data_9AW8
# 
_entry.id   9AW8 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_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   9AW8         pdb_00009aw8 10.2210/pdb9aw8/pdb 
WWPDB D_1000282140 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-03-12 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9AW8 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-05 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_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                 3 
_pdbx_contact_author.email              luismauriciolima@gmail.com 
_pdbx_contact_author.name_first         Luis 
_pdbx_contact_author.name_last          Lima 
_pdbx_contact_author.name_mi            T.R. 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-6020-0504 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Lima, L.M.T.R.'    1 0000-0001-6020-0504 
'de Sa Ribeiro, F.' 2 0000-0002-8521-6745 
# 
_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 trypsin at 150 Kelvin with benzamidine' 
_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 'Lima, L.M.T.R.'    1 0000-0001-6020-0504 
primary 'de Sa Ribeiro, F.' 2 0000-0002-8521-6745 
# 
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 'Cationic trypsin' 23324.287 1   3.4.21.4 ? ? ? 
2 non-polymer syn 'CALCIUM ION'      40.078    1   ?        ? ? ? 
3 non-polymer syn BENZAMIDINE        120.152   2   ?        ? ? ? 
4 non-polymer syn GLYCEROL           92.094    1   ?        ? ? ? 
5 water       nat water              18.015    313 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        Beta-trypsin 
# 
_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       
;IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNT
LNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNM
FCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
;
_entity_poly.pdbx_seq_one_letter_code_can   
;IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNT
LNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNM
FCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
;
_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 'CALCIUM ION' CA  
3 BENZAMIDINE   BEN 
4 GLYCEROL      GOL 
5 water         HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ILE n 
1 2   VAL n 
1 3   GLY n 
1 4   GLY n 
1 5   TYR n 
1 6   THR n 
1 7   CYS n 
1 8   GLY n 
1 9   ALA n 
1 10  ASN n 
1 11  THR n 
1 12  VAL n 
1 13  PRO n 
1 14  TYR n 
1 15  GLN n 
1 16  VAL n 
1 17  SER n 
1 18  LEU n 
1 19  ASN n 
1 20  SER n 
1 21  GLY n 
1 22  TYR n 
1 23  HIS n 
1 24  PHE n 
1 25  CYS n 
1 26  GLY n 
1 27  GLY n 
1 28  SER n 
1 29  LEU n 
1 30  ILE n 
1 31  ASN n 
1 32  SER n 
1 33  GLN n 
1 34  TRP n 
1 35  VAL n 
1 36  VAL n 
1 37  SER n 
1 38  ALA n 
1 39  ALA n 
1 40  HIS n 
1 41  CYS n 
1 42  TYR n 
1 43  LYS n 
1 44  SER n 
1 45  GLY n 
1 46  ILE n 
1 47  GLN n 
1 48  VAL n 
1 49  ARG n 
1 50  LEU n 
1 51  GLY n 
1 52  GLU n 
1 53  ASP n 
1 54  ASN n 
1 55  ILE n 
1 56  ASN n 
1 57  VAL n 
1 58  VAL n 
1 59  GLU n 
1 60  GLY n 
1 61  ASN n 
1 62  GLU n 
1 63  GLN n 
1 64  PHE n 
1 65  ILE n 
1 66  SER n 
1 67  ALA n 
1 68  SER n 
1 69  LYS n 
1 70  SER n 
1 71  ILE n 
1 72  VAL n 
1 73  HIS n 
1 74  PRO n 
1 75  SER n 
1 76  TYR n 
1 77  ASN n 
1 78  SER n 
1 79  ASN n 
1 80  THR n 
1 81  LEU n 
1 82  ASN n 
1 83  ASN n 
1 84  ASP n 
1 85  ILE n 
1 86  MET n 
1 87  LEU n 
1 88  ILE n 
1 89  LYS n 
1 90  LEU n 
1 91  LYS n 
1 92  SER n 
1 93  ALA n 
1 94  ALA n 
1 95  SER n 
1 96  LEU n 
1 97  ASN n 
1 98  SER n 
1 99  ARG n 
1 100 VAL n 
1 101 ALA n 
1 102 SER n 
1 103 ILE n 
1 104 SER n 
1 105 LEU n 
1 106 PRO n 
1 107 THR n 
1 108 SER n 
1 109 CYS n 
1 110 ALA n 
1 111 SER n 
1 112 ALA n 
1 113 GLY n 
1 114 THR n 
1 115 GLN n 
1 116 CYS n 
1 117 LEU n 
1 118 ILE n 
1 119 SER n 
1 120 GLY n 
1 121 TRP n 
1 122 GLY n 
1 123 ASN n 
1 124 THR n 
1 125 LYS n 
1 126 SER n 
1 127 SER n 
1 128 GLY n 
1 129 THR n 
1 130 SER n 
1 131 TYR n 
1 132 PRO n 
1 133 ASP n 
1 134 VAL n 
1 135 LEU n 
1 136 LYS n 
1 137 CYS n 
1 138 LEU n 
1 139 LYS n 
1 140 ALA n 
1 141 PRO n 
1 142 ILE n 
1 143 LEU n 
1 144 SER n 
1 145 ASP n 
1 146 SER n 
1 147 SER n 
1 148 CYS n 
1 149 LYS n 
1 150 SER n 
1 151 ALA n 
1 152 TYR n 
1 153 PRO n 
1 154 GLY n 
1 155 GLN n 
1 156 ILE n 
1 157 THR n 
1 158 SER n 
1 159 ASN n 
1 160 MET n 
1 161 PHE n 
1 162 CYS n 
1 163 ALA n 
1 164 GLY n 
1 165 TYR n 
1 166 LEU n 
1 167 GLU n 
1 168 GLY n 
1 169 GLY n 
1 170 LYS n 
1 171 ASP n 
1 172 SER n 
1 173 CYS n 
1 174 GLN n 
1 175 GLY n 
1 176 ASP n 
1 177 SER n 
1 178 GLY n 
1 179 GLY n 
1 180 PRO n 
1 181 VAL n 
1 182 VAL n 
1 183 CYS n 
1 184 SER n 
1 185 GLY n 
1 186 LYS n 
1 187 LEU n 
1 188 GLN n 
1 189 GLY n 
1 190 ILE n 
1 191 VAL n 
1 192 SER n 
1 193 TRP n 
1 194 GLY n 
1 195 SER n 
1 196 GLY n 
1 197 CYS n 
1 198 ALA n 
1 199 GLN n 
1 200 LYS n 
1 201 ASN n 
1 202 LYS n 
1 203 PRO n 
1 204 GLY n 
1 205 VAL n 
1 206 TYR n 
1 207 THR n 
1 208 LYS n 
1 209 VAL n 
1 210 CYS n 
1 211 ASN n 
1 212 TYR n 
1 213 VAL n 
1 214 SER n 
1 215 TRP n 
1 216 ILE n 
1 217 LYS n 
1 218 GLN n 
1 219 THR n 
1 220 ILE n 
1 221 ALA n 
1 222 SER n 
1 223 ASN 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                   223 
_entity_src_gen.gene_src_common_name               cattle 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 ? 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Bos taurus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9913 
_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      'Bos taurus' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     9913 
_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 
BEN non-polymer         . BENZAMIDINE     ?                               'C7 H8 N2'       120.152 
CA  non-polymer         . 'CALCIUM ION'   ?                               'Ca 2'           40.078  
CYS 'L-peptide linking' y CYSTEINE        ?                               'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ?                               'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ?                               'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ?                               'C2 H5 N O2'     75.067  
GOL non-polymer         . GLYCEROL        'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       92.094  
HIS 'L-peptide linking' y HISTIDINE       ?                               'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ?                               'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ?                               'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ?                               'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ?                               'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ?                               'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ?                               'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ?                               'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ?                               'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ?                               'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ?                               'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ?                               'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ?                               'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   ILE 1   1   1   ILE ILE A . n 
A 1 2   VAL 2   2   2   VAL VAL A . n 
A 1 3   GLY 3   3   3   GLY GLY A . n 
A 1 4   GLY 4   4   4   GLY GLY A . n 
A 1 5   TYR 5   5   5   TYR TYR A . n 
A 1 6   THR 6   6   6   THR THR A . n 
A 1 7   CYS 7   7   7   CYS CYS A . n 
A 1 8   GLY 8   8   8   GLY GLY A . n 
A 1 9   ALA 9   9   9   ALA ALA A . n 
A 1 10  ASN 10  10  10  ASN ASN A . n 
A 1 11  THR 11  11  11  THR THR A . n 
A 1 12  VAL 12  12  12  VAL VAL A . n 
A 1 13  PRO 13  13  13  PRO PRO A . n 
A 1 14  TYR 14  14  14  TYR TYR A . n 
A 1 15  GLN 15  15  15  GLN GLN A . n 
A 1 16  VAL 16  16  16  VAL VAL A . n 
A 1 17  SER 17  17  17  SER SER A . n 
A 1 18  LEU 18  18  18  LEU LEU A . n 
A 1 19  ASN 19  19  19  ASN ASN A . n 
A 1 20  SER 20  20  20  SER SER A . n 
A 1 21  GLY 21  21  21  GLY GLY A . n 
A 1 22  TYR 22  22  22  TYR TYR A . n 
A 1 23  HIS 23  23  23  HIS HIS A . n 
A 1 24  PHE 24  24  24  PHE PHE A . n 
A 1 25  CYS 25  25  25  CYS CYS A . n 
A 1 26  GLY 26  26  26  GLY GLY A . n 
A 1 27  GLY 27  27  27  GLY GLY A . n 
A 1 28  SER 28  28  28  SER SER A . n 
A 1 29  LEU 29  29  29  LEU LEU A . n 
A 1 30  ILE 30  30  30  ILE ILE A . n 
A 1 31  ASN 31  31  31  ASN ASN A . n 
A 1 32  SER 32  32  32  SER SER A . n 
A 1 33  GLN 33  33  33  GLN GLN A . n 
A 1 34  TRP 34  34  34  TRP TRP A . n 
A 1 35  VAL 35  35  35  VAL VAL A . n 
A 1 36  VAL 36  36  36  VAL VAL A . n 
A 1 37  SER 37  37  37  SER SER A . n 
A 1 38  ALA 38  38  38  ALA ALA A . n 
A 1 39  ALA 39  39  39  ALA ALA A . n 
A 1 40  HIS 40  40  40  HIS HIS A . n 
A 1 41  CYS 41  41  41  CYS CYS A . n 
A 1 42  TYR 42  42  42  TYR TYR A . n 
A 1 43  LYS 43  43  43  LYS LYS A . n 
A 1 44  SER 44  44  44  SER SER A . n 
A 1 45  GLY 45  45  45  GLY GLY A . n 
A 1 46  ILE 46  46  46  ILE ILE A . n 
A 1 47  GLN 47  47  47  GLN GLN A . n 
A 1 48  VAL 48  48  48  VAL VAL A . n 
A 1 49  ARG 49  49  49  ARG ARG A . n 
A 1 50  LEU 50  50  50  LEU LEU A . n 
A 1 51  GLY 51  51  51  GLY GLY A . n 
A 1 52  GLU 52  52  52  GLU GLU A . n 
A 1 53  ASP 53  53  53  ASP ASP A . n 
A 1 54  ASN 54  54  54  ASN ASN A . n 
A 1 55  ILE 55  55  55  ILE ILE A . n 
A 1 56  ASN 56  56  56  ASN ASN A . n 
A 1 57  VAL 57  57  57  VAL VAL A . n 
A 1 58  VAL 58  58  58  VAL VAL A . n 
A 1 59  GLU 59  59  59  GLU GLU A . n 
A 1 60  GLY 60  60  60  GLY GLY A . n 
A 1 61  ASN 61  61  61  ASN ASN A . n 
A 1 62  GLU 62  62  62  GLU GLU A . n 
A 1 63  GLN 63  63  63  GLN GLN A . n 
A 1 64  PHE 64  64  64  PHE PHE A . n 
A 1 65  ILE 65  65  65  ILE ILE A . n 
A 1 66  SER 66  66  66  SER SER A . n 
A 1 67  ALA 67  67  67  ALA ALA A . n 
A 1 68  SER 68  68  68  SER SER A . n 
A 1 69  LYS 69  69  69  LYS LYS A . n 
A 1 70  SER 70  70  70  SER SER A . n 
A 1 71  ILE 71  71  71  ILE ILE A . n 
A 1 72  VAL 72  72  72  VAL VAL A . n 
A 1 73  HIS 73  73  73  HIS HIS A . n 
A 1 74  PRO 74  74  74  PRO PRO A . n 
A 1 75  SER 75  75  75  SER SER A . n 
A 1 76  TYR 76  76  76  TYR TYR A . n 
A 1 77  ASN 77  77  77  ASN ASN A . n 
A 1 78  SER 78  78  78  SER SER A . n 
A 1 79  ASN 79  79  79  ASN ASN A . n 
A 1 80  THR 80  80  80  THR THR A . n 
A 1 81  LEU 81  81  81  LEU LEU A . n 
A 1 82  ASN 82  82  82  ASN ASN A . n 
A 1 83  ASN 83  83  83  ASN ASN A . n 
A 1 84  ASP 84  84  84  ASP ASP A . n 
A 1 85  ILE 85  85  85  ILE ILE A . n 
A 1 86  MET 86  86  86  MET MET A . n 
A 1 87  LEU 87  87  87  LEU LEU A . n 
A 1 88  ILE 88  88  88  ILE ILE A . n 
A 1 89  LYS 89  89  89  LYS LYS A . n 
A 1 90  LEU 90  90  90  LEU LEU A . n 
A 1 91  LYS 91  91  91  LYS LYS A . n 
A 1 92  SER 92  92  92  SER SER A . n 
A 1 93  ALA 93  93  93  ALA ALA A . n 
A 1 94  ALA 94  94  94  ALA ALA A . n 
A 1 95  SER 95  95  95  SER SER A . n 
A 1 96  LEU 96  96  96  LEU LEU A . n 
A 1 97  ASN 97  97  97  ASN ASN A . n 
A 1 98  SER 98  98  98  SER SER A . n 
A 1 99  ARG 99  99  99  ARG ARG A . n 
A 1 100 VAL 100 100 100 VAL VAL A . n 
A 1 101 ALA 101 101 101 ALA ALA A . n 
A 1 102 SER 102 102 102 SER SER A . n 
A 1 103 ILE 103 103 103 ILE ILE A . n 
A 1 104 SER 104 104 104 SER SER A . n 
A 1 105 LEU 105 105 105 LEU LEU A . n 
A 1 106 PRO 106 106 106 PRO PRO A . n 
A 1 107 THR 107 107 107 THR THR A . n 
A 1 108 SER 108 108 108 SER SER A . n 
A 1 109 CYS 109 109 109 CYS CYS A . n 
A 1 110 ALA 110 110 110 ALA ALA A . n 
A 1 111 SER 111 111 111 SER SER A . n 
A 1 112 ALA 112 112 112 ALA ALA A . n 
A 1 113 GLY 113 113 113 GLY GLY A . n 
A 1 114 THR 114 114 114 THR THR A . n 
A 1 115 GLN 115 115 115 GLN GLN A . n 
A 1 116 CYS 116 116 116 CYS CYS A . n 
A 1 117 LEU 117 117 117 LEU LEU A . n 
A 1 118 ILE 118 118 118 ILE ILE A . n 
A 1 119 SER 119 119 119 SER SER A . n 
A 1 120 GLY 120 120 120 GLY GLY A . n 
A 1 121 TRP 121 121 121 TRP TRP A . n 
A 1 122 GLY 122 122 122 GLY GLY A . n 
A 1 123 ASN 123 123 123 ASN ASN A . n 
A 1 124 THR 124 124 124 THR THR A . n 
A 1 125 LYS 125 125 125 LYS LYS A . n 
A 1 126 SER 126 126 126 SER SER A . n 
A 1 127 SER 127 127 127 SER SER A . n 
A 1 128 GLY 128 128 128 GLY GLY A . n 
A 1 129 THR 129 129 129 THR THR A . n 
A 1 130 SER 130 130 130 SER SER A . n 
A 1 131 TYR 131 131 131 TYR TYR A . n 
A 1 132 PRO 132 132 132 PRO PRO A . n 
A 1 133 ASP 133 133 133 ASP ASP A . n 
A 1 134 VAL 134 134 134 VAL VAL A . n 
A 1 135 LEU 135 135 135 LEU LEU A . n 
A 1 136 LYS 136 136 136 LYS LYS A . n 
A 1 137 CYS 137 137 137 CYS CYS A . n 
A 1 138 LEU 138 138 138 LEU LEU A . n 
A 1 139 LYS 139 139 139 LYS LYS A . n 
A 1 140 ALA 140 140 140 ALA ALA A . n 
A 1 141 PRO 141 141 141 PRO PRO A . n 
A 1 142 ILE 142 142 142 ILE ILE A . n 
A 1 143 LEU 143 143 143 LEU LEU A . n 
A 1 144 SER 144 144 144 SER SER A . n 
A 1 145 ASP 145 145 145 ASP ASP A . n 
A 1 146 SER 146 146 146 SER SER A . n 
A 1 147 SER 147 147 147 SER SER A . n 
A 1 148 CYS 148 148 148 CYS CYS A . n 
A 1 149 LYS 149 149 149 LYS LYS A . n 
A 1 150 SER 150 150 150 SER SER A . n 
A 1 151 ALA 151 151 151 ALA ALA A . n 
A 1 152 TYR 152 152 152 TYR TYR A . n 
A 1 153 PRO 153 153 153 PRO PRO A . n 
A 1 154 GLY 154 154 154 GLY GLY A . n 
A 1 155 GLN 155 155 155 GLN GLN A . n 
A 1 156 ILE 156 156 156 ILE ILE A . n 
A 1 157 THR 157 157 157 THR THR A . n 
A 1 158 SER 158 158 158 SER SER A . n 
A 1 159 ASN 159 159 159 ASN ASN A . n 
A 1 160 MET 160 160 160 MET MET A . n 
A 1 161 PHE 161 161 161 PHE PHE A . n 
A 1 162 CYS 162 162 162 CYS CYS A . n 
A 1 163 ALA 163 163 163 ALA ALA A . n 
A 1 164 GLY 164 164 164 GLY GLY A . n 
A 1 165 TYR 165 165 165 TYR TYR A . n 
A 1 166 LEU 166 166 166 LEU LEU A . n 
A 1 167 GLU 167 167 167 GLU GLU A . n 
A 1 168 GLY 168 168 168 GLY GLY A . n 
A 1 169 GLY 169 169 169 GLY GLY A . n 
A 1 170 LYS 170 170 170 LYS LYS A . n 
A 1 171 ASP 171 171 171 ASP ASP A . n 
A 1 172 SER 172 172 172 SER SER A . n 
A 1 173 CYS 173 173 173 CYS CYS A . n 
A 1 174 GLN 174 174 174 GLN GLN A . n 
A 1 175 GLY 175 175 175 GLY GLY A . n 
A 1 176 ASP 176 176 176 ASP ASP A . n 
A 1 177 SER 177 177 177 SER SER A . n 
A 1 178 GLY 178 178 178 GLY GLY A . n 
A 1 179 GLY 179 179 179 GLY GLY A . n 
A 1 180 PRO 180 180 180 PRO PRO A . n 
A 1 181 VAL 181 181 181 VAL VAL A . n 
A 1 182 VAL 182 182 182 VAL VAL A . n 
A 1 183 CYS 183 183 183 CYS CYS A . n 
A 1 184 SER 184 184 184 SER SER A . n 
A 1 185 GLY 185 185 185 GLY GLY A . n 
A 1 186 LYS 186 186 186 LYS LYS A . n 
A 1 187 LEU 187 187 187 LEU LEU A . n 
A 1 188 GLN 188 188 188 GLN GLN A . n 
A 1 189 GLY 189 189 189 GLY GLY A . n 
A 1 190 ILE 190 190 190 ILE ILE A . n 
A 1 191 VAL 191 191 191 VAL VAL A . n 
A 1 192 SER 192 192 192 SER SER A . n 
A 1 193 TRP 193 193 193 TRP TRP A . n 
A 1 194 GLY 194 194 194 GLY GLY A . n 
A 1 195 SER 195 195 195 SER SER A . n 
A 1 196 GLY 196 196 196 GLY GLY A . n 
A 1 197 CYS 197 197 197 CYS CYS A . n 
A 1 198 ALA 198 198 198 ALA ALA A . n 
A 1 199 GLN 199 199 199 GLN GLN A . n 
A 1 200 LYS 200 200 200 LYS LYS A . n 
A 1 201 ASN 201 201 201 ASN ASN A . n 
A 1 202 LYS 202 202 202 LYS LYS A . n 
A 1 203 PRO 203 203 203 PRO PRO A . n 
A 1 204 GLY 204 204 204 GLY GLY A . n 
A 1 205 VAL 205 205 205 VAL VAL A . n 
A 1 206 TYR 206 206 206 TYR TYR A . n 
A 1 207 THR 207 207 207 THR THR A . n 
A 1 208 LYS 208 208 208 LYS LYS A . n 
A 1 209 VAL 209 209 209 VAL VAL A . n 
A 1 210 CYS 210 210 210 CYS CYS A . n 
A 1 211 ASN 211 211 211 ASN ASN A . n 
A 1 212 TYR 212 212 212 TYR TYR A . n 
A 1 213 VAL 213 213 213 VAL VAL A . n 
A 1 214 SER 214 214 214 SER SER A . n 
A 1 215 TRP 215 215 215 TRP TRP A . n 
A 1 216 ILE 216 216 216 ILE ILE A . n 
A 1 217 LYS 217 217 217 LYS LYS A . n 
A 1 218 GLN 218 218 218 GLN GLN A . n 
A 1 219 THR 219 219 219 THR THR A . n 
A 1 220 ILE 220 220 220 ILE ILE A . n 
A 1 221 ALA 221 221 221 ALA ALA A . n 
A 1 222 SER 222 222 222 SER SER A . n 
A 1 223 ASN 223 223 223 ASN ASN A . n 
# 
loop_
_pdbx_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 BEN ? ? BEN ? ? 'SUBJECT OF INVESTIGATION' ? 
2 CA  ? ? CA  ? ? 'SUBJECT OF INVESTIGATION' ? 
3 GOL ? ? GOL ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
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 CA  1   301 224 CA  CA  A . 
C 3 BEN 1   302 225 BEN BEN A . 
D 3 BEN 1   303 301 BEN BEN A . 
E 4 GOL 1   304 1   GOL GOL A . 
F 5 HOH 1   401 118 HOH HOH A . 
F 5 HOH 2   402 225 HOH HOH A . 
F 5 HOH 3   403 264 HOH HOH A . 
F 5 HOH 4   404 117 HOH HOH A . 
F 5 HOH 5   405 275 HOH HOH A . 
F 5 HOH 6   406 297 HOH HOH A . 
F 5 HOH 7   407 178 HOH HOH A . 
F 5 HOH 8   408 255 HOH HOH A . 
F 5 HOH 9   409 95  HOH HOH A . 
F 5 HOH 10  410 306 HOH HOH A . 
F 5 HOH 11  411 144 HOH HOH A . 
F 5 HOH 12  412 26  HOH HOH A . 
F 5 HOH 13  413 123 HOH HOH A . 
F 5 HOH 14  414 278 HOH HOH A . 
F 5 HOH 15  415 284 HOH HOH A . 
F 5 HOH 16  416 64  HOH HOH A . 
F 5 HOH 17  417 241 HOH HOH A . 
F 5 HOH 18  418 103 HOH HOH A . 
F 5 HOH 19  419 163 HOH HOH A . 
F 5 HOH 20  420 181 HOH HOH A . 
F 5 HOH 21  421 54  HOH HOH A . 
F 5 HOH 22  422 130 HOH HOH A . 
F 5 HOH 23  423 43  HOH HOH A . 
F 5 HOH 24  424 105 HOH HOH A . 
F 5 HOH 25  425 233 HOH HOH A . 
F 5 HOH 26  426 27  HOH HOH A . 
F 5 HOH 27  427 90  HOH HOH A . 
F 5 HOH 28  428 247 HOH HOH A . 
F 5 HOH 29  429 33  HOH HOH A . 
F 5 HOH 30  430 234 HOH HOH A . 
F 5 HOH 31  431 196 HOH HOH A . 
F 5 HOH 32  432 147 HOH HOH A . 
F 5 HOH 33  433 66  HOH HOH A . 
F 5 HOH 34  434 206 HOH HOH A . 
F 5 HOH 35  435 146 HOH HOH A . 
F 5 HOH 36  436 201 HOH HOH A . 
F 5 HOH 37  437 293 HOH HOH A . 
F 5 HOH 38  438 230 HOH HOH A . 
F 5 HOH 39  439 140 HOH HOH A . 
F 5 HOH 40  440 195 HOH HOH A . 
F 5 HOH 41  441 189 HOH HOH A . 
F 5 HOH 42  442 153 HOH HOH A . 
F 5 HOH 43  443 124 HOH HOH A . 
F 5 HOH 44  444 161 HOH HOH A . 
F 5 HOH 45  445 260 HOH HOH A . 
F 5 HOH 46  446 274 HOH HOH A . 
F 5 HOH 47  447 9   HOH HOH A . 
F 5 HOH 48  448 177 HOH HOH A . 
F 5 HOH 49  449 155 HOH HOH A . 
F 5 HOH 50  450 81  HOH HOH A . 
F 5 HOH 51  451 71  HOH HOH A . 
F 5 HOH 52  452 148 HOH HOH A . 
F 5 HOH 53  453 138 HOH HOH A . 
F 5 HOH 54  454 61  HOH HOH A . 
F 5 HOH 55  455 171 HOH HOH A . 
F 5 HOH 56  456 231 HOH HOH A . 
F 5 HOH 57  457 235 HOH HOH A . 
F 5 HOH 58  458 109 HOH HOH A . 
F 5 HOH 59  459 47  HOH HOH A . 
F 5 HOH 60  460 84  HOH HOH A . 
F 5 HOH 61  461 272 HOH HOH A . 
F 5 HOH 62  462 97  HOH HOH A . 
F 5 HOH 63  463 202 HOH HOH A . 
F 5 HOH 64  464 38  HOH HOH A . 
F 5 HOH 65  465 167 HOH HOH A . 
F 5 HOH 66  466 13  HOH HOH A . 
F 5 HOH 67  467 30  HOH HOH A . 
F 5 HOH 68  468 134 HOH HOH A . 
F 5 HOH 69  469 6   HOH HOH A . 
F 5 HOH 70  470 14  HOH HOH A . 
F 5 HOH 71  471 58  HOH HOH A . 
F 5 HOH 72  472 277 HOH HOH A . 
F 5 HOH 73  473 113 HOH HOH A . 
F 5 HOH 74  474 8   HOH HOH A . 
F 5 HOH 75  475 4   HOH HOH A . 
F 5 HOH 76  476 240 HOH HOH A . 
F 5 HOH 77  477 16  HOH HOH A . 
F 5 HOH 78  478 223 HOH HOH A . 
F 5 HOH 79  479 80  HOH HOH A . 
F 5 HOH 80  480 270 HOH HOH A . 
F 5 HOH 81  481 69  HOH HOH A . 
F 5 HOH 82  482 127 HOH HOH A . 
F 5 HOH 83  483 194 HOH HOH A . 
F 5 HOH 84  484 83  HOH HOH A . 
F 5 HOH 85  485 2   HOH HOH A . 
F 5 HOH 86  486 17  HOH HOH A . 
F 5 HOH 87  487 63  HOH HOH A . 
F 5 HOH 88  488 128 HOH HOH A . 
F 5 HOH 89  489 42  HOH HOH A . 
F 5 HOH 90  490 32  HOH HOH A . 
F 5 HOH 91  491 72  HOH HOH A . 
F 5 HOH 92  492 154 HOH HOH A . 
F 5 HOH 93  493 263 HOH HOH A . 
F 5 HOH 94  494 262 HOH HOH A . 
F 5 HOH 95  495 131 HOH HOH A . 
F 5 HOH 96  496 135 HOH HOH A . 
F 5 HOH 97  497 269 HOH HOH A . 
F 5 HOH 98  498 132 HOH HOH A . 
F 5 HOH 99  499 40  HOH HOH A . 
F 5 HOH 100 500 76  HOH HOH A . 
F 5 HOH 101 501 5   HOH HOH A . 
F 5 HOH 102 502 57  HOH HOH A . 
F 5 HOH 103 503 25  HOH HOH A . 
F 5 HOH 104 504 99  HOH HOH A . 
F 5 HOH 105 505 290 HOH HOH A . 
F 5 HOH 106 506 7   HOH HOH A . 
F 5 HOH 107 507 257 HOH HOH A . 
F 5 HOH 108 508 151 HOH HOH A . 
F 5 HOH 109 509 44  HOH HOH A . 
F 5 HOH 110 510 78  HOH HOH A . 
F 5 HOH 111 511 137 HOH HOH A . 
F 5 HOH 112 512 1   HOH HOH A . 
F 5 HOH 113 513 79  HOH HOH A . 
F 5 HOH 114 514 292 HOH HOH A . 
F 5 HOH 115 515 34  HOH HOH A . 
F 5 HOH 116 516 96  HOH HOH A . 
F 5 HOH 117 517 143 HOH HOH A . 
F 5 HOH 118 518 21  HOH HOH A . 
F 5 HOH 119 519 28  HOH HOH A . 
F 5 HOH 120 520 266 HOH HOH A . 
F 5 HOH 121 521 49  HOH HOH A . 
F 5 HOH 122 522 15  HOH HOH A . 
F 5 HOH 123 523 12  HOH HOH A . 
F 5 HOH 124 524 282 HOH HOH A . 
F 5 HOH 125 525 136 HOH HOH A . 
F 5 HOH 126 526 56  HOH HOH A . 
F 5 HOH 127 527 75  HOH HOH A . 
F 5 HOH 128 528 250 HOH HOH A . 
F 5 HOH 129 529 67  HOH HOH A . 
F 5 HOH 130 530 36  HOH HOH A . 
F 5 HOH 131 531 227 HOH HOH A . 
F 5 HOH 132 532 249 HOH HOH A . 
F 5 HOH 133 533 222 HOH HOH A . 
F 5 HOH 134 534 41  HOH HOH A . 
F 5 HOH 135 535 141 HOH HOH A . 
F 5 HOH 136 536 125 HOH HOH A . 
F 5 HOH 137 537 24  HOH HOH A . 
F 5 HOH 138 538 101 HOH HOH A . 
F 5 HOH 139 539 184 HOH HOH A . 
F 5 HOH 140 540 35  HOH HOH A . 
F 5 HOH 141 541 254 HOH HOH A . 
F 5 HOH 142 542 85  HOH HOH A . 
F 5 HOH 143 543 268 HOH HOH A . 
F 5 HOH 144 544 91  HOH HOH A . 
F 5 HOH 145 545 22  HOH HOH A . 
F 5 HOH 146 546 46  HOH HOH A . 
F 5 HOH 147 547 110 HOH HOH A . 
F 5 HOH 148 548 45  HOH HOH A . 
F 5 HOH 149 549 65  HOH HOH A . 
F 5 HOH 150 550 102 HOH HOH A . 
F 5 HOH 151 551 19  HOH HOH A . 
F 5 HOH 152 552 48  HOH HOH A . 
F 5 HOH 153 553 229 HOH HOH A . 
F 5 HOH 154 554 31  HOH HOH A . 
F 5 HOH 155 555 142 HOH HOH A . 
F 5 HOH 156 556 51  HOH HOH A . 
F 5 HOH 157 557 226 HOH HOH A . 
F 5 HOH 158 558 73  HOH HOH A . 
F 5 HOH 159 559 87  HOH HOH A . 
F 5 HOH 160 560 162 HOH HOH A . 
F 5 HOH 161 561 89  HOH HOH A . 
F 5 HOH 162 562 210 HOH HOH A . 
F 5 HOH 163 563 23  HOH HOH A . 
F 5 HOH 164 564 119 HOH HOH A . 
F 5 HOH 165 565 267 HOH HOH A . 
