000 32.441  0  108 VAL A O   1 ? 
ATOM   782  C CB  . VAL A 1 108 ? 21.132 -8.054  24.502  1.000 31.748  0  108 VAL A CB  1 ? 
ATOM   783  C CG1 . VAL A 1 108 ? 21.066 -8.068  26.035  1.000 35.024  0  108 VAL A CG1 1 ? 
ATOM   784  C CG2 . VAL A 1 108 ? 22.278 -7.201  23.980  1.000 30.741  0  108 VAL A CG2 1 ? 
ATOM   785  N N   . ARG A 1 109 ? 19.013 -10.350 24.450  1.000 33.409  0  109 ARG A N   1 ? 
ATOM   786  C CA  A ARG A 1 109 ? 18.049 -11.180 25.151  0.500 37.228  0  109 ARG A CA  1 ? 
ATOM   787  C CA  B ARG A 1 109 ? 18.031 -11.178 25.131  0.500 36.769  0  109 ARG A CA  1 ? 
ATOM   788  C C   . ARG A 1 109 ? 18.329 -12.654 24.882  1.000 37.747  0  109 ARG A C   1 ? 
ATOM   789  O O   . ARG A 1 109 ? 18.249 -13.480 25.785  1.000 37.116  0  109 ARG A O   1 ? 
ATOM   790  C CB  A ARG A 1 109 ? 16.607 -10.891 24.737  0.500 42.801  0  109 ARG A CB  1 ? 
ATOM   791  C CB  B ARG A 1 109 ? 16.638 -10.755 24.648  0.500 41.727  0  109 ARG A CB  1 ? 
ATOM   792  C CG  A ARG A 1 109 ? 15.580 -11.336 25.767  0.500 49.831  0  109 ARG A CG  1 ? 
ATOM   793  C CG  B ARG A 1 109 ? 15.474 -11.056 25.579  0.500 47.551  0  109 ARG A CG  1 ? 
ATOM   794  C CD  A ARG A 1 109 ? 14.243 -11.569 25.075  0.500 51.987  0  109 ARG A CD  1 ? 
ATOM   795  C CD  B ARG A 1 109 ? 14.388 -9.954  25.548  0.500 44.379  0  109 ARG A CD  1 ? 
ATOM   796  N NE  A ARG A 1 109 ? 14.496 -12.605 24.071  0.500 52.745  0  109 ARG A NE  1 ? 
ATOM   797  N NE  B ARG A 1 109 ? 14.028 -9.485  24.205  0.500 45.725  0  109 ARG A NE  1 ? 
ATOM   798  C CZ  A ARG A 1 109 ? 13.636 -13.131 23.228  0.500 49.597  0  109 ARG A CZ  1 ? 
ATOM   799  C CZ  B ARG A 1 109 ? 14.070 -8.212  23.810  0.500 44.710  0  109 ARG A CZ  1 ? 
ATOM   800  N NH1 A ARG A 1 109 ? 12.432 -12.612 23.064  0.500 51.388  0  109 ARG A NH1 1 ? 
ATOM   801  N NH1 B ARG A 1 109 ? 14.384 -7.261  24.670  0.500 44.464  0  109 ARG A NH1 1 ? 
ATOM   802  N NH2 A ARG A 1 109 ? 14.036 -14.153 22.507  0.500 46.167  0  109 ARG A NH2 1 ? 
ATOM   803  N NH2 B ARG A 1 109 ? 13.807 -7.900  22.553  0.500 48.393  0  109 ARG A NH2 1 ? 
ATOM   804  N N   . ARG A 1 110 ? 18.670 -12.995 23.643  1.000 32.536  0  110 ARG A N   1 ? 
ATOM   805  C CA  . ARG A 1 110 ? 18.876 -14.386 23.275  1.000 31.617  0  110 ARG A CA  1 ? 
ATOM   806  C C   . ARG A 1 110 ? 20.215 -14.949 23.738  1.000 33.809  0  110 ARG A C   1 ? 
ATOM   807  O O   . ARG A 1 110 ? 20.369 -16.172 23.718  1.000 38.935  0  110 ARG A O   1 ? 
ATOM   808  C CB  . ARG A 1 110 ? 18.793 -14.517 21.752  1.000 32.234  0  110 ARG A CB  1 ? 
ATOM   809  C CG  . ARG A 1 110 ? 17.397 -14.299 21.196  1.000 38.136  0  110 ARG A CG  1 ? 
ATOM   810  C CD  . ARG A 1 110 ? 17.440 -14.606 19.711  1.000 41.579  0  110 ARG A CD  1 ? 
ATOM   811  N NE  . ARG A 1 110 ? 16.240 -14.255 18.952  1.000 49.560  0  110 ARG A NE  1 ? 
ATOM   812  C CZ  . ARG A 1 110 ? 16.206 -14.235 17.605  1.000 52.208  0  110 ARG A CZ  1 ? 
ATOM   813  N NH1 . ARG A 1 110 ? 17.312 -14.340 16.880  1.000 45.250  0  110 ARG A NH1 1 ? 
ATOM   814  N NH2 . ARG A 1 110 ? 15.064 -14.068 16.975  1.000 49.473  0  110 ARG A NH2 1 ? 
ATOM   815  N N   . THR A 1 111 ? 21.170 -14.099 24.158  1.000 32.766  0  111 THR A N   1 ? 
ATOM   816  C CA  . THR A 1 111 ? 22.481 -14.580 24.589  1.000 30.441  0  111 THR A CA  1 ? 
ATOM   817  C C   . THR A 1 111 ? 22.681 -14.498 26.108  1.000 33.011  0  111 THR A C   1 ? 
ATOM   818  O O   . THR A 1 111 ? 23.813 -14.566 26.578  1.000 35.176  0  111 THR A O   1 ? 
ATOM   819  C CB  . THR A 1 111 ? 23.559 -13.784 23.869  1.000 28.525  0  111 THR A CB  1 ? 
ATOM   820  O OG1 . THR A 1 111 ? 23.321 -12.388 24.039  1.000 28.929  0  111 THR A OG1 1 ? 
ATOM   821  C CG2 . THR A 1 111 ? 23.585 -14.091 22.388  1.000 29.675  0  111 THR A CG2 1 ? 
ATOM   822  N N   . GLY A 1 112 ? 21.613 -14.258 26.872  1.000 34.874  0  112 GLY A N   1 ? 
ATOM   823  C CA  . GLY A 1 112 ? 21.739 -14.065 28.315  1.000 35.674  0  112 GLY A CA  1 ? 
ATOM   824  C C   . GLY A 1 112 ? 21.674 -15.344 29.154  1.000 36.693  0  112 GLY A C   1 ? 
ATOM   825  O O   . GLY A 1 112 ? 21.552 -15.243 30.382  1.000 35.803  0  112 GLY A O   1 ? 
ATOM   826  N N   . GLY A 1 113 ? 21.819 -16.525 28.534  1.000 34.040  0  113 GLY A N   1 ? 
ATOM   827  C CA  . GLY A 1 113 ? 21.900 -17.783 29.275  1.000 38.839  0  113 GLY A CA  1 ? 
ATOM   828  C C   . GLY A 1 113 ? 23.322 -18.125 29.746  1.000 38.139  0  113 GLY A C   1 ? 
ATOM   829  O O   . GLY A 1 113 ? 24.244 -17.299 29.801  1.000 31.012  0  113 GLY A O   1 ? 
ATOM   830  N N   . ASN A 1 114 ? 23.533 -19.396 30.067  1.000 41.478  0  114 ASN A N   1 ? 
ATOM   831  C CA  . ASN A 1 114 ? 24.812 -19.796 30.628  1.000 41.520  0  114 ASN A CA  1 ? 
ATOM   832  C C   . ASN A 1 114 ? 25.789 -20.293 29.555  1.000 35.206  0  114 ASN A C   1 ? 
ATOM   833  O O   . ASN A 1 114 ? 26.872 -20.734 29.878  1.000 41.437  0  114 ASN A O   1 ? 
ATOM   834  C CB  . ASN A 1 114 ? 24.613 -20.680 31.865  1.000 51.258  0  114 ASN A CB  1 ? 
ATOM   835  C CG  . ASN A 1 114 ? 23.601 -21.787 31.679  1.000 56.131  0  114 ASN A CG  1 ? 
ATOM   836  O OD1 . ASN A 1 114 ? 22.899 -21.828 30.666  1.000 62.395  0  114 ASN A OD1 1 ? 
ATOM   837  N ND2 . ASN A 1 114 ? 23.490 -22.682 32.649  1.000 54.587  0  114 ASN A ND2 1 ? 
ATOM   838  N N   . THR A 1 115 ? 25.570 -20.110 28.255  1.000 36.775  0  115 THR A N   1 ? 
ATOM   839  C CA  . THR A 1 115 ? 26.642 -20.426 27.322  1.000 36.826  0  115 THR A CA  1 ? 
ATOM   840  C C   . THR A 1 115 ? 27.892 -19.593 27.651  1.000 34.834  0  115 THR A C   1 ? 
ATOM   841  O O   . THR A 1 115 ? 27.808 -18.386 27.887  1.000 30.450  0  115 THR A O   1 ? 
ATOM   842  C CB  . THR A 1 115 ? 26.187 -20.195 25.886  1.000 42.893  0  115 THR A CB  1 ? 
ATOM   843  O OG1 . THR A 1 115 ? 25.092 -21.081 25.726  1.000 46.416  0  115 THR A OG1 1 ? 
ATOM   844  C CG2 . THR A 1 115 ? 27.234 -20.546 24.850  1.000 41.125  0  115 THR A CG2 1 ? 
ATOM   845  N N   . VAL A 1 116 ? 29.070 -20.226 27.655  1.000 28.234  0  116 VAL A N   1 ? 
ATOM   846  C CA  . VAL A 1 116 ? 30.304 -19.488 27.795  1.000 24.680  0  116 VAL A CA  1 ? 
ATOM   847  C C   . VAL A 1 116 ? 30.594 -18.738 26.492  1.000 25.730  0  116 VAL A C   1 ? 
ATOM   848  O O   . VAL A 1 116 ? 30.699 -19.351 25.436  1.000 28.779  0  116 VAL A O   1 ? 
ATOM   849  C CB  . VAL A 1 116 ? 31.473 -20.415 28.178  1.000 23.494  0  116 VAL A CB  1 ? 
ATOM   850  C CG1 . VAL A 1 116 ? 32.758 -19.644 28.290  1.000 23.587  0  116 VAL A CG1 1 ? 
ATOM   851  C CG2 . VAL A 1 116 ? 31.221 -21.177 29.477  1.000 27.099  0  116 VAL A CG2 1 ? 
ATOM   852  N N   . ARG A 1 117 ? 30.829 -17.420 26.576  1.000 23.353  0  117 ARG A N   1 ? 
ATOM   853  C CA  . ARG A 1 117 ? 31.084 -16.563 25.429  1.000 24.452  0  117 ARG A CA  1 ? 
ATOM   854  C C   . ARG A 1 117 ? 32.215 -15.609 25.798  1.000 26.020  0  117 ARG A C   1 ? 
ATOM   855  O O   . ARG A 1 117 ? 31.977 -14.574 26.437  1.000 25.792  0  117 ARG A O   1 ? 
ATOM   856  C CB  . ARG A 1 117 ? 29.844 -15.737 25.048  1.000 26.005  0  117 ARG A CB  1 ? 
ATOM   857  C CG  . ARG A 1 117 ? 28.602 -16.577 24.811  1.000 28.785  0  117 ARG A CG  1 ? 
ATOM   858  C CD  . ARG A 1 117 ? 27.382 -15.682 24.456  1.000 31.877  0  117 ARG A CD  1 ? 
ATOM   859  N NE  . ARG A 1 117 ? 26.094 -16.403 24.396  1.000 33.851  0  117 ARG A NE  1 ? 
ATOM   860  C CZ  . ARG A 1 117 ? 25.715 -17.166 23.407  1.000 32.845  0  117 ARG A CZ  1 ? 
ATOM   861  N NH1 . ARG A 1 117 ? 26.441 -17.294 22.339  1.000 37.787  0  117 ARG A NH1 1 ? 
ATOM   862  N NH2 . ARG A 1 117 ? 24.581 -17.835 23.496  1.000 39.903  0  117 ARG A NH2 1 ? 
ATOM   863  N N   . PRO A 1 118 ? 33.475 -15.924 25.424  1.000 25.195  0  118 PRO A N   1 ? 
ATOM   864  C CA  . PRO A 1 118 ? 34.608 -15.093 25.825  1.000 25.873  0  118 PRO A CA  1 ? 
ATOM   865  C C   . PRO A 1 118 ? 34.489 -13.611 25.493  1.000 27.237  0  118 PRO A C   1 ? 
ATOM   866  O O   . PRO A 1 118 ? 34.986 -12.785 26.245  1.000 27.757  0  118 PRO A O   1 ? 
ATOM   867  C CB  . PRO A 1 118 ? 35.762 -15.778 25.088  1.000 27.707  0  118 PRO A CB  1 ? 
ATOM   868  C CG  . PRO A 1 118 ? 35.348 -17.215 25.004  1.000 28.880  0  118 PRO A CG  1 ? 