F 5 HOH 166 566 86  HOH HOH A . 
F 5 HOH 167 567 185 HOH HOH A . 
F 5 HOH 168 568 82  HOH HOH A . 
F 5 HOH 169 569 104 HOH HOH A . 
F 5 HOH 170 570 271 HOH HOH A . 
F 5 HOH 171 571 18  HOH HOH A . 
F 5 HOH 172 572 121 HOH HOH A . 
F 5 HOH 173 573 204 HOH HOH A . 
F 5 HOH 174 574 11  HOH HOH A . 
F 5 HOH 175 575 108 HOH HOH A . 
F 5 HOH 176 576 114 HOH HOH A . 
F 5 HOH 177 577 169 HOH HOH A . 
F 5 HOH 178 578 244 HOH HOH A . 
F 5 HOH 179 579 248 HOH HOH A . 
F 5 HOH 180 580 68  HOH HOH A . 
F 5 HOH 181 581 239 HOH HOH A . 
F 5 HOH 182 582 20  HOH HOH A . 
F 5 HOH 183 583 149 HOH HOH A . 
F 5 HOH 184 584 37  HOH HOH A . 
F 5 HOH 185 585 190 HOH HOH A . 
F 5 HOH 186 586 191 HOH HOH A . 
F 5 HOH 187 587 199 HOH HOH A . 
F 5 HOH 188 588 188 HOH HOH A . 
F 5 HOH 189 589 126 HOH HOH A . 
F 5 HOH 190 590 232 HOH HOH A . 
F 5 HOH 191 591 168 HOH HOH A . 
F 5 HOH 192 592 116 HOH HOH A . 
F 5 HOH 193 593 77  HOH HOH A . 
F 5 HOH 194 594 197 HOH HOH A . 
F 5 HOH 195 595 251 HOH HOH A . 
F 5 HOH 196 596 186 HOH HOH A . 
F 5 HOH 197 597 98  HOH HOH A . 
F 5 HOH 198 598 236 HOH HOH A . 
F 5 HOH 199 599 62  HOH HOH A . 
F 5 HOH 200 600 10  HOH HOH A . 
F 5 HOH 201 601 170 HOH HOH A . 
F 5 HOH 202 602 52  HOH HOH A . 
F 5 HOH 203 603 120 HOH HOH A . 
F 5 HOH 204 604 111 HOH HOH A . 
F 5 HOH 205 605 245 HOH HOH A . 
F 5 HOH 206 606 150 HOH HOH A . 
F 5 HOH 207 607 55  HOH HOH A . 
F 5 HOH 208 608 298 HOH HOH A . 
F 5 HOH 209 609 238 HOH HOH A . 
F 5 HOH 210 610 107 HOH HOH A . 
F 5 HOH 211 611 228 HOH HOH A . 
F 5 HOH 212 612 93  HOH HOH A . 
F 5 HOH 213 613 88  HOH HOH A . 
F 5 HOH 214 614 115 HOH HOH A . 
F 5 HOH 215 615 252 HOH HOH A . 
F 5 HOH 216 616 289 HOH HOH A . 
F 5 HOH 217 617 224 HOH HOH A . 
F 5 HOH 218 618 237 HOH HOH A . 
F 5 HOH 219 619 145 HOH HOH A . 
F 5 HOH 220 620 174 HOH HOH A . 
F 5 HOH 221 621 3   HOH HOH A . 
F 5 HOH 222 622 180 HOH HOH A . 
F 5 HOH 223 623 50  HOH HOH A . 
F 5 HOH 224 624 106 HOH HOH A . 
F 5 HOH 225 625 39  HOH HOH A . 
F 5 HOH 226 626 286 HOH HOH A . 
F 5 HOH 227 627 203 HOH HOH A . 
F 5 HOH 228 628 288 HOH HOH A . 
F 5 HOH 229 629 158 HOH HOH A . 
F 5 HOH 230 630 133 HOH HOH A . 
F 5 HOH 231 631 253 HOH HOH A . 
F 5 HOH 232 632 281 HOH HOH A . 
F 5 HOH 233 633 29  HOH HOH A . 
F 5 HOH 234 634 276 HOH HOH A . 
F 5 HOH 235 635 299 HOH HOH A . 
F 5 HOH 236 636 129 HOH HOH A . 
F 5 HOH 237 637 139 HOH HOH A . 
F 5 HOH 238 638 165 HOH HOH A . 
F 5 HOH 239 639 182 HOH HOH A . 
F 5 HOH 240 640 256 HOH HOH A . 
F 5 HOH 241 641 179 HOH HOH A . 
F 5 HOH 242 642 303 HOH HOH A . 
F 5 HOH 243 643 283 HOH HOH A . 
F 5 HOH 244 644 285 HOH HOH A . 
F 5 HOH 245 645 259 HOH HOH A . 
F 5 HOH 246 646 200 HOH HOH A . 
F 5 HOH 247 647 159 HOH HOH A . 
F 5 HOH 248 648 280 HOH HOH A . 
F 5 HOH 249 649 217 HOH HOH A . 
F 5 HOH 250 650 246 HOH HOH A . 
F 5 HOH 251 651 160 HOH HOH A . 
F 5 HOH 252 652 243 HOH HOH A . 
F 5 HOH 253 653 112 HOH HOH A . 
F 5 HOH 254 654 74  HOH HOH A . 
F 5 HOH 255 655 59  HOH HOH A . 
F 5 HOH 256 656 313 HOH HOH A . 
F 5 HOH 257 657 261 HOH HOH A . 
F 5 HOH 258 658 192 HOH HOH A . 
F 5 HOH 259 659 312 HOH HOH A . 
F 5 HOH 260 660 209 HOH HOH A . 
F 5 HOH 261 661 166 HOH HOH A . 
F 5 HOH 262 662 214 HOH HOH A . 
F 5 HOH 263 663 100 HOH HOH A . 
F 5 HOH 264 664 221 HOH HOH A . 
F 5 HOH 265 665 300 HOH HOH A . 
F 5 HOH 266 666 265 HOH HOH A . 
F 5 HOH 267 667 220 HOH HOH A . 
F 5 HOH 268 668 157 HOH HOH A . 
F 5 HOH 269 669 305 HOH HOH A . 
F 5 HOH 270 670 213 HOH HOH A . 
F 5 HOH 271 671 183 HOH HOH A . 
F 5 HOH 272 672 279 HOH HOH A . 
F 5 HOH 273 673 122 HOH HOH A . 
F 5 HOH 274 674 304 HOH HOH A . 
F 5 HOH 275 675 212 HOH HOH A . 
F 5 HOH 276 676 218 HOH HOH A . 
F 5 HOH 277 677 309 HOH HOH A . 
F 5 HOH 278 678 176 HOH HOH A . 
F 5 HOH 279 679 207 HOH HOH A . 
F 5 HOH 280 680 295 HOH HOH A . 
F 5 HOH 281 681 172 HOH HOH A . 
F 5 HOH 282 682 296 HOH HOH A . 
F 5 HOH 283 683 187 HOH HOH A . 
F 5 HOH 284 684 216 HOH HOH A . 
F 5 HOH 285 685 302 HOH HOH A . 
F 5 HOH 286 686 310 HOH HOH A . 
F 5 HOH 287 687 205 HOH HOH A . 
F 5 HOH 288 688 164 HOH HOH A . 
F 5 HOH 289 689 291 HOH HOH A . 
F 5 HOH 290 690 242 HOH HOH A . 
F 5 HOH 291 691 175 HOH HOH A . 
F 5 HOH 292 692 152 HOH HOH A . 
F 5 HOH 293 693 308 HOH HOH A . 
F 5 HOH 294 694 307 HOH HOH A . 
F 5 HOH 295 695 60  HOH HOH A . 
F 5 HOH 296 696 94  HOH HOH A . 
F 5 HOH 297 697 273 HOH HOH A . 
F 5 HOH 298 698 311 HOH HOH A . 
F 5 HOH 299 699 294 HOH HOH A . 
F 5 HOH 300 700 92  HOH HOH A . 
F 5 HOH 301 701 301 HOH HOH A . 
F 5 HOH 302 702 215 HOH HOH A . 
F 5 HOH 303 703 173 HOH HOH A . 
F 5 HOH 304 704 193 HOH HOH A . 
F 5 HOH 305 705 258 HOH HOH A . 
F 5 HOH 306 706 208 HOH HOH A . 
F 5 HOH 307 707 70  HOH HOH A . 
F 5 HOH 308 708 211 HOH HOH A . 
F 5 HOH 309 709 53  HOH HOH A . 
F 5 HOH 310 710 287 HOH HOH A . 
F 5 HOH 311 711 219 HOH HOH A . 
F 5 HOH 312 712 198 HOH HOH A . 
F 5 HOH 313 713 156 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 ? ? ? 5.8.0352 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? SAINT  ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? SCALA  ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9AW8 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     53.658 
_cell.length_a_esd                 ? 
_cell.length_b                     57.150 
_cell.length_b_esd                 ? 
_cell.length_c                     64.795 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_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                         9AW8 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_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                   9AW8 
_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             2.13 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          42.25 
_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 Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     150 
_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                     CMOS 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'BRUKER PHOTON 100' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-11-03 
_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             LAUE 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.54184 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'BRUKER TURBO X-RAY SOURCE' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.54184 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9AW8 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.496 
_reflns.d_resolution_low                               22.751 
_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                                     32548 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.16 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                10 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          15.54 
_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                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.877 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.5 
_reflns_shell.d_res_low                                     22.75 
_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                             1590 
_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                               ? 
_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                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.877 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -0.004 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.009 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            0.013 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               12.505 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.966 
_refine.correlation_coeff_Fo_to_Fc_free          0.948 
_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                                 9AW8 
_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                            1.496 
_refine.ls_d_res_low                             22.751 
_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                     32548 
_refine.ls_number_reflns_R_free                  1590 
_refine.ls_number_reflns_R_work                  30958 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.162 
_refine.ls_percent_reflns_R_free                 4.885 
_refine.ls_R_factor_all                          0.178 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2136 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1766 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.079 
_refine.pdbx_overall_ESU_R_Free                  0.082 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             1.626 
_refine.overall_SU_ML                            0.058 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1629 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         25 
_refine_hist.number_atoms_solvent             313 
_refine_hist.number_atoms_total               1967 
_refine_hist.d_res_high                       1.496 
_refine_hist.d_res_low                        22.751 
# 
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  0.011  1689 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1496 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.618  1.620  2291 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.568  1.553  3504 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.319  5.000  222  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.413 10.000 2    ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 1.491  5.000  2    ? r_dihedral_angle_other_2_deg   ? ? 
'X-RAY DIFFRACTION' ? 12.925 10.000 269  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 17.762 10.000 58   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.081  0.200  255  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.011  0.020  1909 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  315  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.202  0.200  296  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.196  0.200  1408 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.173  0.200  856  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.083  0.200  940  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.176  0.200  221  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.048  0.200  2    ? r_symmetry_xyhbond_nbd_other   ? ? 
'X-RAY DIFFRACTION' ? 0.148  0.200  4    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.195  0.200  16   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.220  0.200  51   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.260  0.200  24   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.411  1.268  891  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.411  1.267  891  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.146  1.904  1112 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.146  1.905  1113 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.192  1.442  798  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.192  1.445  799  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.162  2.066  1179 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.161  2.068  1180 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.018  26.660 2046 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.017  26.669 2047 ? 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' 1.496 1.535  2370 . 108 2155 95.4852 . 0.288 . . 0.289 . . . . . 0.255 . 20 . 0.938 0.932 0.273 
'X-RAY DIFFRACTION' 1.535 1.577  2338 . 116 2208 99.4012 . 0.258 . . 0.255 . . . . . 0.224 . 20 . 0.950 0.923 0.324 
'X-RAY DIFFRACTION' 1.577 1.622  2248 . 111 2121 99.2883 . 0.228 . . 0.227 . . . . . 0.193 . 20 . 0.964 0.962 0.248 
'X-RAY DIFFRACTION' 1.622 1.672  2181 . 91  2084 99.7249 . 0.229 . . 0.227 . . . . . 0.193 . 20 . 0.965 0.951 0.268 
'X-RAY DIFFRACTION' 1.672 1.726  2147 . 83  2059 99.7671 . 0.217 . . 0.215 . . . . . 0.179 . 20 . 0.969 0.948 0.282 
'X-RAY DIFFRACTION' 1.726 1.787  2067 . 91  1965 99.4678 . 0.194 . . 0.193 . . . . . 0.159 . 20 . 0.976 0.962 0.235 
'X-RAY DIFFRACTION' 1.787 1.854  1989 . 91  1892 99.6983 . 0.187 . . 0.186 . . . . . 0.152 . 20 . 0.977 0.970 0.222 
'X-RAY DIFFRACTION' 1.854 1.929  1923 . 111 1799 99.3240 . 0.210 . . 0.207 . . . . . 0.173 . 20 . 0.971 0.938 0.248 
'X-RAY DIFFRACTION' 1.929 2.014  1843 . 102 1735 99.6744 . 0.200 . . 0.197 . . . . . 0.166 . 20 . 0.976 0.959 0.248 
'X-RAY DIFFRACTION' 2.014 2.111  1774 . 103 1655 99.0981 . 0.183 . . 0.181 . . . . . 0.152 . 20 . 0.980 0.975 0.213 
'X-RAY DIFFRACTION' 2.111 2.224  1699 . 87  1602 99.4114 . 0.169 . . 0.166 . . . . . 0.142 . 20 . 0.984 0.968 0.236 
'X-RAY DIFFRACTION' 2.224 2.358  1587 . 56  1522 99.4329 . 0.163 . . 0.163 . . . . . 0.141 . 20 . 0.984 0.979 0.178 
'X-RAY DIFFRACTION' 2.358 2.519  1522 . 87  1426 99.4087 . 0.172 . . 0.166 . . . . . 0.146 . 20 . 0.983 0.960 0.270 
'X-RAY DIFFRACTION' 2.519 2.718  1425 . 61  1360 99.7193 . 0.164 . . 0.163 . . . . . 0.144 . 20 . 0.984 0.979 0.191 
'X-RAY DIFFRACTION' 2.718 2.973  1303 . 65  1232 99.5395 . 0.153 . . 0.152 . . . . . 0.138 . 20 . 0.986 0.981 0.185 
'X-RAY DIFFRACTION' 2.973 3.317  1196 . 64  1127 99.5819 . 0.154 . . 0.153 . . . . . 0.143 . 20 . 0.986 0.981 0.182 
'X-RAY DIFFRACTION' 3.317 3.817  1079 . 53  1023 99.7220 . 0.154 . . 0.154 . . . . . 0.148 . 20 . 0.986 0.985 0.160 
'X-RAY DIFFRACTION' 3.817 4.642  911  . 42  866  99.6707 . 0.127 . . 0.126 . . . . . 0.132 . 20 . 0.991 0.987 0.161 
'X-RAY DIFFRACTION' 4.642 6.432  736  . 39  696  99.8641 . 0.153 . . 0.152 . . . . . 0.159 . 20 . 0.988 0.986 0.157 
'X-RAY DIFFRACTION' 6.432 22.751 466  . 29  431  98.7124 . 0.175 . . 0.171 . . . . . 0.187 . 20 . 0.981 0.957 0.237 
# 
_struct.entry_id                     9AW8 
_struct.title                        'Crystal structure of trypsin at 150 Kelvin with benzamidine' 
_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        9AW8 
_struct_keywords.text            'Inhibitor, Benzamidine, Complex, x-ray., HYDROLASE' 
_struct_keywords.pdbx_keywords   HYDROLASE 
# 
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 4 ? 
F N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    TRY1_BOVIN 
_struct_ref.pdbx_db_accession          P00760 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNT
LNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNM
FCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
;
_struct_ref.pdbx_align_begin           24 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9AW8 
_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                 223 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00760 
_struct_ref_seq.db_align_beg                  24 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  246 
_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       223 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ALA A 38  ? TYR A 42  ? ALA A 38  TYR A 42  5 ? 5  
HELX_P HELX_P2 AA2 SER A 144 ? TYR A 152 ? SER A 144 TYR A 152 1 ? 9  
HELX_P HELX_P3 AA3 TYR A 212 ? ALA A 221 ? TYR A 212 ALA A 221 1 ? 10 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 7   SG  ? ? ? 1_555 A CYS 137 SG ? ? A CYS 7   A CYS 137 1_555 ? ? ? ? ? ? ? 1.970 ? ? 
disulf2 disulf ? ? A CYS 25  SG  ? ? ? 1_555 A CYS 41  SG ? ? A CYS 25  A CYS 41  1_555 ? ? ? ? ? ? ? 2.057 ? ? 
disulf3 disulf ? ? A CYS 109 SG  ? ? ? 1_555 A CYS 210 SG ? ? A CYS 109 A CYS 210 1_555 ? ? ? ? ? ? ? 2.041 ? ? 
disulf4 disulf ? ? A CYS 116 SG  ? ? ? 1_555 A CYS 183 SG ? ? A CYS 116 A CYS 183 1_555 ? ? ? ? ? ? ? 2.037 ? ? 
disulf5 disulf ? ? A CYS 148 SG  ? ? ? 1_555 A CYS 162 SG ? ? A CYS 148 A CYS 162 1_555 ? ? ? ? ? ? ? 2.039 ? ? 
disulf6 disulf ? ? A CYS 173 SG  ? ? ? 1_555 A CYS 197 SG ? ? A CYS 173 A CYS 197 1_555 ? ? ? ? ? ? ? 2.031 ? ? 
metalc1 metalc ? ? A GLU 52  OE1 ? ? ? 1_555 B CA  .   CA ? ? A GLU 52  A CA  301 1_555 ? ? ? ? ? ? ? 2.226 ? ? 
metalc2 metalc ? ? A ASN 54  O   ? ? ? 1_555 B CA  .   CA ? ? A ASN 54  A CA  301 1_555 ? ? ? ? ? ? ? 2.289 ? ? 
metalc3 metalc ? ? A VAL 57  O   ? ? ? 1_555 B CA  .   CA ? ? A VAL 57  A CA  301 1_555 ? ? ? ? ? ? ? 2.254 ? ? 
metalc4 metalc ? ? A GLU 62  OE2 ? ? ? 1_555 B CA  .   CA ? ? A GLU 62  A CA  301 1_555 ? ? ? ? ? ? ? 2.351 ? ? 
metalc5 metalc ? ? B CA  .   CA  ? ? ? 1_555 F HOH .   O  ? ? A CA  301 A HOH 412 1_555 ? ? ? ? ? ? ? 2.429 ? ? 
metalc6 metalc ? ? B CA  .   CA  ? ? ? 1_555 F HOH .   O  ? ? A CA  301 A HOH 518 1_555 ? ? ? ? ? ? ? 2.421 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A ASN 54 ? A ASN 54  ? 1_555 93.2  ? 
2  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57  ? 1_555 167.1 ? 
3  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57  ? 1_555 80.6  ? 
4  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 100.1 ? 
5  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 159.8 ? 
6  O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 89.1  ? 
7  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? F HOH .  ? A HOH 412 ? 1_555 84.7  ? 
8  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? F HOH .  ? A HOH 412 ? 1_555 90.4  ? 
9  O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? F HOH .  ? A HOH 412 ? 1_555 106.5 ? 
10 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? F HOH .  ? A HOH 412 ? 1_555 76.0  ? 
11 OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? F HOH .  ? A HOH 518 ? 1_555 78.8  ? 
12 O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? F HOH .  ? A HOH 518 ? 1_555 103.0 ? 
13 O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? F HOH .  ? A HOH 518 ? 1_555 91.5  ? 
14 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? F HOH .  ? A HOH 518 ? 1_555 94.5  ? 
15 O   ? F HOH .  ? A HOH 412 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? F HOH .  ? A HOH 518 ? 1_555 159.2 ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 7   ? CYS A 137 ? CYS A 7   ? 1_555 CYS A 137 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 25  ? CYS A 41  ? CYS A 25  ? 1_555 CYS A 41  ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 109 ? CYS A 210 ? CYS A 109 ? 1_555 CYS A 210 ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 116 ? CYS A 183 ? CYS A 116 ? 1_555 CYS A 183 ? 1_555 SG SG . . . None 'Disulfide bridge' 
5 CYS A 148 ? CYS A 162 ? CYS A 148 ? 1_555 CYS A 162 ? 1_555 SG SG . . . None 'Disulfide bridge' 
6 CYS A 173 ? CYS A 197 ? CYS A 173 ? 1_555 CYS A 197 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 7 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA2 6 7 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 TYR A 5   ? THR A 6   ? TYR A 5   THR A 6   
AA1 2 LYS A 136 ? PRO A 141 ? LYS A 136 PRO A 141 
AA1 3 GLN A 115 ? GLY A 120 ? GLN A 115 GLY A 120 
AA1 4 PRO A 180 ? CYS A 183 ? PRO A 180 CYS A 183 
AA1 5 LYS A 186 ? TRP A 193 ? LYS A 186 TRP A 193 
AA1 6 GLY A 204 ? LYS A 208 ? GLY A 204 LYS A 208 
AA1 7 MET A 160 ? ALA A 163 ? MET A 160 ALA A 163 
AA2 1 GLN A 15  ? ASN A 19  ? GLN A 15  ASN A 19  
AA2 2 HIS A 23  ? ASN A 31  ? HIS A 23  ASN A 31  
AA2 3 TRP A 34  ? SER A 37  ? TRP A 34  SER A 37  
AA2 4 MET A 86  ? LEU A 90  ? MET A 86  LEU A 90  
AA2 5 GLN A 63  ? VAL A 72  ? GLN A 63  VAL A 72  
AA2 6 GLN A 47  ? LEU A 50  ? GLN A 47  LEU A 50  
AA2 7 GLN A 15  ? ASN A 19  ? GLN A 15  ASN A 19  
# 
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 TYR A 5   ? N TYR A 5   O CYS A 137 ? O CYS A 137 
AA1 2 3 O ALA A 140 ? O ALA A 140 N CYS A 116 ? N CYS A 116 
AA1 3 4 N LEU A 117 ? N LEU A 117 O VAL A 182 ? O VAL A 182 
AA1 4 5 N CYS A 183 ? N CYS A 183 O LYS A 186 ? O LYS A 186 
AA1 5 6 N TRP A 193 ? N TRP A 193 O VAL A 205 ? O VAL A 205 
AA1 6 7 O TYR A 206 ? O TYR A 206 N PHE A 161 ? N PHE A 161 
AA2 1 2 N LEU A 18  ? N LEU A 18  O CYS A 25  ? O CYS A 25  
AA2 2 3 N ILE A 30  ? N ILE A 30  O TRP A 34  ? O TRP A 34  
AA2 3 4 N SER A 37  ? N SER A 37  O MET A 86  ? O MET A 86  
AA2 4 5 O LEU A 87  ? O LEU A 87  N ILE A 71  ? N ILE A 71  
AA2 5 6 O GLN A 63  ? O GLN A 63  N LEU A 50  ? N LEU A 50  
AA2 6 7 O GLN A 47  ? O GLN A 47  N ASN A 19  ? N ASN A 19  
# 
_pdbx_entry_details.entry_id                   9AW8 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O A HOH 446 ? ? O A HOH 588 ? ? 1.75 
2 1 O A HOH 686 ? ? O A HOH 704 ? ? 2.03 
3 1 O A HOH 634 ? ? O A HOH 667 ? ? 2.06 
4 1 O A HOH 415 ? ? O A HOH 436 ? ? 2.12 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     483 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     539 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   2_455 
_pdbx_validate_symm_contact.dist              1.76 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_1             A 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              99 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CZ 
_pdbx_validate_rmsd_angle.auth_asym_id_2             A 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              99 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NH2 
_pdbx_validate_rmsd_angle.auth_asym_id_3             A 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              99 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                116.35 
_pdbx_validate_rmsd_angle.angle_target_value         120.30 
_pdbx_validate_rmsd_angle.angle_deviation            -3.95 
_pdbx_validate_rmsd_angle.angle_standard_deviation   0.50 
_pdbx_validate_rmsd_angle.linker_flag                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 ASP A 53  ? ? -114.73 -76.35 
2 1 SER A 127 ? ? 58.01   110.62 
# 
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 712 ? 6.02 . 
2 1 O ? A HOH 713 ? 6.58 . 
# 
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  
BEN C1   C  Y N 74  
BEN C2   C  Y N 75  
BEN C3   C  Y N 76  
BEN C4   C  Y N 77  
BEN C5   C  Y N 78  
BEN C6   C  Y N 79  
BEN C    C  N N 80  
BEN N1   N  N N 81  
BEN N2   N  N N 82  
BEN H2   H  N N 83  
BEN H3   H  N N 84  
BEN H4   H  N N 85  
BEN H5   H  N N 86  
BEN H6   H  N N 87  
BEN HN1  H  N N 88  
BEN HN21 H  N N 89  
BEN HN22 H  N N 90  
CA  CA   CA N N 91  
CYS N    N  N N 92  
CYS CA   C  N R 93  
CYS C    C  N N 94  
CYS O    O  N N 95  
CYS CB   C  N N 96  
CYS SG   S  N N 97  
CYS OXT  O  N N 98  
CYS H    H  N N 99  
CYS H2   H  N N 100 
CYS HA   H  N N 101 
CYS HB2  H  N N 102 
CYS HB3  H  N N 103 
CYS HG   H  N N 104 
CYS HXT  H  N N 105 
GLN N    N  N N 106 
GLN CA   C  N S 107 
GLN C    C  N N 108 
GLN O    O  N N 109 
GLN CB   C  N N 110 
GLN CG   C  N N 111 
GLN CD   C  N N 112 
GLN OE1  O  N N 113 
GLN NE2  N  N N 114 
GLN OXT  O  N N 115 
GLN H    H  N N 116 
GLN H2   H  N N 117 
GLN HA   H  N N 118 
GLN HB2  H  N N 119 
GLN HB3  H  N N 120 
GLN HG2  H  N N 121 
GLN HG3  H  N N 122 
GLN HE21 H  N N 123 
GLN HE22 H  N N 124 
GLN HXT  H  N N 125 
GLU N    N  N N 126 
GLU CA   C  N S 127 
GLU C    C  N N 128 
GLU O    O  N N 129 
GLU CB   C  N N 130 
GLU CG   C  N N 131 
GLU CD   C  N N 132 
GLU OE1  O  N N 133 
GLU OE2  O  N N 134 
GLU OXT  O  N N 135 
GLU H    H  N N 136 
GLU H2   H  N N 137 
GLU HA   H  N N 138 
GLU HB2  H  N N 139 
GLU HB3  H  N N 140 
GLU HG2  H  N N 141 
GLU HG3  H  N N 142 
GLU HE2  H  N N 143 
GLU HXT  H  N N 144 
GLY N    N  N N 145 
GLY CA   C  N N 146 
GLY C    C  N N 147 
GLY O    O  N N 148 
GLY OXT  O  N N 149 
GLY H    H  N N 150 
GLY H2   H  N N 151 
GLY HA2  H  N N 152 
GLY HA3  H  N N 153 
GLY HXT  H  N N 154 
GOL C1   C  N N 155 
GOL O1   O  N N 156 
GOL C2   C  N N 157 
GOL O2   O  N N 158 
GOL C3   C  N N 159 
GOL O3   O  N N 160 
GOL H11  H  N N 161 
GOL H12  H  N N 162 
GOL HO1  H  N N 163 
GOL H2   H  N N 164 
GOL HO2  H  N N 165 
GOL H31  H  N N 166 
GOL H32  H  N N 167 
GOL HO3  H  N N 168 
HIS N    N  N N 169 
HIS CA   C  N S 170 
HIS C    C  N N 171 
HIS O    O  N N 172 
HIS CB   C  N N 173 
HIS CG   C  Y N 174 
HIS ND1  N  Y N 175 
HIS CD2  C  Y N 176 
HIS CE1  C  Y N 177 
HIS NE2  N  Y N 178 
HIS OXT  O  N N 179 
HIS H    H  N N 180 
HIS H2   H  N N 181 
HIS HA   H  N N 182 
HIS HB2  H  N N 183 
HIS HB3  H  N N 184 
HIS HD1  H  N N 185 
HIS HD2  H  N N 186 
HIS HE1  H  N N 187 
HIS HE2  H  N N 188 
HIS HXT  H  N N 189 
HOH O    O  N N 190 
HOH H1   H  N N 191 
HOH H2   H  N N 192 
ILE N    N  N N 193 
ILE CA   C  N S 194 
ILE C    C  N N 195 
ILE O    O  N N 196 
ILE CB   C  N S 197 
ILE CG1  C  N N 198 
ILE CG2  C  N N 199 
ILE CD1  C  N N 200 
ILE OXT  O  N N 201 
ILE H    H  N N 202 
ILE H2   H  N N 203 
ILE HA   H  N N 204 
ILE HB   H  N N 205 
ILE HG12 H  N N 206 
ILE HG13 H  N N 207 
ILE HG21 H  N N 208 
ILE HG22 H  N N 209 
ILE HG23 H  N N 210 
ILE HD11 H  N N 211 
ILE HD12 H  N N 212 
ILE HD13 H  N N 213 
ILE HXT  H  N N 214 
LEU N    N  N N 215 
LEU CA   C  N S 216 
LEU C    C  N N 217 
LEU O    O  N N 218 
LEU CB   C  N N 219 
LEU CG   C  N N 220 
LEU CD1  C  N N 221 
LEU CD2  C  N N 222 
LEU OXT  O  N N 223 
LEU H    H  N N 224 
LEU H2   H  N N 225 
LEU HA   H  N N 226 
LEU HB2  H  N N 227 
LEU HB3  H  N N 228 
LEU HG   H  N N 229 
LEU HD11 H  N N 230 
LEU HD12 H  N N 231 
LEU HD13 H  N N 232 
LEU HD21 H  N N 233 
LEU HD22 H  N N 234 
LEU HD23 H  N N 235 
LEU HXT  H  N N 236 
LYS N    N  N N 237 
LYS CA   C  N S 238 
LYS C    C  N N 239 
LYS O    O  N N 240 
LYS CB   C  N N 241 
LYS CG   C  N N 242 
LYS CD   C  N N 243 
LYS CE   C  N N 244 
LYS NZ   N  N N 245 
LYS OXT  O  N N 246 
LYS H    H  N N 247 
LYS H2   H  N N 248 
LYS HA   H  N N 249 
LYS HB2  H  N N 250 
LYS HB3  H  N N 251 
LYS HG2  H  N N 252 
LYS HG3  H  N N 253 
LYS HD2  H  N N 254 
LYS HD3  H  N N 255 
LYS HE2  H  N N 256 
LYS HE3  H  N N 257 
LYS HZ1  H  N N 258 
LYS HZ2  H  N N 259 
LYS HZ3  H  N N 260 
LYS HXT  H  N N 261 
MET N    N  N N 262 
MET CA   C  N S 263 
MET C    C  N N 264 
MET O    O  N N 265 
MET CB   C  N N 266 
MET CG   C  N N 267 
MET SD   S  N N 268 
MET CE   C  N N 269 
MET OXT  O  N N 270 
MET H    H  N N 271 
MET H2   H  N N 272 
MET HA   H  N N 273 
MET HB2  H  N N 274 
MET HB3  H  N N 275 
MET HG2  H  N N 276 
MET HG3  H  N N 277 
MET HE1  H  N N 278 
MET HE2  H  N N 279 
MET HE3  H  N N 280 
MET HXT  H  N N 281 
PHE N    N  N N 282 
PHE CA   C  N S 283 
PHE C    C  N N 284 
PHE O    O  N N 285 
PHE CB   C  N N 286 
PHE CG   C  Y N 287 
PHE CD1  C  Y N 288 
PHE CD2  C  Y N 289 
PHE CE1  C  Y N 290 
PHE CE2  C  Y N 291 
PHE CZ   C  Y N 292 
PHE OXT  O  N N 293 
PHE H    H  N N 294 
PHE H2   H  N N 295 
PHE HA   H  N N 296 
PHE HB2  H  N N 297 
PHE HB3  H  N N 298 
PHE HD1  H  N N 299 
PHE HD2  H  N N 300 
PHE HE1  H  N N 301 
PHE HE2  H  N N 302 
PHE HZ   H  N N 303 
PHE HXT  H  N N 304 
PRO N    N  N N 305 
PRO CA   C  N S 306 
PRO C    C  N N 307 
PRO O    O  N N 308 
PRO CB   C  N N 309 
PRO CG   C  N N 310 
PRO CD   C  N N 311 
PRO OXT  O  N N 312 
PRO H    H  N N 313 
PRO HA   H  N N 314 
PRO HB2  H  N N 315 
PRO HB3  H  N N 316 
PRO HG2  H  N N 317 
PRO HG3  H  N N 318 
PRO HD2  H  N N 319 
PRO HD3  H  N N 320 
PRO HXT  H  N N 321 
SER N    N  N N 322 
SER CA   C  N S 323 
SER C    C  N N 324 
SER O    O  N N 325 
SER CB   C  N N 326 
SER OG   O  N N 327 
SER OXT  O  N N 328 
SER H    H  N N 329 
SER H2   H  N N 330 
SER HA   H  N N 331 
SER HB2  H  N N 332 
SER HB3  H  N N 333 
SER HG   H  N N 334 
SER HXT  H  N N 335 
THR N    N  N N 336 
THR CA   C  N S 337 
THR C    C  N N 338 
THR O    O  N N 339 
THR CB   C  N R 340 
THR OG1  O  N N 341 
THR CG2  C  N N 342 
THR OXT  O  N N 343 
THR H    H  N N 344 
THR H2   H  N N 345 
THR HA   H  N N 346 
THR HB   H  N N 347 
THR HG1  H  N N 348 
THR HG21 H  N N 349 
THR HG22 H  N N 350 
THR HG23 H  N N 351 
THR HXT  H  N N 352 
TRP N    N  N N 353 
TRP CA   C  N S 354 
TRP C    C  N N 355 
TRP O    O  N N 356 
TRP CB   C  N N 357 
TRP CG   C  Y N 358 
TRP CD1  C  Y N 359 
TRP CD2  C  Y N 360 
TRP NE1  N  Y N 361 
TRP CE2  C  Y N 362 
TRP CE3  C  Y N 363 
TRP CZ2  C  Y N 364 
TRP CZ3  C  Y N 365 
TRP CH2  C  Y N 366 
TRP OXT  O  N N 367 
TRP H    H  N N 368 
TRP H2   H  N N 369 
TRP HA   H  N N 370 
TRP HB2  H  N N 371 
TRP HB3  H  N N 372 
TRP HD1  H  N N 373 
TRP HE1  H  N N 374 
TRP HE3  H  N N 375 
TRP HZ2  H  N N 376 
TRP HZ3  H  N N 377 
TRP HH2  H  N N 378 
TRP HXT  H  N N 379 
TYR N    N  N N 380 
TYR CA   C  N S 381 
TYR C    C  N N 382 
TYR O    O  N N 383 
TYR CB   C  N N 384 
TYR CG   C  Y N 385 
TYR CD1  C  Y N 386 
TYR CD2  C  Y N 387 
TYR CE1  C  Y N 388 
TYR CE2  C  Y N 389 
TYR CZ   C  Y N 390 
TYR OH   O  N N 391 
TYR OXT  O  N N 392 
TYR H    H  N N 393 
TYR H2   H  N N 394 
TYR HA   H  N N 395 
TYR HB2  H  N N 396 
TYR HB3  H  N N 397 
TYR HD1  H  N N 398 
TYR HD2  H  N N 399 
TYR HE1  H  N N 400 
TYR HE2  H  N N 401 
TYR HH   H  N N 402 
TYR HXT  H  N N 403 
VAL N    N  N N 404 
VAL CA   C  N S 405 
VAL C    C  N N 406 
VAL O    O  N N 407 
VAL CB   C  N N 408 
VAL CG1  C  N N 409 
VAL CG2  C  N N 410 
VAL OXT  O  N N 411 
VAL H    H  N N 412 
VAL H2   H  N N 413 
VAL HA   H  N N 414 
VAL HB   H  N N 415 
VAL HG11 H  N N 416 
VAL HG12 H  N N 417 
VAL HG13 H  N N 418 
VAL HG21 H  N N 419 
VAL HG22 H  N N 420 
VAL HG23 H  N N 421 
VAL HXT  H  N N 422 
# 
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  
BEN C1  C2   doub Y N 70  
BEN C1  C6   sing Y N 71  
BEN C1  C    sing N N 72  
BEN C2  C3   sing Y N 73  
BEN C2  H2   sing N N 74  
BEN C3  C4   doub Y N 75  
BEN C3  H3   sing N N 76  
BEN C4  C5   sing Y N 77  
BEN C4  H4   sing N N 78  
BEN C5  C6   doub Y N 79  
BEN C5  H5   sing N N 80  
BEN C6  H6   sing N N 81  
BEN C   N1   doub N E 82  
BEN C   N2   sing N N 83  
BEN N1  HN1  sing N N 84  
BEN N2  HN21 sing N N 85  
BEN N2  HN22 sing N N 86  
CYS N   CA   sing N N 87  
CYS N   H    sing N N 88  
CYS N   H2   sing N N 89  
CYS CA  C    sing N N 90  
CYS CA  CB   sing N N 91  
CYS CA  HA   sing N N 92  
CYS C   O    doub N N 93  
CYS C   OXT  sing N N 94  
CYS CB  SG   sing N N 95  
CYS CB  HB2  sing N N 96  
CYS CB  HB3  sing N N 97  
CYS SG  HG   sing N N 98  
CYS OXT HXT  sing N N 99  
GLN N   CA   sing N N 100 
GLN N   H    sing N N 101 
GLN N   H2   sing N N 102 
GLN CA  C    sing N N 103 
GLN CA  CB   sing N N 104 
GLN CA  HA   sing N N 105 
GLN C   O    doub N N 106 
GLN C   OXT  sing N N 107 
GLN CB  CG   sing N N 108 
GLN CB  HB2  sing N N 109 
GLN CB  HB3  sing N N 110 
GLN CG  CD   sing N N 111 
GLN CG  HG2  sing N N 112 
GLN CG  HG3  sing N N 113 
GLN CD  OE1  doub N N 114 
GLN CD  NE2  sing N N 115 
GLN NE2 HE21 sing N N 116 
GLN NE2 HE22 sing N N 117 
GLN OXT HXT  sing N N 118 
GLU N   CA   sing N N 119 
GLU N   H    sing N N 120 
GLU N   H2   sing N N 121 
GLU CA  C    sing N N 122 
GLU CA  CB   sing N N 123 
GLU CA  HA   sing N N 124 
GLU C   O    doub N N 125 
GLU C   OXT  sing N N 126 
GLU CB  CG   sing N N 127 
GLU CB  HB2  sing N N 128 
GLU CB  HB3  sing N N 129 
GLU CG  CD   sing N N 130 
GLU CG  HG2  sing N N 131 
GLU CG  HG3  sing N N 132 
GLU CD  OE1  doub N N 133 
GLU CD  OE2  sing N N 134 
GLU OE2 HE2  sing N N 135 
GLU OXT HXT  sing N N 136 
GLY N   CA   sing N N 137 
GLY N   H    sing N N 138 
GLY N   H2   sing N N 139 
GLY CA  C    sing N N 140 
GLY CA  HA2  sing N N 141 
GLY CA  HA3  sing N N 142 
GLY C   O    doub N N 143 
GLY C   OXT  sing N N 144 
GLY OXT HXT  sing N N 145 
GOL C1  O1   sing N N 146 
GOL C1  C2   sing N N 147 
GOL C1  H11  sing N N 148 
GOL C1  H12  sing N N 149 
GOL O1  HO1  sing N N 150 
GOL C2  O2   sing N N 151 
GOL C2  C3   sing N N 152 
GOL C2  H2   sing N N 153 
GOL O2  HO2  sing N N 154 
GOL C3  O3   sing N N 155 
GOL C3  H31  sing N N 156 
GOL C3  H32  sing N N 157 
GOL O3  HO3  sing N N 158 
HIS N   CA   sing N N 159 
HIS N   H    sing N N 160 
HIS N   H2   sing N N 161 
HIS CA  C    sing N N 162 
HIS CA  CB   sing N N 163 
HIS CA  HA   sing N N 164 
HIS C   O    doub N N 165 
HIS C   OXT  sing N N 166 
HIS CB  CG   sing N N 167 
HIS CB  HB2  sing N N 168 
HIS CB  HB3  sing N N 169 
HIS CG  ND1  sing Y N 170 
HIS CG  CD2  doub Y N 171 
HIS ND1 CE1  doub Y N 172 
HIS ND1 HD1  sing N N 173 
HIS CD2 NE2  sing Y N 174 
HIS CD2 HD2  sing N N 175 
HIS CE1 NE2  sing Y N 176 
HIS CE1 HE1  sing N N 177 
HIS NE2 HE2  sing N N 178 
HIS OXT HXT  sing N N 179 
HOH O   H1   sing N N 180 
HOH O   H2   sing N N 181 
ILE N   CA   sing N N 182 
ILE N   H    sing N N 183 
ILE N   H2   sing N N 184 
ILE CA  C    sing N N 185 
ILE CA  CB   sing N N 186 
ILE CA  HA   sing N N 187 
ILE C   O    doub N N 188 
ILE C   OXT  sing N N 189 
ILE CB  CG1  sing N N 190 
ILE CB  CG2  sing N N 191 
ILE CB  HB   sing N N 192 
ILE CG1 CD1  sing N N 193 
ILE CG1 HG12 sing N N 194 
ILE CG1 HG13 sing N N 195 
ILE CG2 HG21 sing N N 196 
ILE CG2 HG22 sing N N 197 
ILE CG2 HG23 sing N N 198 
ILE CD1 HD11 sing N N 199 
ILE CD1 HD12 sing N N 200 
ILE CD1 HD13 sing N N 201 
ILE OXT HXT  sing N N 202 
LEU N   CA   sing N N 203 
LEU N   H    sing N N 204 
LEU N   H2   sing N N 205 
LEU CA  C    sing N N 206 
LEU CA  CB   sing N N 207 
LEU CA  HA   sing N N 208 
LEU C   O    doub N N 209 
LEU C   OXT  sing N N 210 
LEU CB  CG   sing N N 211 
LEU CB  HB2  sing N N 212 
LEU CB  HB3  sing N N 213 
LEU CG  CD1  sing N N 214 
LEU CG  CD2  sing N N 215 
LEU CG  HG   sing N N 216 
LEU CD1 HD11 sing N N 217 
LEU CD1 HD12 sing N N 218 
LEU CD1 HD13 sing N N 219 
LEU CD2 HD21 sing N N 220 
LEU CD2 HD22 sing N N 221 
LEU CD2 HD23 sing N N 222 
LEU OXT HXT  sing N N 223 
LYS N   CA   sing N N 224 
LYS N   H    sing N N 225 
LYS N   H2   sing N N 226 
LYS CA  C    sing N N 227 
LYS CA  CB   sing N N 228 
LYS CA  HA   sing N N 229 
LYS C   O    doub N N 230 
LYS C   OXT  sing N N 231 
LYS CB  CG   sing N N 232 
LYS CB  HB2  sing N N 233 
LYS CB  HB3  sing N N 234 
LYS CG  CD   sing N N 235 
LYS CG  HG2  sing N N 236 
LYS CG  HG3  sing N N 237 
LYS CD  CE   sing N N 238 
LYS CD  HD2  sing N N 239 
LYS CD  HD3  sing N N 240 
LYS CE  NZ   sing N N 241 
LYS CE  HE2  sing N N 242 
LYS CE  HE3  sing N N 243 
LYS NZ  HZ1  sing N N 244 
LYS NZ  HZ2  sing N N 245 
LYS NZ  HZ3  sing N N 246 
LYS OXT HXT  sing N N 247 
MET N   CA   sing N N 248 
MET N   H    sing N N 249 
MET N   H2   sing N N 250 
MET CA  C    sing N N 251 
MET CA  CB   sing N N 252 
MET CA  HA   sing N N 253 
MET C   O    doub N N 254 
MET C   OXT  sing N N 255 
MET CB  CG   sing N N 256 
MET CB  HB2  sing N N 257 
MET CB  HB3  sing N N 258 
MET CG  SD   sing N N 259 
MET CG  HG2  sing N N 260 
MET CG  HG3  sing N N 261 
MET SD  CE   sing N N 262 
MET CE  HE1  sing N N 263 
MET CE  HE2  sing N N 264 
MET CE  HE3  sing N N 265 
MET OXT HXT  sing N N 266 
PHE N   CA   sing N N 267 
PHE N   H    sing N N 268 
PHE N   H2   sing N N 269 
PHE CA  C    sing N N 270 
PHE CA  CB   sing N N 271 
PHE CA  HA   sing N N 272 
PHE C   O    doub N N 273 
PHE C   OXT  sing N N 274 
PHE CB  CG   sing N N 275 
PHE CB  HB2  sing N N 276 
PHE CB  HB3  sing N N 277 
PHE CG  CD1  doub Y N 278 
PHE CG  CD2  sing Y N 279 
PHE CD1 CE1  sing Y N 280 
PHE CD1 HD1  sing N N 281 
PHE CD2 CE2  doub Y N 282 
PHE CD2 HD2  sing N N 283 
PHE CE1 CZ   doub Y N 284 
PHE CE1 HE1  sing N N 285 
PHE CE2 CZ   sing Y N 286 
PHE CE2 HE2  sing N N 287 
PHE CZ  HZ   sing N N 288 
PHE OXT HXT  sing N N 289 
PRO N   CA   sing N N 290 
PRO N   CD   sing N N 291 
PRO N   H    sing N N 292 
PRO CA  C    sing N N 293 
PRO CA  CB   sing N N 294 
PRO CA  HA   sing N N 295 
PRO C   O    doub N N 296 
PRO C   OXT  sing N N 297 
PRO CB  CG   sing N N 298 
PRO CB  HB2  sing N N 299 
PRO CB  HB3  sing N N 300 
PRO CG  CD   sing N N 301 
PRO CG  HG2  sing N N 302 
PRO CG  HG3  sing N N 303 
PRO CD  HD2  sing N N 304 
PRO CD  HD3  sing N N 305 
PRO OXT HXT  sing N N 306 
SER N   CA   sing N N 307 
SER N   H    sing N N 308 
SER N   H2   sing N N 309 
SER CA  C    sing N N 310 
SER CA  CB   sing N N 311 
SER CA  HA   sing N N 312 
SER C   O    doub N N 313 
SER C   OXT  sing N N 314 
SER CB  OG   sing N N 315 
SER CB  HB2  sing N N 316 
SER CB  HB3  sing N N 317 
SER OG  HG   sing N N 318 
SER OXT HXT  sing N N 319 
THR N   CA   sing N N 320 
THR N   H    sing N N 321 
THR N   H2   sing N N 322 
THR CA  C    sing N N 323 
THR CA  CB   sing N N 324 
THR CA  HA   sing N N 325 
THR C   O    doub N N 326 
THR C   OXT  sing N N 327 
THR CB  OG1  sing N N 328 
THR CB  CG2  sing N N 329 
THR CB  HB   sing N N 330 
THR OG1 HG1  sing N N 331 
THR CG2 HG21 sing N N 332 
THR CG2 HG22 sing N N 333 
THR CG2 HG23 sing N N 334 
THR OXT HXT  sing N N 335 
TRP N   CA   sing N N 336 
TRP N   H    sing N N 337 
TRP N   H2   sing N N 338 
TRP CA  C    sing N N 339 
TRP CA  CB   sing N N 340 
TRP CA  HA   sing N N 341 
TRP C   O    doub N N 342 
TRP C   OXT  sing N N 343 
TRP CB  CG   sing N N 344 
TRP CB  HB2  sing N N 345 
TRP CB  HB3  sing N N 346 
TRP CG  CD1  doub Y N 347 
TRP CG  CD2  sing Y N 348 
TRP CD1 NE1  sing Y N 349 
TRP CD1 HD1  sing N N 350 
TRP CD2 CE2  doub Y N 351 
TRP CD2 CE3  sing Y N 352 
TRP NE1 CE2  sing Y N 353 
TRP NE1 HE1  sing N N 354 
TRP CE2 CZ2  sing Y N 355 
TRP CE3 CZ3  doub Y N 356 
TRP CE3 HE3  sing N N 357 
TRP CZ2 CH2  doub Y N 358 
TRP CZ2 HZ2  sing N N 359 
TRP CZ3 CH2  sing Y N 360 
TRP CZ3 HZ3  sing N N 361 
TRP CH2 HH2  sing N N 362 
TRP OXT HXT  sing N N 363 
TYR N   CA   sing N N 364 
TYR N   H    sing N N 365 
TYR N   H2   sing N N 366 
TYR CA  C    sing N N 367 
TYR CA  CB   sing N N 368 
TYR CA  HA   sing N N 369 
TYR C   O    doub N N 370 
TYR C   OXT  sing N N 371 
TYR CB  CG   sing N N 372 
TYR CB  HB2  sing N N 373 
TYR CB  HB3  sing N N 374 
TYR CG  CD1  doub Y N 375 
TYR CG  CD2  sing Y N 376 
TYR CD1 CE1  sing Y N 377 
TYR CD1 HD1  sing N N 378 
TYR CD2 CE2  doub Y N 379 
TYR CD2 HD2  sing N N 380 
TYR CE1 CZ   doub Y N 381 
TYR CE1 HE1  sing N N 382 
TYR CE2 CZ   sing Y N 383 
TYR CE2 HE2  sing N N 384 
TYR CZ  OH   sing N N 385 
TYR OH  HH   sing N N 386 
TYR OXT HXT  sing N N 387 
VAL N   CA   sing N N 388 
VAL N   H    sing N N 389 
VAL N   H2   sing N N 390 
VAL CA  C    sing N N 391 
VAL CA  CB   sing N N 392 
VAL CA  HA   sing N N 393 
VAL C   O    doub N N 394 
VAL C   OXT  sing N N 395 
VAL CB  CG1  sing N N 396 
VAL CB  CG2  sing N N 397 
VAL CB  HB   sing N N 398 
VAL CG1 HG11 sing N N 399 
VAL CG1 HG12 sing N N 400 
VAL CG1 HG13 sing N N 401 
VAL CG2 HG21 sing N N 402 
VAL CG2 HG22 sing N N 403 
VAL CG2 HG23 sing N N 404 
VAL OXT HXT  sing N N 405 
# 
_pdbx_audit_support.funding_organization   'Brazilian National Council for Scientific and Technological Development (CNPq)' 
_pdbx_audit_support.country                Brazil 
_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   1s0r 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9AW8 
_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]   0.018637 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.017498 
_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]   0.015433 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C  6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651  0.216   
CA 20 20 8.627  10.442 7.387 0.660  1.590 85.748 1.021 178.437 1.375   
H  1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800  0.003   
N  7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583   -11.538 
O  8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909  0.251   
S  16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172  0.867   
# 
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   . ILE A 1 1   ? 8.608   8.368   12.808  1.000 9.084  0 1   ILE A N   1 ? 
ATOM   2    C  CA  . ILE A 1 1   ? 8.657   7.358   13.898  1.000 9.010  0 1   ILE A CA  1 ? 
ATOM   3    C  C   . ILE A 1 1   ? 9.933   7.578   14.693  1.000 9.352  0 1   ILE A C   1 ? 
ATOM   4    O  O   . ILE A 1 1   ? 11.018  7.533   14.088  1.000 9.088  0 1   ILE A O   1 ? 
ATOM   5    C  CB  . ILE A 1 1   ? 8.641   5.936   13.306  1.000 9.546  0 1   ILE A CB  1 ? 
ATOM   6    C  CG1 . ILE A 1 1   ? 7.434   5.676   12.387  1.000 10.335 0 1   ILE A CG1 1 ? 
ATOM   7    C  CG2 . ILE A 1 1   ? 8.710   4.884   14.432  1.000 10.571 0 1   ILE A CG2 1 ? 
ATOM   8    C  CD1 . ILE A 1 1   ? 6.062   5.571   13.070  1.000 10.404 0 1   ILE A CD1 1 ? 
ATOM   9    N  N   . VAL A 1 2   ? 9.764   7.851   15.984  1.000 9.263  0 2   VAL A N   1 ? 
ATOM   10   C  CA  . VAL A 1 2   ? 10.894  8.021   16.902  1.000 10.154 0 2   VAL A CA  1 ? 
ATOM   11   C  C   . VAL A 1 2   ? 11.091  6.717   17.675  1.000 11.012 0 2   VAL A C   1 ? 
ATOM   12   O  O   . VAL A 1 2   ? 10.135  6.189   18.246  1.000 11.988 0 2   VAL A O   1 ? 
ATOM   13   C  CB  . VAL A 1 2   ? 10.649  9.152   17.915  1.000 10.034 0 2   VAL A CB  1 ? 
ATOM   14   C  CG1 . VAL A 1 2   ? 11.798  9.348   18.886  1.000 11.719 0 2   VAL A CG1 1 ? 
ATOM   15   C  CG2 . VAL A 1 2   ? 10.272  10.461  17.228  1.000 12.271 0 2   VAL A CG2 1 ? 
ATOM   16   N  N   . GLY A 1 3   ? 12.342  6.220   17.658  1.000 11.451 0 3   GLY A N   1 ? 
ATOM   17   C  CA  . GLY A 1 3   ? 12.703  5.043   18.440  1.000 12.136 0 3   GLY A CA  1 ? 
ATOM   18   C  C   . GLY A 1 3   ? 12.225  3.729   17.832  1.000 12.070 0 3   GLY A C   1 ? 
ATOM   19   O  O   . GLY A 1 3   ? 12.131  2.705   18.530  1.000 12.620 0 3   GLY A O   1 ? 
ATOM   20   N  N   . GLY A 1 4   ? 12.031  3.755   16.524  1.000 12.071 0 4   GLY A N   1 ? 
ATOM   21   C  CA  . GLY A 1 4   ? 11.571  2.614   15.757  1.000 11.184 0 4   GLY A CA  1 ? 
ATOM   22   C  C   . GLY A 1 4   ? 12.714  1.855   15.064  1.000 10.774 0 4   GLY A C   1 ? 
ATOM   23   O  O   . GLY A 1 4   ? 13.903  1.979   15.374  1.000 13.330 0 4   GLY A O   1 ? 
ATOM   24   N  N   . TYR A 1 5   ? 12.309  1.101   14.039  1.000 9.865  0 5   TYR A N   1 ? 
ATOM   25   C  CA  . TYR A 1 5   ? 13.200  0.245   13.280  1.000 11.396 0 5   TYR A CA  1 ? 
ATOM   26   C  C   . TYR A 1 5   ? 12.873  0.360   11.777  1.000 11.696 0 5   TYR A C   1 ? 
ATOM   27   O  O   . TYR A 1 5   ? 11.721  0.641   11.377  1.000 11.726 0 5   TYR A O   1 ? 
ATOM   28   C  CB  . TYR A 1 5   ? 13.151  -1.196  13.813  1.000 11.639 0 5   TYR A CB  1 ? 
ATOM   29   C  CG  . TYR A 1 5   ? 11.821  -1.910  13.697  1.000 12.172 0 5   TYR A CG  1 ? 
ATOM   30   C  CD1 . TYR A 1 5   ? 10.808  -1.655  14.607  1.000 11.945 0 5   TYR A CD1 1 ? 
ATOM   31   C  CD2 . TYR A 1 5   ? 11.521  -2.795  12.647  1.000 12.488 0 5   TYR A CD2 1 ? 
ATOM   32   C  CE1 . TYR A 1 5   ? 9.570   -2.281  14.514  1.000 12.359 0 5   TYR A CE1 1 ? 
ATOM   33   C  CE2 . TYR A 1 5   ? 10.269  -3.375  12.518  1.000 12.438 0 5   TYR A CE2 1 ? 
ATOM   34   C  CZ  . TYR A 1 5   ? 9.288   -3.140  13.463  1.000 12.788 0 5   TYR A CZ  1 ? 
ATOM   35   O  OH  . TYR A 1 5   ? 8.002   -3.718  13.385  1.000 14.842 0 5   TYR A OH  1 ? 
ATOM   36   N  N   . THR A 1 6   ? 13.856  0.056   10.923  1.000 12.363 0 6   THR A N   1 ? 
ATOM   37   C  CA  . THR A 1 6   ? 13.581  -0.069  9.498   1.000 12.384 0 6   THR A CA  1 ? 
ATOM   38   C  C   . THR A 1 6   ? 12.680  -1.269  9.253   1.000 12.752 0 6   THR A C   1 ? 
ATOM   39   O  O   . THR A 1 6   ? 13.031  -2.406  9.559   1.000 12.977 0 6   THR A O   1 ? 
ATOM   40   C  CB  . THR A 1 6   ? 14.925  -0.198  8.746   1.000 12.510 0 6   THR A CB  1 ? 
ATOM   41   O  OG1 . THR A 1 6   ? 15.594  1.048   8.927   1.000 14.648 0 6   THR A OG1 1 ? 
ATOM   42   C  CG2 . THR A 1 6   ? 14.773  -0.518  7.273   1.000 13.770 0 6   THR A CG2 1 ? 
ATOM   43   N  N   . CYS A 1 7   ? 11.485  -1.064  8.658   1.000 10.669 0 7   CYS A N   1 ? 
ATOM   44   C  CA  . CYS A 1 7   ? 10.517  -2.136  8.501   1.000 11.221 0 7   CYS A CA  1 ? 
ATOM   45   C  C   . CYS A 1 7   ? 11.079  -3.277  7.657   1.000 12.724 0 7   CYS A C   1 ? 
ATOM   46   O  O   . CYS A 1 7   ? 10.881  -4.449  7.984   1.000 13.369 0 7   CYS A O   1 ? 
ATOM   47   C  CB  . CYS A 1 7   ? 9.222   -1.656  7.830   1.000 12.214 0 7   CYS A CB  1 ? 
ATOM   48   S  SG  . CYS A 1 7   ? 8.388   -0.249  8.617   1.000 9.809  0 7   CYS A SG  1 ? 
ATOM   49   N  N   . GLY A 1 8   ? 11.750  -2.899  6.569   1.000 13.155 0 8   GLY A N   1 ? 
ATOM   50   C  CA  . GLY A 1 8   ? 12.099  -3.813  5.498   1.000 12.839 0 8   GLY A CA  1 ? 
ATOM   51   C  C   . GLY A 1 8   ? 11.173  -3.614  4.285   1.000 13.074 0 8   GLY A C   1 ? 
ATOM   52   O  O   . GLY A 1 8   ? 9.944   -3.504  4.438   1.000 13.061 0 8   GLY A O   1 ? 
ATOM   53   N  N   . ALA A 1 9   ? 11.773  -3.599  3.093   1.000 12.733 0 9   ALA A N   1 ? 
ATOM   54   C  CA  . ALA A 1 9   ? 11.074  -3.157  1.876   1.000 13.288 0 9   ALA A CA  1 ? 
ATOM   55   C  C   . ALA A 1 9   ? 9.793   -3.962  1.638   1.000 14.026 0 9   ALA A C   1 ? 
ATOM   56   O  O   . ALA A 1 9   ? 9.810   -5.186  1.589   1.000 14.976 0 9   ALA A O   1 ? 
ATOM   57   C  CB  . ALA A 1 9   ? 11.987  -3.228  0.677   1.000 13.046 0 9   ALA A CB  1 ? 
ATOM   58   N  N   . ASN A 1 10  ? 8.664   -3.238  1.544   1.000 12.921 0 10  ASN A N   1 ? 
ATOM   59   C  CA  . ASN A 1 10  ? 7.393   -3.801  1.131   1.000 13.346 0 10  ASN A CA  1 ? 
ATOM   60   C  C   . ASN A 1 10  ? 6.856   -4.831  2.138   1.000 13.280 0 10  ASN A C   1 ? 
ATOM   61   O  O   . ASN A 1 10  ? 5.908   -5.524  1.797   1.000 17.080 0 10  ASN A O   1 ? 
ATOM   62   C  CB  . ASN A 1 10  ? 7.465   -4.331  -0.313  1.000 13.947 0 10  ASN A CB  1 ? 
ATOM   63   C  CG  . ASN A 1 10  ? 8.022   -3.319  -1.293  1.000 14.943 0 10  ASN A CG  1 ? 
ATOM   64   O  OD1 . ASN A 1 10  ? 9.068   -3.524  -1.886  1.000 15.271 0 10  ASN A OD1 1 ? 
ATOM   65   N  ND2 . ASN A 1 10  ? 7.346   -2.193  -1.476  1.000 13.688 0 10  ASN A ND2 1 ? 
ATOM   66   N  N   . THR A 1 11  ? 7.308   -4.839  3.403   1.000 13.420 0 11  THR A N   1 ? 
ATOM   67   C  CA  . THR A 1 11  ? 6.745   -5.728  4.421   1.000 12.898 0 11  THR A CA  1 ? 
ATOM   68   C  C   . THR A 1 11  ? 5.521   -5.121  5.120   1.000 12.476 0 11  THR A C   1 ? 
ATOM   69   O  O   . THR A 1 11  ? 4.890   -5.778  5.926   1.000 13.396 0 11  THR A O   1 ? 
ATOM   70   C  CB  . THR A 1 11  ? 7.791   -6.094  5.470   1.000 14.780 0 11  THR A CB  1 ? 
ATOM   71   O  OG1 . THR A 1 11  ? 8.195   -4.933  6.171   1.000 14.868 0 11  THR A OG1 1 ? 
ATOM   72   C  CG2 . THR A 1 11  ? 8.995   -6.777  4.841   1.000 17.328 0 11  THR A CG2 1 ? 
ATOM   73   N  N   . VAL A 1 12  ? 5.177   -3.871  4.776   1.000 11.220 0 12  VAL A N   1 ? 
ATOM   74   C  CA  . VAL A 1 12  ? 3.985   -3.177  5.246   1.000 11.152 0 12  VAL A CA  1 ? 
ATOM   75   C  C   . VAL A 1 12  ? 3.230   -2.783  3.972   1.000 11.178 0 12  VAL A C   1 ? 
ATOM   76   O  O   . VAL A 1 12  ? 3.151   -1.611  3.545   1.000 10.650 0 12  VAL A O   1 ? 
ATOM   77   C  CB  . VAL A 1 12  ? 4.315   -1.953  6.118   1.000 11.565 0 12  VAL A CB  1 ? 
ATOM   78   C  CG1 . VAL A 1 12  ? 3.060   -1.471  6.816   1.000 11.649 0 12  VAL A CG1 1 ? 
ATOM   79   C  CG2 . VAL A 1 12  ? 5.399   -2.227  7.121   1.000 13.796 0 12  VAL A CG2 1 ? 
ATOM   80   N  N   . PRO A 1 13  ? 2.652   -3.758  3.239   1.000 11.346 0 13  PRO A N   1 ? 
ATOM   81   C  CA  . PRO A 1 13  ? 2.242   -3.494  1.867   1.000 10.952 0 13  PRO A CA  1 ? 
ATOM   82   C  C   . PRO A 1 13  ? 0.982   -2.645  1.681   1.000 10.402 0 13  PRO A C   1 ? 
ATOM   83   O  O   . PRO A 1 13  ? 0.674   -2.252  0.565   1.000 11.111 0 13  PRO A O   1 ? 
ATOM   84   C  CB  . PRO A 1 13  ? 2.035   -4.914  1.304   1.000 11.102 0 13  PRO A CB  1 ? 
ATOM   85   C  CG  . PRO A 1 13  ? 1.595   -5.720  2.487   1.000 10.691 0 13  PRO A CG  1 ? 
ATOM   86   C  CD  . PRO A 1 13  ? 2.426   -5.158  3.633   1.000 10.984 0 13  PRO A CD  1 ? 
ATOM   87   N  N   . TYR A 1 14  ? 0.290   -2.359  2.803   1.000 9.528  0 14  TYR A N   1 ? 