ATOM   869  C CD  . PRO A 1 118 ? 33.877 -17.147 24.717  1.000 27.548  0  118 PRO A CD  1 ? 
ATOM   870  N N   . LEU A 1 119 ? 33.793 -13.269 24.404  1.000 24.643  0  119 LEU A N   1 ? 
ATOM   871  C CA  A LEU A 1 119 ? 33.714 -11.873 23.987  0.500 23.304  0  119 LEU A CA  1 ? 
ATOM   872  C CA  B LEU A 1 119 ? 33.687 -11.888 23.934  0.500 26.495  0  119 LEU A CA  1 ? 
ATOM   873  C C   . LEU A 1 119 ? 32.355 -11.263 24.325  1.000 26.150  0  119 LEU A C   1 ? 
ATOM   874  O O   . LEU A 1 119 ? 32.050 -10.137 23.896  1.000 26.273  0  119 LEU A O   1 ? 
ATOM   875  C CB  A LEU A 1 119 ? 34.022 -11.805 22.490  0.500 20.885  0  119 LEU A CB  1 ? 
ATOM   876  C CB  B LEU A 1 119 ? 33.826 -11.821 22.411  0.500 27.606  0  119 LEU A CB  1 ? 
ATOM   877  C CG  A LEU A 1 119 ? 35.397 -12.345 22.081  0.500 17.813  0  119 LEU A CG  1 ? 
ATOM   878  C CG  B LEU A 1 119 ? 35.202 -11.431 21.870  0.500 29.869  0  119 LEU A CG  1 ? 
ATOM   879  C CD1 A LEU A 1 119 ? 35.711 -12.287 20.591  0.500 20.056  0  119 LEU A CD1 1 ? 
ATOM   880  C CD1 B LEU A 1 119 ? 36.212 -12.381 22.403  0.500 29.917  0  119 LEU A CD1 1 ? 
ATOM   881  C CD2 A LEU A 1 119 ? 36.441 -11.529 22.807  0.500 18.457  0  119 LEU A CD2 1 ? 
ATOM   882  C CD2 B LEU A 1 119 ? 35.217 -11.399 20.343  0.500 28.447  0  119 LEU A CD2 1 ? 
ATOM   883  N N   . LEU A 1 120 ? 31.507 -12.010 25.042  1.000 24.285  0  120 LEU A N   1 ? 
ATOM   884  C CA  A LEU A 1 120 ? 30.202 -11.486 25.412  0.500 24.130  0  120 LEU A CA  1 ? 
ATOM   885  C CA  B LEU A 1 120 ? 30.179 -11.517 25.403  0.500 25.898  0  120 LEU A CA  1 ? 
ATOM   886  C C   . LEU A 1 120 ? 29.824 -11.978 26.808  1.000 25.970  0  120 LEU A C   1 ? 
ATOM   887  O O   . LEU A 1 120 ? 28.893 -12.767 26.980  1.000 28.523  0  120 LEU A O   1 ? 
ATOM   888  C CB  A LEU A 1 120 ? 29.227 -11.913 24.327  0.500 22.709  0  120 LEU A CB  1 ? 
ATOM   889  C CB  B LEU A 1 120 ? 29.068 -11.994 24.479  0.500 26.819  0  120 LEU A CB  1 ? 
ATOM   890  C CG  A LEU A 1 120 ? 27.815 -11.345 24.409  0.500 21.125  0  120 LEU A CG  1 ? 
ATOM   891  C CG  B LEU A 1 120 ? 28.997 -11.337 23.108  0.500 27.358  0  120 LEU A CG  1 ? 
ATOM   892  C CD1 A LEU A 1 120 ? 27.881 -9.827  24.286  0.500 20.513  0  120 LEU A CD1 1 ? 
ATOM   893  C CD1 B LEU A 1 120 ? 28.080 -12.087 22.198  0.500 30.656  0  120 LEU A CD1 1 ? 
ATOM   894  C CD2 A LEU A 1 120 ? 26.988 -11.964 23.343  0.500 19.395  0  120 LEU A CD2 1 ? 
ATOM   895  C CD2 B LEU A 1 120 ? 28.509 -9.903  23.326  0.500 25.443  0  120 LEU A CD2 1 ? 
ATOM   896  N N   A ALA A 1 121 ? 30.610 -11.522 27.775  0.500 24.028  0  121 ALA A N   1 ? 
ATOM   897  N N   B ALA A 1 121 ? 30.562 -11.501 27.799  0.500 24.765  0  121 ALA A N   1 ? 
ATOM   898  C CA  A ALA A 1 121 ? 30.387 -11.822 29.172  0.500 23.681  0  121 ALA A CA  1 ? 
ATOM   899  C CA  B ALA A 1 121 ? 30.265 -11.880 29.163  0.500 24.958  0  121 ALA A CA  1 ? 
ATOM   900  C C   A ALA A 1 121 ? 29.928 -10.540 29.864  0.500 23.142  0  121 ALA A C   1 ? 
ATOM   901  C C   B ALA A 1 121 ? 30.149 -10.630 30.029  0.500 25.760  0  121 ALA A C   1 ? 
ATOM   902  O O   A ALA A 1 121 ? 30.211 -9.429  29.387  0.500 19.227  0  121 ALA A O   1 ? 
ATOM   903  O O   B ALA A 1 121 ? 30.858 -9.643  29.834  0.500 22.398  0  121 ALA A O   1 ? 
ATOM   904  C CB  A ALA A 1 121 ? 31.643 -12.396 29.785  0.500 23.743  0  121 ALA A CB  1 ? 
ATOM   905  C CB  B ALA A 1 121 ? 31.279 -12.863 29.672  0.500 24.027  0  121 ALA A CB  1 ? 
ATOM   906  N N   . GLY A 1 122 ? 29.242 -10.722 31.004  1.000 24.402  0  122 GLY A N   1 ? 
ATOM   907  C CA  . GLY A 1 122 ? 28.871 -9.564  31.818  1.000 25.810  0  122 GLY A CA  1 ? 
ATOM   908  C C   . GLY A 1 122 ? 30.049 -9.055  32.639  1.000 24.887  0  122 GLY A C   1 ? 
ATOM   909  O O   . GLY A 1 122 ? 31.115 -9.699  32.790  1.000 23.300  0  122 GLY A O   1 ? 
ATOM   910  N N   . PRO A 1 123 ? 29.926 -7.855  33.234  1.000 26.375  0  123 PRO A N   1 ? 
ATOM   911  C CA  . PRO A 1 123 ? 28.735 -6.997  33.108  1.000 26.591  0  123 PRO A CA  1 ? 
ATOM   912  C C   . PRO A 1 123 ? 28.828 -6.178  31.818  1.000 26.470  0  123 PRO A C   1 ? 
ATOM   913  O O   . PRO A 1 123 ? 29.750 -6.332  31.030  1.000 24.841  0  123 PRO A O   1 ? 
ATOM   914  C CB  . PRO A 1 123 ? 28.865 -6.107  34.342  1.000 24.667  0  123 PRO A CB  1 ? 
ATOM   915  C CG  . PRO A 1 123 ? 30.350 -5.884  34.410  1.000 26.972  0  123 PRO A CG  1 ? 
ATOM   916  C CD  . PRO A 1 123 ? 30.951 -7.284  34.109  1.000 26.523  0  123 PRO A CD  1 ? 
ATOM   917  N N   . ASP A 1 124 ? 27.806 -5.355  31.606  1.000 28.891  0  124 ASP A N   1 ? 
ATOM   918  C CA  . ASP A 1 124 ? 27.695 -4.481  30.439  1.000 28.563  0  124 ASP A CA  1 ? 
ATOM   919  C C   . ASP A 1 124 ? 27.614 -5.290  29.146  1.000 26.824  0  124 ASP A C   1 ? 
ATOM   920  O O   . ASP A 1 124 ? 28.215 -4.926  28.121  1.000 27.344  0  124 ASP A O   1 ? 
ATOM   921  C CB  . ASP A 1 124 ? 28.852 -3.507  30.408  1.000 31.174  0  124 ASP A CB  1 ? 
ATOM   922  C CG  . ASP A 1 124 ? 28.979 -2.644  31.657  1.000 42.375  0  124 ASP A CG  1 ? 
ATOM   923  O OD1 . ASP A 1 124 ? 27.930 -2.122  32.093  1.000 40.678  0  124 ASP A OD1 1 ? 
ATOM   924  O OD2 . ASP A 1 124 ? 30.113 -2.532  32.168  1.000 43.407  -1 124 ASP A OD2 1 ? 
ATOM   925  N N   . ARG A 1 125 ? 26.902 -6.417  29.170  1.000 26.268  0  125 ARG A N   1 ? 
ATOM   926  C CA  . ARG A 1 125 ? 26.921 -7.288  28.013  1.000 28.262  0  125 ARG A CA  1 ? 
ATOM   927  C C   . ARG A 1 125 ? 26.281 -6.596  26.805  1.000 27.930  0  125 ARG A C   1 ? 
ATOM   928  O O   . ARG A 1 125 ? 26.702 -6.787  25.662  1.000 26.667  0  125 ARG A O   1 ? 
ATOM   929  C CB  . ARG A 1 125 ? 26.249 -8.588  28.453  1.000 35.466  0  125 ARG A CB  1 ? 
ATOM   930  C CG  . ARG A 1 125 ? 26.703 -9.836  27.734  1.000 41.230  0  125 ARG A CG  1 ? 
ATOM   931  C CD  . ARG A 1 125 ? 26.228 -11.044 28.524  1.000 35.877  0  125 ARG A CD  1 ? 
ATOM   932  N NE  . ARG A 1 125 ? 24.770 -11.041 28.640  1.000 29.435  0  125 ARG A NE  1 ? 
ATOM   933  C CZ  . ARG A 1 125 ? 23.957 -11.235 27.630  1.000 39.292  0  125 ARG A CZ  1 ? 
ATOM   934  N NH1 . ARG A 1 125 ? 24.406 -11.706 26.490  1.000 43.479  0  125 ARG A NH1 1 ? 
ATOM   935  N NH2 . ARG A 1 125 ? 22.700 -10.912 27.748  1.000 39.239  0  125 ARG A NH2 1 ? 
ATOM   936  N N   . ALA A 1 126 ? 25.238 -5.778  27.037  1.000 25.273  0  126 ALA A N   1 ? 
ATOM   937  C CA  . ALA A 1 126 ? 24.581 -5.042  25.962  1.000 28.657  0  126 ALA A CA  1 ? 
ATOM   938  C C   . ALA A 1 126 ? 25.532 -4.073  25.266  1.000 27.501  0  126 ALA A C   1 ? 
ATOM   939  O O   . ALA A 1 126 ? 25.476 -3.955  24.046  1.000 26.396  0  126 ALA A O   1 ? 
ATOM   940  C CB  . ALA A 1 126 ? 23.358 -4.317  26.478  1.000 31.811  0  126 ALA A CB  1 ? 
ATOM   941  N N   . GLU A 1 127 ? 26.386 -3.382  26.023  1.000 26.966  0  127 GLU A N   1 ? 
ATOM   942  C CA  . GLU A 1 127 ? 27.382 -2.499  25.458  1.000 29.334  0  127 GLU A CA  1 ? 
ATOM   943  C C   . GLU A 1 127 ? 28.353 -3.302  24.592  1.000 28.390  0  127 GLU A C   1 ? 
ATOM   944  O O   . GLU A 1 127 ? 28.748 -2.870  23.504  1.000 24.655  0  127 GLU A O   1 ? 
ATOM   945  C CB  . GLU A 1 127 ? 28.179 -1.749  26.529  1.000 32.859  0  127 GLU A CB  1 ? 
ATOM   946  C CG  . GLU A 1 127 ? 27.339 -0.763  27.344  1.000 46.261  0  127 GLU A CG  1 ? 
ATOM   947  C CD  . GLU A 1 127 ? 26.438 -1.212  28.515  1.000 57.476  0  127 GLU A CD  1 ? 
ATOM   948  O OE1 . GLU A 1 127 ? 25.940 -2.395  28.671  1.000 46.788  0  127 GLU A OE1 1 ? 
ATOM   949  O OE2 . GLU A 1 127 ? 26.228 -0.251  29.329  1.000 56.668  -1 127 GLU A OE2 1 ? 
ATOM   950  N N   . LYS A 1 128 ? 28.781 -4.464  25.112  1.000 25.033  0  128 LYS A N   1 ? 
ATOM   951  C CA  . LYS A 1 128 ? 29.644 -5.349  24.347  1.000 25.443  0  128 LYS A CA  1 ? 
ATOM   952  C C   . LYS A 1 128 ? 28.961 -5.815  23.055  1.000 22.555  0  128 LYS A C   1 ? 
ATOM   953  O O   . LYS A 1 128 ? 29.611 -5.853  22.019  1.000 23.821  0  128 LYS A O   1 ? 
ATOM   954  C CB  . LYS A 1 128 ? 30.093 -6.544  25.201  1.000 25.804  0  128 LYS A CB  1 ? 
ATOM   955  C CG  . LYS A 1 128 ? 30.950 -6.116  26.378  1.000 27.481  0  128 LYS A CG  1 ? 
ATOM   956  C CD  . LYS A 1 128 ? 31.352 -7.241  27.333  1.000 29.694  0  128 LYS A CD  1 ? 