ATOM   88   C  CA  . TYR A 1 14  ? -0.866  -1.502  2.822   1.000 10.036 0 14  TYR A CA  1 ? 
ATOM   89   C  C   . TYR A 1 14  ? -0.447  -0.033  3.085   1.000 9.908  0 14  TYR A C   1 ? 
ATOM   90   O  O   . TYR A 1 14  ? -1.290  0.865   3.035   1.000 9.088  0 14  TYR A O   1 ? 
ATOM   91   C  CB  . TYR A 1 14  ? -1.882  -1.987  3.875   1.000 9.571  0 14  TYR A CB  1 ? 
ATOM   92   C  CG  . TYR A 1 14  ? -1.274  -2.181  5.237   1.000 9.450  0 14  TYR A CG  1 ? 
ATOM   93   C  CD1 . TYR A 1 14  ? -1.079  -1.160  6.155   1.000 8.929  0 14  TYR A CD1 1 ? 
ATOM   94   C  CD2 . TYR A 1 14  ? -0.818  -3.434  5.616   1.000 9.788  0 14  TYR A CD2 1 ? 
ATOM   95   C  CE1 . TYR A 1 14  ? -0.467  -1.387  7.382   1.000 9.084  0 14  TYR A CE1 1 ? 
ATOM   96   C  CE2 . TYR A 1 14  ? -0.212  -3.663  6.832   1.000 8.774  0 14  TYR A CE2 1 ? 
ATOM   97   C  CZ  . TYR A 1 14  ? 0.001   -2.632  7.720   1.000 8.807  0 14  TYR A CZ  1 ? 
ATOM   98   O  OH  . TYR A 1 14  ? 0.716   -2.787  8.901   1.000 9.573  0 14  TYR A OH  1 ? 
ATOM   99   N  N   . GLN A 1 15  ? 0.814   0.229   3.461   1.000 8.997  0 15  GLN A N   1 ? 
ATOM   100  C  CA  . GLN A 1 15  ? 1.258   1.593   3.747   1.000 8.975  0 15  GLN A CA  1 ? 
ATOM   101  C  C   . GLN A 1 15  ? 1.395   2.355   2.451   1.000 8.329  0 15  GLN A C   1 ? 
ATOM   102  O  O   . GLN A 1 15  ? 2.061   1.894   1.516   1.000 9.152  0 15  GLN A O   1 ? 
ATOM   103  C  CB  . GLN A 1 15  ? 2.610   1.584   4.452   1.000 9.462  0 15  GLN A CB  1 ? 
ATOM   104  C  CG  . GLN A 1 15  ? 3.268   2.938   4.668   1.000 9.669  0 15  GLN A CG  1 ? 
ATOM   105  C  CD  . GLN A 1 15  ? 2.761   3.677   5.881   1.000 10.081 0 15  GLN A CD  1 ? 
ATOM   106  O  OE1 . GLN A 1 15  ? 2.683   3.143   6.981   1.000 11.000 0 15  GLN A OE1 1 ? 
ATOM   107  N  NE2 . GLN A 1 15  ? 2.286   4.913   5.695   1.000 9.329  0 15  GLN A NE2 1 ? 
ATOM   108  N  N   . VAL A 1 16  ? 0.738   3.526   2.382   1.000 9.140  0 16  VAL A N   1 ? 
ATOM   109  C  CA  . VAL A 1 16  ? 0.925   4.460   1.288   1.000 9.246  0 16  VAL A CA  1 ? 
ATOM   110  C  C   . VAL A 1 16  ? 1.611   5.748   1.789   1.000 8.040  0 16  VAL A C   1 ? 
ATOM   111  O  O   . VAL A 1 16  ? 1.527   6.159   2.973   1.000 6.664  0 16  VAL A O   1 ? 
ATOM   112  C  CB  . VAL A 1 16  ? -0.382  4.719   0.530   1.000 12.175 0 16  VAL A CB  1 ? 
ATOM   113  C  CG1 . VAL A 1 16  ? -1.083  3.426   0.098   1.000 14.667 0 16  VAL A CG1 1 ? 
ATOM   114  C  CG2 . VAL A 1 16  ? -1.305  5.582   1.323   1.000 12.188 0 16  VAL A CG2 1 ? 
ATOM   115  N  N   . SER A 1 17  ? 2.225   6.452   0.825   1.000 7.766  0 17  SER A N   1 ? 
ATOM   116  C  CA  . SER A 1 17  ? 2.658   7.835   0.954   1.000 7.779  0 17  SER A CA  1 ? 
ATOM   117  C  C   . SER A 1 17  ? 1.740   8.733   0.110   1.000 7.806  0 17  SER A C   1 ? 
ATOM   118  O  O   . SER A 1 17  ? 1.426   8.393   -1.021  1.000 9.573  0 17  SER A O   1 ? 
ATOM   119  C  CB  . SER A 1 17  ? 4.094   7.951   0.488   1.000 8.741  0 17  SER A CB  1 ? 
ATOM   120  O  OG  . SER A 1 17  ? 4.442   9.321   0.327   1.000 8.507  0 17  SER A OG  1 ? 
ATOM   121  N  N   . LEU A 1 18  ? 1.217   9.792   0.731   1.000 6.883  0 18  LEU A N   1 ? 
ATOM   122  C  CA  . LEU A 1 18  ? 0.502   10.834  0.037   1.000 6.975  0 18  LEU A CA  1 ? 
ATOM   123  C  C   . LEU A 1 18  ? 1.516   11.903  -0.364  1.000 7.501  0 18  LEU A C   1 ? 
ATOM   124  O  O   . LEU A 1 18  ? 2.298   12.448  0.483   1.000 7.071  0 18  LEU A O   1 ? 
ATOM   125  C  CB  . LEU A 1 18  ? -0.558  11.409  0.969   1.000 7.749  0 18  LEU A CB  1 ? 
ATOM   126  C  CG  . LEU A 1 18  ? -1.519  10.391  1.590   1.000 8.837  0 18  LEU A CG  1 ? 
ATOM   127  C  CD1 . LEU A 1 18  ? -2.630  11.111  2.384   1.000 8.886  0 18  LEU A CD1 1 ? 
ATOM   128  C  CD2 . LEU A 1 18  ? -2.094  9.451   0.526   1.000 9.493  0 18  LEU A CD2 1 ? 
ATOM   129  N  N   . ASN A 1 19  ? 1.474   12.255  -1.648  1.000 7.368  0 19  ASN A N   1 ? 
ATOM   130  C  CA  . ASN A 1 19  ? 2.465   13.131  -2.221  1.000 7.870  0 19  ASN A CA  1 ? 
ATOM   131  C  C   . ASN A 1 19  ? 1.788   14.298  -2.926  1.000 9.157  0 19  ASN A C   1 ? 
ATOM   132  O  O   . ASN A 1 19  ? 0.881   14.077  -3.730  1.000 10.186 0 19  ASN A O   1 ? 
ATOM   133  C  CB  . ASN A 1 19  ? 3.363   12.318  -3.161  1.000 7.960  0 19  ASN A CB  1 ? 
ATOM   134  C  CG  . ASN A 1 19  ? 4.482   13.106  -3.810  1.000 7.626  0 19  ASN A CG  1 ? 
ATOM   135  O  OD1 . ASN A 1 19  ? 4.205   13.969  -4.629  1.000 7.712  0 19  ASN A OD1 1 ? 
ATOM   136  N  ND2 . ASN A 1 19  ? 5.702   12.840  -3.350  1.000 8.310  0 19  ASN A ND2 1 ? 
ATOM   137  N  N   . SER A 1 20  ? 2.228   15.523  -2.615  1.000 9.120  0 20  SER A N   1 ? 
ATOM   138  C  CA  . SER A 1 20  ? 1.741   16.708  -3.316  1.000 10.843 0 20  SER A CA  1 ? 
ATOM   139  C  C   . SER A 1 20  ? 2.910   17.495  -3.889  1.000 11.017 0 20  SER A C   1 ? 
ATOM   140  O  O   . SER A 1 20  ? 2.959   18.731  -3.756  1.000 11.336 0 20  SER A O   1 ? 
ATOM   141  C  CB  . SER A 1 20  ? 0.926   17.587  -2.401  1.000 13.405 0 20  SER A CB  1 ? 
ATOM   142  O  OG  . SER A 1 20  ? 1.719   18.043  -1.299  1.000 18.497 0 20  SER A OG  1 ? 
ATOM   143  N  N   . GLY A 1 21  ? 3.873   16.763  -4.458  1.000 10.129 0 21  GLY A N   1 ? 
ATOM   144  C  CA  . GLY A 1 21  ? 5.183   17.280  -4.817  1.000 10.024 0 21  GLY A CA  1 ? 
ATOM   145  C  C   . GLY A 1 21  ? 6.312   16.882  -3.864  1.000 9.766  0 21  GLY A C   1 ? 
ATOM   146  O  O   . GLY A 1 21  ? 7.489   17.115  -4.159  1.000 11.879 0 21  GLY A O   1 ? 
ATOM   147  N  N   . TYR A 1 22  ? 5.925   16.289  -2.732  1.000 8.551  0 22  TYR A N   1 ? 
ATOM   148  C  CA  . TYR A 1 22  ? 6.760   15.837  -1.639  1.000 8.541  0 22  TYR A CA  1 ? 
ATOM   149  C  C   . TYR A 1 22  ? 5.851   14.938  -0.782  1.000 8.193  0 22  TYR A C   1 ? 
ATOM   150  O  O   . TYR A 1 22  ? 4.636   15.120  -0.791  1.000 9.056  0 22  TYR A O   1 ? 
ATOM   151  C  CB  . TYR A 1 22  ? 7.255   17.044  -0.821  1.000 9.970  0 22  TYR A CB  1 ? 
ATOM   152  C  CG  . TYR A 1 22  ? 6.164   18.018  -0.483  1.000 10.381 0 22  TYR A CG  1 ? 
ATOM   153  C  CD1 . TYR A 1 22  ? 5.828   19.044  -1.354  1.000 12.103 0 22  TYR A CD1 1 ? 
ATOM   154  C  CD2 . TYR A 1 22  ? 5.389   17.858  0.657   1.000 12.725 0 22  TYR A CD2 1 ? 
ATOM   155  C  CE1 . TYR A 1 22  ? 4.772   19.898  -1.106  1.000 14.805 0 22  TYR A CE1 1 ? 
ATOM   156  C  CE2 . TYR A 1 22  ? 4.344   18.730  0.932   1.000 13.602 0 22  TYR A CE2 1 ? 
ATOM   157  C  CZ  . TYR A 1 22  ? 3.991   19.709  0.020   1.000 14.340 0 22  TYR A CZ  1 ? 
ATOM   158  O  OH  . TYR A 1 22  ? 2.870   20.521  0.269   1.000 17.559 0 22  TYR A OH  1 ? 
ATOM   159  N  N   . HIS A 1 23  ? 6.437   14.018  -0.026  1.000 7.876  0 23  HIS A N   1 ? 
ATOM   160  C  CA  . HIS A 1 23  ? 5.702   13.252  0.938   1.000 8.665  0 23  HIS A CA  1 ? 
ATOM   161  C  C   . HIS A 1 23  ? 5.172   14.183  2.024   1.000 8.015  0 23  HIS A C   1 ? 
ATOM   162  O  O   . HIS A 1 23  ? 5.945   14.957  2.596   1.000 8.459  0 23  HIS A O   1 ? 
ATOM   163  C  CB  . HIS A 1 23  ? 6.617   12.204  1.554   1.000 8.041  0 23  HIS A CB  1 ? 
ATOM   164  C  CG  . HIS A 1 23  ? 6.001   11.558  2.748   1.000 8.054  0 23  HIS A CG  1 ? 
ATOM   165  N  ND1 . HIS A 1 23  ? 5.152   10.487  2.725   1.000 8.342  0 23  HIS A ND1 1 ? 
ATOM   166  C  CD2 . HIS A 1 23  ? 6.121   11.929  4.061   1.000 8.097  0 23  HIS A CD2 1 ? 
ATOM   167  C  CE1 . HIS A 1 23  ? 4.766   10.217  3.965   1.000 8.661  0 23  HIS A CE1 1 ? 
ATOM   168  N  NE2 . HIS A 1 23  ? 5.349   11.090  4.803   1.000 8.328  0 23  HIS A NE2 1 ? 
ATOM   169  N  N   . PHE A 1 24  ? 3.884   14.059  2.396   1.000 8.597  0 24  PHE A N   1 ? 
ATOM   170  C  CA  . PHE A 1 24  ? 3.381   14.897  3.485   1.000 8.645  0 24  PHE A CA  1 ? 
ATOM   171  C  C   . PHE A 1 24  ? 2.547   14.131  4.507   1.000 8.945  0 24  PHE A C   1 ? 
ATOM   172  O  O   . PHE A 1 24  ? 2.268   14.653  5.593   1.000 9.461  0 24  PHE A O   1 ? 
ATOM   173  C  CB  . PHE A 1 24  ? 2.568   16.075  2.949   1.000 8.474  0 24  PHE A CB  1 ? 
ATOM   174  C  CG  . PHE A 1 24  ? 1.281   15.713  2.264   1.000 9.643  0 24  PHE A CG  1 ? 
ATOM   175  C  CD1 . PHE A 1 24  ? 0.113   15.690  3.026   1.000 10.055 0 24  PHE A CD1 1 ? 
ATOM   176  C  CD2 . PHE A 1 24  ? 1.170   15.434  0.910   1.000 8.474  0 24  PHE A CD2 1 ? 
ATOM   177  C  CE1 . PHE A 1 24  ? -1.084  15.312  2.469   1.000 10.023 0 24  PHE A CE1 1 ? 
ATOM   178  C  CE2 . PHE A 1 24  ? -0.055  15.125  0.333   1.000 9.028  0 24  PHE A CE2 1 ? 
ATOM   179  C  CZ  . PHE A 1 24  ? -1.185  15.032  1.130   1.000 9.671  0 24  PHE A CZ  1 ? 
ATOM   180  N  N   . CYS A 1 25  ? 2.139   12.902  4.192   1.000 7.257  0 25  CYS A N   1 ? 
ATOM   181  C  CA  . CYS A 1 25  ? 1.350   12.144  5.126   1.000 7.420  0 25  CYS A CA  1 ? 
ATOM   182  C  C   . CYS A 1 25  ? 1.332   10.680  4.704   1.000 7.149  0 25  CYS A C   1 ? 
ATOM   183  O  O   . CYS A 1 25  ? 1.607   10.361  3.568   1.000 8.209  0 25  CYS A O   1 ? 
ATOM   184  C  CB  . CYS A 1 25  ? -0.113  12.623  5.217   1.000 7.753  0 25  CYS A CB  1 ? 
ATOM   185  S  SG  . CYS A 1 25  ? -0.485  13.953  6.378   1.000 8.293  0 25  CYS A SG  1 ? 
ATOM   186  N  N   . GLY A 1 26  ? 1.010   9.794   5.630   1.000 6.968  0 26  GLY A N   1 ? 
ATOM   187  C  CA  . GLY A 1 26  ? 0.729   8.393   5.325   1.000 7.452  0 26  GLY A CA  1 ? 
ATOM   188  C  C   . GLY A 1 26  ? -0.747  8.137   5.081   1.000 8.202  0 26  GLY A C   1 ? 
ATOM   189  O  O   . GLY A 1 26  ? -1.573  9.021   5.248   1.000 7.324  0 26  GLY A O   1 ? 
ATOM   190  N  N   . GLY A 1 27  ? -1.007  6.898   4.702   1.000 8.277  0 27  GLY A N   1 ? 
ATOM   191  C  CA  . GLY A 1 27  ? -2.339  6.372   4.511   1.000 8.156  0 27  GLY A CA  1 ? 
ATOM   192  C  C   . GLY A 1 27  ? -2.273  4.852   4.467   1.000 8.642  0 27  GLY A C   1 ? 
ATOM   193  O  O   . GLY A 1 27  ? -1.180  4.290   4.528   1.000 8.625  0 27  GLY A O   1 ? 
ATOM   194  N  N   . SER A 1 28  ? -3.445  4.215   4.459   1.000 8.683  0 28  SER A N   1 ? 
ATOM   195  C  CA  . SER A 1 28  ? -3.600  2.767   4.425   1.000 8.901  0 28  SER A CA  1 ? 
ATOM   196  C  C   . SER A 1 28  ? -4.528  2.354   3.281   1.000 10.155 0 28  SER A C   1 ? 
ATOM   197  O  O   . SER A 1 28  ? -5.601  2.885   3.132   1.000 10.075 0 28  SER A O   1 ? 
ATOM   198  C  CB  . SER A 1 28  ? -4.162  2.251   5.739   1.000 9.377  0 28  SER A CB  1 ? 
ATOM   199  O  OG  . SER A 1 28  ? -3.380  2.642   6.855   1.000 10.202 0 28  SER A OG  1 ? 
ATOM   200  N  N   . LEU A 1 29  ? -4.075  1.425   2.443   1.000 10.635 0 29  LEU A N   1 ? 
ATOM   201  C  CA  . LEU A 1 29  ? -4.895  0.905   1.365   1.000 10.519 0 29  LEU A CA  1 ? 
ATOM   202  C  C   . LEU A 1 29  ? -5.923  -0.076  1.931   1.000 11.614 0 29  LEU A C   1 ? 
ATOM   203  O  O   . LEU A 1 29  ? -5.531  -1.058  2.550   1.000 11.088 0 29  LEU A O   1 ? 
ATOM   204  C  CB  . LEU A 1 29  ? -3.977  0.203   0.368   1.000 11.347 0 29  LEU A CB  1 ? 
ATOM   205  C  CG  . LEU A 1 29  ? -4.625  -0.157  -0.956  1.000 12.103 0 29  LEU A CG  1 ? 
ATOM   206  C  CD1 . LEU A 1 29  ? -4.997  1.078   -1.782  1.000 12.626 0 29  LEU A CD1 1 ? 
ATOM   207  C  CD2 . LEU A 1 29  ? -3.657  -1.047  -1.747  1.000 13.518 0 29  LEU A CD2 1 ? 
ATOM   208  N  N   . ILE A 1 30  ? -7.223  0.175   1.729   1.000 12.224 0 30  ILE A N   1 ? 
ATOM   209  C  CA  . ILE A 1 30  ? -8.231  -0.740  2.298   1.000 12.298 0 30  ILE A CA  1 ? 
ATOM   210  C  C   . ILE A 1 30  ? -8.929  -1.577  1.216   1.000 13.910 0 30  ILE A C   1 ? 
ATOM   211  O  O   . ILE A 1 30  ? -9.583  -2.569  1.555   1.000 15.429 0 30  ILE A O   1 ? 
ATOM   212  C  CB  . ILE A 1 30  ? -9.259  -0.009  3.169   1.000 13.172 0 30  ILE A CB  1 ? 
ATOM   213  C  CG1 . ILE A 1 30  ? -9.961  1.082   2.369   1.000 13.984 0 30  ILE A CG1 1 ? 
ATOM   214  C  CG2 . ILE A 1 30  ? -8.624  0.510   4.435   1.000 14.630 0 30  ILE A CG2 1 ? 
ATOM   215  C  CD1 . ILE A 1 30  ? -11.193 1.622   3.061   1.000 14.554 0 30  ILE A CD1 1 ? 
ATOM   216  N  N   . ASN A 1 31  ? -8.788  -1.206  -0.051  1.000 13.999 0 31  ASN A N   1 ? 
ATOM   217  C  CA  . ASN A 1 31  ? -9.128  -2.096  -1.159  1.000 15.592 0 31  ASN A CA  1 ? 
ATOM   218  C  C   . ASN A 1 31  ? -8.415  -1.523  -2.383  1.000 14.722 0 31  ASN A C   1 ? 
ATOM   219  O  O   . ASN A 1 31  ? -7.705  -0.524  -2.266  1.000 14.391 0 31  ASN A O   1 ? 
ATOM   220  C  CB  . ASN A 1 31  ? -10.653 -2.256  -1.324  1.000 17.469 0 31  ASN A CB  1 ? 
ATOM   221  C  CG  . ASN A 1 31  ? -11.367 -0.947  -1.580  1.000 17.333 0 31  ASN A CG  1 ? 
ATOM   222  O  OD1 . ASN A 1 31  ? -10.962 -0.138  -2.420  1.000 15.603 0 31  ASN A OD1 1 ? 
ATOM   223  N  ND2 . ASN A 1 31  ? -12.362 -0.682  -0.736  1.000 23.620 0 31  ASN A ND2 1 ? 
ATOM   224  N  N   . SER A 1 32  ? -8.649  -2.038  -3.600  1.000 13.141 0 32  SER A N   1 ? 
ATOM   225  C  CA  . SER A 1 32  ? -7.863  -1.582  -4.730  1.000 14.234 0 32  SER A CA  1 ? 
ATOM   226  C  C   . SER A 1 32  ? -8.139  -0.141  -5.143  1.000 13.206 0 32  SER A C   1 ? 
ATOM   227  O  O   . SER A 1 32  ? -7.365  0.395   -5.934  1.000 13.694 0 32  SER A O   1 ? 
ATOM   228  C  CB  . SER A 1 32  ? -8.015  -2.489  -5.928  1.000 15.857 0 32  SER A CB  1 ? 
ATOM   229  O  OG  . SER A 1 32  ? -9.353  -2.485  -6.354  1.000 16.769 0 32  SER A OG  1 ? 
ATOM   230  N  N   . GLN A 1 33  ? -9.225  0.474   -4.654  1.000 13.265 0 33  GLN A N   1 ? 
ATOM   231  C  CA  . GLN A 1 33  ? -9.552  1.821   -5.107  1.000 14.928 0 33  GLN A CA  1 ? 
ATOM   232  C  C   . GLN A 1 33  ? -9.616  2.834   -3.969  1.000 13.459 0 33  GLN A C   1 ? 
ATOM   233  O  O   . GLN A 1 33  ? -9.930  3.968   -4.272  1.000 11.422 0 33  GLN A O   1 ? 
ATOM   234  C  CB  . GLN A 1 33  ? -10.899 1.878   -5.821  1.000 17.664 0 33  GLN A CB  1 ? 
ATOM   235  C  CG  . GLN A 1 33  ? -10.840 1.105   -7.120  1.000 20.111 0 33  GLN A CG  1 ? 
ATOM   236  C  CD  . GLN A 1 33  ? -12.188 1.090   -7.763  1.000 22.161 0 33  GLN A CD  1 ? 
ATOM   237  O  OE1 . GLN A 1 33  ? -12.967 0.187   -7.482  1.000 29.689 0 33  GLN A OE1 1 ? 
ATOM   238  N  NE2 . GLN A 1 33  ? -12.469 2.093   -8.577  1.000 20.030 0 33  GLN A NE2 1 ? 
ATOM   239  N  N   . TRP A 1 34  ? -9.333  2.431   -2.714  1.000 11.735 0 34  TRP A N   1 ? 
ATOM   240  C  CA  . TRP A 1 34  ? -9.601  3.317   -1.590  1.000 11.589 0 34  TRP A CA  1 ? 
ATOM   241  C  C   . TRP A 1 34  ? -8.509  3.298   -0.531  1.000 10.710 0 34  TRP A C   1 ? 
ATOM   242  O  O   . TRP A 1 34  ? -8.027  2.228   -0.143  1.000 9.896  0 34  TRP A O   1 ? 
ATOM   243  C  CB  . TRP A 1 34  ? -10.904 2.947   -0.880  1.000 11.612 0 34  TRP A CB  1 ? 
ATOM   244  C  CG  . TRP A 1 34  ? -12.138 3.322   -1.644  1.000 12.489 0 34  TRP A CG  1 ? 
ATOM   245  C  CD1 . TRP A 1 34  ? -12.830 2.506   -2.489  1.000 13.036 0 34  TRP A CD1 1 ? 
ATOM   246  C  CD2 . TRP A 1 34  ? -12.819 4.589   -1.682  1.000 12.126 0 34  TRP A CD2 1 ? 
ATOM   247  N  NE1 . TRP A 1 34  ? -13.855 3.187   -3.084  1.000 13.153 0 34  TRP A NE1 1 ? 
ATOM   248  C  CE2 . TRP A 1 34  ? -13.897 4.469   -2.583  1.000 12.405 0 34  TRP A CE2 1 ? 
ATOM   249  C  CE3 . TRP A 1 34  ? -12.658 5.804   -1.008  1.000 12.360 0 34  TRP A CE3 1 ? 
ATOM   250  C  CZ2 . TRP A 1 34  ? -14.790 5.516   -2.838  1.000 11.862 0 34  TRP A CZ2 1 ? 
ATOM   251  C  CZ3 . TRP A 1 34  ? -13.517 6.840   -1.277  1.000 12.869 0 34  TRP A CZ3 1 ? 
ATOM   252  C  CH2 . TRP A 1 34  ? -14.597 6.704   -2.181  1.000 12.561 0 34  TRP A CH2 1 ? 
ATOM   253  N  N   . VAL A 1 35  ? -8.176  4.510   -0.071  1.000 10.142 0 35  VAL A N   1 ? 
ATOM   254  C  CA  . VAL A 1 35  ? -7.206  4.724   0.990   1.000 9.491  0 35  VAL A CA  1 ? 
ATOM   255  C  C   . VAL A 1 35  ? -7.881  5.430   2.152   1.000 8.329  0 35  VAL A C   1 ? 
ATOM   256  O  O   . VAL A 1 35  ? -8.676  6.372   1.961   1.000 9.482  0 35  VAL A O   1 ? 
ATOM   257  C  CB  . VAL A 1 35  ? -6.039  5.561   0.467   1.000 8.980  0 35  VAL A CB  1 ? 
ATOM   258  C  CG1 . VAL A 1 35  ? -5.136  6.039   1.600   1.000 9.541  0 35  VAL A CG1 1 ? 
ATOM   259  C  CG2 . VAL A 1 35  ? -5.254  4.743   -0.537  1.000 9.863  0 35  VAL A CG2 1 ? 
ATOM   260  N  N   . VAL A 1 36  ? -7.519  5.005   3.361   1.000 7.938  0 36  VAL A N   1 ? 
ATOM   261  C  CA  . VAL A 1 36  ? -7.900  5.690   4.594   1.000 9.283  0 36  VAL A CA  1 ? 
ATOM   262  C  C   . VAL A 1 36  ? -6.700  6.502   5.106   1.000 8.817  0 36  VAL A C   1 ? 
ATOM   263  O  O   . VAL A 1 36  ? -5.582  5.961   5.206   1.000 9.064  0 36  VAL A O   1 ? 
ATOM   264  C  CB  . VAL A 1 36  ? -8.335  4.683   5.683   1.000 10.142 0 36  VAL A CB  1 ? 
ATOM   265  C  CG1 . VAL A 1 36  ? -8.323  5.259   7.101   1.000 11.867 0 36  VAL A CG1 1 ? 
ATOM   266  C  CG2 . VAL A 1 36  ? -9.679  4.056   5.395   1.000 13.710 0 36  VAL A CG2 1 ? 
ATOM   267  N  N   . SER A 1 37  ? -6.933  7.772   5.458   1.000 7.534  0 37  SER A N   1 ? 
ATOM   268  C  CA  . SER A 1 37  ? -5.915  8.631   6.057   1.000 7.335  0 37  SER A CA  1 ? 
ATOM   269  C  C   . SER A 1 37  ? -6.592  9.518   7.098   1.000 7.464  0 37  SER A C   1 ? 
ATOM   270  O  O   . SER A 1 37  ? -7.724  9.242   7.509   1.000 7.707  0 37  SER A O   1 ? 
ATOM   271  C  CB  . SER A 1 37  ? -5.175  9.376   4.956   1.000 7.277  0 37  SER A CB  1 ? 
ATOM   272  O  OG  . SER A 1 37  ? -4.123  10.158  5.428   1.000 6.591  0 37  SER A OG  1 ? 
ATOM   273  N  N   . ALA A 1 38  ? -5.863  10.539  7.578   1.000 6.935  0 38  ALA A N   1 ? 
ATOM   274  C  CA  . ALA A 1 38  ? -6.378  11.489  8.552   1.000 7.040  0 38  ALA A CA  1 ? 
ATOM   275  C  C   . ALA A 1 38  ? -6.985  12.654  7.801   1.000 7.238  0 38  ALA A C   1 ? 
ATOM   276  O  O   . ALA A 1 38  ? -6.390  13.154  6.848   1.000 7.720  0 38  ALA A O   1 ? 
ATOM   277  C  CB  . ALA A 1 38  ? -5.272  12.007  9.471   1.000 6.525  0 38  ALA A CB  1 ? 
ATOM   278  N  N   . ALA A 1 39  ? -8.097  13.200  8.318   1.000 7.076  0 39  ALA A N   1 ? 
ATOM   279  C  CA  . ALA A 1 39  ? -8.654  14.421  7.778   1.000 7.402  0 39  ALA A CA  1 ? 
ATOM   280  C  C   . ALA A 1 39  ? -7.731  15.625  7.862   1.000 7.028  0 39  ALA A C   1 ? 
ATOM   281  O  O   . ALA A 1 39  ? -7.727  16.461  6.959   1.000 8.558  0 39  ALA A O   1 ? 
ATOM   282  C  CB  . ALA A 1 39  ? -9.936  14.720  8.520   1.000 7.212  0 39  ALA A CB  1 ? 
ATOM   283  N  N   . HIS A 1 40  ? -6.880  15.688  8.888   1.000 7.573  0 40  HIS A N   1 ? 
ATOM   284  C  CA  . HIS A 1 40  ? -5.974  16.818  9.018   1.000 8.286  0 40  HIS A CA  1 ? 
ATOM   285  C  C   . HIS A 1 40  ? -4.856  16.745  7.977   1.000 8.453  0 40  HIS A C   1 ? 
ATOM   286  O  O   . HIS A 1 40  ? -4.134  17.763  7.785   1.000 9.236  0 40  HIS A O   1 ? 
ATOM   287  C  CB  . HIS A 1 40  ? -5.452  16.983  10.434  1.000 8.558  0 40  HIS A CB  1 ? 
ATOM   288  C  CG  . HIS A 1 40  ? -4.255  16.176  10.765  1.000 8.945  0 40  HIS A CG  1 ? 
ATOM   289  N  ND1 . HIS A 1 40  ? -4.299  14.985  11.428  1.000 9.352  0 40  HIS A ND1 1 ? 
ATOM   290  C  CD2 . HIS A 1 40  ? -2.930  16.462  10.537  1.000 8.844  0 40  HIS A CD2 1 ? 
ATOM   291  C  CE1 . HIS A 1 40  ? -3.053  14.535  11.595  1.000 10.455 0 40  HIS A CE1 1 ? 
ATOM   292  N  NE2 . HIS A 1 40  ? -2.199  15.450  11.081  1.000 8.938  0 40  HIS A NE2 1 ? 
ATOM   293  N  N   . CYS A 1 41  ? -4.816  15.633  7.213   1.000 9.178  0 41  CYS A N   1 ? 
ATOM   294  C  CA  . CYS A 1 41  ? -3.920  15.487  6.068   1.000 10.057 0 41  CYS A CA  1 ? 
ATOM   295  C  C   . CYS A 1 41  ? -4.555  15.990  4.767   1.000 12.683 0 41  CYS A C   1 ? 
ATOM   296  O  O   . CYS A 1 41  ? -4.009  15.816  3.675   1.000 13.935 0 41  CYS A O   1 ? 
ATOM   297  C  CB  . CYS A 1 41  ? -3.479  14.040  5.880   1.000 9.294  0 41  CYS A CB  1 ? 
ATOM   298  S  SG  . CYS A 1 41  ? -2.322  13.420  7.136   1.000 9.412  0 41  CYS A SG  1 ? 
ATOM   299  N  N   . TYR A 1 42  ? -5.794  16.441  4.803   1.000 11.379 0 42  TYR A N   1 ? 
ATOM   300  C  CA  . TYR A 1 42  ? -6.435  16.912  3.587   1.000 12.868 0 42  TYR A CA  1 ? 