ATOM   957  C CE  . LYS A 1 128 ? 31.788 -6.609  28.625  1.000 32.551  0  128 LYS A CE  1 ? 
ATOM   958  N NZ  . LYS A 1 128 ? 32.243 -7.575  29.588  1.000 38.644  0  128 LYS A NZ  1 ? 
ATOM   959  N N   . TYR A 1 129 ? 27.681 -6.179  23.125  1.000 23.425  0  129 TYR A N   1 ? 
ATOM   960  C CA  . TYR A 1 129 ? 26.943 -6.645  21.969  1.000 22.814  0  129 TYR A CA  1 ? 
ATOM   961  C C   . TYR A 1 129 ? 26.871 -5.524  20.930  1.000 26.389  0  129 TYR A C   1 ? 
ATOM   962  O O   . TYR A 1 129 ? 27.155 -5.735  19.755  1.000 23.989  0  129 TYR A O   1 ? 
ATOM   963  C CB  . TYR A 1 129 ? 25.562 -7.121  22.404  1.000 22.986  0  129 TYR A CB  1 ? 
ATOM   964  C CG  . TYR A 1 129 ? 24.892 -8.031  21.391  1.000 24.697  0  129 TYR A CG  1 ? 
ATOM   965  C CD1 . TYR A 1 129 ? 24.171 -7.506  20.328  1.000 28.716  0  129 TYR A CD1 1 ? 
ATOM   966  C CD2 . TYR A 1 129 ? 25.091 -9.408  21.406  1.000 27.113  0  129 TYR A CD2 1 ? 
ATOM   967  C CE1 . TYR A 1 129 ? 23.554 -8.330  19.403  1.000 28.632  0  129 TYR A CE1 1 ? 
ATOM   968  C CE2 . TYR A 1 129 ? 24.493 -10.247 20.478  1.000 25.897  0  129 TYR A CE2 1 ? 
ATOM   969  C CZ  . TYR A 1 129 ? 23.741 -9.698  19.455  1.000 25.637  0  129 TYR A CZ  1 ? 
ATOM   970  O OH  . TYR A 1 129 ? 23.164 -10.488 18.502  1.000 27.076  0  129 TYR A OH  1 ? 
ATOM   971  N N   . ARG A 1 130 ? 26.538 -4.305  21.376  1.000 25.423  0  130 ARG A N   1 ? 
ATOM   972  C CA  . ARG A 1 130 ? 26.430 -3.170  20.461  1.000 28.752  0  130 ARG A CA  1 ? 
ATOM   973  C C   . ARG A 1 130 ? 27.760 -2.880  19.790  1.000 26.823  0  130 ARG A C   1 ? 
ATOM   974  O O   . ARG A 1 130 ? 27.775 -2.506  18.621  1.000 25.675  0  130 ARG A O   1 ? 
ATOM   975  C CB  . ARG A 1 130 ? 25.933 -1.916  21.194  1.000 28.131  0  130 ARG A CB  1 ? 
ATOM   976  C CG  . ARG A 1 130 ? 24.448 -1.955  21.506  1.000 29.776  0  130 ARG A CG  1 ? 
ATOM   977  C CD  . ARG A 1 130 ? 23.953 -0.580  22.049  1.000 29.467  0  130 ARG A CD  1 ? 
ATOM   978  N NE  . ARG A 1 130 ? 24.552 -0.258  23.354  1.000 29.731  0  130 ARG A NE  1 ? 
ATOM   979  C CZ  . ARG A 1 130 ? 24.013 -0.524  24.530  1.000 30.920  0  130 ARG A CZ  1 ? 
ATOM   980  N NH1 . ARG A 1 130 ? 22.885 -1.204  24.619  1.000 35.692  0  130 ARG A NH1 1 ? 
ATOM   981  N NH2 . ARG A 1 130 ? 24.597 -0.135  25.641  1.000 30.420  0  130 ARG A NH2 1 ? 
ATOM   982  N N   . ALA A 1 131 ? 28.879 -3.066  20.512  1.000 26.918  0  131 ALA A N   1 ? 
ATOM   983  C CA  . ALA A 1 131 ? 30.194 -2.835  19.942  1.000 27.125  0  131 ALA A CA  1 ? 
ATOM   984  C C   . ALA A 1 131 ? 30.550 -3.899  18.894  1.000 28.087  0  131 ALA A C   1 ? 
ATOM   985  O O   . ALA A 1 131 ? 31.113 -3.555  17.844  1.000 25.711  0  131 ALA A O   1 ? 
ATOM   986  C CB  . ALA A 1 131 ? 31.245 -2.733  21.007  1.000 29.214  0  131 ALA A CB  1 ? 
ATOM   987  N N   . LEU A 1 132 ? 30.261 -5.185  19.188  1.000 24.090  0  132 LEU A N   1 ? 
ATOM   988  C CA  . LEU A 1 132 ? 30.416 -6.221  18.173  1.000 25.775  0  132 LEU A CA  1 ? 
ATOM   989  C C   . LEU A 1 132 ? 29.546 -5.940  16.947  1.000 24.184  0  132 LEU A C   1 ? 
ATOM   990  O O   . LEU A 1 132 ? 30.030 -6.086  15.832  1.000 24.414  0  132 LEU A O   1 ? 
ATOM   991  C CB  . LEU A 1 132 ? 30.111 -7.608  18.729  1.000 26.073  0  132 LEU A CB  1 ? 
ATOM   992  C CG  . LEU A 1 132 ? 30.999 -8.111  19.887  1.000 27.117  0  132 LEU A CG  1 ? 
ATOM   993  C CD1 . LEU A 1 132 ? 30.502 -9.458  20.386  1.000 27.424  0  132 LEU A CD1 1 ? 
ATOM   994  C CD2 . LEU A 1 132 ? 32.467 -8.191  19.485  1.000 30.057  0  132 LEU A CD2 1 ? 
ATOM   995  N N   . MET A 1 133 ? 28.287 -5.515  17.126  1.000 23.522  0  133 MET A N   1 ? 
ATOM   996  C CA  . MET A 1 133 ? 27.389 -5.279  16.015  1.000 25.249  0  133 MET A CA  1 ? 
ATOM   997  C C   . MET A 1 133 ? 27.915 -4.136  15.137  1.000 27.312  0  133 MET A C   1 ? 
ATOM   998  O O   . MET A 1 133 ? 27.917 -4.251  13.908  1.000 25.768  0  133 MET A O   1 ? 
ATOM   999  C CB  . MET A 1 133 ? 25.975 -4.977  16.509  1.000 27.456  0  133 MET A CB  1 ? 
ATOM   1000 C CG  . MET A 1 133 ? 24.982 -4.670  15.422  1.000 30.346  0  133 MET A CG  1 ? 
ATOM   1001 S SD  . MET A 1 133 ? 23.341 -4.401  16.139  1.000 40.563  0  133 MET A SD  1 ? 
ATOM   1002 C CE  . MET A 1 133 ? 23.717 -2.961  17.112  1.000 39.533  0  133 MET A CE  1 ? 
ATOM   1003 N N   . ALA A 1 134 ? 28.405 -3.066  15.777  1.000 26.844  0  134 ALA A N   1 ? 
ATOM   1004 C CA  . ALA A 1 134 ? 28.901 -1.898  15.075  1.000 29.691  0  134 ALA A CA  1 ? 
ATOM   1005 C C   . ALA A 1 134 ? 30.132 -2.246  14.235  1.000 30.169  0  134 ALA A C   1 ? 
ATOM   1006 O O   . ALA A 1 134 ? 30.210 -1.880  13.068  1.000 28.776  0  134 ALA A O   1 ? 
ATOM   1007 C CB  . ALA A 1 134 ? 29.215 -0.794  16.080  1.000 32.457  0  134 ALA A CB  1 ? 
ATOM   1008 N N   . LYS A 1 135 ? 31.099 -2.943  14.845  1.000 26.940  0  135 LYS A N   1 ? 
ATOM   1009 C CA  . LYS A 1 135 ? 32.317 -3.345  14.195  1.000 28.057  0  135 LYS A CA  1 ? 
ATOM   1010 C C   . LYS A 1 135 ? 32.053 -4.322  13.041  1.000 28.221  0  135 LYS A C   1 ? 
ATOM   1011 O O   . LYS A 1 135 ? 32.740 -4.250  12.016  1.000 26.157  0  135 LYS A O   1 ? 
ATOM   1012 C CB  . LYS A 1 135 ? 33.269 -3.871  15.274  1.000 35.692  0  135 LYS A CB  1 ? 
ATOM   1013 C CG  . LYS A 1 135 ? 34.665 -4.049  14.751  1.000 51.317  0  135 LYS A CG  1 ? 
ATOM   1014 C CD  . LYS A 1 135 ? 35.809 -3.448  15.577  1.000 61.597  0  135 LYS A CD  1 ? 
ATOM   1015 C CE  . LYS A 1 135 ? 37.062 -3.383  14.712  1.000 67.875  0  135 LYS A CE  1 ? 
ATOM   1016 N NZ  . LYS A 1 135 ? 38.129 -2.487  15.174  1.000 70.521  0  135 LYS A NZ  1 ? 
ATOM   1017 N N   . ARG A 1 136 ? 31.157 -5.311  13.235  1.000 27.102  0  136 ARG A N   1 ? 
ATOM   1018 C CA  . ARG A 1 136 ? 31.086 -6.442  12.318  1.000 26.365  0  136 ARG A CA  1 ? 
ATOM   1019 C C   . ARG A 1 136 ? 30.023 -6.246  11.226  1.000 25.077  0  136 ARG A C   1 ? 
ATOM   1020 O O   . ARG A 1 136 ? 30.043 -6.940  10.216  1.000 25.474  0  136 ARG A O   1 ? 
ATOM   1021 C CB  . ARG A 1 136 ? 30.759 -7.702  13.120  1.000 24.285  0  136 ARG A CB  1 ? 
ATOM   1022 C CG  . ARG A 1 136 ? 31.899 -8.106  14.036  1.000 24.643  0  136 ARG A CG  1 ? 
ATOM   1023 C CD  . ARG A 1 136 ? 31.508 -9.305  14.874  1.000 24.561  0  136 ARG A CD  1 ? 
ATOM   1024 N NE  . ARG A 1 136 ? 32.646 -9.645  15.736  1.000 26.976  0  136 ARG A NE  1 ? 
ATOM   1025 C CZ  . ARG A 1 136 ? 32.590 -10.670 16.564  1.000 23.759  0  136 ARG A CZ  1 ? 
ATOM   1026 N NH1 . ARG A 1 136 ? 31.541 -11.471 16.564  1.000 22.665  0  136 ARG A NH1 1 ? 
ATOM   1027 N NH2 . ARG A 1 136 ? 33.584 -10.891 17.382  1.000 25.346  0  136 ARG A NH2 1 ? 
ATOM   1028 N N   . ALA A 1 137 ? 29.063 -5.328  11.430  1.000 25.105  0  137 ALA A N   1 ? 
ATOM   1029 C CA  . ALA A 1 137 ? 27.971 -5.180  10.478  1.000 28.918  0  137 ALA A CA  1 ? 
ATOM   1030 C C   . ALA A 1 137 ? 28.498 -5.004  9.043   1.000 24.204  0  137 ALA A C   1 ? 
ATOM   1031 O O   . ALA A 1 137 ? 27.984 -5.672  8.141   1.000 27.641  0  137 ALA A O   1 ? 
ATOM   1032 C CB  . ALA A 1 137 ? 27.071 -4.024  10.886  1.000 30.945  0  137 ALA A CB  1 ? 
ATOM   1033 N N   . PRO A 1 138 ? 29.485 -4.120  8.756   1.000 27.633  0  138 PRO A N   1 ? 
ATOM   1034 C CA  . PRO A 1 138 ? 29.975 -3.945  7.393   1.000 29.153  0  138 PRO A CA  1 ? 
ATOM   1035 C C   . PRO A 1 138 ? 30.622 -5.220  6.873   1.000 28.055  0  138 PRO A C   1 ? 
ATOM   1036 O O   . PRO A 1 138 ? 30.732 -5.401  5.662   1.000 25.628  0  138 PRO A O   1 ? 
ATOM   1037 C CB  . PRO A 1 138 ? 31.009 -2.826  7.417   1.000 30.721  0  138 PRO A CB  1 ? 
ATOM   1038 C CG  . PRO A 1 138 ? 31.255 -2.563  8.876   1.000 34.476  0  138 PRO A CG  1 ? 
ATOM   1039 C CD  . PRO A 1 138 ? 30.143 -3.195  9.680   1.000 28.691  0  138 PRO A CD  1 ? 
ATOM   1040 N N   . LEU A 1 139 ? 31.084 -6.069  7.792   1.000 26.897  0  139 LEU A N   1 ? 
ATOM   1041 C CA  . LEU A 1 139 ? 31.827 -7.241  7.389   1.000 26.631  0  139 LEU A CA  1 ? 
ATOM   1042 C C   . LEU A 1 139 ? 30.840 -8.318  6.956   1.000 25.165  0  139 LEU A C   1 ? 
ATOM   1043 O O   . LEU A 1 139 ? 31.074 -9.000  5.945   1.000 27.468  0  139 LEU A O   1 ? 
ATOM   1044 C CB  . LEU A 1 139 ? 32.784 -7.730  8.480   1.000 26.708  0  139 LEU A CB  1 ? 
ATOM   1045 C CG  . LEU A 1 139 ? 33.754 -6.727  9.108   1.000 29.457  0  139 LEU A CG  1 ? 
ATOM   1046 C CD1 . LEU A 1 139 ? 34.496 -7.410  10.259  1.000 27.829  0  139 LEU A CD1 1 ? 
ATOM   1047 C CD2 . LEU A 1 139 ? 34.789 -6.178  8.131   1.000 31.030  0  139 LEU A CD2 1 ? 
ATOM   1048 N N   . TYR A 1 140 ? 29.761 -8.472  7.723   1.000 23.060  0  140 TYR A N   1 ? 
ATOM   1049 C CA  . TYR A 1 140 ? 28.654 -9.353  7.379   1.000 23.129  0  140 TYR A CA  1 ? 
ATOM   1050 C C   . TYR A 1 140 ? 28.094 -8.921  6.026   1.000 27.923  0  140 TYR A C   1 ? 
ATOM   1051 O O   . TYR A 1 140 ? 27.864 -9.737  5.132   1.000 24.543  0  140 TYR A O   1 ? 
ATOM   1052 C CB  . TYR A 1 140 ? 27.539 -9.427  8.420   1.000 23.295  0  140 TYR A CB  1 ? 
ATOM   1053 C CG  . TYR A 1 140 ? 27.944 -9.983  9.783   1.000 22.853  0  140 TYR A CG  1 ? 
ATOM   1054 C CD1 . TYR A 1 140 ? 28.580 -11.213 9.916   1.000 24.773  0  140 TYR A CD1 1 ? 
ATOM   1055 C CD2 . TYR A 1 140 ? 27.635 -9.313  10.954  1.000 25.782  0  140 TYR A CD2 1 ? 
ATOM   1056 C CE1 . TYR A 1 140 ? 28.945 -11.706 11.163  1.000 24.631  0  140 TYR A CE1 1 ? 
ATOM   1057 C CE2 . TYR A 1 140 ? 28.005 -9.787  12.201  1.000 26.253  0  140 TYR A CE2 1 ? 
ATOM   1058 C CZ  . TYR A 1 140 ? 28.662 -10.995 12.311  1.000 23.595  0  140 TYR A CZ  1 ? 
ATOM   1059 O OH  . TYR A 1 140 ? 29.009 -11.427 13.565  1.000 23.510  0  140 TYR A OH  1 ? 
ATOM   1060 N N   . ARG A 1 141 ? 27.867 -7.604  5.880   1.000 27.453  0  141 ARG A N   1 ? 
ATOM   1061 C CA  . ARG A 1 141 ? 27.279 -7.081  4.656   1.000 28.485  0  141 ARG A CA  1 ? 
ATOM   1062 C C   . ARG A 1 141 ? 28.172 -7.378  3.459   1.000 26.539  0  141 ARG A C   1 ? 
ATOM   1063 O O   . ARG A 1 141 ? 27.664 -7.744  2.411   1.000 33.423  0  141 ARG A O   1 ? 
ATOM   1064 C CB  . ARG A 1 141 ? 27.020 -5.575  4.803   1.000 27.960  0  141 ARG A CB  1 ? 
ATOM   1065 C CG  . ARG A 1 141 ? 25.760 -5.386  5.628   1.000 29.400  0  141 ARG A CG  1 ? 
ATOM   1066 C CD  . ARG A 1 141 ? 25.192 -3.967  5.616   1.000 37.620  0  141 ARG A CD  1 ? 
ATOM   1067 N NE  . ARG A 1 141 ? 26.072 -3.052  6.332   1.000 39.781  0  141 ARG A NE  1 ? 
ATOM   1068 C CZ  . ARG A 1 141 ? 25.842 -2.419  7.482   1.000 38.251  0  141 ARG A CZ  1 ? 
ATOM   1069 N NH1 . ARG A 1 141 ? 24.786 -2.662  8.210   1.000 35.705  0  141 ARG A NH1 1 ? 
ATOM   1070 N NH2 . ARG A 1 141 ? 26.731 -1.549  7.897   1.000 39.272  0  141 ARG A NH2 1 ? 
ATOM   1071 N N   . ARG A 1 142 ? 29.477 -7.213  3.618   1.000 26.103  0  142 ARG A N   1 ? 
ATOM   1072 C CA  . ARG A 1 142 ? 30.407 -7.377  2.520   1.000 31.769  0  142 ARG A CA  1 ? 
ATOM   1073 C C   . ARG A 1 142 ? 30.374 -8.791  1.957   1.000 27.104  0  142 ARG A C   1 ? 
ATOM   1074 O O   . ARG A 1 142 ? 30.484 -8.932  0.756   1.000 26.060  0  142 ARG A O   1 ? 
ATOM   1075 C CB  . ARG A 1 142 ? 31.823 -7.109  3.015   1.000 31.190  0  142 ARG A CB  1 ? 
ATOM   1076 C CG  . ARG A 1 142 ? 32.898 -7.181  1.946   1.000 46.688  0  142 ARG A CG  1 ? 
ATOM   1077 C CD  . ARG A 1 142 ? 34.221 -6.672  2.484   1.000 56.265  0  142 ARG A CD  1 ? 
ATOM   1078 N NE  . ARG A 1 142 ? 34.123 -5.348  3.118   1.000 68.433  0  142 ARG A NE  1 ? 
ATOM   1079 C CZ  . ARG A 1 142 ? 34.949 -4.872  4.050   1.000 68.826  0  142 ARG A CZ  1 ? 
ATOM   1080 N NH1 . ARG A 1 142 ? 36.030 -5.542  4.398   1.000 71.779  0  142 ARG A NH1 1 ? 
ATOM   1081 N NH2 . ARG A 1 142 ? 34.695 -3.723  4.641   1.000 71.480  0  142 ARG A NH2 1 ? 
ATOM   1082 N N   . VAL A 1 143 ? 30.212 -9.812  2.804   1.000 23.499  0  143 VAL A N   1 ? 
ATOM   1083 C CA  . VAL A 1 143 ? 30.240 -11.217 2.379   1.000 23.446  0  143 VAL A CA  1 ? 
ATOM   1084 C C   . VAL A 1 143 ? 28.866 -11.782 2.039   1.000 21.758  0  143 VAL A C   1 ? 
ATOM   1085 O O   . VAL A 1 143 ? 28.750 -12.795 1.353   1.000 24.353  0  143 VAL A O   1 ? 
ATOM   1086 C CB  . VAL A 1 143 ? 30.894 -12.118 3.435   1.000 23.716  0  143 VAL A CB  1 ? 
ATOM   1087 C CG1 . VAL A 1 143 ? 32.359 -11.738 3.644   1.000 27.577  0  143 VAL A CG1 1 ? 
ATOM   1088 C CG2 . VAL A 1 143 ? 30.086 -12.178 4.723   1.000 24.329  0  143 VAL A CG2 1 ? 
ATOM   1089 N N   . ALA A 1 144 ? 27.798 -11.149 2.492   1.000 25.300  0  144 ALA A N   1 ? 
ATOM   1090 C CA  . ALA A 1 144 ? 26.474 -11.706 2.304   1.000 22.943  0  144 ALA A CA  1 ? 
ATOM   1091 C C   . ALA A 1 144 ? 25.973 -11.619 0.852   1.000 22.194  0  144 ALA A C   1 ? 
ATOM   1092 O O   . ALA A 1 144 ? 26.165 -10.602 0.178   1.000 27.811  0  144 ALA A O   1 ? 
ATOM   1093 C CB  . ALA A 1 144 ? 25.535 -10.960 3.214   1.000 26.980  0  144 ALA A CB  1 ? 
ATOM   1094 N N   . THR A 1 145 ? 25.252 -12.656 0.451   1.000 24.677  0  145 THR A N   1 ? 
ATOM   1095 C CA  . THR A 1 145 ? 24.508 -12.683 -0.806  1.000 27.487  0  145 THR A CA  1 ? 
ATOM   1096 C C   . THR A 1 145 ? 23.007 -12.536 -0.554  1.000 29.478  0  145 THR A C   1 ? 
ATOM   1097 O O   . THR A 1 145 ? 22.247 -12.219 -1.468  1.000 28.864  0  145 THR A O   1 ? 
ATOM   1098 C CB  . THR A 1 145 ? 24.861 -13.944 -1.607  1.000 26.285  0  145 THR A CB  1 ? 
ATOM   1099 O OG1 . THR A 1 145 ? 24.388 -15.130 -0.984  1.000 26.220  0  145 THR A OG1 1 ? 
ATOM   1100 C CG2 . THR A 1 145 ? 26.355 -14.100 -1.844  1.000 26.300  0  145 THR A CG2 1 ? 
ATOM   1101 N N   . MET A 1 146 ? 22.578 -12.765 0.690   1.000 28.287  0  146 MET A N   1 ? 
ATOM   1102 C CA  . MET A 1 146 ? 21.199 -12.595 1.105   1.000 26.988  0  146 MET A CA  1 ? 
ATOM   1103 C C   . MET A 1 146 ? 21.229 -12.027 2.522   1.000 30.155  0  146 MET A C   1 ? 
ATOM   1104 O O   . MET A 1 146 ? 22.070 -12.438 3.331   1.000 28.152  0  146 MET A O   1 ? 
ATOM   1105 C CB  . MET A 1 146 ? 20.522 -13.960 1.057   1.000 30.205  0  146 MET A CB  1 ? 
ATOM   1106 C CG  . MET A 1 146 ? 19.041 -13.905 1.321   1.000 38.075  0  146 MET A CG  1 ? 
ATOM   1107 S SD  . MET A 1 146 ? 18.459 -15.564 1.686   1.000 39.743  0  146 MET A SD  1 ? 
ATOM   1108 C CE  . MET A 1 146 ? 19.199 -16.481 0.326   1.000 45.360  0  146 MET A CE  1 ? 
ATOM   1109 N N   . ARG A 1 147 ? 20.351 -11.060 2.827   1.000 29.842  0  147 ARG A N   1 ? 
ATOM   1110 C CA  . ARG A 1 147 ? 20.261 -10.515 4.184   1.000 31.466  0  147 ARG A CA  1 ? 
ATOM   1111 C C   . ARG A 1 147 ? 18.856 -10.759 4.693   1.000 37.299  0  147 ARG A C   1 ? 
ATOM   1112 O O   . ARG A 1 147 ? 17.925 -10.482 3.953   1.000 35.970  0  147 ARG A O   1 ? 
ATOM   1113 C CB  . ARG A 1 147 ? 20.517 -9.011  4.270   1.000 37.580  0  147 ARG A CB  1 ? 
ATOM   1114 C CG  . ARG A 1 147 ? 21.873 -8.555  3.762   1.000 40.606  0  147 ARG A CG  1 ? 
ATOM   1115 C CD  . ARG A 1 147 ? 22.050 -7.038  3.876   1.000 52.948  0  147 ARG A CD  1 ? 
ATOM   1116 N NE  . ARG A 1 147 ? 23.071 -6.522  2.955   1.000 59.804  0  147 ARG A NE  1 ? 
ATOM   1117 C CZ  . ARG A 1 147 ? 23.343 -5.234  2.728   1.000 64.125  0  147 ARG A CZ  1 ? 
ATOM   1118 N NH1 . ARG A 1 147 ? 22.759 -4.281  3.441   1.000 66.375  0  147 ARG A NH1 1 ? 
ATOM   1119 N NH2 . ARG A 1 147 ? 24.222 -4.902  1.796   1.000 63.959  0  147 ARG A NH2 1 ? 
ATOM   1120 N N   . VAL A 1 148 ? 18.722 -11.311 5.899   1.000 33.153  0  148 VAL A N   1 ? 
ATOM   1121 C CA  . VAL A 1 148 ? 17.439 -11.701 6.443   1.000 35.072  0  148 VAL A CA  1 ? 
ATOM   1122 C C   . VAL A 1 148 ? 17.333 -11.194 7.879   1.000 41.277  0  148 VAL A C   1 ? 
ATOM   1123 O O   . VAL A 1 148 ? 18.192 -11.438 8.721   1.000 33.211  0  148 VAL A O   1 ? 
ATOM   1124 C CB  . VAL A 1 148 ? 17.222 -13.214 6.402   1.000 40.104  0  148 VAL A CB  1 ? 
ATOM   1125 C CG1 . VAL A 1 148 ? 15.880 -13.585 6.983   1.000 46.425  0  148 VAL A CG1 1 ? 
ATOM   1126 C CG2 . VAL A 1 148 ? 17.376 -13.764 4.978   1.000 48.076  0  148 VAL A CG2 1 ? 
ATOM   1127 N N   . ASP A 1 149 ? 16.222 -10.518 8.155   1.000 49.216  0  149 ASP A N   1 ? 
ATOM   1128 C CA  . ASP A 1 149 ? 15.894 -10.042 9.489   1.000 50.501  0  149 ASP A CA  1 ? 
ATOM   1129 C C   . ASP A 1 149 ? 15.394 -11.209 10.346  1.000 48.536  0  149 ASP A C   1 ? 