ATOM   301  C  C   . TYR A 1 42  ? -5.559  17.952  2.867   1.000 12.094 0 42  TYR A C   1 ? 
ATOM   302  O  O   . TYR A 1 42  ? -5.019  18.896  3.440   1.000 14.236 0 42  TYR A O   1 ? 
ATOM   303  C  CB  . TYR A 1 42  ? -7.808  17.539  3.889   1.000 13.368 0 42  TYR A CB  1 ? 
ATOM   304  C  CG  . TYR A 1 42  ? -8.233  18.367  2.713   1.000 12.646 0 42  TYR A CG  1 ? 
ATOM   305  C  CD1 . TYR A 1 42  ? -8.763  17.755  1.593   1.000 13.119 0 42  TYR A CD1 1 ? 
ATOM   306  C  CD2 . TYR A 1 42  ? -7.926  19.721  2.655   1.000 13.855 0 42  TYR A CD2 1 ? 
ATOM   307  C  CE1 . TYR A 1 42  ? -9.062  18.492  0.457   1.000 14.158 0 42  TYR A CE1 1 ? 
ATOM   308  C  CE2 . TYR A 1 42  ? -8.172  20.456  1.516   1.000 14.618 0 42  TYR A CE2 1 ? 
ATOM   309  C  CZ  . TYR A 1 42  ? -8.752  19.835  0.424   1.000 14.158 0 42  TYR A CZ  1 ? 
ATOM   310  O  OH  . TYR A 1 42  ? -8.956  20.570  -0.714  1.000 17.781 0 42  TYR A OH  1 ? 
ATOM   311  N  N   . LYS A 1 43  ? -5.418  17.726  1.564   1.000 13.785 0 43  LYS A N   1 ? 
ATOM   312  C  CA  . LYS A 1 43  ? -5.039  18.811  0.674   1.000 15.021 0 43  LYS A CA  1 ? 
ATOM   313  C  C   . LYS A 1 43  ? -5.529  18.465  -0.724  1.000 12.652 0 43  LYS A C   1 ? 
ATOM   314  O  O   . LYS A 1 43  ? -5.905  17.336  -0.986  1.000 11.922 0 43  LYS A O   1 ? 
ATOM   315  C  CB  . LYS A 1 43  ? -3.570  19.159  0.723   1.000 20.601 0 43  LYS A CB  1 ? 
ATOM   316  C  CG  . LYS A 1 43  ? -2.675  18.145  0.106   1.000 22.565 0 43  LYS A CG  1 ? 
ATOM   317  C  CD  . LYS A 1 43  ? -1.266  18.706  0.062   1.000 25.963 0 43  LYS A CD  1 ? 
ATOM   318  C  CE  . LYS A 1 43  ? -0.727  18.943  1.441   1.000 23.264 0 43  LYS A CE  1 ? 
ATOM   319  N  NZ  . LYS A 1 43  ? 0.649   19.442  1.349   1.000 29.417 0 43  LYS A NZ  1 ? 
ATOM   320  N  N   . SER A 1 44  ? -5.522  19.466  -1.616  1.000 15.516 0 44  SER A N   1 ? 
ATOM   321  C  CA  . SER A 1 44  ? -5.883  19.225  -3.013  1.000 16.648 0 44  SER A CA  1 ? 
ATOM   322  C  C   . SER A 1 44  ? -4.684  18.648  -3.791  1.000 15.684 0 44  SER A C   1 ? 
ATOM   323  O  O   . SER A 1 44  ? -3.545  18.799  -3.378  1.000 17.413 0 44  SER A O   1 ? 
ATOM   324  C  CB  . SER A 1 44  ? -6.336  20.509  -3.669  1.000 19.470 0 44  SER A CB  1 ? 
ATOM   325  O  OG  . SER A 1 44  ? -5.262  21.396  -3.669  1.000 23.202 0 44  SER A OG  1 ? 
ATOM   326  N  N   . GLY A 1 45  ? -4.928  17.958  -4.910  1.000 18.102 0 45  GLY A N   1 ? 
ATOM   327  C  CA  . GLY A 1 45  ? -3.824  17.491  -5.754  1.000 17.594 0 45  GLY A CA  1 ? 
ATOM   328  C  C   . GLY A 1 45  ? -2.965  16.373  -5.132  1.000 18.103 0 45  GLY A C   1 ? 
ATOM   329  O  O   . GLY A 1 45  ? -1.724  16.375  -5.213  1.000 21.692 0 45  GLY A O   1 ? 
ATOM   330  N  N   . ILE A 1 46  ? -3.604  15.422  -4.478  1.000 13.946 0 46  ILE A N   1 ? 
ATOM   331  C  CA  . ILE A 1 46  ? -2.882  14.307  -3.864  1.000 12.446 0 46  ILE A CA  1 ? 
ATOM   332  C  C   . ILE A 1 46  ? -2.566  13.262  -4.938  1.000 11.211 0 46  ILE A C   1 ? 
ATOM   333  O  O   . ILE A 1 46  ? -3.443  12.880  -5.732  1.000 12.242 0 46  ILE A O   1 ? 
ATOM   334  C  CB  . ILE A 1 46  ? -3.711  13.711  -2.705  1.000 12.886 0 46  ILE A CB  1 ? 
ATOM   335  C  CG1 . ILE A 1 46  ? -3.839  14.744  -1.587  1.000 14.273 0 46  ILE A CG1 1 ? 
ATOM   336  C  CG2 . ILE A 1 46  ? -3.162  12.411  -2.165  1.000 12.433 0 46  ILE A CG2 1 ? 
ATOM   337  C  CD1 . ILE A 1 46  ? -4.753  14.315  -0.478  1.000 15.239 0 46  ILE A CD1 1 ? 
ATOM   338  N  N   . GLN A 1 47  ? -1.314  12.758  -4.935  1.000 9.970  0 47  GLN A N   1 ? 
ATOM   339  C  CA  . GLN A 1 47  ? -0.975  11.513  -5.605  1.000 10.161 0 47  GLN A CA  1 ? 
ATOM   340  C  C   . GLN A 1 47  ? -0.703  10.469  -4.518  1.000 8.846  0 47  GLN A C   1 ? 
ATOM   341  O  O   . GLN A 1 47  ? 0.025   10.724  -3.540  1.000 11.066 0 47  GLN A O   1 ? 
ATOM   342  C  CB  . GLN A 1 47  ? 0.236   11.704  -6.514  1.000 10.110 0 47  GLN A CB  1 ? 
ATOM   343  C  CG  . GLN A 1 47  ? 0.539   10.515  -7.405  1.000 10.725 0 47  GLN A CG  1 ? 
ATOM   344  C  CD  . GLN A 1 47  ? 1.847   10.735  -8.141  1.000 12.062 0 47  GLN A CD  1 ? 
ATOM   345  O  OE1 . GLN A 1 47  ? 2.881   10.959  -7.492  1.000 12.477 0 47  GLN A OE1 1 ? 
ATOM   346  N  NE2 . GLN A 1 47  ? 1.784   10.668  -9.472  1.000 12.532 0 47  GLN A NE2 1 ? 
ATOM   347  N  N   . VAL A 1 48  ? -1.310  9.315   -4.667  1.000 8.639  0 48  VAL A N   1 ? 
ATOM   348  C  CA  . VAL A 1 48  ? -1.101  8.191   -3.780  1.000 9.143  0 48  VAL A CA  1 ? 
ATOM   349  C  C   . VAL A 1 48  ? 0.051   7.366   -4.332  1.000 8.543  0 48  VAL A C   1 ? 
ATOM   350  O  O   . VAL A 1 48  ? 0.086   7.010   -5.509  1.000 9.041  0 48  VAL A O   1 ? 
ATOM   351  C  CB  . VAL A 1 48  ? -2.398  7.381   -3.626  1.000 9.616  0 48  VAL A CB  1 ? 
ATOM   352  C  CG1 . VAL A 1 48  ? -2.208  6.188   -2.747  1.000 11.101 0 48  VAL A CG1 1 ? 
ATOM   353  C  CG2 . VAL A 1 48  ? -3.512  8.266   -3.099  1.000 9.907  0 48  VAL A CG2 1 ? 
ATOM   354  N  N   . ARG A 1 49  ? 1.038   7.113   -3.478  1.000 8.381  0 49  ARG A N   1 ? 
ATOM   355  C  CA  . ARG A 1 49  ? 2.190   6.291   -3.821  1.000 9.007  0 49  ARG A CA  1 ? 
ATOM   356  C  C   . ARG A 1 49  ? 2.206   4.994   -3.042  1.000 8.626  0 49  ARG A C   1 ? 
ATOM   357  O  O   . ARG A 1 49  ? 2.322   5.002   -1.825  1.000 8.336  0 49  ARG A O   1 ? 
ATOM   358  C  CB  . ARG A 1 49  ? 3.448   7.102   -3.641  1.000 8.766  0 49  ARG A CB  1 ? 
ATOM   359  C  CG  . ARG A 1 49  ? 3.461   8.373   -4.484  1.000 9.217  0 49  ARG A CG  1 ? 
ATOM   360  C  CD  . ARG A 1 49  ? 4.807   9.076   -4.545  1.000 8.366  0 49  ARG A CD  1 ? 
ATOM   361  N  NE  . ARG A 1 49  ? 4.840   10.043  -5.623  1.000 8.665  0 49  ARG A NE  1 ? 
ATOM   362  C  CZ  . ARG A 1 49  ? 5.912   10.495  -6.238  1.000 9.937  0 49  ARG A CZ  1 ? 
ATOM   363  N  NH1 . ARG A 1 49  ? 7.123   10.274  -5.712  1.000 10.115 0 49  ARG A NH1 1 ? 
ATOM   364  N  NH2 . ARG A 1 49  ? 5.735   11.155  -7.379  1.000 10.730 0 49  ARG A NH2 1 ? 
ATOM   365  N  N   . LEU A 1 50  ? 1.993   3.899   -3.780  1.000 8.363  0 50  LEU A N   1 ? 
ATOM   366  C  CA  . LEU A 1 50  ? 1.875   2.574   -3.226  1.000 9.880  0 50  LEU A CA  1 ? 
ATOM   367  C  C   . LEU A 1 50  ? 3.166   1.832   -3.545  1.000 9.037  0 50  LEU A C   1 ? 
ATOM   368  O  O   . LEU A 1 50  ? 3.890   2.176   -4.503  1.000 10.069 0 50  LEU A O   1 ? 
ATOM   369  C  CB  . LEU A 1 50  ? 0.711   1.836   -3.885  1.000 10.958 0 50  LEU A CB  1 ? 
ATOM   370  C  CG  . LEU A 1 50  ? -0.641  2.496   -3.665  1.000 13.099 0 50  LEU A CG  1 ? 
ATOM   371  C  CD1 . LEU A 1 50  ? -1.075  3.173   -4.927  1.000 16.326 0 50  LEU A CD1 1 ? 
ATOM   372  C  CD2 . LEU A 1 50  ? -1.636  1.456   -3.242  1.000 17.089 0 50  LEU A CD2 1 ? 
ATOM   373  N  N   . GLY A 1 51  ? 3.449   0.795   -2.740  1.000 9.499  0 51  GLY A N   1 ? 
ATOM   374  C  CA  . GLY A 1 51  ? 4.617   -0.035  -3.034  1.000 9.710  0 51  GLY A CA  1 ? 
ATOM   375  C  C   . GLY A 1 51  ? 5.956   0.639   -2.732  1.000 9.566  0 51  GLY A C   1 ? 
ATOM   376  O  O   . GLY A 1 51  ? 6.982   0.217   -3.251  1.000 10.669 0 51  GLY A O   1 ? 
ATOM   377  N  N   . GLU A 1 52  ? 5.967   1.706   -1.927  1.000 9.295  0 52  GLU A N   1 ? 
ATOM   378  C  CA  . GLU A 1 52  ? 7.148   2.481   -1.603  1.000 9.035  0 52  GLU A CA  1 ? 
ATOM   379  C  C   . GLU A 1 52  ? 7.946   1.820   -0.464  1.000 9.149  0 52  GLU A C   1 ? 
ATOM   380  O  O   . GLU A 1 52  ? 7.363   1.376   0.528   1.000 9.474  0 52  GLU A O   1 ? 
ATOM   381  C  CB  . GLU A 1 52  ? 6.706   3.879   -1.132  1.000 8.956  0 52  GLU A CB  1 ? 
ATOM   382  C  CG  . GLU A 1 52  ? 6.277   4.810   -2.209  1.000 8.692  0 52  GLU A CG  1 ? 
ATOM   383  C  CD  . GLU A 1 52  ? 7.406   5.340   -3.095  1.000 8.954  0 52  GLU A CD  1 ? 
ATOM   384  O  OE1 . GLU A 1 52  ? 8.515   4.734   -3.122  1.000 9.183  0 52  GLU A OE1 1 ? 
ATOM   385  O  OE2 . GLU A 1 52  ? 7.211   6.353   -3.778  1.000 9.210  0 52  GLU A OE2 1 ? 
ATOM   386  N  N   . ASP A 1 53  ? 9.299   1.863   -0.580  1.000 9.261  0 53  ASP A N   1 ? 
ATOM   387  C  CA  . ASP A 1 53  ? 10.195  1.765   0.578   1.000 9.463  0 53  ASP A CA  1 ? 
ATOM   388  C  C   . ASP A 1 53  ? 10.916  3.099   0.692   1.000 9.345  0 53  ASP A C   1 ? 
ATOM   389  O  O   . ASP A 1 53  ? 10.555  3.950   1.512   1.000 10.197 0 53  ASP A O   1 ? 
ATOM   390  C  CB  . ASP A 1 53  ? 11.149  0.575   0.483   1.000 9.761  0 53  ASP A CB  1 ? 
ATOM   391  C  CG  . ASP A 1 53  ? 11.851  0.391   1.809   1.000 11.637 0 53  ASP A CG  1 ? 
ATOM   392  O  OD1 . ASP A 1 53  ? 11.136  0.469   2.844   1.000 11.399 0 53  ASP A OD1 1 ? 
ATOM   393  O  OD2 . ASP A 1 53  ? 13.071  0.196   1.810   1.000 11.996 0 53  ASP A OD2 1 ? 
ATOM   394  N  N   . ASN A 1 54  ? 11.925  3.351   -0.177  1.000 9.264  0 54  ASN A N   1 ? 
ATOM   395  C  CA  . ASN A 1 54  ? 12.633  4.620   -0.211  1.000 9.273  0 54  ASN A CA  1 ? 
ATOM   396  C  C   . ASN A 1 54  ? 11.798  5.596   -1.032  1.000 9.027  0 54  ASN A C   1 ? 
ATOM   397  O  O   . ASN A 1 54  ? 11.603  5.391   -2.228  1.000 8.249  0 54  ASN A O   1 ? 
ATOM   398  C  CB  . ASN A 1 54  ? 14.033  4.488   -0.803  1.000 10.229 0 54  ASN A CB  1 ? 
ATOM   399  C  CG  . ASN A 1 54  ? 14.854  5.740   -0.604  1.000 10.506 0 54  ASN A CG  1 ? 
ATOM   400  O  OD1 . ASN A 1 54  ? 14.373  6.848   -0.776  1.000 10.282 0 54  ASN A OD1 1 ? 
ATOM   401  N  ND2 . ASN A 1 54  ? 16.058  5.583   -0.053  1.000 10.949 0 54  ASN A ND2 1 ? 
ATOM   402  N  N   . ILE A 1 55  ? 11.248  6.607   -0.361  1.000 8.389  0 55  ILE A N   1 ? 
ATOM   403  C  CA  . ILE A 1 55  ? 10.340  7.541   -1.038  1.000 9.640  0 55  ILE A CA  1 ? 
ATOM   404  C  C   . ILE A 1 55  ? 11.073  8.479   -1.996  1.000 9.099  0 55  ILE A C   1 ? 
ATOM   405  O  O   . ILE A 1 55  ? 10.443  9.297   -2.682  1.000 8.774  0 55  ILE A O   1 ? 
ATOM   406  C  CB  . ILE A 1 55  ? 9.453   8.355   -0.040  1.000 10.184 0 55  ILE A CB  1 ? 
ATOM   407  C  CG1 . ILE A 1 55  ? 10.241  9.001   1.100   1.000 9.894  0 55  ILE A CG1 1 ? 
ATOM   408  C  CG2 . ILE A 1 55  ? 8.274   7.481   0.447   1.000 11.134 0 55  ILE A CG2 1 ? 
ATOM   409  C  CD1 . ILE A 1 55  ? 9.434   10.051  1.894   1.000 10.532 0 55  ILE A CD1 1 ? 
ATOM   410  N  N   . ASN A 1 56  ? 12.430  8.478   -1.969  1.000 8.999  0 56  ASN A N   1 ? 
ATOM   411  C  CA  . ASN A 1 56  ? 13.240  9.365   -2.791  1.000 9.307  0 56  ASN A CA  1 ? 
ATOM   412  C  C   . ASN A 1 56  ? 13.966  8.643   -3.919  1.000 8.966  0 56  ASN A C   1 ? 
ATOM   413  O  O   . ASN A 1 56  ? 14.731  9.287   -4.649  1.000 9.753  0 56  ASN A O   1 ? 
ATOM   414  C  CB  . ASN A 1 56  ? 14.224  10.159  -1.946  1.000 9.550  0 56  ASN A CB  1 ? 
ATOM   415  C  CG  . ASN A 1 56  ? 13.574  11.391  -1.344  1.000 10.495 0 56  ASN A CG  1 ? 
ATOM   416  O  OD1 . ASN A 1 56  ? 12.861  12.149  -2.017  1.000 10.024 0 56  ASN A OD1 1 ? 
ATOM   417  N  ND2 . ASN A 1 56  ? 13.839  11.598  -0.065  1.000 11.730 0 56  ASN A ND2 1 ? 
ATOM   418  N  N   . VAL A 1 57  ? 13.699  7.333   -4.044  1.000 8.826  0 57  VAL A N   1 ? 
ATOM   419  C  CA  . VAL A 1 57  ? 14.317  6.520   -5.071  1.000 8.694  0 57  VAL A CA  1 ? 
ATOM   420  C  C   . VAL A 1 57  ? 13.231  5.647   -5.701  1.000 8.670  0 57  VAL A C   1 ? 
ATOM   421  O  O   . VAL A 1 57  ? 12.560  4.938   -4.969  1.000 9.551  0 57  VAL A O   1 ? 
ATOM   422  C  CB  . VAL A 1 57  ? 15.453  5.654   -4.473  1.000 9.152  0 57  VAL A CB  1 ? 
ATOM   423  C  CG1 . VAL A 1 57  ? 16.109  4.737   -5.491  1.000 10.306 0 57  VAL A CG1 1 ? 
ATOM   424  C  CG2 . VAL A 1 57  ? 16.483  6.545   -3.782  1.000 8.898  0 57  VAL A CG2 1 ? 
ATOM   425  N  N   . VAL A 1 58  ? 13.210  5.557   -7.039  1.000 10.578 0 58  VAL A N   1 ? 
ATOM   426  C  CA  . VAL A 1 58  ? 12.342  4.625   -7.743  1.000 10.561 0 58  VAL A CA  1 ? 
ATOM   427  C  C   . VAL A 1 58  ? 13.054  3.278   -7.721  1.000 10.197 0 58  VAL A C   1 ? 
ATOM   428  O  O   . VAL A 1 58  ? 14.118  3.139   -8.320  1.000 12.195 0 58  VAL A O   1 ? 
ATOM   429  C  CB  . VAL A 1 58  ? 12.007  5.069   -9.174  1.000 10.652 0 58  VAL A CB  1 ? 
ATOM   430  C  CG1 . VAL A 1 58  ? 11.239  3.991   -9.905  1.000 12.430 0 58  VAL A CG1 1 ? 
ATOM   431  C  CG2 . VAL A 1 58  ? 11.226  6.365   -9.156  1.000 13.277 0 58  VAL A CG2 1 ? 
ATOM   432  N  N   . GLU A 1 59  ? 12.483  2.318   -6.993  1.000 8.957  0 59  GLU A N   1 ? 
ATOM   433  C  CA  . GLU A 1 59  ? 13.132  1.043   -6.723  1.000 10.223 0 59  GLU A CA  1 ? 
ATOM   434  C  C   . GLU A 1 59  ? 12.493  -0.070  -7.558  1.000 12.364 0 59  GLU A C   1 ? 
ATOM   435  O  O   . GLU A 1 59  ? 13.089  -1.130  -7.669  1.000 13.714 0 59  GLU A O   1 ? 
ATOM   436  C  CB  . GLU A 1 59  ? 13.138  0.703   -5.236  1.000 10.296 0 59  GLU A CB  1 ? 
ATOM   437  C  CG  . GLU A 1 59  ? 13.885  1.706   -4.412  1.000 10.653 0 59  GLU A CG  1 ? 
ATOM   438  C  CD  . GLU A 1 59  ? 13.894  1.514   -2.911  1.000 13.034 0 59  GLU A CD  1 ? 
ATOM   439  O  OE1 . GLU A 1 59  ? 12.836  1.563   -2.310  1.000 10.200 0 59  GLU A OE1 1 ? 
ATOM   440  O  OE2 . GLU A 1 59  ? 15.013  1.391   -2.348  1.000 14.372 0 59  GLU A OE2 1 ? 
ATOM   441  N  N   . GLY A 1 60  ? 11.321  0.173   -8.155  1.000 12.292 0 60  GLY A N   1 ? 
ATOM   442  C  CA  . GLY A 1 60  ? 10.739  -0.742  -9.128  1.000 12.232 0 60  GLY A CA  1 ? 
ATOM   443  C  C   . GLY A 1 60  ? 9.376   -1.347  -8.793  1.000 12.592 0 60  GLY A C   1 ? 
ATOM   444  O  O   . GLY A 1 60  ? 8.810   -2.007  -9.660  1.000 13.803 0 60  GLY A O   1 ? 
ATOM   445  N  N   . ASN A 1 61  ? 8.871   -1.209  -7.551  1.000 11.735 0 61  ASN A N   1 ? 
ATOM   446  C  CA  . ASN A 1 61  ? 7.648   -1.831  -7.095  1.000 11.937 0 61  ASN A CA  1 ? 
ATOM   447  C  C   . ASN A 1 61  ? 6.558   -0.792  -6.805  1.000 11.683 0 61  ASN A C   1 ? 
ATOM   448  O  O   . ASN A 1 61  ? 5.496   -1.175  -6.277  1.000 12.264 0 61  ASN A O   1 ? 
ATOM   449  C  CB  . ASN A 1 61  ? 7.900   -2.718  -5.891  1.000 12.399 0 61  ASN A CB  1 ? 
ATOM   450  C  CG  . ASN A 1 61  ? 8.785   -3.872  -6.304  1.000 13.381 0 61  ASN A CG  1 ? 
ATOM   451  O  OD1 . ASN A 1 61  ? 8.392   -4.654  -7.180  1.000 15.709 0 61  ASN A OD1 1 ? 
ATOM   452  N  ND2 . ASN A 1 61  ? 9.971   -3.947  -5.707  1.000 15.700 0 61  ASN A ND2 1 ? 
ATOM   453  N  N   . GLU A 1 62  ? 6.838   0.468   -7.133  1.000 10.784 0 62  GLU A N   1 ? 
ATOM   454  C  CA  . GLU A 1 62  ? 5.857   1.524   -6.879  1.000 11.429 0 62  GLU A CA  1 ? 
ATOM   455  C  C   . GLU A 1 62  ? 4.679   1.459   -7.849  1.000 10.117 0 62  GLU A C   1 ? 
ATOM   456  O  O   . GLU A 1 62  ? 4.770   1.066   -9.024  1.000 11.976 0 62  GLU A O   1 ? 
ATOM   457  C  CB  . GLU A 1 62  ? 6.483   2.895   -7.031  1.000 11.470 0 62  GLU A CB  1 ? 
ATOM   458  C  CG  . GLU A 1 62  ? 7.672   3.139   -6.095  1.000 11.198 0 62  GLU A CG  1 ? 
ATOM   459  C  CD  . GLU A 1 62  ? 9.069   2.799   -6.592  1.000 12.154 0 62  GLU A CD  1 ? 
ATOM   460  O  OE1 . GLU A 1 62  ? 9.190   2.111   -7.600  1.000 11.582 0 62  GLU A OE1 1 ? 
ATOM   461  O  OE2 . GLU A 1 62  ? 10.004  3.199   -5.904  1.000 10.657 0 62  GLU A OE2 1 ? 
ATOM   462  N  N   . GLN A 1 63  ? 3.528   1.969   -7.378  1.000 9.414  0 63  GLN A N   1 ? 
ATOM   463  C  CA  . GLN A 1 63  ? 2.405   2.401   -8.212  1.000 10.232 0 63  GLN A CA  1 ? 
ATOM   464  C  C   . GLN A 1 63  ? 2.057   3.817   -7.754  1.000 10.661 0 63  GLN A C   1 ? 
ATOM   465  O  O   . GLN A 1 63  ? 1.690   4.016   -6.572  1.000 11.451 0 63  GLN A O   1 ? 
ATOM   466  C  CB  . GLN A 1 63  ? 1.214   1.460   -8.064  1.000 10.187 0 63  GLN A CB  1 ? 
ATOM   467  C  CG  . GLN A 1 63  ? 1.478   0.047   -8.598  1.000 11.026 0 63  GLN A CG  1 ? 
ATOM   468  C  CD  . GLN A 1 63  ? 0.336   -0.904  -8.338  1.000 12.193 0 63  GLN A CD  1 ? 
ATOM   469  O  OE1 . GLN A 1 63  ? -0.809  -0.610  -8.677  1.000 14.070 0 63  GLN A OE1 1 ? 
ATOM   470  N  NE2 . GLN A 1 63  ? 0.642   -2.066  -7.774  1.000 12.562 0 63  GLN A NE2 1 ? 
ATOM   471  N  N   . PHE A 1 64  ? 2.116   4.769   -8.705  1.000 9.814  0 64  PHE A N   1 ? 
ATOM   472  C  CA  . PHE A 1 64  ? 1.695   6.130   -8.450  1.000 10.483 0 64  PHE A CA  1 ? 
ATOM   473  C  C   . PHE A 1 64  ? 0.326   6.323   -9.094  1.000 11.603 0 64  PHE A C   1 ? 
ATOM   474  O  O   . PHE A 1 64  ? 0.210   6.156   -10.288 1.000 11.880 0 64  PHE A O   1 ? 
ATOM   475  C  CB  . PHE A 1 64  ? 2.697   7.128   -9.034  1.000 10.782 0 64  PHE A CB  1 ? 
ATOM   476  C  CG  . PHE A 1 64  ? 4.104   7.064   -8.492  1.000 11.284 0 64  PHE A CG  1 ? 
ATOM   477  C  CD1 . PHE A 1 64  ? 4.448   6.364   -7.355  1.000 11.157 0 64  PHE A CD1 1 ? 
ATOM   478  C  CD2 . PHE A 1 64  ? 5.058   7.867   -9.086  1.000 13.205 0 64  PHE A CD2 1 ? 
ATOM   479  C  CE1 . PHE A 1 64  ? 5.736   6.409   -6.851  1.000 12.047 0 64  PHE A CE1 1 ? 
ATOM   480  C  CE2 . PHE A 1 64  ? 6.354   7.906   -8.596  1.000 13.484 0 64  PHE A CE2 1 ? 
ATOM   481  C  CZ  . PHE A 1 64  ? 6.688   7.174   -7.492  1.000 12.435 0 64  PHE A CZ  1 ? 
ATOM   482  N  N   . ILE A 1 65  ? -0.669  6.710   -8.308  1.000 10.576 0 65  ILE A N   1 ? 
ATOM   483  C  CA  . ILE A 1 65  ? -2.043  6.837   -8.808  1.000 10.509 0 65  ILE A CA  1 ? 
ATOM   484  C  C   . ILE A 1 65  ? -2.615  8.128   -8.225  1.000 9.964  0 65  ILE A C   1 ? 
ATOM   485  O  O   . ILE A 1 65  ? -2.613  8.314   -7.011  1.000 8.949  0 65  ILE A O   1 ? 
ATOM   486  C  CB  . ILE A 1 65  ? -2.900  5.620   -8.415  1.000 10.310 0 65  ILE A CB  1 ? 
ATOM   487  C  CG1 . ILE A 1 65  ? -2.316  4.281   -8.856  1.000 10.384 0 65  ILE A CG1 1 ? 
ATOM   488  C  CG2 . ILE A 1 65  ? -4.319  5.742   -8.955  1.000 10.783 0 65  ILE A CG2 1 ? 
ATOM   489  C  CD1 . ILE A 1 65  ? -3.035  3.119   -8.350  1.000 11.140 0 65  ILE A CD1 1 ? 
ATOM   490  N  N   . SER A 1 66  ? -3.095  9.035   -9.069  1.000 10.839 0 66  SER A N   1 ? 
ATOM   491  C  CA  . SER A 1 66  ? -3.691  10.267  -8.567  1.000 10.944 0 66  SER A CA  1 ? 
ATOM   492  C  C   . SER A 1 66  ? -5.007  9.988   -7.842  1.000 10.502 0 66  SER A C   1 ? 
ATOM   493  O  O   . SER A 1 66  ? -5.707  9.051   -8.189  1.000 10.094 0 66  SER A O   1 ? 
ATOM   494  C  CB  . SER A 1 66  ? -3.997  11.226  -9.684  1.000 13.601 0 66  SER A CB  1 ? 
ATOM   495  O  OG  . SER A 1 66  ? -2.823  11.559  -10.382 1.000 15.908 0 66  SER A OG  1 ? 
ATOM   496  N  N   . ALA A 1 67  ? -5.310  10.797  -6.807  1.000 11.235 0 67  ALA A N   1 ? 
ATOM   497  C  CA  . ALA A 1 67  ? -6.611  10.795  -6.155  1.000 11.360 0 67  ALA A CA  1 ? 
ATOM   498  C  C   . ALA A 1 67  ? -7.660  11.354  -7.115  1.000 11.885 0 67  ALA A C   1 ? 
ATOM   499  O  O   . ALA A 1 67  ? -7.424  12.354  -7.789  1.000 12.838 0 67  ALA A O   1 ? 
ATOM   500  C  CB  . ALA A 1 67  ? -6.581  11.628  -4.909  1.000 11.441 0 67  ALA A CB  1 ? 
ATOM   501  N  N   . SER A 1 68  ? -8.815  10.700  -7.174  1.000 12.392 0 68  SER A N   1 ? 
ATOM   502  C  CA  . SER A 1 68  ? -9.934  11.247  -7.907  1.000 12.483 0 68  SER A CA  1 ? 
ATOM   503  C  C   . SER A 1 68  ? -10.857 12.030  -6.997  1.000 12.434 0 68  SER A C   1 ? 
ATOM   504  O  O   . SER A 1 68  ? -11.519 12.945  -7.484  1.000 14.447 0 68  SER A O   1 ? 
ATOM   505  C  CB  . SER A 1 68  ? -10.668 10.194  -8.654  1.000 13.961 0 68  SER A CB  1 ? 
ATOM   506  O  OG  . SER A 1 68  ? -11.096 9.181   -7.822  1.000 15.603 0 68  SER A OG  1 ? 
ATOM   507  N  N   . LYS A 1 69  ? -10.913 11.659  -5.742  1.000 13.025 0 69  LYS A N   1 ? 
ATOM   508  C  CA  . LYS A 1 69  ? -11.822 12.314  -4.813  1.000 14.013 0 69  LYS A CA  1 ? 
ATOM   509  C  C   . LYS A 1 69  ? -11.284 12.152  -3.401  1.000 12.598 0 69  LYS A C   1 ? 
ATOM   510  O  O   . LYS A 1 69  ? -10.767 11.098  -3.050  1.000 11.249 0 69  LYS A O   1 ? 
ATOM   511  C  CB  . LYS A 1 69  ? -13.189 11.637  -4.969  1.000 18.288 0 69  LYS A CB  1 ? 