ATOM   1130 O O   . ASP A 1 149 ? 14.408 -11.861 10.010  1.000 56.169  0  149 ASP A O   1 ? 
ATOM   1131 C CB  . ASP A 1 149 ? 14.849 -8.953  9.332   1.000 55.375  0  149 ASP A CB  1 ? 
ATOM   1132 C CG  . ASP A 1 149 ? 14.571 -8.130  10.577  1.000 61.431  0  149 ASP A CG  1 ? 
ATOM   1133 O OD1 . ASP A 1 149 ? 14.965 -8.591  11.690  1.000 55.723  0  149 ASP A OD1 1 ? 
ATOM   1134 O OD2 . ASP A 1 149 ? 13.997 -7.027  10.401  1.000 65.625  -1 149 ASP A OD2 1 ? 
ATOM   1135 N N   . THR A 1 150 ? 16.066 -11.516 11.459  1.000 44.548  0  150 THR A N   1 ? 
ATOM   1136 C CA  . THR A 1 150 ? 15.550 -12.563 12.329  1.000 40.611  0  150 THR A CA  1 ? 
ATOM   1137 C C   . THR A 1 150 ? 14.801 -11.949 13.531  1.000 51.760  0  150 THR A C   1 ? 
ATOM   1138 O O   . THR A 1 150 ? 14.345 -12.688 14.412  1.000 47.699  0  150 THR A O   1 ? 
ATOM   1139 C CB  . THR A 1 150 ? 16.650 -13.546 12.741  1.000 47.687  0  150 THR A CB  1 ? 
ATOM   1140 O OG1 . THR A 1 150 ? 17.640 -12.867 13.505  1.000 53.559  0  150 THR A OG1 1 ? 
ATOM   1141 C CG2 . THR A 1 150 ? 17.302 -14.211 11.538  1.000 43.816  0  150 THR A CG2 1 ? 
ATOM   1142 N N   . ASN A 1 151 ? 14.620 -10.613 13.535  1.000 52.241  0  151 ASN A N   1 ? 
ATOM   1143 C CA  . ASN A 1 151 ? 13.885 -9.940  14.606  1.000 64.960  0  151 ASN A CA  1 ? 
ATOM   1144 C C   . ASN A 1 151 ? 12.423 -10.378 14.612  1.000 78.212  0  151 ASN A C   1 ? 
ATOM   1145 O O   . ASN A 1 151 ? 11.769 -10.375 13.573  1.000 85.692  0  151 ASN A O   1 ? 
ATOM   1146 C CB  . ASN A 1 151 ? 13.865 -8.420  14.480  1.000 60.949  0  151 ASN A CB  1 ? 
ATOM   1147 C CG  . ASN A 1 151 ? 15.143 -7.768  14.947  1.000 65.305  0  151 ASN A CG  1 ? 
ATOM   1148 O OD1 . ASN A 1 151 ? 15.918 -7.259  14.127  1.000 72.913  0  151 ASN A OD1 1 ? 
ATOM   1149 N ND2 . ASN A 1 151 ? 15.366 -7.758  16.253  1.000 61.159  0  151 ASN A ND2 1 ? 
ATOM   1150 N N   . ARG A 1 152 ? 11.916 -10.719 15.801  1.000 95.296  0  152 ARG A N   1 ? 
ATOM   1151 C CA  . ARG A 1 152 ? 10.521 -11.093 15.990  1.000 104.979 0  152 ARG A CA  1 ? 
ATOM   1152 C C   . ARG A 1 152 ? 10.205 -12.317 15.135  1.000 106.660 0  152 ARG A C   1 ? 
ATOM   1153 O O   . ARG A 1 152 ? 9.854  -13.365 15.674  1.000 111.029 0  152 ARG A O   1 ? 
ATOM   1154 C CB  . ARG A 1 152 ? 9.562  -9.925  15.713  1.000 110.946 0  152 ARG A CB  1 ? 
ATOM   1155 C CG  . ARG A 1 152 ? 9.890  -8.687  16.537  1.000 111.076 0  152 ARG A CG  1 ? 
ATOM   1156 C CD  . ARG A 1 152 ? 8.696  -7.809  16.881  1.000 108.974 0  152 ARG A CD  1 ? 
ATOM   1157 N NE  . ARG A 1 152 ? 9.052  -6.999  18.053  1.000 114.459 0  152 ARG A NE  1 ? 
ATOM   1158 C CZ  . ARG A 1 152 ? 8.543  -7.119  19.279  1.000 118.979 0  152 ARG A CZ  1 ? 
ATOM   1159 N NH1 . ARG A 1 152 ? 7.523  -7.929  19.512  1.000 118.455 0  152 ARG A NH1 1 ? 
ATOM   1160 N NH2 . ARG A 1 152 ? 9.046  -6.405  20.271  1.000 114.344 0  152 ARG A NH2 1 ? 
ATOM   1161 N N   . ARG A 1 153 ? 10.347 -12.166 13.809  1.000 105.916 0  153 ARG A N   1 ? 
ATOM   1162 C CA  . ARG A 1 153 ? 10.008 -13.203 12.848  1.000 97.755  0  153 ARG A CA  1 ? 
ATOM   1163 C C   . ARG A 1 153 ? 10.394 -14.557 13.436  1.000 90.742  0  153 ARG A C   1 ? 
ATOM   1164 O O   . ARG A 1 153 ? 11.549 -14.762 13.804  1.000 87.178  0  153 ARG A O   1 ? 
ATOM   1165 C CB  . ARG A 1 153 ? 10.694 -12.943 11.501  1.000 93.479  0  153 ARG A CB  1 ? 
ATOM   1166 C CG  . ARG A 1 153 ? 9.871  -13.346 10.284  1.000 101.819 0  153 ARG A CG  1 ? 
ATOM   1167 C CD  . ARG A 1 153 ? 8.564  -12.558 10.137  1.000 110.355 0  153 ARG A CD  1 ? 
ATOM   1168 N NE  . ARG A 1 153 ? 8.734  -11.107 9.969   1.000 116.064 0  153 ARG A NE  1 ? 
ATOM   1169 C CZ  . ARG A 1 153 ? 8.342  -10.157 10.824  1.000 116.802 0  153 ARG A CZ  1 ? 
ATOM   1170 N NH1 . ARG A 1 153 ? 8.461  -8.880  10.500  1.000 114.855 0  153 ARG A NH1 1 ? 
ATOM   1171 N NH2 . ARG A 1 153 ? 7.817  -10.477 11.995  1.000 116.023 0  153 ARG A NH2 1 ? 
ATOM   1172 N N   . ASN A 1 154 ? 9.401  -15.451 13.553  1.000 79.950  0  154 ASN A N   1 ? 
ATOM   1173 C CA  . ASN A 1 154 ? 9.613  -16.767 14.129  1.000 72.636  0  154 ASN A CA  1 ? 
ATOM   1174 C C   . ASN A 1 154 ? 10.501 -17.560 13.177  1.000 67.365  0  154 ASN A C   1 ? 
ATOM   1175 O O   . ASN A 1 154 ? 10.608 -17.219 12.001  1.000 67.712  0  154 ASN A O   1 ? 
ATOM   1176 C CB  . ASN A 1 154 ? 8.297  -17.461 14.473  1.000 68.337  0  154 ASN A CB  1 ? 
ATOM   1177 C CG  . ASN A 1 154 ? 7.559  -17.982 13.263  1.000 75.504  0  154 ASN A CG  1 ? 
ATOM   1178 O OD1 . ASN A 1 154 ? 7.094  -17.179 12.441  1.000 72.634  0  154 ASN A OD1 1 ? 
ATOM   1179 N ND2 . ASN A 1 154 ? 7.427  -19.303 13.149  1.000 64.005  0  154 ASN A ND2 1 ? 
ATOM   1180 N N   . PRO A 1 155 ? 11.169 -18.629 13.656  1.000 64.022  0  155 PRO A N   1 ? 
ATOM   1181 C CA  . PRO A 1 155 ? 12.203 -19.291 12.870  1.000 60.815  0  155 PRO A CA  1 ? 
ATOM   1182 C C   . PRO A 1 155 ? 11.630 -19.904 11.593  1.000 57.553  0  155 PRO A C   1 ? 
ATOM   1183 O O   . PRO A 1 155 ? 12.205 -19.708 10.521  1.000 49.179  0  155 PRO A O   1 ? 
ATOM   1184 C CB  . PRO A 1 155 ? 12.789 -20.357 13.816  1.000 65.702  0  155 PRO A CB  1 ? 
ATOM   1185 C CG  . PRO A 1 155 ? 12.314 -19.948 15.198  1.000 70.257  0  155 PRO A CG  1 ? 
ATOM   1186 C CD  . PRO A 1 155 ? 10.979 -19.255 14.972  1.000 69.965  0  155 PRO A CD  1 ? 
ATOM   1187 N N   . GLY A 1 156 ? 10.541 -20.672 11.745  1.000 54.301  0  156 GLY A N   1 ? 
ATOM   1188 C CA  . GLY A 1 156 ? 9.856  -21.339 10.641  1.000 51.176  0  156 GLY A CA  1 ? 
ATOM   1189 C C   . GLY A 1 156 ? 9.682  -20.419 9.440   1.000 44.550  0  156 GLY A C   1 ? 
ATOM   1190 O O   . GLY A 1 156 ? 9.893  -20.845 8.306   1.000 51.413  0  156 GLY A O   1 ? 
ATOM   1191 N N   . ALA A 1 157 ? 9.338  -19.153 9.696   1.000 46.055  0  157 ALA A N   1 ? 
ATOM   1192 C CA  . ALA A 1 157 ? 9.064  -18.188 8.642   1.000 52.443  0  157 ALA A CA  1 ? 
ATOM   1193 C C   . ALA A 1 157 ? 10.350 -17.662 8.006   1.000 55.008  0  157 ALA A C   1 ? 
ATOM   1194 O O   . ALA A 1 157 ? 10.353 -17.325 6.826   1.000 45.655  0  157 ALA A O   1 ? 
ATOM   1195 C CB  . ALA A 1 157 ? 8.247  -17.035 9.176   1.000 51.278  0  157 ALA A CB  1 ? 
ATOM   1196 N N   . VAL A 1 158 ? 11.409 -17.526 8.815   1.000 49.560  0  158 VAL A N   1 ? 
ATOM   1197 C CA  . VAL A 1 158 ? 12.699 -17.068 8.322   1.000 43.726  0  158 VAL A CA  1 ? 
ATOM   1198 C C   . VAL A 1 158 ? 13.237 -18.116 7.350   1.000 39.140  0  158 VAL A C   1 ? 
ATOM   1199 O O   . VAL A 1 158 ? 13.729 -17.763 6.282   1.000 40.291  0  158 VAL A O   1 ? 
ATOM   1200 C CB  . VAL A 1 158 ? 13.681 -16.821 9.483   1.000 44.533  0  158 VAL A CB  1 ? 
ATOM   1201 C CG1 . VAL A 1 158 ? 15.116 -16.637 9.005   1.000 41.365  0  158 VAL A CG1 1 ? 
ATOM   1202 C CG2 . VAL A 1 158 ? 13.240 -15.638 10.329  1.000 44.879  0  158 VAL A CG2 1 ? 
ATOM   1203 N N   . VAL A 1 159 ? 13.145 -19.387 7.744   1.000 35.170  0  159 VAL A N   1 ? 
ATOM   1204 C CA  . VAL A 1 159 ? 13.621 -20.482 6.931   1.000 40.340  0  159 VAL A CA  1 ? 
ATOM   1205 C C   . VAL A 1 159 ? 12.868 -20.487 5.601   1.000 50.562  0  159 VAL A C   1 ? 
ATOM   1206 O O   . VAL A 1 159 ? 13.492 -20.629 4.543   1.000 39.713  0  159 VAL A O   1 ? 
ATOM   1207 C CB  . VAL A 1 159 ? 13.478 -21.832 7.650   1.000 41.224  0  159 VAL A CB  1 ? 
ATOM   1208 C CG1 . VAL A 1 159 ? 13.661 -22.995 6.697   1.000 38.943  0  159 VAL A CG1 1 ? 
ATOM   1209 C CG2 . VAL A 1 159 ? 14.445 -21.977 8.821   1.000 42.258  0  159 VAL A CG2 1 ? 
ATOM   1210 N N   . ARG A 1 160 ? 11.535 -20.313 5.668   1.000 47.773  0  160 ARG A N   1 ? 
ATOM   1211 C CA  . ARG A 1 160 ? 10.697 -20.301 4.475   1.000 48.307  0  160 ARG A CA  1 ? 
ATOM   1212 C C   . ARG A 1 160 ? 11.181 -19.220 3.521   1.000 41.192  0  160 ARG A C   1 ? 
ATOM   1213 O O   . ARG A 1 160 ? 11.375 -19.524 2.343   1.000 42.583  0  160 ARG A O   1 ? 
ATOM   1214 C CB  . ARG A 1 160 ? 9.197  -20.129 4.770   1.000 50.135  0  160 ARG A CB  1 ? 
ATOM   1215 C CG  . ARG A 1 160 ? 8.545  -21.458 5.127   1.000 56.804  0  160 ARG A CG  1 ? 
ATOM   1216 C CD  . ARG A 1 160 ? 7.016  -21.380 5.262   1.000 69.214  0  160 ARG A CD  1 ? 