ATOM   512  C  CG  . LYS A 1 69  ? -14.253 12.026  -3.963  1.000 21.483 0 69  LYS A CG  1 ? 
ATOM   513  C  CD  . LYS A 1 69  ? -15.541 11.279  -4.168  1.000 20.824 0 69  LYS A CD  1 ? 
ATOM   514  C  CE  . LYS A 1 69  ? -16.345 11.777  -5.341  1.000 22.076 0 69  LYS A CE  1 ? 
ATOM   515  N  NZ  . LYS A 1 69  ? -17.714 11.214  -5.346  1.000 23.163 0 69  LYS A NZ  1 ? 
ATOM   516  N  N   . SER A 1 70  ? -11.418 13.195  -2.582  1.000 11.568 0 70  SER A N   1 ? 
ATOM   517  C  CA  . SER A 1 70  ? -11.176 13.085  -1.142  1.000 11.118 0 70  SER A CA  1 ? 
ATOM   518  C  C   . SER A 1 70  ? -12.497 13.280  -0.377  1.000 9.563  0 70  SER A C   1 ? 
ATOM   519  O  O   . SER A 1 70  ? -13.283 14.133  -0.762  1.000 9.929  0 70  SER A O   1 ? 
ATOM   520  C  CB  . SER A 1 70  ? -10.166 14.125  -0.689  1.000 12.608 0 70  SER A CB  1 ? 
ATOM   521  O  OG  . SER A 1 70  ? -8.943  13.853  -1.356  1.000 16.790 0 70  SER A OG  1 ? 
ATOM   522  N  N   . ILE A 1 71  ? -12.703 12.544  0.697   1.000 9.687  0 71  ILE A N   1 ? 
ATOM   523  C  CA  . ILE A 1 71  ? -13.918 12.686  1.517   1.000 9.568  0 71  ILE A CA  1 ? 
ATOM   524  C  C   . ILE A 1 71  ? -13.511 12.757  2.982   1.000 9.731  0 71  ILE A C   1 ? 
ATOM   525  O  O   . ILE A 1 71  ? -13.185 11.750  3.611   1.000 9.770  0 71  ILE A O   1 ? 
ATOM   526  C  CB  . ILE A 1 71  ? -14.876 11.522  1.249   1.000 10.160 0 71  ILE A CB  1 ? 
ATOM   527  C  CG1 . ILE A 1 71  ? -15.198 11.328  -0.232  1.000 9.617  0 71  ILE A CG1 1 ? 
ATOM   528  C  CG2 . ILE A 1 71  ? -16.162 11.768  2.024   1.000 10.484 0 71  ILE A CG2 1 ? 
ATOM   529  C  CD1 . ILE A 1 71  ? -16.100 10.114  -0.498  1.000 10.610 0 71  ILE A CD1 1 ? 
ATOM   530  N  N   . VAL A 1 72  ? -13.513 13.971  3.514   1.000 9.066  0 72  VAL A N   1 ? 
ATOM   531  C  CA  . VAL A 1 72  ? -13.291 14.183  4.939   1.000 9.695  0 72  VAL A CA  1 ? 
ATOM   532  C  C   . VAL A 1 72  ? -14.560 13.809  5.697   1.000 9.892  0 72  VAL A C   1 ? 
ATOM   533  O  O   . VAL A 1 72  ? -15.678 14.028  5.200   1.000 9.734  0 72  VAL A O   1 ? 
ATOM   534  C  CB  . VAL A 1 72  ? -12.840 15.618  5.189   1.000 10.408 0 72  VAL A CB  1 ? 
ATOM   535  C  CG1 . VAL A 1 72  ? -12.863 15.984  6.641   1.000 11.263 0 72  VAL A CG1 1 ? 
ATOM   536  C  CG2 . VAL A 1 72  ? -11.445 15.878  4.635   1.000 10.412 0 72  VAL A CG2 1 ? 
ATOM   537  N  N   . HIS A 1 73  ? -14.379 13.185  6.846   1.000 8.856  0 73  HIS A N   1 ? 
ATOM   538  C  CA  . HIS A 1 73  ? -15.510 12.801  7.669   1.000 9.400  0 73  HIS A CA  1 ? 
ATOM   539  C  C   . HIS A 1 73  ? -16.473 13.976  7.787   1.000 9.162  0 73  HIS A C   1 ? 
ATOM   540  O  O   . HIS A 1 73  ? -16.065 15.115  8.021   1.000 9.307  0 73  HIS A O   1 ? 
ATOM   541  C  CB  . HIS A 1 73  ? -15.042 12.246  9.020   1.000 10.051 0 73  HIS A CB  1 ? 
ATOM   542  C  CG  . HIS A 1 73  ? -16.150 11.554  9.758   1.000 10.327 0 73  HIS A CG  1 ? 
ATOM   543  N  ND1 . HIS A 1 73  ? -17.054 12.224  10.529  1.000 10.870 0 73  HIS A ND1 1 ? 
ATOM   544  C  CD2 . HIS A 1 73  ? -16.531 10.231  9.784   1.000 11.320 0 73  HIS A CD2 1 ? 
ATOM   545  C  CE1 . HIS A 1 73  ? -17.916 11.347  11.051  1.000 12.169 0 73  HIS A CE1 1 ? 
ATOM   546  N  NE2 . HIS A 1 73  ? -17.651 10.100  10.584  1.000 13.134 0 73  HIS A NE2 1 ? 
ATOM   547  N  N   . PRO A 1 74  ? -17.793 13.734  7.724   1.000 9.224  0 74  PRO A N   1 ? 
ATOM   548  C  CA  . PRO A 1 74  ? -18.760 14.839  7.818   1.000 9.563  0 74  PRO A CA  1 ? 
ATOM   549  C  C   . PRO A 1 74  ? -18.655 15.623  9.123   1.000 10.525 0 74  PRO A C   1 ? 
ATOM   550  O  O   . PRO A 1 74  ? -18.910 16.816  9.091   1.000 11.358 0 74  PRO A O   1 ? 
ATOM   551  C  CB  . PRO A 1 74  ? -20.131 14.114  7.696   1.000 9.658  0 74  PRO A CB  1 ? 
ATOM   552  C  CG  . PRO A 1 74  ? -19.876 12.722  8.132   1.000 10.724 0 74  PRO A CG  1 ? 
ATOM   553  C  CD  . PRO A 1 74  ? -18.478 12.445  7.592   1.000 10.480 0 74  PRO A CD  1 ? 
ATOM   554  N  N   . SER A 1 75  ? -18.265 14.967  10.228  1.000 9.770  0 75  SER A N   1 ? 
ATOM   555  C  CA  . SER A 1 75  ? -18.195 15.595  11.548  1.000 11.217 0 75  SER A CA  1 ? 
ATOM   556  C  C   . SER A 1 75  ? -16.754 15.938  11.979  1.000 10.705 0 75  SER A C   1 ? 
ATOM   557  O  O   . SER A 1 75  ? -16.482 16.216  13.144  1.000 9.876  0 75  SER A O   1 ? 
ATOM   558  C  CB  . SER A 1 75  ? -18.885 14.704  12.532  1.000 12.019 0 75  SER A CB  1 ? 
ATOM   559  O  OG  . SER A 1 75  ? -20.245 14.498  12.164  1.000 16.513 0 75  SER A OG  1 ? 
ATOM   560  N  N   . TYR A 1 76  ? -15.796 15.911  11.050  1.000 9.096  0 76  TYR A N   1 ? 
ATOM   561  C  CA  . TYR A 1 76  ? -14.420 16.268  11.398  1.000 9.136  0 76  TYR A CA  1 ? 
ATOM   562  C  C   . TYR A 1 76  ? -14.380 17.674  11.963  1.000 8.859  0 76  TYR A C   1 ? 
ATOM   563  O  O   . TYR A 1 76  ? -14.866 18.624  11.359  1.000 9.293  0 76  TYR A O   1 ? 
ATOM   564  C  CB  . TYR A 1 76  ? -13.496 16.184  10.184  1.000 9.102  0 76  TYR A CB  1 ? 
ATOM   565  C  CG  . TYR A 1 76  ? -12.130 16.739  10.448  1.000 8.599  0 76  TYR A CG  1 ? 
ATOM   566  C  CD1 . TYR A 1 76  ? -11.311 16.190  11.423  1.000 8.087  0 76  TYR A CD1 1 ? 
ATOM   567  C  CD2 . TYR A 1 76  ? -11.612 17.781  9.688   1.000 9.221  0 76  TYR A CD2 1 ? 
ATOM   568  C  CE1 . TYR A 1 76  ? -10.039 16.719  11.663  1.000 8.117  0 76  TYR A CE1 1 ? 
ATOM   569  C  CE2 . TYR A 1 76  ? -10.329 18.281  9.887   1.000 9.630  0 76  TYR A CE2 1 ? 
ATOM   570  C  CZ  . TYR A 1 76  ? -9.523  17.708  10.846  1.000 9.555  0 76  TYR A CZ  1 ? 
ATOM   571  O  OH  . TYR A 1 76  ? -8.259  18.166  11.154  1.000 10.873 0 76  TYR A OH  1 ? 
ATOM   572  N  N   . ASN A 1 77  ? -13.752 17.798  13.123  1.000 9.754  0 77  ASN A N   1 ? 
ATOM   573  C  CA  . ASN A 1 77  ? -13.539 19.074  13.780  1.000 10.833 0 77  ASN A CA  1 ? 
ATOM   574  C  C   . ASN A 1 77  ? -12.041 19.302  13.848  1.000 10.166 0 77  ASN A C   1 ? 
ATOM   575  O  O   . ASN A 1 77  ? -11.373 18.625  14.646  1.000 9.991  0 77  ASN A O   1 ? 
ATOM   576  C  CB  . ASN A 1 77  ? -14.145 19.072  15.169  1.000 12.207 0 77  ASN A CB  1 ? 
ATOM   577  C  CG  . ASN A 1 77  ? -14.044 20.436  15.820  1.000 13.569 0 77  ASN A CG  1 ? 
ATOM   578  O  OD1 . ASN A 1 77  ? -12.991 21.042  15.809  1.000 14.102 0 77  ASN A OD1 1 ? 
ATOM   579  N  ND2 . ASN A 1 77  ? -15.128 20.941  16.355  1.000 16.100 0 77  ASN A ND2 1 ? 
ATOM   580  N  N   . SER A 1 78  ? -11.528 20.236  13.038  1.000 9.679  0 78  SER A N   1 ? 
ATOM   581  C  CA  . SER A 1 78  ? -10.109 20.527  12.969  1.000 12.664 0 78  SER A CA  1 ? 
ATOM   582  C  C   . SER A 1 78  ? -9.606  21.187  14.246  1.000 12.418 0 78  SER A C   1 ? 
ATOM   583  O  O   . SER A 1 78  ? -8.402  21.174  14.495  1.000 15.559 0 78  SER A O   1 ? 
ATOM   584  C  CB  . SER A 1 78  ? -9.758  21.328  11.744  1.000 12.618 0 78  SER A CB  1 ? 
ATOM   585  O  OG  . SER A 1 78  ? -10.432 22.565  11.706  1.000 16.131 0 78  SER A OG  1 ? 
ATOM   586  N  N   . ASN A 1 79  ? -10.486 21.762  15.047  1.000 11.199 0 79  ASN A N   1 ? 
ATOM   587  C  CA  . ASN A 1 79  ? -10.039 22.381  16.284  1.000 11.807 0 79  ASN A CA  1 ? 
ATOM   588  C  C   . ASN A 1 79  ? -9.691  21.330  17.338  1.000 12.002 0 79  ASN A C   1 ? 
ATOM   589  O  O   . ASN A 1 79  ? -8.687  21.496  17.988  1.000 14.394 0 79  ASN A O   1 ? 
ATOM   590  C  CB  . ASN A 1 79  ? -11.090 23.334  16.835  1.000 11.634 0 79  ASN A CB  1 ? 
ATOM   591  C  CG  . ASN A 1 79  ? -11.439 24.396  15.801  1.000 11.079 0 79  ASN A CG  1 ? 
ATOM   592  O  OD1 . ASN A 1 79  ? -10.553 24.851  15.074  1.000 13.605 0 79  ASN A OD1 1 ? 
ATOM   593  N  ND2 . ASN A 1 79  ? -12.678 24.790  15.774  1.000 14.018 0 79  ASN A ND2 1 ? 
ATOM   594  N  N   . THR A 1 80  ? -10.497 20.282  17.489  1.000 11.616 0 80  THR A N   1 ? 
ATOM   595  C  CA  . THR A 1 80  ? -10.290 19.267  18.529  1.000 11.190 0 80  THR A CA  1 ? 
ATOM   596  C  C   . THR A 1 80  ? -9.642  17.982  17.995  1.000 10.887 0 80  THR A C   1 ? 
ATOM   597  O  O   . THR A 1 80  ? -9.198  17.083  18.747  1.000 10.998 0 80  THR A O   1 ? 
ATOM   598  C  CB  . THR A 1 80  ? -11.650 18.881  19.130  1.000 11.988 0 80  THR A CB  1 ? 
ATOM   599  O  OG1 . THR A 1 80  ? -12.477 18.335  18.088  1.000 12.152 0 80  THR A OG1 1 ? 
ATOM   600  C  CG2 . THR A 1 80  ? -12.339 20.060  19.774  1.000 13.154 0 80  THR A CG2 1 ? 
ATOM   601  N  N   . LEU A 1 81  ? -9.654  17.873  16.664  1.000 10.665 0 81  LEU A N   1 ? 
ATOM   602  C  CA  . LEU A 1 81  ? -9.296  16.706  15.882  1.000 12.048 0 81  LEU A CA  1 ? 
ATOM   603  C  C   . LEU A 1 81  ? -10.226 15.530  16.145  1.000 10.517 0 81  LEU A C   1 ? 
ATOM   604  O  O   . LEU A 1 81  ? -9.891  14.378  15.856  1.000 10.830 0 81  LEU A O   1 ? 
ATOM   605  C  CB  . LEU A 1 81  ? -7.828  16.342  16.071  1.000 13.401 0 81  LEU A CB  1 ? 
ATOM   606  C  CG  . LEU A 1 81  ? -6.825  17.394  15.592  1.000 16.763 0 81  LEU A CG  1 ? 
ATOM   607  C  CD1 . LEU A 1 81  ? -5.427  16.969  15.956  1.000 18.342 0 81  LEU A CD1 1 ? 
ATOM   608  C  CD2 . LEU A 1 81  ? -6.906  17.622  14.092  1.000 18.984 0 81  LEU A CD2 1 ? 
ATOM   609  N  N   . ASN A 1 82  ? -11.430 15.772  16.653  1.000 10.578 0 82  ASN A N   1 ? 
ATOM   610  C  CA  . ASN A 1 82  ? -12.416 14.718  16.736  1.000 9.668  0 82  ASN A CA  1 ? 
ATOM   611  C  C   . ASN A 1 82  ? -12.825 14.298  15.321  1.000 9.134  0 82  ASN A C   1 ? 
ATOM   612  O  O   . ASN A 1 82  ? -13.082 15.126  14.479  1.000 9.036  0 82  ASN A O   1 ? 
ATOM   613  C  CB  . ASN A 1 82  ? -13.615 15.139  17.582  1.000 9.869  0 82  ASN A CB  1 ? 
ATOM   614  C  CG  . ASN A 1 82  ? -14.487 13.986  18.037  1.000 10.592 0 82  ASN A CG  1 ? 
ATOM   615  O  OD1 . ASN A 1 82  ? -14.018 12.870  18.282  1.000 11.531 0 82  ASN A OD1 1 ? 
ATOM   616  N  ND2 . ASN A 1 82  ? -15.764 14.296  18.238  1.000 13.579 0 82  ASN A ND2 1 ? 
ATOM   617  N  N   . ASN A 1 83  ? -12.950 12.996  15.084  1.000 8.572  0 83  ASN A N   1 ? 
ATOM   618  C  CA  . ASN A 1 83  ? -13.322 12.419  13.787  1.000 8.676  0 83  ASN A CA  1 ? 
ATOM   619  C  C   . ASN A 1 83  ? -12.245 12.721  12.751  1.000 8.358  0 83  ASN A C   1 ? 
ATOM   620  O  O   . ASN A 1 83  ? -12.557 12.998  11.620  1.000 8.468  0 83  ASN A O   1 ? 
ATOM   621  C  CB  . ASN A 1 83  ? -14.698 12.852  13.289  1.000 9.581  0 83  ASN A CB  1 ? 
ATOM   622  C  CG  . ASN A 1 83  ? -15.741 12.675  14.377  1.000 9.803  0 83  ASN A CG  1 ? 
ATOM   623  O  OD1 . ASN A 1 83  ? -15.993 11.555  14.811  1.000 12.992 0 83  ASN A OD1 1 ? 
ATOM   624  N  ND2 . ASN A 1 83  ? -16.418 13.764  14.748  1.000 10.822 0 83  ASN A ND2 1 ? 
ATOM   625  N  N   . ASP A 1 84  ? -10.995 12.465  13.115  1.000 8.616  0 84  ASP A N   1 ? 
ATOM   626  C  CA  . ASP A 1 84  ? -9.844  12.726  12.239  1.000 7.873  0 84  ASP A CA  1 ? 
ATOM   627  C  C   . ASP A 1 84  ? -9.631  11.562  11.280  1.000 7.673  0 84  ASP A C   1 ? 
ATOM   628  O  O   . ASP A 1 84  ? -8.667  10.784  11.413  1.000 7.701  0 84  ASP A O   1 ? 
ATOM   629  C  CB  . ASP A 1 84  ? -8.584  13.068  13.065  1.000 7.803  0 84  ASP A CB  1 ? 
ATOM   630  C  CG  . ASP A 1 84  ? -7.442  13.574  12.197  1.000 8.560  0 84  ASP A CG  1 ? 
ATOM   631  O  OD1 . ASP A 1 84  ? -7.698  13.883  11.012  1.000 8.405  0 84  ASP A OD1 1 ? 
ATOM   632  O  OD2 . ASP A 1 84  ? -6.290  13.576  12.675  1.000 8.488  0 84  ASP A OD2 1 ? 
ATOM   633  N  N   . ILE A 1 85  ? -10.477 11.505  10.239  1.000 7.871  0 85  ILE A N   1 ? 
ATOM   634  C  CA  . ILE A 1 85  ? -10.445 10.401  9.290   1.000 8.436  0 85  ILE A CA  1 ? 
ATOM   635  C  C   . ILE A 1 85  ? -10.943 10.925  7.948   1.000 8.555  0 85  ILE A C   1 ? 
ATOM   636  O  O   . ILE A 1 85  ? -11.783 11.784  7.897   1.000 8.683  0 85  ILE A O   1 ? 
ATOM   637  C  CB  . ILE A 1 85  ? -11.262 9.189   9.779   1.000 9.220  0 85  ILE A CB  1 ? 
ATOM   638  C  CG1 . ILE A 1 85  ? -11.098 7.970   8.864   1.000 9.161  0 85  ILE A CG1 1 ? 
ATOM   639  C  CG2 . ILE A 1 85  ? -12.716 9.549   9.988   1.000 9.394  0 85  ILE A CG2 1 ? 
ATOM   640  C  CD1 . ILE A 1 85  ? -11.722 6.697   9.373   1.000 10.106 0 85  ILE A CD1 1 ? 
ATOM   641  N  N   . MET A 1 86  ? -10.325 10.442  6.865   1.000 8.708  0 86  MET A N   1 ? 
ATOM   642  C  CA  . MET A 1 86  ? -10.672 10.839  5.513   1.000 8.891  0 86  MET A CA  1 ? 
ATOM   643  C  C   . MET A 1 86  ? -10.497 9.641   4.599   1.000 8.405  0 86  MET A C   1 ? 
ATOM   644  O  O   . MET A 1 86  ? -9.599  8.807   4.841   1.000 8.725  0 86  MET A O   1 ? 
ATOM   645  C  CB  . MET A 1 86  ? -9.737  11.987  5.078   1.000 11.624 0 86  MET A CB  1 ? 
ATOM   646  C  CG  . MET A 1 86  ? -9.751  12.376  3.647   1.000 13.517 0 86  MET A CG  1 ? 
ATOM   647  S  SD  . MET A 1 86  ? -8.522  13.703  3.388   1.000 16.022 0 86  MET A SD  1 ? 
ATOM   648  C  CE  . MET A 1 86  ? -7.015  12.871  3.716   1.000 15.001 0 86  MET A CE  1 ? 
ATOM   649  N  N   . LEU A 1 87  ? -11.375 9.532   3.578   1.000 7.561  0 87  LEU A N   1 ? 
ATOM   650  C  CA  . LEU A 1 87  ? -11.191 8.557   2.512   1.000 8.519  0 87  LEU A CA  1 ? 
ATOM   651  C  C   . LEU A 1 87  ? -10.723 9.221   1.252   1.000 8.865  0 87  LEU A C   1 ? 
ATOM   652  O  O   . LEU A 1 87  ? -11.113 10.337  0.929   1.000 9.738  0 87  LEU A O   1 ? 
ATOM   653  C  CB  . LEU A 1 87  ? -12.542 7.865   2.271   1.000 9.589  0 87  LEU A CB  1 ? 
ATOM   654  C  CG  . LEU A 1 87  ? -12.976 6.864   3.328   1.000 10.818 0 87  LEU A CG  1 ? 
ATOM   655  C  CD1 . LEU A 1 87  ? -14.457 6.486   3.199   1.000 11.671 0 87  LEU A CD1 1 ? 
ATOM   656  C  CD2 . LEU A 1 87  ? -12.119 5.606   3.226   1.000 13.322 0 87  LEU A CD2 1 ? 
ATOM   657  N  N   . ILE A 1 88  ? -9.894  8.498   0.508   1.000 8.276  0 88  ILE A N   1 ? 
ATOM   658  C  CA  . ILE A 1 88  ? -9.321  8.992   -0.724  1.000 9.637  0 88  ILE A CA  1 ? 
ATOM   659  C  C   . ILE A 1 88  ? -9.598  7.896   -1.739  1.000 9.649  0 88  ILE A C   1 ? 
ATOM   660  O  O   . ILE A 1 88  ? -9.217  6.770   -1.515  1.000 9.360  0 88  ILE A O   1 ? 
ATOM   661  C  CB  . ILE A 1 88  ? -7.810  9.289   -0.638  1.000 10.659 0 88  ILE A CB  1 ? 
ATOM   662  C  CG1 . ILE A 1 88  ? -7.465  10.353  0.398   1.000 12.031 0 88  ILE A CG1 1 ? 
ATOM   663  C  CG2 . ILE A 1 88  ? -7.230  9.657   -1.979  1.000 12.701 0 88  ILE A CG2 1 ? 
ATOM   664  C  CD1 . ILE A 1 88  ? -5.976  10.472  0.738   1.000 13.150 0 88  ILE A CD1 1 ? 
ATOM   665  N  N   . LYS A 1 89  ? -10.285 8.264   -2.817  1.000 9.688  0 89  LYS A N   1 ? 
ATOM   666  C  CA  . LYS A 1 89  ? -10.511 7.326   -3.901  1.000 10.852 0 89  LYS A CA  1 ? 
ATOM   667  C  C   . LYS A 1 89  ? -9.435  7.527   -4.962  1.000 10.298 0 89  LYS A C   1 ? 
ATOM   668  O  O   . LYS A 1 89  ? -9.118  8.645   -5.309  1.000 11.235 0 89  LYS A O   1 ? 
ATOM   669  C  CB  . LYS A 1 89  ? -11.876 7.522   -4.567  1.000 12.114 0 89  LYS A CB  1 ? 
ATOM   670  C  CG  . LYS A 1 89  ? -12.262 6.365   -5.490  1.000 13.881 0 89  LYS A CG  1 ? 
ATOM   671  C  CD  . LYS A 1 89  ? -13.565 6.503   -6.226  1.000 16.136 0 89  LYS A CD  1 ? 
ATOM   672  C  CE  . LYS A 1 89  ? -13.862 5.200   -6.934  1.000 17.985 0 89  LYS A CE  1 ? 
ATOM   673  N  NZ  . LYS A 1 89  ? -15.101 5.322   -7.734  1.000 19.327 0 89  LYS A NZ  1 ? 
ATOM   674  N  N   . LEU A 1 90  ? -8.925  6.415   -5.506  1.000 11.298 0 90  LEU A N   1 ? 
ATOM   675  C  CA  . LEU A 1 90  ? -7.940  6.426   -6.584  1.000 12.687 0 90  LEU A CA  1 ? 
ATOM   676  C  C   . LEU A 1 90  ? -8.609  6.531   -7.949  1.000 12.130 0 90  LEU A C   1 ? 
ATOM   677  O  O   . LEU A 1 90  ? -9.661  5.930   -8.174  1.000 13.067 0 90  LEU A O   1 ? 
ATOM   678  C  CB  . LEU A 1 90  ? -7.073  5.162   -6.518  1.000 13.086 0 90  LEU A CB  1 ? 
ATOM   679  C  CG  . LEU A 1 90  ? -6.511  4.831   -5.138  1.000 14.193 0 90  LEU A CG  1 ? 
ATOM   680  C  CD1 . LEU A 1 90  ? -5.632  3.599   -5.173  1.000 13.687 0 90  LEU A CD1 1 ? 
ATOM   681  C  CD2 . LEU A 1 90  ? -5.720  5.986   -4.608  1.000 15.200 0 90  LEU A CD2 1 ? 
ATOM   682  N  N   . LYS A 1 91  ? -7.934  7.228   -8.877  1.000 12.433 0 91  LYS A N   1 ? 
ATOM   683  C  CA  . LYS A 1 91  ? -8.435  7.402   -10.233 1.000 13.967 0 91  LYS A CA  1 ? 
ATOM   684  C  C   . LYS A 1 91  ? -8.532  6.049   -10.944 1.000 15.306 0 91  LYS A C   1 ? 
ATOM   685  O  O   . LYS A 1 91  ? -9.302  5.929   -11.879 1.000 17.176 0 91  LYS A O   1 ? 
ATOM   686  C  CB  . LYS A 1 91  ? -7.524  8.298   -11.083 1.000 15.266 0 91  LYS A CB  1 ? 
ATOM   687  C  CG  . LYS A 1 91  ? -7.704  9.789   -10.863 1.000 19.106 0 91  LYS A CG  1 ? 
ATOM   688  C  CD  . LYS A 1 91  ? -7.008  10.693  -11.885 1.000 20.086 0 91  LYS A CD  1 ? 
ATOM   689  C  CE  . LYS A 1 91  ? -7.228  12.156  -11.514 1.000 21.633 0 91  LYS A CE  1 ? 
ATOM   690  N  NZ  . LYS A 1 91  ? -6.570  13.080  -12.488 1.000 23.114 0 91  LYS A NZ  1 ? 
ATOM   691  N  N   . SER A 1 92  ? -7.657  5.081   -10.615 1.000 13.861 0 92  SER A N   1 ? 
ATOM   692  C  CA  . SER A 1 92  ? -7.625  3.736   -11.185 1.000 14.140 0 92  SER A CA  1 ? 
ATOM   693  C  C   . SER A 1 92  ? -7.362  2.743   -10.051 1.000 15.092 0 92  SER A C   1 ? 
ATOM   694  O  O   . SER A 1 92  ? -6.761  3.112   -9.018  1.000 13.172 0 92  SER A O   1 ? 
ATOM   695  C  CB  . SER A 1 92  ? -6.578  3.644   -12.300 1.000 15.780 0 92  SER A CB  1 ? 
ATOM   696  O  OG  . SER A 1 92  ? -5.274  3.897   -11.809 1.000 15.929 0 92  SER A OG  1 ? 
ATOM   697  N  N   . ALA A 1 93  ? -7.809  1.502   -10.213 1.000 14.074 0 93  ALA A N   1 ? 
ATOM   698  C  CA  . ALA A 1 93  ? -7.559  0.462   -9.238  1.000 14.948 0 93  ALA A CA  1 ? 
ATOM   699  C  C   . ALA A 1 93  ? -6.060  0.154   -9.172  1.000 13.085 0 93  ALA A C   1 ? 
ATOM   700  O  O   . ALA A 1 93  ? -5.428  -0.084  -10.202 1.000 14.856 0 93  ALA A O   1 ? 
ATOM   701  C  CB  . ALA A 1 93  ? -8.308  -0.815  -9.561  1.000 15.936 0 93  ALA A CB  1 ? 
ATOM   702  N  N   . ALA A 1 94  ? -5.543  -0.007  -7.946  1.000 13.530 0 94  ALA A N   1 ? 
ATOM   703  C  CA  . ALA A 1 94  ? -4.212  -0.552  -7.769  1.000 16.045 0 94  ALA A CA  1 ? 
ATOM   704  C  C   . ALA A 1 94  ? -4.179  -2.014  -8.217  1.000 17.124 0 94  ALA A C   1 ? 
ATOM   705  O  O   . ALA A 1 94  ? -5.167  -2.734  -8.080  1.000 15.650 0 94  ALA A O   1 ? 
ATOM   706  C  CB  . ALA A 1 94  ? -3.801  -0.452  -6.342  1.000 15.159 0 94  ALA A CB  1 ? 
ATOM   707  N  N   . SER A 1 95  ? -3.016  -2.429  -8.734  1.000 17.465 0 95  SER A N   1 ? 
ATOM   708  C  CA  . SER A 1 95  ? -2.738  -3.835  -8.965  1.000 19.580 0 95  SER A CA  1 ? 
ATOM   709  C  C   . SER A 1 95  ? -2.239  -4.462  -7.675  1.000 17.947 0 95  SER A C   1 ? 
ATOM   710  O  O   . SER A 1 95  ? -1.123  -4.174  -7.245  1.000 18.263 0 95  SER A O   1 ? 
ATOM   711  C  CB  . SER A 1 95  ? -1.728  -4.029  -10.049 1.000 20.951 0 95  SER A CB  1 ? 
ATOM   712  O  OG  . SER A 1 95  ? -2.172  -3.428  -11.269 1.000 30.187 0 95  SER A OG  1 ? 
ATOM   713  N  N   . LEU A 1 96  ? -3.064  -5.305  -7.060  1.000 16.148 0 96  LEU A N   1 ? 
ATOM   714  C  CA  . LEU A 1 96  ? -2.731  -5.958  -5.816  1.000 18.300 0 96  LEU A CA  1 ? 
ATOM   715  C  C   . LEU A 1 96  ? -1.726  -7.088  -6.093  1.000 18.576 0 96  LEU A C   1 ? 
ATOM   716  O  O   . LEU A 1 96  ? -1.856  -7.840  -7.052  1.000 19.665 0 96  LEU A O   1 ? 
ATOM   717  C  CB  . LEU A 1 96  ? -4.016  -6.423  -5.116  1.000 21.190 0 96  LEU A CB  1 ? 
ATOM   718  C  CG  . LEU A 1 96  ? -5.020  -5.321  -4.748  1.000 21.928 0 96  LEU A CG  1 ? 
ATOM   719  C  CD1 . LEU A 1 96  ? -6.161  -5.861  -3.893  1.000 24.130 0 96  LEU A CD1 1 ? 
ATOM   720  C  CD2 . LEU A 1 96  ? -4.321  -4.164  -4.032  1.000 21.572 0 96  LEU A CD2 1 ? 
ATOM   721  N  N   . ASN A 1 97  ? -0.674  -7.148  -5.280  1.000 17.982 0 97  ASN A N   1 ? 
ATOM   722  C  CA  . ASN A 1 97  ? 0.384   -8.140  -5.437  1.000 17.143 0 97  ASN A CA  1 ? 
ATOM   723  C  C   . ASN A 1 97  ? 1.070   -8.337  -4.086  1.000 17.125 0 97  ASN A C   1 ? 
ATOM   724  O  O   . ASN A 1 97  ? 0.555   -7.846  -3.088  1.000 16.414 0 97  ASN A O   1 ? 
ATOM   725  C  CB  . ASN A 1 97  ? 1.324   -7.721  -6.577  1.000 16.165 0 97  ASN A CB  1 ? 
ATOM   726  C  CG  . ASN A 1 97  ? 1.943   -6.352  -6.406  1.000 17.860 0 97  ASN A CG  1 ? 
ATOM   727  O  OD1 . ASN A 1 97  ? 2.029   -5.570  -7.346  1.000 20.647 0 97  ASN A OD1 1 ? 
ATOM   728  N  ND2 . ASN A 1 97  ? 2.479   -6.110  -5.235  1.000 16.664 0 97  ASN A ND2 1 ? 
ATOM   729  N  N   . SER A 1 98  ? 2.222   -9.026  -4.040  1.000 17.353 0 98  SER A N   1 ? 
ATOM   730  C  CA  . SER A 1 98  ? 2.889   -9.302  -2.766  1.000 17.679 0 98  SER A CA  1 ? 
ATOM   731  C  C   . SER A 1 98  ? 3.304   -8.017  -2.052  1.000 17.988 0 98  SER A C   1 ? 
ATOM   732  O  O   . SER A 1 98  ? 3.424   -8.059  -0.839  1.000 19.038 0 98  SER A O   1 ? 
ATOM   733  C  CB  . SER A 1 98  ? 4.085   -10.207 -2.931  1.000 17.429 0 98  SER A CB  1 ? 
ATOM   734  O  OG  . SER A 1 98  ? 5.024   -9.598  -3.805  1.000 18.227 0 98  SER A OG  1 ? 
ATOM   735  N  N   . ARG A 1 99  ? 3.532   -6.915  -2.791  1.000 16.392 0 99  ARG A N   1 ? 
ATOM   736  C  CA  . ARG A 1 99  ? 4.110   -5.703  -2.207  1.000 15.307 0 99  ARG A CA  1 ? 
ATOM   737  C  C   . ARG A 1 99  ? 3.104   -4.559  -2.074  1.000 15.567 0 99  ARG A C   1 ? 
ATOM   738  O  O   . ARG A 1 99  ? 3.450   -3.504  -1.510  1.000 14.546 0 99  ARG A O   1 ? 
ATOM   739  C  CB  . ARG A 1 99  ? 5.257   -5.212  -3.097  1.000 16.695 0 99  ARG A CB  1 ? 
ATOM   740  C  CG  . ARG A 1 99  ? 6.371   -6.243  -3.205  1.000 17.155 0 99  ARG A CG  1 ? 
ATOM   741  C  CD  . ARG A 1 99  ? 7.474   -5.887  -4.190  1.000 17.143 0 99  ARG A CD  1 ? 
ATOM   742  N  NE  . ARG A 1 99  ? 8.591   -6.807  -3.973  1.000 20.878 0 99  ARG A NE  1 ? 
ATOM   743  C  CZ  . ARG A 1 99  ? 8.911   -7.905  -4.645  1.000 29.328 0 99  ARG A CZ  1 ? 
ATOM   744  N  NH1 . ARG A 1 99  ? 8.067   -8.472  -5.511  1.000 32.166 0 99  ARG A NH1 1 ? 
ATOM   745  N  NH2 . ARG A 1 99  ? 10.099  -8.436  -4.376  1.000 25.745 0 99  ARG A NH2 1 ? 
ATOM   746  N  N   . VAL A 1 100 ? 1.909   -4.731  -2.658  1.000 13.413 0 100 VAL A N   1 ? 
ATOM   747  C  CA  . VAL A 1 100 ? 0.818   -3.774  -2.593  1.000 14.283 0 100 VAL A CA  1 ? 
ATOM   748  C  C   . VAL A 1 100 ? -0.454  -4.536  -2.263  1.000 14.726 0 100 VAL A C   1 ? 
ATOM   749  O  O   . VAL A 1 100 ? -0.998  -5.277  -3.113  1.000 14.030 0 100 VAL A O   1 ? 
ATOM   750  C  CB  . VAL A 1 100 ? 0.658   -3.021  -3.916  1.000 13.235 0 100 VAL A CB  1 ? 
ATOM   751  C  CG1 . VAL A 1 100 ? -0.532  -2.073  -3.867  1.000 13.627 0 100 VAL A CG1 1 ? 
ATOM   752  C  CG2 . VAL A 1 100 ? 1.928   -2.282  -4.285  1.000 13.561 0 100 VAL A CG2 1 ? 
ATOM   753  N  N   . ALA A 1 101 ? -0.916  -4.397  -1.017  1.000 13.592 0 101 ALA A N   1 ? 
ATOM   754  C  CA  . ALA A 1 101 ? -2.004  -5.209  -0.511  1.000 13.694 0 101 ALA A CA  1 ? 
ATOM   755  C  C   . ALA A 1 101 ? -2.876  -4.358  0.399   1.000 13.233 0 101 ALA A C   1 ? 
ATOM   756  O  O   . ALA A 1 101 ? -2.388  -3.416  1.013   1.000 14.872 0 101 ALA A O   1 ? 
ATOM   757  C  CB  . ALA A 1 101 ? -1.482  -6.445  0.189   1.000 14.799 0 101 ALA A CB  1 ? 
ATOM   758  N  N   . SER A 1 102 ? -4.143  -4.729  0.532   1.000 12.551 0 102 SER A N   1 ? 
ATOM   759  C  CA  . SER A 1 102 ? -5.051  -4.065  1.458   1.000 12.928 0 102 SER A CA  1 ? 
ATOM   760  C  C   . SER A 1 102 ? -4.970  -4.626  2.871   1.000 12.258 0 102 SER A C   1 ? 
ATOM   761  O  O   . SER A 1 102 ? -4.476  -5.740  3.139   1.000 13.637 0 102 SER A O   1 ? 
ATOM   762  C  CB  . SER A 1 102 ? -6.469  -4.043  0.952   1.000 15.575 0 102 SER A CB  1 ? 
ATOM   763  O  OG  . SER A 1 102 ? -6.921  -5.356  0.719   1.000 20.640 0 102 SER A OG  1 ? 
ATOM   764  N  N   . ILE A 1 103 ? -5.363  -3.764  3.816   1.000 10.884 0 103 ILE A N   1 ? 
ATOM   765  C  CA  . ILE A 1 103 ? -5.428  -4.118  5.218   1.000 12.450 0 103 ILE A CA  1 ? 
ATOM   766  C  C   . ILE A 1 103 ? -6.898  -4.178  5.600   1.000 13.625 0 103 ILE A C   1 ? 
ATOM   767  O  O   . ILE A 1 103 ? -7.667  -3.296  5.206   1.000 12.716 0 103 ILE A O   1 ? 
ATOM   768  C  CB  . ILE A 1 103 ? -4.627  -3.119  6.090   1.000 12.207 0 103 ILE A CB  1 ? 
ATOM   769  C  CG1 . ILE A 1 103 ? -4.600  -3.524  7.570   1.000 12.620 0 103 ILE A CG1 1 ? 
ATOM   770  C  CG2 . ILE A 1 103 ? -5.125  -1.686  5.933   1.000 12.455 0 103 ILE A CG2 1 ? 
ATOM   771  C  CD1 . ILE A 1 103 ? -3.887  -4.815  7.880   1.000 12.962 0 103 ILE A CD1 1 ? 
ATOM   772  N  N   . SER A 1 104 ? -7.254  -5.213  6.369   1.000 13.570 0 104 SER A N   1 ? 
ATOM   773  C  CA  . SER A 1 104 ? -8.616  -5.423  6.820   1.000 13.776 0 104 SER A CA  1 ? 
ATOM   774  C  C   . SER A 1 104 ? -9.083  -4.321  7.757   1.000 12.373 0 104 SER A C   1 ? 
ATOM   775  O  O   . SER A 1 104 ? -8.349  -3.859  8.630   1.000 12.370 0 104 SER A O   1 ? 
ATOM   776  C  CB  . SER A 1 104 ? -8.773  -6.759  7.489   1.000 17.224 0 104 SER A CB  1 ? 
ATOM   777  O  OG  . SER A 1 104 ? -8.765  -7.759  6.507   1.000 22.843 0 104 SER A OG  1 ? 
ATOM   778  N  N   . LEU A 1 105 ? -10.347 -3.958  7.635   1.000 14.804 0 105 LEU A N   1 ? 
ATOM   779  C  CA  . LEU A 1 105 ? -10.984 -3.148  8.654   1.000 14.587 0 105 LEU A CA  1 ? 
ATOM   780  C  C   . LEU A 1 105 ? -11.356 -3.993  9.866   1.000 17.224 0 105 LEU A C   1 ? 
ATOM   781  O  O   . LEU A 1 105 ? -11.578 -5.204  9.771   1.000 17.851 0 105 LEU A O   1 ? 
ATOM   782  C  CB  . LEU A 1 105 ? -12.217 -2.477  8.042   1.000 16.661 0 105 LEU A CB  1 ? 
ATOM   783  C  CG  . LEU A 1 105 ? -11.950 -1.490  6.911   1.000 18.226 0 105 LEU A CG  1 ? 
ATOM   784  C  CD1 . LEU A 1 105 ? -13.267 -1.071  6.281   1.000 20.649 0 105 LEU A CD1 1 ? 
ATOM   785  C  CD2 . LEU A 1 105 ? -11.216 -0.260  7.409   1.000 19.880 0 105 LEU A CD2 1 ? 
ATOM   786  N  N   . PRO A 1 106 ? -11.487 -3.367  11.045  1.000 16.234 0 106 PRO A N   1 ? 
ATOM   787  C  CA  . PRO A 1 106 ? -11.903 -4.066  12.263  1.000 18.513 0 106 PRO A CA  1 ? 
ATOM   788  C  C   . PRO A 1 106 ? -13.393 -4.376  12.280  1.000 22.664 0 106 PRO A C   1 ? 
ATOM   789  O  O   . PRO A 1 106 ? -14.186 -3.663  11.660  1.000 19.586 0 106 PRO A O   1 ? 
ATOM   790  C  CB  . PRO A 1 106 ? -11.487 -3.099  13.359  1.000 18.746 0 106 PRO A CB  1 ? 
ATOM   791  C  CG  . PRO A 1 106 ? -11.640 -1.745  12.715  1.000 18.933 0 106 PRO A CG  1 ? 
ATOM   792  C  CD  . PRO A 1 106 ? -11.241 -1.946  11.276  1.000 16.839 0 106 PRO A CD  1 ? 
ATOM   793  N  N   . THR A 1 107 ? -13.745 -5.461  12.974  1.000 23.453 0 107 THR A N   1 ? 
ATOM   794  C  CA  . THR A 1 107 ? -15.141 -5.750  13.269  1.000 27.370 0 107 THR A CA  1 ? 
ATOM   795  C  C   . THR A 1 107 ? -15.433 -5.336  14.703  1.000 26.630 0 107 THR A C   1 ? 
ATOM   796  O  O   . THR A 1 107 ? -16.536 -4.882  15.002  1.000 34.769 0 107 THR A O   1 ? 
ATOM   797  C  CB  . THR A 1 107 ? -15.439 -7.231  13.027  1.000 26.382 0 107 THR A CB  1 ? 
ATOM   798  O  OG1 . THR A 1 107 ? -14.480 -7.974  13.785  1.000 34.265 0 107 THR A OG1 1 ? 
ATOM   799  C  CG2 . THR A 1 107 ? -15.313 -7.611  11.574  1.000 29.008 0 107 THR A CG2 1 ? 
ATOM   800  N  N   . SER A 1 108 ? -14.458 -5.534  15.587  1.000 25.954 0 108 SER A N   1 ? 
ATOM   801  C  CA  . SER A 1 108 ? -14.532 -5.076  16.957  1.000 26.881 0 108 SER A CA  1 ? 
ATOM   802  C  C   . SER A 1 108 ? -13.283 -4.252  17.290  1.000 22.060 0 108 SER A C   1 ? 
ATOM   803  O  O   . SER A 1 108 ? -12.220 -4.375  16.671  1.000 21.664 0 108 SER A O   1 ? 
ATOM   804  C  CB  . SER A 1 108 ? -14.766 -6.239  17.910  1.000 31.124 0 108 SER A CB  1 ? 
ATOM   805  O  OG  . SER A 1 108 ? -13.587 -7.004  18.103  1.000 37.115 0 108 SER A OG  1 ? 
ATOM   806  N  N   . CYS A 1 109 ? -13.458 -3.315  18.214  1.000 17.422 0 109 CYS A N   1 ? 
ATOM   807  C  CA  . CYS A 1 109 ? -12.398 -2.444  18.654  1.000 17.724 0 109 CYS A CA  1 ? 
ATOM   808  C  C   . CYS A 1 109 ? -11.295 -3.231  19.355  1.000 18.357 0 109 CYS A C   1 ? 
ATOM   809  O  O   . CYS A 1 109 ? -11.475 -4.349  19.833  1.000 20.089 0 109 CYS A O   1 ? 
ATOM   810  C  CB  . CYS A 1 109 ? -12.947 -1.383  19.585  1.000 17.274 0 109 CYS A CB  1 ? 
ATOM   811  S  SG  . CYS A 1 109 ? -14.280 -0.414  18.836  1.000 17.843 0 109 CYS A SG  1 ? 
ATOM   812  N  N   . ALA A 1 110 ? -10.125 -2.614  19.404  1.000 18.188 0 110 ALA A N   1 ? 
ATOM   813  C  CA  . ALA A 1 110 ? -8.936  -3.299  19.884  1.000 18.721 0 110 ALA A CA  1 ? 
ATOM   814  C  C   . ALA A 1 110 ? -8.891  -3.346  21.403  1.000 18.489 0 110 ALA A C   1 ? 
ATOM   815  O  O   . ALA A 1 110 ? -9.456  -2.491  22.081  1.000 19.084 0 110 ALA A O   1 ? 
ATOM   816  C  CB  . ALA A 1 110 ? -7.734  -2.571  19.353  1.000 18.323 0 110 ALA A CB  1 ? 
ATOM   817  N  N   . SER A 1 111 ? -8.240  -4.376  21.949  1.000 21.805 0 111 SER A N   1 ? 
ATOM   818  C  CA  . SER A 1 111 ? -8.010  -4.427  23.388  1.000 24.157 0 111 SER A CA  1 ? 
ATOM   819  C  C   . SER A 1 111 ? -6.908  -3.455  23.814  1.000 23.087 0 111 SER A C   1 ? 
ATOM   820  O  O   . SER A 1 111 ? -5.879  -3.364  23.174  1.000 21.548 0 111 SER A O   1 ? 
ATOM   821  C  CB  . SER A 1 111 ? -7.690  -5.826  23.818  1.000 28.797 0 111 SER A CB  1 ? 
ATOM   822  O  OG  . SER A 1 111 ? -8.736  -6.698  23.437  1.000 36.104 0 111 SER A OG  1 ? 
ATOM   823  N  N   . ALA A 1 112 ? -7.117  -2.780  24.946  1.000 21.028 0 112 ALA A N   1 ? 
ATOM   824  C  CA  . ALA A 1 112 ? -6.050  -2.136  25.702  1.000 19.969 0 112 ALA A CA  1 ? 
ATOM   825  C  C   . ALA A 1 112 ? -4.943  -3.152  25.970  1.000 20.385 0 112 ALA A C   1 ? 
ATOM   826  O  O   . ALA A 1 112 ? -5.229  -4.316  26.245  1.000 21.132 0 112 ALA A O   1 ? 
ATOM   827  C  CB  . ALA A 1 112 ? -6.574  -1.538  26.992  1.000 20.344 0 112 ALA A CB  1 ? 
ATOM   828  N  N   . GLY A 1 113 ? -3.684  -2.726  25.815  1.000 19.272 0 113 GLY A N   1 ? 
ATOM   829  C  CA  . GLY A 1 113 ? -2.536  -3.586  26.025  1.000 20.406 0 113 GLY A CA  1 ? 
ATOM   830  C  C   . GLY A 1 113 ? -2.084  -4.311  24.752  1.000 18.226 0 113 GLY A C   1 ? 
ATOM   831  O  O   . GLY A 1 113 ? -1.008  -4.888  24.750  1.000 20.719 0 113 GLY A O   1 ? 
ATOM   832  N  N   . THR A 1 114 ? -2.880  -4.271  23.675  1.000 19.355 0 114 THR A N   1 ? 
ATOM   833  C  CA  . THR A 1 114 ? -2.524  -4.963  22.440  1.000 20.970 0 114 THR A CA  1 ? 
ATOM   834  C  C   . THR A 1 114 ? -1.309  -4.276  21.810  1.000 18.321 0 114 THR A C   1 ? 
ATOM   835  O  O   . THR A 1 114 ? -1.285  -3.048  21.753  1.000 19.110 0 114 THR A O   1 ? 
ATOM   836  C  CB  . THR A 1 114 ? -3.701  -5.010  21.447  1.000 21.631 0 114 THR A CB  1 ? 
ATOM   837  O  OG1 . THR A 1 114 ? -4.815  -5.720  21.997  1.000 28.414 0 114 THR A OG1 1 ? 
ATOM   838  C  CG2 . THR A 1 114 ? -3.332  -5.718  20.163  1.000 21.618 0 114 THR A CG2 1 ? 
ATOM   839  N  N   . GLN A 1 115 ? -0.261  -5.046  21.456  1.000 19.232 0 115 GLN A N   1 ? 
ATOM   840  C  CA  . GLN A 1 115 ? 0.878   -4.509  20.709  1.000 17.564 0 115 GLN A CA  1 ? 
ATOM   841  C  C   . GLN A 1 115 ? 0.474   -4.339  19.251  1.000 16.282 0 115 GLN A C   1 ? 
ATOM   842  O  O   . GLN A 1 115 ? 0.052   -5.271  18.591  1.000 17.491 0 115 GLN A O   1 ? 
ATOM   843  C  CB  . GLN A 1 115 ? 2.119   -5.397  20.832  1.000 20.840 0 115 GLN A CB  1 ? 
ATOM   844  C  CG  . GLN A 1 115 ? 2.800   -5.325  22.204  1.000 26.451 0 115 GLN A CG  1 ? 
ATOM   845  C  CD  . GLN A 1 115 ? 3.509   -4.023  22.514  1.000 26.573 0 115 GLN A CD  1 ? 
ATOM   846  O  OE1 . GLN A 1 115 ? 4.172   -3.438  21.670  1.000 28.292 0 115 GLN A OE1 1 ? 
ATOM   847  N  NE2 . GLN A 1 115 ? 3.453   -3.596  23.769  1.000 33.035 0 115 GLN A NE2 1 ? 
ATOM   848  N  N   . CYS A 1 116 ? 0.628   -3.121  18.743  1.000 13.120 0 116 CYS A N   1 ? 
ATOM   849  C  CA  . CYS A 1 116 ? 0.238   -2.752  17.404  1.000 12.809 0 116 CYS A CA  1 ? 
ATOM   850  C  C   . CYS A 1 116 ? 1.465   -2.258  16.636  1.000 10.941 0 116 CYS A C   1 ? 
ATOM   851  O  O   . CYS A 1 116 ? 2.459   -1.816  17.229  1.000 13.278 0 116 CYS A O   1 ? 
ATOM   852  C  CB  . CYS A 1 116 ? -0.803  -1.651  17.453  1.000 12.897 0 116 CYS A CB  1 ? 
ATOM   853  S  SG  . CYS A 1 116 ? -2.255  -2.057  18.446  1.000 15.266 0 116 CYS A SG  1 ? 
ATOM   854  N  N   . LEU A 1 117 ? 1.370   -2.298  15.325  1.000 10.749 0 117 LEU A N   1 ? 
ATOM   855  C  CA  . LEU A 1 117 ? 2.416   -1.832  14.427  1.000 10.064 0 117 LEU A CA  1 ? 
ATOM   856  C  C   . LEU A 1 117 ? 1.990   -0.495  13.796  1.000 9.523  0 117 LEU A C   1 ? 
ATOM   857  O  O   . LEU A 1 117 ? 0.958   -0.398  13.110  1.000 9.921  0 117 LEU A O   1 ? 
ATOM   858  C  CB  . LEU A 1 117 ? 2.667   -2.884  13.347  1.000 11.200 0 117 LEU A CB  1 ? 
ATOM   859  C  CG  . LEU A 1 117 ? 3.696   -2.495  12.297  1.000 12.292 0 117 LEU A CG  1 ? 
ATOM   860  C  CD1 . LEU A 1 117 ? 5.093   -2.539  12.886  1.000 13.503 0 117 LEU A CD1 1 ? 
ATOM   861  C  CD2 . LEU A 1 117 ? 3.562   -3.392  11.077  1.000 12.279 0 117 LEU A CD2 1 ? 
ATOM   862  N  N   . ILE A 1 118 ? 2.835   0.507   14.056  1.000 9.788  0 118 ILE A N   1 ? 
ATOM   863  C  CA  . ILE A 1 118 ? 2.698   1.868   13.524  1.000 9.967  0 118 ILE A CA  1 ? 
ATOM   864  C  C   . ILE A 1 118 ? 3.839   2.080   12.552  1.000 9.484  0 118 ILE A C   1 ? 
ATOM   865  O  O   . ILE A 1 118 ? 5.008   1.706   12.826  1.000 10.133 0 118 ILE A O   1 ? 
ATOM   866  C  CB  . ILE A 1 118 ? 2.737   2.884   14.682  1.000 10.655 0 118 ILE A CB  1 ? 
ATOM   867  C  CG1 . ILE A 1 118 ? 1.887   2.446   15.879  1.000 12.576 0 118 ILE A CG1 1 ? 
ATOM   868  C  CG2 . ILE A 1 118 ? 2.353   4.256   14.164  1.000 10.543 0 118 ILE A CG2 1 ? 
ATOM   869  C  CD1 . ILE A 1 118 ? 1.791   3.456   16.976  1.000 12.842 0 118 ILE A CD1 1 ? 
ATOM   870  N  N   . SER A 1 119 ? 3.578   2.767   11.432  1.000 7.932  0 119 SER A N   1 ? 
ATOM   871  C  CA  . SER A 1 119 ? 4.598   2.910   10.433  1.000 8.139  0 119 SER A CA  1 ? 
ATOM   872  C  C   . SER A 1 119 ? 4.472   4.255   9.733   1.000 8.270  0 119 SER A C   1 ? 
ATOM   873  O  O   . SER A 1 119 ? 3.409   4.874   9.719   1.000 8.709  0 119 SER A O   1 ? 
ATOM   874  C  CB  . SER A 1 119 ? 4.532   1.735   9.504   1.000 8.582  0 119 SER A CB  1 ? 
ATOM   875  O  OG  . SER A 1 119 ? 3.249   1.482   8.960   1.000 9.714  0 119 SER A OG  1 ? 
ATOM   876  N  N   . GLY A 1 120 ? 5.595   4.715   9.168   1.000 8.263  0 120 GLY A N   1 ? 
ATOM   877  C  CA  . GLY A 1 120 ? 5.623   5.927   8.388   1.000 7.601  0 120 GLY A CA  1 ? 
ATOM   878  C  C   . GLY A 1 120 ? 7.005   6.491   8.105   1.000 7.867  0 120 GLY A C   1 ? 
ATOM   879  O  O   . GLY A 1 120 ? 7.997   5.939   8.573   1.000 7.713  0 120 GLY A O   1 ? 
ATOM   880  N  N   . TRP A 1 121 ? 7.026   7.600   7.348   1.000 8.378  0 121 TRP A N   1 ? 
ATOM   881  C  CA  . TRP A 1 121 ? 8.222   8.305   6.934   1.000 8.636  0 121 TRP A CA  1 ? 
ATOM   882  C  C   . TRP A 1 121 ? 8.393   9.605   7.714   1.000 8.945  0 121 TRP A C   1 ? 
ATOM   883  O  O   . TRP A 1 121 ? 9.029   10.524  7.237   1.000 10.092 0 121 TRP A O   1 ? 
ATOM   884  C  CB  . TRP A 1 121 ? 8.149   8.545   5.407   1.000 9.602  0 121 TRP A CB  1 ? 
ATOM   885  C  CG  . TRP A 1 121 ? 8.278   7.319   4.565   1.000 9.003  0 121 TRP A CG  1 ? 
ATOM   886  C  CD1 . TRP A 1 121 ? 9.457   6.750   4.157   1.000 8.927  0 121 TRP A CD1 1 ? 
ATOM   887  C  CD2 . TRP A 1 121 ? 7.248   6.562   3.921   1.000 8.994  0 121 TRP A CD2 1 ? 
ATOM   888  N  NE1 . TRP A 1 121 ? 9.224   5.663   3.386   1.000 9.401  0 121 TRP A NE1 1 ? 
ATOM   889  C  CE2 . TRP A 1 121 ? 7.871   5.497   3.232   1.000 9.605  0 121 TRP A CE2 1 ? 
ATOM   890  C  CE3 . TRP A 1 121 ? 5.844   6.616   3.925   1.000 8.929  0 121 TRP A CE3 1 ? 
ATOM   891  C  CZ2 . TRP A 1 121 ? 7.159   4.564   2.508   1.000 9.924  0 121 TRP A CZ2 1 ? 
ATOM   892  C  CZ3 . TRP A 1 121 ? 5.132   5.668   3.222   1.000 10.036 0 121 TRP A CZ3 1 ? 
ATOM   893  C  CH2 . TRP A 1 121 ? 5.795   4.673   2.488   1.000 10.567 0 121 TRP A CH2 1 ? 
ATOM   894  N  N   . GLY A 1 122 ? 7.746   9.707   8.877   1.000 9.173  0 122 GLY A N   1 ? 
ATOM   895  C  CA  . GLY A 1 122 ? 7.818   10.908  9.689   1.000 8.644  0 122 GLY A CA  1 ? 
ATOM   896  C  C   . GLY A 1 122 ? 9.150   11.074  10.431  1.000 8.814  0 122 GLY A C   1 ? 
ATOM   897  O  O   . GLY A 1 122 ? 10.050  10.252  10.351  1.000 9.184  0 122 GLY A O   1 ? 
ATOM   898  N  N   . ASN A 1 123 ? 9.261   12.202  11.126  1.000 10.318 0 123 ASN A N   1 ? 
ATOM   899  C  CA  . ASN A 1 123 ? 10.452  12.595  11.873  1.000 10.079 0 123 ASN A CA  1 ? 
ATOM   900  C  C   . ASN A 1 123 ? 10.911  11.462  12.773  1.000 10.406 0 123 ASN A C   1 ? 
ATOM   901  O  O   . ASN A 1 123 ? 10.041  10.854  13.396  1.000 9.431  0 123 ASN A O   1 ? 
ATOM   902  C  CB  . ASN A 1 123 ? 10.125  13.850  12.692  1.000 10.428 0 123 ASN A CB  1 ? 
ATOM   903  C  CG  . ASN A 1 123 ? 11.317  14.553  13.306  1.000 11.726 0 123 ASN A CG  1 ? 
ATOM   904  O  OD1 . ASN A 1 123 ? 12.453  14.107  13.174  1.000 12.261 0 123 ASN A OD1 1 ? 
ATOM   905  N  ND2 . ASN A 1 123 ? 11.020  15.678  13.935  1.000 14.094 0 123 ASN A ND2 1 ? 
ATOM   906  N  N   . THR A 1 124 ? 12.238  11.249  12.869  1.000 10.382 0 124 THR A N   1 ? 
ATOM   907  C  CA  . THR A 1 124 ? 12.772  10.202  13.721  1.000 11.164 0 124 THR A CA  1 ? 
ATOM   908  C  C   . THR A 1 124 ? 13.431  10.781  14.967  1.000 13.273 0 124 THR A C   1 ? 
ATOM   909  O  O   . THR A 1 124 ? 14.002  10.009  15.743  1.000 14.544 0 124 THR A O   1 ? 
ATOM   910  C  CB  . THR A 1 124 ? 13.787  9.322   12.990  1.000 10.506 0 124 THR A CB  1 ? 
ATOM   911  O  OG1 . THR A 1 124 ? 14.911  10.097  12.563  1.000 11.006 0 124 THR A OG1 1 ? 
ATOM   912  C  CG2 . THR A 1 124 ? 13.189  8.633   11.797  1.000 10.256 0 124 THR A CG2 1 ? 
ATOM   913  N  N   . LYS A 1 125 ? 13.348  12.088  15.154  1.000 15.472 0 125 LYS A N   1 ? 
ATOM   914  C  CA  . LYS A 1 125 ? 13.945  12.649  16.355  1.000 18.162 0 125 LYS A CA  1 ? 
ATOM   915  C  C   . LYS A 1 125 ? 12.880  13.203  17.284  1.000 19.100 0 125 LYS A C   1 ? 
ATOM   916  O  O   . LYS A 1 125 ? 11.960  13.907  16.854  1.000 19.121 0 125 LYS A O   1 ? 
ATOM   917  C  CB  . LYS A 1 125 ? 14.876  13.802  16.016  1.000 19.299 0 125 LYS A CB  1 ? 
ATOM   918  C  CG  . LYS A 1 125 ? 15.942  13.463  14.997  1.000 22.771 0 125 LYS A CG  1 ? 
ATOM   919  C  CD  . LYS A 1 125 ? 16.872  12.403  15.459  1.000 26.460 0 125 LYS A CD  1 ? 
ATOM   920  C  CE  . LYS A 1 125 ? 18.294  12.915  15.527  1.000 32.571 0 125 LYS A CE  1 ? 
ATOM   921  N  NZ  . LYS A 1 125 ? 19.243  11.781  15.579  1.000 34.033 0 125 LYS A NZ  1 ? 
ATOM   922  N  N   . SER A 1 126 ? 13.054  12.950  18.586  1.000 27.760 0 126 SER A N   1 ? 
ATOM   923  C  CA  . SER A 1 126 ? 12.470  13.812  19.609  1.000 31.602 0 126 SER A CA  1 ? 
ATOM   924  C  C   . SER A 1 126 ? 13.461  14.956  19.825  1.000 39.595 0 126 SER A C   1 ? 
ATOM   925  O  O   . SER A 1 126 ? 14.663  14.715  19.920  1.000 49.406 0 126 SER A O   1 ? 
ATOM   926  C  CB  . SER A 1 126 ? 12.221  13.072  20.886  1.000 31.833 0 126 SER A CB  1 ? 
ATOM   927  O  OG  . SER A 1 126 ? 13.456  12.806  21.521  1.000 32.580 0 126 SER A OG  1 ? 
ATOM   928  N  N   . SER A 1 127 ? 13.008  16.205  19.807  1.000 45.029 0 127 SER A N   1 ? 
ATOM   929  C  CA  . SER A 1 127 ? 13.960  17.314  19.789  1.000 47.782 0 127 SER A CA  1 ? 
ATOM   930  C  C   . SER A 1 127 ? 14.898  17.220  18.568  1.000 44.051 0 127 SER A C   1 ? 
ATOM   931  O  O   . SER A 1 127 ? 15.790  16.371  18.497  1.000 49.781 0 127 SER A O   1 ? 
ATOM   932  C  CB  . SER A 1 127 ? 14.747  17.390  21.107  1.000 50.473 0 127 SER A CB  1 ? 
ATOM   933  O  OG  . SER A 1 127 ? 16.008  16.730  21.034  1.000 51.015 0 127 SER A OG  1 ? 
ATOM   934  N  N   . GLY A 1 128 ? 14.724  18.150  17.627  1.000 35.007 0 128 GLY A N   1 ? 
ATOM   935  C  CA  . GLY A 1 128 ? 15.461  18.154  16.375  1.000 29.690 0 128 GLY A CA  1 ? 
ATOM   936  C  C   . GLY A 1 128 ? 14.610  17.498  15.290  1.000 26.794 0 128 GLY A C   1 ? 
ATOM   937  O  O   . GLY A 1 128 ? 13.493  17.085  15.578  1.000 21.211 0 128 GLY A O   1 ? 
ATOM   938  N  N   . THR A 1 129 ? 15.163  17.422  14.072  1.000 22.175 0 129 THR A N   1 ? 
ATOM   939  C  CA  . THR A 1 129 ? 14.408  16.994  12.903  1.000 19.379 0 129 THR A CA  1 ? 