ATOM   1217 N NE  . ARG A 1 160 ? 6.587  -21.250 6.661   1.000 72.488  0  160 ARG A NE  1 ? 
ATOM   1218 C CZ  . ARG A 1 160 ? 6.119  -20.159 7.254   1.000 72.920  0  160 ARG A CZ  1 ? 
ATOM   1219 N NH1 . ARG A 1 160 ? 5.954  -19.025 6.589   1.000 72.610  0  160 ARG A NH1 1 ? 
ATOM   1220 N NH2 . ARG A 1 160 ? 5.838  -20.212 8.539   1.000 70.935  0  160 ARG A NH2 1 ? 
ATOM   1221 N N   . HIS A 1 161 ? 11.381 -18.002 4.051   1.000 38.397  0  161 HIS A N   1 ? 
ATOM   1222 C CA  . HIS A 1 161 ? 11.897 -16.848 3.325   1.000 41.276  0  161 HIS A CA  1 ? 
ATOM   1223 C C   . HIS A 1 161 ? 13.260 -17.169 2.690   1.000 40.561  0  161 HIS A C   1 ? 
ATOM   1224 O O   . HIS A 1 161 ? 13.502 -16.836 1.531   1.000 36.123  0  161 HIS A O   1 ? 
ATOM   1225 C CB  . HIS A 1 161 ? 11.928 -15.629 4.257   1.000 44.177  0  161 HIS A CB  1 ? 
ATOM   1226 C CG  . HIS A 1 161 ? 12.483 -14.349 3.713   1.000 54.391  0  161 HIS A CG  1 ? 
ATOM   1227 N ND1 . HIS A 1 161 ? 13.811 -13.990 3.842   1.000 69.280  0  161 HIS A ND1 1 ? 
ATOM   1228 C CD2 . HIS A 1 161 ? 11.897 -13.319 3.071   1.000 66.957  0  161 HIS A CD2 1 ? 
ATOM   1229 C CE1 . HIS A 1 161 ? 14.024 -12.804 3.277   1.000 65.778  0  161 HIS A CE1 1 ? 
ATOM   1230 N NE2 . HIS A 1 161 ? 12.875 -12.375 2.802   1.000 72.841  0  161 HIS A NE2 1 ? 
ATOM   1231 N N   . ILE A 1 162 ? 14.135 -17.867 3.432   1.000 38.881  0  162 ILE A N   1 ? 
ATOM   1232 C CA  . ILE A 1 162 ? 15.457 -18.207 2.912   1.000 37.961  0  162 ILE A CA  1 ? 
ATOM   1233 C C   . ILE A 1 162 ? 15.342 -19.172 1.728   1.000 34.647  0  162 ILE A C   1 ? 
ATOM   1234 O O   . ILE A 1 162 ? 15.923 -18.895 0.666   1.000 34.542  0  162 ILE A O   1 ? 
ATOM   1235 C CB  . ILE A 1 162 ? 16.373 -18.752 4.021   1.000 35.735  0  162 ILE A CB  1 ? 
ATOM   1236 C CG1 . ILE A 1 162 ? 16.696 -17.632 5.026   1.000 38.098  0  162 ILE A CG1 1 ? 
ATOM   1237 C CG2 . ILE A 1 162 ? 17.645 -19.374 3.450   1.000 35.544  0  162 ILE A CG2 1 ? 
ATOM   1238 C CD1 . ILE A 1 162 ? 17.426 -18.125 6.266   1.000 36.435  0  162 ILE A CD1 1 ? 
ATOM   1239 N N   . LEU A 1 163 ? 14.652 -20.305 1.927   1.000 33.937  0  163 LEU A N   1 ? 
ATOM   1240 C CA  . LEU A 1 163 ? 14.420 -21.284 0.866   1.000 40.922  0  163 LEU A CA  1 ? 
ATOM   1241 C C   . LEU A 1 163 ? 13.865 -20.625 -0.403  1.000 41.866  0  163 LEU A C   1 ? 
ATOM   1242 O O   . LEU A 1 163 ? 14.289 -20.912 -1.523  1.000 39.601  0  163 LEU A O   1 ? 
ATOM   1243 C CB  . LEU A 1 163 ? 13.472 -22.374 1.349   1.000 38.852  0  163 LEU A CB  1 ? 
ATOM   1244 C CG  . LEU A 1 163 ? 14.008 -23.313 2.426   1.000 41.683  0  163 LEU A CG  1 ? 
ATOM   1245 C CD1 . LEU A 1 163 ? 12.826 -24.037 3.066   1.000 43.797  0  163 LEU A CD1 1 ? 
ATOM   1246 C CD2 . LEU A 1 163 ? 15.038 -24.277 1.880   1.000 43.763  0  163 LEU A CD2 1 ? 
ATOM   1247 N N   . SER A 1 164 ? 12.899 -19.731 -0.226  1.000 44.188  0  164 SER A N   1 ? 
ATOM   1248 C CA  . SER A 1 164 ? 12.302 -19.006 -1.328  1.000 43.899  0  164 SER A CA  1 ? 
ATOM   1249 C C   . SER A 1 164 ? 13.340 -18.161 -2.063  1.000 45.554  0  164 SER A C   1 ? 
ATOM   1250 O O   . SER A 1 164 ? 13.407 -18.177 -3.296  1.000 47.365  0  164 SER A O   1 ? 
ATOM   1251 C CB  . SER A 1 164 ? 11.148 -18.173 -0.823  1.000 48.072  0  164 SER A CB  1 ? 
ATOM   1252 O OG  . SER A 1 164 ? 10.962 -17.064 -1.683  1.000 57.966  0  164 SER A OG  1 ? 
ATOM   1253 N N   . ARG A 1 165 ? 14.181 -17.442 -1.316  1.000 44.317  0  165 ARG A N   1 ? 
ATOM   1254 C CA  . ARG A 1 165 ? 15.205 -16.594 -1.912  1.000 46.216  0  165 ARG A CA  1 ? 
ATOM   1255 C C   . ARG A 1 165 ? 16.372 -17.412 -2.468  1.000 42.161  0  165 ARG A C   1 ? 
ATOM   1256 O O   . ARG A 1 165 ? 17.047 -16.919 -3.366  1.000 46.173  0  165 ARG A O   1 ? 
ATOM   1257 C CB  . ARG A 1 165 ? 15.685 -15.501 -0.952  1.000 50.883  0  165 ARG A CB  1 ? 
ATOM   1258 C CG  . ARG A 1 165 ? 14.655 -14.389 -0.804  1.000 65.132  0  165 ARG A CG  1 ? 
ATOM   1259 C CD  . ARG A 1 165 ? 15.084 -13.258 0.122   1.000 75.079  0  165 ARG A CD  1 ? 
ATOM   1260 N NE  . ARG A 1 165 ? 16.132 -12.399 -0.445  1.000 89.947  0  165 ARG A NE  1 ? 
ATOM   1261 C CZ  . ARG A 1 165 ? 16.802 -11.474 0.247   1.000 90.522  0  165 ARG A CZ  1 ? 
ATOM   1262 N NH1 . ARG A 1 165 ? 16.538 -11.292 1.533   1.000 80.788  0  165 ARG A NH1 1 ? 
ATOM   1263 N NH2 . ARG A 1 165 ? 17.747 -10.755 -0.342  1.000 91.084  0  165 ARG A NH2 1 ? 
ATOM   1264 N N   . LEU A 1 166 ? 16.617 -18.634 -1.953  1.000 35.561  0  166 LEU A N   1 ? 
ATOM   1265 C CA  . LEU A 1 166 ? 17.672 -19.481 -2.481  1.000 30.368  0  166 LEU A CA  1 ? 
ATOM   1266 C C   . LEU A 1 166 ? 17.247 -19.939 -3.878  1.000 37.197  0  166 LEU A C   1 ? 
ATOM   1267 O O   . LEU A 1 166 ? 18.069 -20.247 -4.739  1.000 37.355  0  166 LEU A O   1 ? 
ATOM   1268 C CB  . LEU A 1 166 ? 17.941 -20.713 -1.635  1.000 34.608  0  166 LEU A CB  1 ? 
ATOM   1269 C CG  . LEU A 1 166 ? 18.591 -20.513 -0.255  1.000 37.969  0  166 LEU A CG  1 ? 
ATOM   1270 C CD1 . LEU A 1 166 ? 18.646 -21.844 0.466   1.000 41.566  0  166 LEU A CD1 1 ? 
ATOM   1271 C CD2 . LEU A 1 166 ? 19.966 -19.912 -0.362  1.000 42.878  0  166 LEU A CD2 1 ? 
ATOM   1272 N N   . GLN A 1 167 ? 15.937 -20.021 -4.102  1.000 32.754  0  167 GLN A N   1 ? 
ATOM   1273 C CA  . GLN A 1 167 ? 15.437 -20.771 -5.246  1.000 35.317  0  167 GLN A CA  1 ? 
ATOM   1274 C C   . GLN A 1 167 ? 15.207 -19.887 -6.462  1.000 32.960  0  167 GLN A C   1 ? 
ATOM   1275 O O   . GLN A 1 167 ? 15.261 -20.364 -7.590  1.000 35.997  0  167 GLN A O   1 ? 
ATOM   1276 C CB  . GLN A 1 167 ? 14.119 -21.402 -4.824  1.000 43.097  0  167 GLN A CB  1 ? 
ATOM   1277 C CG  . GLN A 1 167 ? 13.765 -22.626 -5.644  1.000 56.305  0  167 GLN A CG  1 ? 
ATOM   1278 C CD  . GLN A 1 167 ? 12.462 -23.251 -5.205  1.000 59.840  0  167 GLN A CD  1 ? 
ATOM   1279 O OE1 . GLN A 1 167 ? 11.386 -22.837 -5.653  1.000 61.538  0  167 GLN A OE1 1 ? 
ATOM   1280 N NE2 . GLN A 1 167 ? 12.568 -24.260 -4.347  1.000 54.880  0  167 GLN A NE2 1 ? 
ATOM   1281 N N   . VAL A 1 168 ? 14.843 -18.629 -6.244  1.000 33.619  0  168 VAL A N   1 ? 
ATOM   1282 C CA  . VAL A 1 168 ? 14.382 -17.808 -7.342  1.000 39.540  0  168 VAL A CA  1 ? 
ATOM   1283 C C   . VAL A 1 168 ? 15.442 -16.747 -7.625  1.000 45.196  0  168 VAL A C   1 ? 
ATOM   1284 O O   . VAL A 1 168 ? 16.381 -16.593 -6.845  1.000 42.140  0  168 VAL A O   1 ? 
ATOM   1285 C CB  . VAL A 1 168 ? 12.995 -17.187 -7.096  1.000 40.668  0  168 VAL A CB  1 ? 
ATOM   1286 C CG1 . VAL A 1 168 ? 11.988 -18.262 -6.705  1.000 43.451  0  168 VAL A CG1 1 ? 
ATOM   1287 C CG2 . VAL A 1 168 ? 13.050 -16.059 -6.072  1.000 43.968  0  168 VAL A CG2 1 ? 
ATOM   1288 N N   . PRO A 1 169 ? 15.373 -16.124 -8.825  1.000 40.428  0  169 PRO A N   1 ? 
ATOM   1289 C CA  . PRO A 1 169 ? 16.223 -14.987 -9.187  1.000 52.376  0  169 PRO A CA  1 ? 
ATOM   1290 C C   . PRO A 1 169 ? 15.918 -13.753 -8.334  1.000 56.286  0  169 PRO A C   1 ? 
ATOM   1291 O O   . PRO A 1 169 ? 16.931 -13.210 -7.858  1.000 67.511  0  169 PRO A O   1 ? 
ATOM   1292 C CB  . PRO A 1 169 ? 15.896 -14.740 -10.675 1.000 50.095  0  169 PRO A CB  1 ? 
ATOM   1293 C CG  . PRO A 1 169 ? 15.219 -16.006 -11.144 1.000 47.292  0  169 PRO A CG  1 ? 
ATOM   1294 C CD  . PRO A 1 169 ? 14.500 -16.560 -9.926  1.000 40.832  0  169 PRO A CD  1 ? 
HETATM 1295 C C1  . S3P B 2 .   ? 32.599 -15.536 18.805  1.000 25.901  0  201 S3P A C1  1 ? 
HETATM 1296 C C2  . S3P B 2 .   ? 31.472 -16.233 18.586  1.000 29.028  0  201 S3P A C2  1 ? 
HETATM 1297 C C3  . S3P B 2 .   ? 31.281 -17.690 18.876  1.000 32.046  0  201 S3P A C3  1 ? 
HETATM 1298 C C4  . S3P B 2 .   ? 32.649 -18.362 19.033  1.000 29.986  0  201 S3P A C4  1 ? 
HETATM 1299 C C5  . S3P B 2 .   ? 33.600 -17.559 19.901  1.000 30.723  0  201 S3P A C5  1 ? 
HETATM 1300 C C6  . S3P B 2 .   ? 33.858 -16.186 19.332  1.000 25.114  0  201 S3P A C6  1 ? 
HETATM 1301 C C7  . S3P B 2 .   ? 32.603 -14.114 18.444  1.000 25.741  0  201 S3P A C7  1 ? 
HETATM 1302 O O1  . S3P B 2 .   ? 30.434 -18.272 17.841  1.000 33.211  0  201 S3P A O1  1 ? 
HETATM 1303 O O2  . S3P B 2 .   ? 33.279 -18.537 17.747  1.000 27.742  0  201 S3P A O2  1 ? 
HETATM 1304 O O3  . S3P B 2 .   ? 33.094 -17.429 21.222  1.000 30.024  0  201 S3P A O3  1 ? 
HETATM 1305 O O4  . S3P B 2 .   ? 31.510 -13.503 18.401  1.000 27.098  0  201 S3P A O4  1 ? 
HETATM 1306 O O5  . S3P B 2 .   ? 33.684 -13.567 18.056  1.000 24.544  0  201 S3P A O5  1 ? 
HETATM 1307 P P1  . S3P B 2 .   ? 28.692 -18.212 17.789  1.000 48.444  0  201 S3P A P1  1 ? 
HETATM 1308 O O6  . S3P B 2 .   ? 28.158 -16.956 17.138  1.000 32.736  0  201 S3P A O6  1 ? 
HETATM 1309 O O7  . S3P B 2 .   ? 28.253 -18.203 19.280  1.000 43.097  0  201 S3P A O7  1 ? 
HETATM 1310 O O8  . S3P B 2 .   ? 28.246 -19.477 16.991  1.000 54.138  0  201 S3P A O8  1 ? 
HETATM 1311 S S   . SO4 C 3 .   ? 23.185 -18.185 17.282  1.000 29.474  0  202 SO4 A S   1 ? 
HETATM 1312 O O1  . SO4 C 3 .   ? 23.534 -17.397 16.132  1.000 24.900  0  202 SO4 A O1  1 ? 
HETATM 1313 O O2  . SO4 C 3 .   ? 21.798 -17.840 17.569  1.000 30.065  0  202 SO4 A O2  1 ? 
HETATM 1314 O O3  . SO4 C 3 .   ? 24.006 -17.859 18.446  1.000 31.066  -1 202 SO4 A O3  1 ? 
HETATM 1315 O O4  . SO4 C 3 .   ? 23.299 -19.571 17.028  1.000 27.204  0  202 SO4 A O4  1 ? 
HETATM 1316 S S   . SO4 D 3 .   ? 41.304 -18.009 -1.501  1.000 39.168  0  203 SO4 A S   1 ? 
HETATM 1317 O O1  . SO4 D 3 .   ? 42.290 -17.151 -2.034  1.000 46.081  0  203 SO4 A O1  1 ? 
HETATM 1318 O O2  . SO4 D 3 .   ? 40.329 -18.271 -2.547  1.000 37.529  0  203 SO4 A O2  1 ? 
HETATM 1319 O O3  . SO4 D 3 .   ? 41.937 -19.227 -1.096  1.000 32.822  0  203 SO4 A O3  1 ? 
HETATM 1320 O O4  . SO4 D 3 .   ? 40.652 -17.351 -0.405  1.000 39.508  0  203 SO4 A O4  1 ? 
HETATM 1321 S S   . SO4 E 3 .   ? 22.678 -18.384 25.760  1.000 74.002  0  204 SO4 A S   1 ? 
HETATM 1322 O O1  . SO4 E 3 .   ? 23.919 -17.661 25.879  1.000 80.136  0  204 SO4 A O1  1 ? 
HETATM 1323 O O2  . SO4 E 3 .   ? 22.482 -18.799 24.395  1.000 90.178  0  204 SO4 A O2  1 ? 
HETATM 1324 O O3  . SO4 E 3 .   ? 22.700 -19.570 26.599  1.000 76.464  0  204 SO4 A O3  1 ? 
HETATM 1325 O O4  . SO4 E 3 .   ? 21.600 -17.513 26.143  1.000 72.909  0  204 SO4 A O4  1 ? 
HETATM 1326 S S   . SO4 F 3 .   ? 37.789 -7.129  2.174   1.000 90.194  0  205 SO4 A S   1 ? 
HETATM 1327 O O1  . SO4 F 3 .   ? 39.064 -7.736  2.493   1.000 79.810  0  205 SO4 A O1  1 ? 
HETATM 1328 O O2  . SO4 F 3 .   ? 37.691 -6.873  0.751   1.000 86.366  0  205 SO4 A O2  1 ? 
HETATM 1329 O O3  . SO4 F 3 .   ? 36.722 -8.012  2.570   1.000 58.836  0  205 SO4 A O3  1 ? 
HETATM 1330 O O4  . SO4 F 3 .   ? 37.680 -5.880  2.877   1.000 88.096  0  205 SO4 A O4  1 ? 
HETATM 1331 O O   . HOH G 4 .   ? 42.773 -27.201 26.166  1.000 59.038  0  301 HOH A O   1 ? 
HETATM 1332 O O   . HOH G 4 .   ? 44.899 -16.842 5.511   1.000 64.994  0  302 HOH A O   1 ? 
HETATM 1333 O O   . HOH G 4 .   ? 27.947 -21.149 13.981  1.000 44.955  0  303 HOH A O   1 ? 
HETATM 1334 O O   . HOH G 4 .   ? 16.601 -10.904 -8.511  1.000 65.918  0  304 HOH A O   1 ? 
HETATM 1335 O O   . HOH G 4 .   ? 49.297 -18.197 20.511  1.000 62.416  0  305 HOH A O   1 ? 
HETATM 1336 O O   . HOH G 4 .   ? 36.848 -4.017  6.124   1.000 61.405  0  306 HOH A O   1 ? 
HETATM 1337 O O   . HOH G 4 .   ? 25.934 -18.635 20.019  1.000 37.227  0  307 HOH A O   1 ? 
HETATM 1338 O O   . HOH G 4 .   ? 28.820 -15.406 18.986  1.000 65.772  0  308 HOH A O   1 ? 
HETATM 1339 O O   . HOH G 4 .   ? 20.650 -17.674 19.791  1.000 46.702  0  309 HOH A O   1 ? 
HETATM 1340 O O   . HOH G 4 .   ? 49.590 -22.066 21.549  1.000 49.819  0  310 HOH A O   1 ? 
HETATM 1341 O O   . HOH G 4 .   ? 26.598 -13.870 26.874  1.000 33.478  0  311 HOH A O   1 ? 
HETATM 1342 O O   . HOH G 4 .   ? 19.408 -9.021  0.559   1.000 47.091  0  312 HOH A O   1 ? 
HETATM 1343 O O   . HOH G 4 .   ? 12.396 -22.462 -2.519  1.000 71.154  0  313 HOH A O   1 ? 
HETATM 1344 O O   . HOH G 4 .   ? 24.695 -28.726 -3.586  1.000 58.752  0  314 HOH A O   1 ? 
HETATM 1345 O O   . HOH G 4 .   ? 38.341 -16.497 -2.882  1.000 42.210  0  315 HOH A O   1 ? 
HETATM 1346 O O   . HOH G 4 .   ? 42.958 -22.253 1.906   1.000 50.015  0  316 HOH A O   1 ? 
HETATM 1347 O O   . HOH G 4 .   ? 38.951 -16.501 11.865  1.000 24.683  0  317 HOH A O   1 ? 
HETATM 1348 O O   . HOH G 4 .   ? 20.267 -18.876 -5.180  1.000 59.229  0  318 HOH A O   1 ? 
HETATM 1349 O O   . HOH G 4 .   ? 40.431 -10.771 22.561  1.000 52.803  0  319 HOH A O   1 ? 
HETATM 1350 O O   . HOH G 4 .   ? 43.888 -21.774 6.095   1.000 48.057  0  320 HOH A O   1 ? 
HETATM 1351 O O   . HOH G 4 .   ? 22.212 -15.966 -2.214  1.000 35.453  0  321 HOH A O   1 ? 
HETATM 1352 O O   . HOH G 4 .   ? 21.072 -13.028 31.728  1.000 50.258  0  322 HOH A O   1 ? 
HETATM 1353 O O   . HOH G 4 .   ? 42.914 -13.614 7.597   1.000 30.502  0  323 HOH A O   1 ? 
HETATM 1354 O O   . HOH G 4 .   ? 33.354 -6.092  31.475  1.000 48.331  0  324 HOH A O   1 ? 
HETATM 1355 O O   . HOH G 4 .   ? 32.593 -26.155 24.710  1.000 53.914  0  325 HOH A O   1 ? 
HETATM 1356 O O   . HOH G 4 .   ? 42.779 -17.835 -4.544  1.000 38.061  0  326 HOH A O   1 ? 
HETATM 1357 O O   . HOH G 4 .   ? 22.369 -23.398 -2.687  1.000 40.257  0  327 HOH A O   1 ? 
HETATM 1358 O O   . HOH G 4 .   ? 39.960 -12.193 12.787  1.000 41.803  0  328 HOH A O   1 ? 
HETATM 1359 O O   . HOH G 4 .   ? 10.839 -12.268 25.173  1.000 80.808  0  329 HOH A O   1 ? 
HETATM 1360 O O   . HOH G 4 .   ? 44.047 -28.973 15.796  1.000 41.290  0  330 HOH A O   1 ? 
HETATM 1361 O O   . HOH G 4 .   ? 22.144 -4.269  6.799   1.000 53.032  0  331 HOH A O   1 ? 
HETATM 1362 O O   . HOH G 4 .   ? 46.655 -15.350 20.523  1.000 35.662  0  332 HOH A O   1 ? 
HETATM 1363 O O   . HOH G 4 .   ? 24.861 -7.905  1.498   1.000 57.794  0  333 HOH A O   1 ? 
HETATM 1364 O O   . HOH G 4 .   ? 33.809 -16.696 15.822  1.000 22.080  0  334 HOH A O   1 ? 
HETATM 1365 O O   . HOH G 4 .   ? 30.202 -3.559  3.764   1.000 40.432  0  335 HOH A O   1 ? 
HETATM 1366 O O   . HOH G 4 .   ? 33.663 -8.086  23.200  1.000 36.459  0  336 HOH A O   1 ? 
HETATM 1367 O O   . HOH G 4 .   ? 44.103 -31.171 22.628  1.000 33.380  0  337 HOH A O   1 ? 
HETATM 1368 O O   . HOH G 4 .   ? 37.736 -8.867  20.095  1.000 50.036  0  338 HOH A O   1 ? 
HETATM 1369 O O   . HOH G 4 .   ? 28.740 -21.309 -4.837  1.000 29.724  0  339 HOH A O   1 ? 
HETATM 1370 O O   . HOH G 4 .   ? 8.478  -23.918 14.287  1.000 52.681  0  340 HOH A O   1 ? 
HETATM 1371 O O   . HOH G 4 .   ? 30.621 -13.405 20.977  1.000 35.562  0  341 HOH A O   1 ? 
HETATM 1372 O O   . HOH G 4 .   ? 33.802 -20.612 14.256  1.000 28.823  0  342 HOH A O   1 ? 
HETATM 1373 O O   . HOH G 4 .   ? 26.151 -21.606 -3.565  1.000 44.278  0  343 HOH A O   1 ? 
HETATM 1374 O O   . HOH G 4 .   ? 32.591 -3.537  31.627  1.000 50.356  0  344 HOH A O   1 ? 
HETATM 1375 O O   . HOH G 4 .   ? 42.287 -24.941 5.724   1.000 38.835  0  345 HOH A O   1 ? 
HETATM 1376 O O   . HOH G 4 .   ? 18.747 -17.119 -5.591  1.000 54.417  0  346 HOH A O   1 ? 
HETATM 1377 O O   . HOH G 4 .   ? 23.732 -10.639 13.286  1.000 25.343  0  347 HOH A O   1 ? 
HETATM 1378 O O   . HOH G 4 .   ? 22.380 -18.390 -3.872  1.000 31.484  0  348 HOH A O   1 ? 
HETATM 1379 O O   . HOH G 4 .   ? 39.667 -10.401 2.145   1.000 40.308  0  349 HOH A O   1 ? 
HETATM 1380 O O   . HOH G 4 .   ? 17.329 -13.509 28.383  1.000 63.685  0  350 HOH A O   1 ? 
HETATM 1381 O O   . HOH G 4 .   ? 17.784 -5.929  12.592  1.000 55.926  0  351 HOH A O   1 ? 
HETATM 1382 O O   . HOH G 4 .   ? 9.012  -15.610 17.042  0.500 72.526  0  352 HOH A O   1 ? 
HETATM 1383 O O   . HOH G 4 .   ? 33.016 -20.635 24.656  1.000 40.431  0  353 HOH A O   1 ? 
HETATM 1384 O O   . HOH G 4 .   ? 17.646 -6.778  25.577  1.000 47.323  0  354 HOH A O   1 ? 
HETATM 1385 O O   . HOH G 4 .   ? 23.147 -5.143  9.255   1.000 53.355  0  355 HOH A O   1 ? 
HETATM 1386 O O   . HOH G 4 .   ? 25.483 -1.402  17.488  1.000 37.818  0  356 HOH A O   1 ? 
HETATM 1387 O O   . HOH G 4 .   ? 29.215 -28.436 -3.869  1.000 49.152  0  357 HOH A O   1 ? 
HETATM 1388 O O   . HOH G 4 .   ? 28.059 -21.817 -1.024  1.000 35.479  0  358 HOH A O   1 ? 
HETATM 1389 O O   . HOH G 4 .   ? 31.464 -14.330 11.347  1.000 44.720  0  359 HOH A O   1 ? 
HETATM 1390 O O   . HOH G 4 .   ? 25.822 -16.450 27.544  1.000 31.616  0  360 HOH A O   1 ? 
HETATM 1391 O O   . HOH G 4 .   ? 20.512 -4.788  5.202   1.000 68.081  0  361 HOH A O   1 ? 
HETATM 1392 O O   . HOH G 4 .   ? 37.581 -17.963 27.620  1.000 35.490  0  362 HOH A O   1 ? 
HETATM 1393 O O   . HOH G 4 .   ? 25.544 -22.584 14.710  1.000 52.202  0  363 HOH A O   1 ? 
HETATM 1394 O O   . HOH G 4 .   ? 18.633 -32.880 7.249   1.000 68.893  0  364 HOH A O   1 ? 
HETATM 1395 O O   . HOH G 4 .   ? 19.578 -2.726  17.443  1.000 51.730  0  365 HOH A O   1 ? 
HETATM 1396 O O   . HOH G 4 .   ? 29.731 -14.872 -2.646  1.000 26.918  0  366 HOH A O   1 ? 
HETATM 1397 O O   . HOH G 4 .   ? 22.941 -32.021 10.668  1.000 52.716  0  367 HOH A O   1 ? 
HETATM 1398 O O   . HOH G 4 .   ? 29.093 -15.666 11.502  1.000 27.719  0  368 HOH A O   1 ? 
HETATM 1399 O O   . HOH G 4 .   ? 30.311 -18.790 22.670  1.000 43.703  0  369 HOH A O   1 ? 
HETATM 1400 O O   . HOH G 4 .   ? 30.915 -1.992  34.848  1.000 61.906  0  370 HOH A O   1 ? 
HETATM 1401 O O   . HOH G 4 .   ? 28.844 -0.409  6.351   1.000 45.931  0  371 HOH A O   1 ? 
HETATM 1402 O O   . HOH G 4 .   ? 29.075 -16.536 21.530  1.000 40.625  0  372 HOH A O   1 ? 
HETATM 1403 O O   . HOH G 4 .   ? 44.146 -31.188 14.183  1.000 51.570  0  373 HOH A O   1 ? 
HETATM 1404 O O   . HOH G 4 .   ? 36.394 -27.757 8.975   1.000 43.772  0  374 HOH A O   1 ? 
HETATM 1405 O O   . HOH G 4 .   ? 48.422 -18.774 28.991  1.000 57.402  0  375 HOH A O   1 ? 
HETATM 1406 O O   . HOH G 4 .   ? 32.360 -14.933 22.545  1.000 27.464  0  376 HOH A O   1 ? 
HETATM 1407 O O   . HOH G 4 .   ? 5.159  -16.277 6.242   1.000 55.133  0  377 HOH A O   1 ? 
HETATM 1408 O O   . HOH G 4 .   ? 25.816 -20.939 16.354  1.000 40.083  0  378 HOH A O   1 ? 
HETATM 1409 O O   . HOH G 4 .   ? 29.381 -33.008 3.211   1.000 62.176  0  379 HOH A O   1 ? 
HETATM 1410 O O   . HOH G 4 .   ? 38.822 -14.306 -2.804  1.000 52.004  0  380 HOH A O   1 ? 
HETATM 1411 O O   . HOH G 4 .   ? 38.842 -10.499 15.655  1.000 54.927  0  381 HOH A O   1 ? 
HETATM 1412 O O   . HOH G 4 .   ? 35.189 -22.260 17.640  1.000 104.130 0  382 HOH A O   1 ? 
HETATM 1413 O O   . HOH G 4 .   ? 26.419 -29.422 -1.968  1.000 63.861  0  383 HOH A O   1 ? 
HETATM 1414 O O   . HOH G 4 .   ? 41.535 -9.610  11.914  1.000 54.777  0  384 HOH A O   1 ? 
HETATM 1415 O O   . HOH G 4 .   ? 34.961 -13.319 29.143  1.000 54.916  0  385 HOH A O   1 ? 
HETATM 1416 O O   . HOH G 4 .   ? 28.658 -29.185 13.684  1.000 42.539  0  386 HOH A O   1 ? 
HETATM 1417 O O   . HOH G 4 .   ? 19.979 -20.123 17.151  1.000 34.350  0  387 HOH A O   1 ? 
HETATM 1418 O O   . HOH G 4 .   ? 20.832 -2.690  23.104  1.000 56.911  0  388 HOH A O   1 ? 
HETATM 1419 O O   . HOH G 4 .   ? 45.870 -30.676 10.047  1.000 47.506  0  389 HOH A O   1 ? 
HETATM 1420 O O   . HOH G 4 .   ? 33.791 -23.115 25.220  1.000 28.371  0  390 HOH A O   1 ? 
HETATM 1421 O O   . HOH G 4 .   ? 24.567 -25.373 15.420  1.000 49.211  0  391 HOH A O   1 ? 
HETATM 1422 O O   . HOH G 4 .   ? 38.372 -7.107  10.443  1.000 54.915  0  392 HOH A O   1 ? 
HETATM 1423 O O   . HOH G 4 .   ? 36.477 -9.710  17.647  1.000 46.451  0  393 HOH A O   1 ? 
HETATM 1424 O O   . HOH G 4 .   ? 20.156 -27.805 -2.647  1.000 52.761  0  394 HOH A O   1 ? 
HETATM 1425 O O   . HOH G 4 .   ? 34.998 -7.858  16.256  1.000 33.389  0  395 HOH A O   1 ? 
HETATM 1426 O O   . HOH G 4 .   ? 26.030 -26.623 16.595  1.000 61.774  0  396 HOH A O   1 ? 
HETATM 1427 O O   . HOH G 4 .   ? 25.598 -32.667 4.233   1.000 42.764  0  397 HOH A O   1 ? 
HETATM 1428 O O   . HOH G 4 .   ? 29.387 -23.144 26.975  1.000 38.513  0  398 HOH A O   1 ? 
HETATM 1429 O O   . HOH G 4 .   ? 18.030 -2.736  19.565  1.000 37.215  0  399 HOH A O   1 ? 
HETATM 1430 O O   . HOH G 4 .   ? 42.832 -12.604 23.739  1.000 44.941  0  400 HOH A O   1 ? 
HETATM 1431 O O   . HOH G 4 .   ? 32.632 -5.820  22.491  1.000 29.665  0  401 HOH A O   1 ? 
HETATM 1432 O O   . HOH G 4 .   ? 42.932 -14.918 11.006  1.000 47.173  0  402 HOH A O   1 ? 
HETATM 1433 O O   . HOH G 4 .   ? 43.092 -26.595 7.252   1.000 53.752  0  403 HOH A O   1 ? 
HETATM 1434 O O   . HOH G 4 .   ? 33.417 -10.327 27.339  1.000 34.040  0  404 HOH A O   1 ? 
HETATM 1435 O O   . HOH G 4 .   ? 37.290 -10.328 0.597   1.000 49.700  0  405 HOH A O   1 ? 
HETATM 1436 O O   . HOH G 4 .   ? 45.430 -12.517 21.135  1.000 43.347  0  406 HOH A O   1 ? 
HETATM 1437 O O   . HOH G 4 .   ? 14.109 -10.007 5.888   1.000 54.957  0  407 HOH A O   1 ? 
HETATM 1438 O O   . HOH G 4 .   ? 22.869 -7.866  13.053  1.000 43.916  0  408 HOH A O   1 ? 
HETATM 1439 O O   . HOH G 4 .   ? 31.027 -21.976 20.653  1.000 46.777  0  409 HOH A O   1 ? 
HETATM 1440 O O   . HOH G 4 .   ? 27.099 -8.940  19.348  1.000 92.123  0  410 HOH A O   1 ? 
HETATM 1441 O O   . HOH G 4 .   ? 26.216 -26.517 -3.212  1.000 53.766  0  411 HOH A O   1 ? 
HETATM 1442 O O   . HOH G 4 .   ? 40.465 -22.648 30.667  1.000 63.736  0  412 HOH A O   1 ? 
HETATM 1443 O O   . HOH G 4 .   ? 20.952 -21.728 -4.078  1.000 56.031  0  413 HOH A O   1 ? 
HETATM 1444 O O   . HOH G 4 .   ? 38.117 -29.341 10.293  1.000 59.393  0  414 HOH A O   1 ? 
HETATM 1445 O O   . HOH G 4 .   ? 37.851 -5.492  16.856  1.000 76.102  0  415 HOH A O   1 ? 
HETATM 1446 O O   . HOH G 4 .   ? 22.099 -0.886  27.981  1.000 44.846  0  416 HOH A O   1 ? 
HETATM 1447 O O   . HOH G 4 .   ? 31.356 -2.254  25.857  1.000 58.097  0  417 HOH A O   1 ? 
HETATM 1448 O O   . HOH G 4 .   ? 18.009 -15.431 29.990  1.000 63.796  0  418 HOH A O   1 ? 
HETATM 1449 O O   . HOH G 4 .   ? 39.149 -15.533 27.657  1.000 49.706  0  419 HOH A O   1 ? 
HETATM 1450 O O   . HOH G 4 .   ? 24.758 -32.979 2.163   1.000 74.132  0  420 HOH A O   1 ? 
HETATM 1451 O O   . HOH G 4 .   ? 31.717 -3.805  28.528  1.000 59.733  0  421 HOH A O   1 ? 
HETATM 1452 O O   . HOH G 4 .   ? 35.510 -29.780 7.086   1.000 54.221  0  422 HOH A O   1 ? 
HETATM 1453 O O   . HOH G 4 .   ? 34.865 -8.399  25.742  1.000 42.989  0  423 HOH A O   1 ? 
HETATM 1454 O O   . HOH G 4 .   ? 25.081 -23.790 -3.891  1.000 50.246  0  424 HOH A O   1 ? 
HETATM 1455 O O   . HOH G 4 .   ? 34.808 -10.469 29.573  1.000 41.256  0  425 HOH A O   1 ? 
HETATM 1456 O O   . HOH G 4 .   ? 35.202 -32.950 -0.964  1.000 55.540  0  426 HOH A O   1 ? 
HETATM 1457 O O   . HOH G 4 .   ? 48.535 -16.364 15.774  1.000 63.620  0  427 HOH A O   1 ? 
HETATM 1458 O O   . HOH G 4 .   ? 30.352 -24.509 20.992  1.000 63.996  0  428 HOH A O   1 ? 
HETATM 1459 O O   . HOH G 4 .   ? 43.526 -14.196 2.012   1.000 51.773  0  429 HOH A O   1 ? 
HETATM 1460 O O   . HOH G 4 .   ? 33.509 -23.909 27.950  1.000 35.994  0  430 HOH A O   1 ? 
HETATM 1461 O O   . HOH G 4 .   ? 14.342 -34.927 3.956   1.000 63.138  0  431 HOH A O   1 ? 
HETATM 1462 O O   . HOH G 4 .   ? 43.723 -12.270 10.210  1.000 60.801  0  432 HOH A O   1 ? 
HETATM 1463 O O   . HOH G 4 .   ? 43.390 -9.929  10.668  1.000 55.488  0  433 HOH A O   1 ? 
HETATM 1464 O O   . HOH G 4 .   ? 33.199 -32.036 20.197  1.000 59.756  0  434 HOH A O   1 ? 
HETATM 1465 O O   . HOH G 4 .   ? 36.866 -6.712  14.206  1.000 57.330  0  435 HOH A O   1 ? 
HETATM 1466 O O   . HOH G 4 .   ? 19.392 -4.525  25.665  1.000 58.438  0  436 HOH A O   1 ? 
HETATM 1467 O O   . HOH G 4 .   ? 44.808 -15.147 -5.280  1.000 57.564  0  437 HOH A O   1 ? 
HETATM 1468 O O   . HOH G 4 .   ? 48.390 -14.479 13.192  1.000 64.959  0  438 HOH A O   1 ? 
HETATM 1469 O O   . HOH G 4 .   ? 39.040 -9.370  24.543  1.000 61.139  0  439 HOH A O   1 ? 
HETATM 1470 O O   . HOH G 4 .   ? 44.939 -11.836 7.481   1.000 67.692  0  440 HOH A O   1 ? 
HETATM 1471 O O   . HOH G 4 .   ? 35.709 -7.982  21.262  1.000 48.427  0  441 HOH A O   1 ? 
HETATM 1472 O O   . HOH G 4 .   ? 34.869 -5.620  25.935  1.000 58.051  0  442 HOH A O   1 ? 
HETATM 1473 O O   . HOH G 4 .   ? 48.896 -18.977 14.900  1.000 47.216  0  443 HOH A O   1 ? 
HETATM 1474 O O   . HOH G 4 .   ? 33.188 -38.806 13.050  1.000 66.472  0  444 HOH A O   1 ? 
HETATM 1475 O O   . HOH G 4 .   ? 21.126 -37.465 10.242  1.000 61.737  0  445 HOH A O   1 ? 
HETATM 1476 O O   . HOH G 4 .   ? 31.962 -45.611 -5.471  1.000 69.948  0  446 HOH A O   1 ? 
# 