ATOM   940  C  C   . THR A 1 129 ? 15.313  16.124  12.036  1.000 17.927 0 129 THR A C   1 ? 
ATOM   941  O  O   . THR A 1 129 ? 16.412  16.543  11.685  1.000 17.400 0 129 THR A O   1 ? 
ATOM   942  C  CB  . THR A 1 129 ? 13.884  18.201  12.116  1.000 26.537 0 129 THR A CB  1 ? 
ATOM   943  O  OG1 . THR A 1 129 ? 13.131  19.034  12.996  1.000 31.825 0 129 THR A OG1 1 ? 
ATOM   944  C  CG2 . THR A 1 129 ? 12.962  17.797  10.996  1.000 28.146 0 129 THR A CG2 1 ? 
ATOM   945  N  N   . SER A 1 130 ? 14.832  14.930  11.689  1.000 14.297 0 130 SER A N   1 ? 
ATOM   946  C  CA  . SER A 1 130 ? 15.490  14.115  10.693  1.000 14.311 0 130 SER A CA  1 ? 
ATOM   947  C  C   . SER A 1 130 ? 14.437  13.204  10.068  1.000 13.201 0 130 SER A C   1 ? 
ATOM   948  O  O   . SER A 1 130 ? 13.784  12.432  10.760  1.000 13.106 0 130 SER A O   1 ? 
ATOM   949  C  CB  . SER A 1 130 ? 16.627  13.307  11.260  1.000 15.432 0 130 SER A CB  1 ? 
ATOM   950  O  OG  . SER A 1 130 ? 17.241  12.511  10.257  1.000 15.078 0 130 SER A OG  1 ? 
ATOM   951  N  N   . TYR A 1 131 ? 14.230  13.365  8.774   1.000 12.261 0 131 TYR A N   1 ? 
ATOM   952  C  CA  . TYR A 1 131 ? 13.216  12.586  8.091   1.000 11.716 0 131 TYR A CA  1 ? 
ATOM   953  C  C   . TYR A 1 131 ? 13.874  11.478  7.282   1.000 12.845 0 131 TYR A C   1 ? 
ATOM   954  O  O   . TYR A 1 131 ? 14.790  11.784  6.487   1.000 15.085 0 131 TYR A O   1 ? 
ATOM   955  C  CB  . TYR A 1 131 ? 12.396  13.512  7.184   1.000 12.568 0 131 TYR A CB  1 ? 
ATOM   956  C  CG  . TYR A 1 131 ? 11.459  14.436  7.908   1.000 13.645 0 131 TYR A CG  1 ? 
ATOM   957  C  CD1 . TYR A 1 131 ? 11.873  15.615  8.516   1.000 14.406 0 131 TYR A CD1 1 ? 
ATOM   958  C  CD2 . TYR A 1 131 ? 10.147  14.036  8.105   1.000 16.203 0 131 TYR A CD2 1 ? 
ATOM   959  C  CE1 . TYR A 1 131 ? 10.958  16.413  9.193   1.000 16.755 0 131 TYR A CE1 1 ? 
ATOM   960  C  CE2 . TYR A 1 131 ? 9.240   14.811  8.799   1.000 17.125 0 131 TYR A CE2 1 ? 
ATOM   961  C  CZ  . TYR A 1 131 ? 9.651   15.994  9.363   1.000 18.777 0 131 TYR A CZ  1 ? 
ATOM   962  O  OH  . TYR A 1 131 ? 8.725   16.749  10.036  1.000 23.106 0 131 TYR A OH  1 ? 
ATOM   963  N  N   . PRO A 1 132 ? 13.435  10.208  7.467   1.000 12.960 0 132 PRO A N   1 ? 
ATOM   964  C  CA  . PRO A 1 132 ? 14.027  9.052   6.839   1.000 13.862 0 132 PRO A CA  1 ? 
ATOM   965  C  C   . PRO A 1 132 ? 13.530  8.956   5.397   1.000 13.338 0 132 PRO A C   1 ? 
ATOM   966  O  O   . PRO A 1 132 ? 12.483  9.503   5.034   1.000 15.294 0 132 PRO A O   1 ? 
ATOM   967  C  CB  . PRO A 1 132 ? 13.466  7.845   7.598   1.000 12.836 0 132 PRO A CB  1 ? 
ATOM   968  C  CG  . PRO A 1 132 ? 12.094  8.336   8.020   1.000 13.428 0 132 PRO A CG  1 ? 
ATOM   969  C  CD  . PRO A 1 132 ? 12.280  9.811   8.302   1.000 13.343 0 132 PRO A CD  1 ? 
ATOM   970  N  N   . ASP A 1 133 ? 14.307  8.237   4.615   1.000 13.993 0 133 ASP A N   1 ? 
ATOM   971  C  CA  . ASP A 1 133 ? 13.948  7.933   3.242   1.000 14.697 0 133 ASP A CA  1 ? 
ATOM   972  C  C   . ASP A 1 133 ? 13.202  6.605   3.132   1.000 13.489 0 133 ASP A C   1 ? 
ATOM   973  O  O   . ASP A 1 133 ? 12.246  6.507   2.374   1.000 10.908 0 133 ASP A O   1 ? 
ATOM   974  C  CB  . ASP A 1 133 ? 15.160  8.034   2.325   1.000 15.067 0 133 ASP A CB  1 ? 
ATOM   975  C  CG  . ASP A 1 133 ? 15.798  9.408   2.361   1.000 16.828 0 133 ASP A CG  1 ? 
ATOM   976  O  OD1 . ASP A 1 133 ? 15.060  10.437  2.206   1.000 16.665 0 133 ASP A OD1 1 ? 
ATOM   977  O  OD2 . ASP A 1 133 ? 17.057  9.461   2.650   1.000 18.756 0 133 ASP A OD2 1 ? 
ATOM   978  N  N   . VAL A 1 134 ? 13.572  5.620   3.947   1.000 13.190 0 134 VAL A N   1 ? 
ATOM   979  C  CA  . VAL A 1 134 ? 12.916  4.327   3.992   1.000 12.473 0 134 VAL A CA  1 ? 
ATOM   980  C  C   . VAL A 1 134 ? 11.907  4.233   5.135   1.000 12.344 0 134 VAL A C   1 ? 
ATOM   981  O  O   . VAL A 1 134 ? 11.935  5.011   6.091   1.000 10.798 0 134 VAL A O   1 ? 
ATOM   982  C  CB  . VAL A 1 134 ? 13.922  3.160   4.115   1.000 13.160 0 134 VAL A CB  1 ? 
ATOM   983  C  CG1 . VAL A 1 134 ? 14.978  3.157   3.007   1.000 14.044 0 134 VAL A CG1 1 ? 
ATOM   984  C  CG2 . VAL A 1 134 ? 14.609  3.148   5.470   1.000 13.723 0 134 VAL A CG2 1 ? 
ATOM   985  N  N   . LEU A 1 135 ? 10.966  3.317   4.972   1.000 11.959 0 135 LEU A N   1 ? 
ATOM   986  C  CA  . LEU A 1 135 ? 9.827   3.227   5.868   1.000 10.968 0 135 LEU A CA  1 ? 
ATOM   987  C  C   . LEU A 1 135 ? 10.269  2.724   7.233   1.000 11.678 0 135 LEU A C   1 ? 
ATOM   988  O  O   . LEU A 1 135 ? 10.998  1.724   7.313   1.000 11.130 0 135 LEU A O   1 ? 
ATOM   989  C  CB  . LEU A 1 135 ? 8.767   2.290   5.288   1.000 11.581 0 135 LEU A CB  1 ? 
ATOM   990  C  CG  . LEU A 1 135 ? 7.462   2.203   6.072   1.000 11.321 0 135 LEU A CG  1 ? 
ATOM   991  C  CD1 . LEU A 1 135 ? 6.763   3.569   6.074   1.000 10.690 0 135 LEU A CD1 1 ? 
ATOM   992  C  CD2 . LEU A 1 135 ? 6.581   1.110   5.465   1.000 11.310 0 135 LEU A CD2 1 ? 
ATOM   993  N  N   . LYS A 1 136 ? 9.815   3.409   8.271   1.000 9.768  0 136 LYS A N   1 ? 
ATOM   994  C  CA  . LYS A 1 136 ? 10.107  3.012   9.645   1.000 9.347  0 136 LYS A CA  1 ? 
ATOM   995  C  C   . LYS A 1 136 ? 8.860   2.482   10.318  1.000 9.826  0 136 LYS A C   1 ? 
ATOM   996  O  O   . LYS A 1 136 ? 7.733   2.799   9.949   1.000 9.736  0 136 LYS A O   1 ? 
ATOM   997  C  CB  . LYS A 1 136 ? 10.613  4.199   10.445  1.000 10.057 0 136 LYS A CB  1 ? 
ATOM   998  C  CG  . LYS A 1 136 ? 11.914  4.794   9.914   1.000 11.118 0 136 LYS A CG  1 ? 
ATOM   999  C  CD  . LYS A 1 136 ? 13.153  3.954   10.232  1.000 13.081 0 136 LYS A CD  1 ? 
ATOM   1000 C  CE  . LYS A 1 136 ? 14.444  4.502   9.674   1.000 15.973 0 136 LYS A CE  1 ? 
ATOM   1001 N  NZ  . LYS A 1 136 ? 15.528  3.657   10.262  1.000 17.450 0 136 LYS A NZ  1 ? 
ATOM   1002 N  N   . CYS A 1 137 ? 9.110   1.650   11.335  1.000 9.480  0 137 CYS A N   1 ? 
ATOM   1003 C  CA  . CYS A 1 137 ? 8.118   0.880   12.034  1.000 10.060 0 137 CYS A CA  1 ? 
ATOM   1004 C  C   . CYS A 1 137 ? 8.359   1.003   13.545  1.000 8.904  0 137 CYS A C   1 ? 
ATOM   1005 O  O   . CYS A 1 137 ? 9.494   1.213   13.989  1.000 9.685  0 137 CYS A O   1 ? 
ATOM   1006 C  CB  . CYS A 1 137 ? 8.249   -0.609  11.647  1.000 9.638  0 137 CYS A CB  1 ? 
ATOM   1007 S  SG  . CYS A 1 137 ? 7.407   -1.081  10.109  1.000 9.716  0 137 CYS A SG  1 ? 
ATOM   1008 N  N   . LEU A 1 138 ? 7.294   0.815   14.310  1.000 10.121 0 138 LEU A N   1 ? 
ATOM   1009 C  CA  . LEU A 1 138 ? 7.345   0.822   15.759  1.000 9.684  0 138 LEU A CA  1 ? 
ATOM   1010 C  C   . LEU A 1 138 ? 6.249   -0.092  16.295  1.000 11.348 0 138 LEU A C   1 ? 
ATOM   1011 O  O   . LEU A 1 138 ? 5.100   -0.054  15.829  1.000 10.677 0 138 LEU A O   1 ? 
ATOM   1012 C  CB  . LEU A 1 138 ? 7.147   2.260   16.256  1.000 9.869  0 138 LEU A CB  1 ? 
ATOM   1013 C  CG  . LEU A 1 138 ? 6.953   2.443   17.763  1.000 10.957 0 138 LEU A CG  1 ? 
ATOM   1014 C  CD1 . LEU A 1 138 ? 8.276   2.210   18.514  1.000 11.775 0 138 LEU A CD1 1 ? 
ATOM   1015 C  CD2 . LEU A 1 138 ? 6.416   3.821   18.109  1.000 11.776 0 138 LEU A CD2 1 ? 
ATOM   1016 N  N   . LYS A 1 139 ? 6.569   -0.911  17.294  1.000 11.333 0 139 LYS A N   1 ? 
ATOM   1017 C  CA  . LYS A 1 139 ? 5.561   -1.705  17.979  1.000 12.559 0 139 LYS A CA  1 ? 
ATOM   1018 C  C   . LYS A 1 139 ? 5.270   -0.990  19.287  1.000 11.505 0 139 LYS A C   1 ? 
ATOM   1019 O  O   . LYS A 1 139 ? 6.170   -0.539  19.990  1.000 12.901 0 139 LYS A O   1 ? 
ATOM   1020 C  CB  . LYS A 1 139 ? 6.079   -3.150  18.121  1.000 14.865 0 139 LYS A CB  1 ? 
ATOM   1021 C  CG  . LYS A 1 139 ? 5.694   -3.955  16.881  1.000 19.797 0 139 LYS A CG  1 ? 
ATOM   1022 C  CD  . LYS A 1 139 ? 6.364   -5.221  16.785  1.000 26.277 0 139 LYS A CD  1 ? 
ATOM   1023 C  CE  . LYS A 1 139 ? 5.791   -6.030  15.649  1.000 24.949 0 139 LYS A CE  1 ? 
ATOM   1024 N  NZ  . LYS A 1 139 ? 6.074   -7.438  15.941  1.000 25.617 0 139 LYS A NZ  1 ? 
ATOM   1025 N  N   . ALA A 1 140 ? 3.973   -0.741  19.509  1.000 11.293 0 140 ALA A N   1 ? 
ATOM   1026 C  CA  . ALA A 1 140 ? 3.536   0.096   20.598  1.000 12.332 0 140 ALA A CA  1 ? 
ATOM   1027 C  C   . ALA A 1 140 ? 2.215   -0.451  21.091  1.000 11.930 0 140 ALA A C   1 ? 
ATOM   1028 O  O   . ALA A 1 140 ? 1.348   -0.843  20.306  1.000 12.255 0 140 ALA A O   1 ? 
ATOM   1029 C  CB  . ALA A 1 140 ? 3.402   1.543   20.176  1.000 12.724 0 140 ALA A CB  1 ? 
ATOM   1030 N  N   . PRO A 1 141 ? 2.019   -0.458  22.413  1.000 11.981 0 141 PRO A N   1 ? 
ATOM   1031 C  CA  . PRO A 1 141 ? 0.779   -0.928  23.006  1.000 12.656 0 141 PRO A CA  1 ? 
ATOM   1032 C  C   . PRO A 1 141 ? -0.260  0.177   23.101  1.000 12.857 0 141 PRO A C   1 ? 
ATOM   1033 O  O   . PRO A 1 141 ? 0.086   1.340   23.369  1.000 12.979 0 141 PRO A O   1 ? 
ATOM   1034 C  CB  . PRO A 1 141 ? 1.214   -1.364  24.403  1.000 12.427 0 141 PRO A CB  1 ? 
ATOM   1035 C  CG  . PRO A 1 141 ? 2.349   -0.423  24.757  1.000 12.983 0 141 PRO A CG  1 ? 
ATOM   1036 C  CD  . PRO A 1 141 ? 3.011   -0.072  23.432  1.000 12.759 0 141 PRO A CD  1 ? 
ATOM   1037 N  N   . ILE A 1 142 ? -1.518  -0.227  22.945  1.000 12.664 0 142 ILE A N   1 ? 
ATOM   1038 C  CA  . ILE A 1 142 ? -2.641  0.642   23.256  1.000 13.651 0 142 ILE A CA  1 ? 
ATOM   1039 C  C   . ILE A 1 142 ? -2.679  0.894   24.768  1.000 14.832 0 142 ILE A C   1 ? 
ATOM   1040 O  O   . ILE A 1 142 ? -2.567  -0.047  25.574  1.000 15.201 0 142 ILE A O   1 ? 
ATOM   1041 C  CB  . ILE A 1 142 ? -3.972  0.070   22.732  1.000 13.926 0 142 ILE A CB  1 ? 
ATOM   1042 C  CG1 . ILE A 1 142 ? -3.960  -0.044  21.200  1.000 15.522 0 142 ILE A CG1 1 ? 
ATOM   1043 C  CG2 . ILE A 1 142 ? -5.137  0.917   23.210  1.000 14.384 0 142 ILE A CG2 1 ? 
ATOM   1044 C  CD1 . ILE A 1 142 ? -5.133  -0.810  20.626  1.000 17.109 0 142 ILE A CD1 1 ? 
ATOM   1045 N  N   . LEU A 1 143 ? -2.792  2.166   25.142  1.000 14.884 0 143 LEU A N   1 ? 
ATOM   1046 C  CA  . LEU A 1 143 ? -2.857  2.540   26.553  1.000 15.616 0 143 LEU A CA  1 ? 
ATOM   1047 C  C   . LEU A 1 143 ? -4.309  2.572   27.002  1.000 16.984 0 143 LEU A C   1 ? 
ATOM   1048 O  O   . LEU A 1 143 ? -5.252  2.680   26.200  1.000 16.483 0 143 LEU A O   1 ? 
ATOM   1049 C  CB  . LEU A 1 143 ? -2.153  3.887   26.791  1.000 16.286 0 143 LEU A CB  1 ? 
ATOM   1050 C  CG  . LEU A 1 143 ? -0.670  3.931   26.407  1.000 17.891 0 143 LEU A CG  1 ? 
ATOM   1051 C  CD1 . LEU A 1 143 ? -0.099  5.326   26.526  1.000 18.535 0 143 LEU A CD1 1 ? 
ATOM   1052 C  CD2 . LEU A 1 143 ? 0.169   2.980   27.267  1.000 19.948 0 143 LEU A CD2 1 ? 
ATOM   1053 N  N   . SER A 1 144 ? -4.489  2.460   28.323  1.000 20.093 0 144 SER A N   1 ? 
ATOM   1054 C  CA  . SER A 1 144 ? -5.811  2.542   28.909  1.000 21.581 0 144 SER A CA  1 ? 
ATOM   1055 C  C   . SER A 1 144 ? -6.424  3.913   28.644  1.000 23.189 0 144 SER A C   1 ? 
ATOM   1056 O  O   . SER A 1 144 ? -5.702  4.911   28.599  1.000 20.290 0 144 SER A O   1 ? 
ATOM   1057 C  CB  . SER A 1 144 ? -5.753  2.302   30.409  1.000 22.692 0 144 SER A CB  1 ? 
ATOM   1058 O  OG  . SER A 1 144 ? -4.915  3.270   31.041  1.000 21.128 0 144 SER A OG  1 ? 
ATOM   1059 N  N   . ASP A 1 145 ? -7.759  3.920   28.555  1.000 24.373 0 145 ASP A N   1 ? 
ATOM   1060 C  CA  . ASP A 1 145 ? -8.536  5.136   28.400  1.000 28.066 0 145 ASP A CA  1 ? 
ATOM   1061 C  C   . ASP A 1 145 ? -8.264  6.076   29.560  1.000 27.991 0 145 ASP A C   1 ? 
ATOM   1062 O  O   . ASP A 1 145 ? -8.131  7.283   29.366  1.000 26.290 0 145 ASP A O   1 ? 
ATOM   1063 C  CB  . ASP A 1 145 ? -10.030 4.857   28.294  1.000 33.729 0 145 ASP A CB  1 ? 
ATOM   1064 C  CG  . ASP A 1 145 ? -10.377 4.203   26.967  1.000 43.913 0 145 ASP A CG  1 ? 
ATOM   1065 O  OD1 . ASP A 1 145 ? -9.748  4.604   25.933  1.000 46.628 0 145 ASP A OD1 1 ? 
ATOM   1066 O  OD2 . ASP A 1 145 ? -11.270 3.313   26.969  1.000 52.044 0 145 ASP A OD2 1 ? 
ATOM   1067 N  N   . SER A 1 146 ? -8.150  5.535   30.775  1.000 27.420 0 146 SER A N   1 ? 
ATOM   1068 C  CA  . SER A 1 146 ? -7.895  6.423   31.892  1.000 25.745 0 146 SER A CA  1 ? 
ATOM   1069 C  C   . SER A 1 146 ? -6.514  7.074   31.769  1.000 22.298 0 146 SER A C   1 ? 
ATOM   1070 O  O   . SER A 1 146 ? -6.387  8.248   32.073  1.000 20.485 0 146 SER A O   1 ? 
ATOM   1071 C  CB  . SER A 1 146 ? -8.134  5.724   33.232  1.000 30.318 0 146 SER A CB  1 ? 
ATOM   1072 O  OG  . SER A 1 146 ? -7.055  4.851   33.552  1.000 36.703 0 146 SER A OG  1 ? 
ATOM   1073 N  N   . SER A 1 147 ? -5.452  6.359   31.384  1.000 20.592 0 147 SER A N   1 ? 
ATOM   1074 C  CA  . SER A 1 147 ? -4.146  6.999   31.318  1.000 20.270 0 147 SER A CA  1 ? 
ATOM   1075 C  C   . SER A 1 147 ? -4.135  8.018   30.161  1.000 18.576 0 147 SER A C   1 ? 
ATOM   1076 O  O   . SER A 1 147 ? -3.447  9.019   30.256  1.000 20.271 0 147 SER A O   1 ? 
ATOM   1077 C  CB  . SER A 1 147 ? -2.968  6.036   31.251  1.000 23.062 0 147 SER A CB  1 ? 
ATOM   1078 O  OG  . SER A 1 147 ? -2.780  5.491   29.964  1.000 27.006 0 147 SER A OG  1 ? 
ATOM   1079 N  N   . CYS A 1 148 ? -4.909  7.749   29.112  1.000 17.688 0 148 CYS A N   1 ? 
ATOM   1080 C  CA  . CYS A 1 148 ? -4.989  8.632   27.954  1.000 15.733 0 148 CYS A CA  1 ? 
ATOM   1081 C  C   . CYS A 1 148 ? -5.635  9.960   28.362  1.000 16.886 0 148 CYS A C   1 ? 
ATOM   1082 O  O   . CYS A 1 148 ? -5.083  11.043  28.093  1.000 15.299 0 148 CYS A O   1 ? 
ATOM   1083 C  CB  . CYS A 1 148 ? -5.752  7.906   26.850  1.000 16.763 0 148 CYS A CB  1 ? 
ATOM   1084 S  SG  . CYS A 1 148 ? -5.726  8.741   25.236  1.000 14.604 0 148 CYS A SG  1 ? 
ATOM   1085 N  N   . LYS A 1 149 ? -6.781  9.865   29.053  1.000 18.353 0 149 LYS A N   1 ? 
ATOM   1086 C  CA  . LYS A 1 149 ? -7.489  11.052  29.520  1.000 20.003 0 149 LYS A CA  1 ? 
ATOM   1087 C  C   . LYS A 1 149 ? -6.660  11.831  30.548  1.000 19.646 0 149 LYS A C   1 ? 
ATOM   1088 O  O   . LYS A 1 149 ? -6.643  13.064  30.527  1.000 18.826 0 149 LYS A O   1 ? 
ATOM   1089 C  CB  . LYS A 1 149 ? -8.875  10.669  30.048  1.000 21.517 0 149 LYS A CB  1 ? 
ATOM   1090 C  CG  . LYS A 1 149 ? -9.784  10.075  28.983  1.000 26.547 0 149 LYS A CG  1 ? 
ATOM   1091 C  CD  . LYS A 1 149 ? -11.227 9.872   29.400  1.000 33.870 0 149 LYS A CD  1 ? 
ATOM   1092 C  CE  . LYS A 1 149 ? -11.922 11.206  29.620  1.000 42.224 0 149 LYS A CE  1 ? 
ATOM   1093 N  NZ  . LYS A 1 149 ? -13.317 11.209  29.105  1.000 48.412 0 149 LYS A NZ  1 ? 
ATOM   1094 N  N   . SER A 1 150 ? -5.916  11.150  31.424  1.000 19.512 0 150 SER A N   1 ? 
ATOM   1095 C  CA  . SER A 1 150 ? -5.038  11.848  32.360  1.000 20.577 0 150 SER A CA  1 ? 
ATOM   1096 C  C   . SER A 1 150 ? -3.932  12.609  31.638  1.000 19.069 0 150 SER A C   1 ? 
ATOM   1097 O  O   . SER A 1 150 ? -3.500  13.658  32.092  1.000 20.555 0 150 SER A O   1 ? 
ATOM   1098 C  CB  . SER A 1 150 ? -4.452  10.916  33.406  1.000 24.904 0 150 SER A CB  1 ? 
ATOM   1099 O  OG  . SER A 1 150 ? -5.504  10.310  34.137  1.000 31.391 0 150 SER A OG  1 ? 
ATOM   1100 N  N   . ALA A 1 151 ? -3.390  12.023  30.566  1.000 17.265 0 151 ALA A N   1 ? 
ATOM   1101 C  CA  . ALA A 1 151 ? -2.326  12.658  29.795  1.000 15.782 0 151 ALA A CA  1 ? 
ATOM   1102 C  C   . ALA A 1 151 ? -2.779  13.932  29.068  1.000 14.014 0 151 ALA A C   1 ? 
ATOM   1103 O  O   . ALA A 1 151 ? -1.989  14.873  28.957  1.000 16.264 0 151 ALA A O   1 ? 
ATOM   1104 C  CB  . ALA A 1 151 ? -1.765  11.654  28.808  1.000 15.193 0 151 ALA A CB  1 ? 
ATOM   1105 N  N   . TYR A 1 152 ? -4.020  13.933  28.561  1.000 14.193 0 152 TYR A N   1 ? 
ATOM   1106 C  CA  . TYR A 1 152 ? -4.585  15.045  27.823  1.000 13.980 0 152 TYR A CA  1 ? 
ATOM   1107 C  C   . TYR A 1 152 ? -5.946  15.440  28.377  1.000 14.085 0 152 TYR A C   1 ? 
ATOM   1108 O  O   . TYR A 1 152 ? -6.999  15.188  27.775  1.000 14.373 0 152 TYR A O   1 ? 
ATOM   1109 C  CB  . TYR A 1 152 ? -4.678  14.683  26.331  1.000 13.210 0 152 TYR A CB  1 ? 
ATOM   1110 C  CG  . TYR A 1 152 ? -3.344  14.330  25.689  1.000 13.310 0 152 TYR A CG  1 ? 
ATOM   1111 C  CD1 . TYR A 1 152 ? -2.436  15.340  25.417  1.000 13.697 0 152 TYR A CD1 1 ? 
ATOM   1112 C  CD2 . TYR A 1 152 ? -2.963  13.025  25.347  1.000 12.092 0 152 TYR A CD2 1 ? 
ATOM   1113 C  CE1 . TYR A 1 152 ? -1.188  15.083  24.843  1.000 14.387 0 152 TYR A CE1 1 ? 
ATOM   1114 C  CE2 . TYR A 1 152 ? -1.706  12.755  24.787  1.000 11.933 0 152 TYR A CE2 1 ? 
ATOM   1115 C  CZ  . TYR A 1 152 ? -0.842  13.788  24.462  1.000 12.505 0 152 TYR A CZ  1 ? 
ATOM   1116 O  OH  . TYR A 1 152 ? 0.397   13.596  23.862  1.000 12.477 0 152 TYR A OH  1 ? 
ATOM   1117 N  N   . PRO A 1 153 ? -5.969  16.080  29.560  1.000 15.367 0 153 PRO A N   1 ? 
ATOM   1118 C  CA  . PRO A 1 153 ? -7.247  16.369  30.206  1.000 15.763 0 153 PRO A CA  1 ? 
ATOM   1119 C  C   . PRO A 1 153 ? -8.160  17.254  29.354  1.000 14.214 0 153 PRO A C   1 ? 
ATOM   1120 O  O   . PRO A 1 153 ? -7.745  18.262  28.804  1.000 16.381 0 153 PRO A O   1 ? 
ATOM   1121 C  CB  . PRO A 1 153 ? -6.848  17.034  31.517  1.000 16.617 0 153 PRO A CB  1 ? 
ATOM   1122 C  CG  . PRO A 1 153 ? -5.320  16.972  31.630  1.000 17.236 0 153 PRO A CG  1 ? 
ATOM   1123 C  CD  . PRO A 1 153 ? -4.783  16.482  30.309  1.000 16.117 0 153 PRO A CD  1 ? 
ATOM   1124 N  N   . GLY A 1 154 ? -9.417  16.832  29.233  1.000 13.929 0 154 GLY A N   1 ? 
ATOM   1125 C  CA  . GLY A 1 154 ? -10.426 17.558  28.496  1.000 15.173 0 154 GLY A CA  1 ? 
ATOM   1126 C  C   . GLY A 1 154 ? -10.391 17.356  26.978  1.000 15.979 0 154 GLY A C   1 ? 
ATOM   1127 O  O   . GLY A 1 154 ? -11.212 17.983  26.315  1.000 21.950 0 154 GLY A O   1 ? 
ATOM   1128 N  N   . GLN A 1 155 ? -9.432  16.583  26.443  1.000 16.416 0 155 GLN A N   1 ? 
ATOM   1129 C  CA  . GLN A 1 155 ? -9.162  16.609  25.005  1.000 15.836 0 155 GLN A CA  1 ? 
ATOM   1130 C  C   . GLN A 1 155 ? -9.395  15.258  24.321  1.000 15.580 0 155 GLN A C   1 ? 
ATOM   1131 O  O   . GLN A 1 155 ? -9.334  15.189  23.081  1.000 14.276 0 155 GLN A O   1 ? 
ATOM   1132 C  CB  . GLN A 1 155 ? -7.728  17.039  24.750  1.000 16.151 0 155 GLN A CB  1 ? 
ATOM   1133 C  CG  . GLN A 1 155 ? -7.410  18.418  25.288  1.000 18.700 0 155 GLN A CG  1 ? 
ATOM   1134 C  CD  . GLN A 1 155 ? -5.939  18.551  25.532  1.000 22.303 0 155 GLN A CD  1 ? 
ATOM   1135 O  OE1 . GLN A 1 155 ? -5.147  18.492  24.604  1.000 22.233 0 155 GLN A OE1 1 ? 
ATOM   1136 N  NE2 . GLN A 1 155 ? -5.548  18.683  26.794  1.000 25.565 0 155 GLN A NE2 1 ? 
ATOM   1137 N  N   . ILE A 1 156 ? -9.617  14.179  25.101  1.000 14.157 0 156 ILE A N   1 ? 
ATOM   1138 C  CA  . ILE A 1 156 ? -9.778  12.845  24.533  1.000 13.677 0 156 ILE A CA  1 ? 
ATOM   1139 C  C   . ILE A 1 156 ? -11.246 12.492  24.414  1.000 15.448 0 156 ILE A C   1 ? 
ATOM   1140 O  O   . ILE A 1 156 ? -11.985 12.548  25.392  1.000 16.482 0 156 ILE A O   1 ? 
ATOM   1141 C  CB  . ILE A 1 156 ? -8.997  11.794  25.354  1.000 13.815 0 156 ILE A CB  1 ? 
ATOM   1142 C  CG1 . ILE A 1 156 ? -7.503  12.113  25.463  1.000 13.866 0 156 ILE A CG1 1 ? 
ATOM   1143 C  CG2 . ILE A 1 156 ? -9.255  10.379  24.864  1.000 14.981 0 156 ILE A CG2 1 ? 
ATOM   1144 C  CD1 . ILE A 1 156 ? -6.739  12.079  24.143  1.000 14.193 0 156 ILE A CD1 1 ? 
ATOM   1145 N  N   . THR A 1 157 ? -11.680 12.180  23.198  1.000 13.036 0 157 THR A N   1 ? 
ATOM   1146 C  CA  . THR A 1 157 ? -13.021 11.726  22.919  1.000 14.194 0 157 THR A CA  1 ? 
ATOM   1147 C  C   . THR A 1 157 ? -13.037 10.200  22.788  1.000 13.931 0 157 THR A C   1 ? 
ATOM   1148 O  O   . THR A 1 157 ? -11.998 9.520   22.736  1.000 13.638 0 157 THR A O   1 ? 
ATOM   1149 C  CB  . THR A 1 157 ? -13.608 12.419  21.681  1.000 13.487 0 157 THR A CB  1 ? 
ATOM   1150 O  OG1 . THR A 1 157 ? -12.996 11.836  20.526  1.000 13.170 0 157 THR A OG1 1 ? 
ATOM   1151 C  CG2 . THR A 1 157 ? -13.397 13.914  21.623  1.000 14.901 0 157 THR A CG2 1 ? 
ATOM   1152 N  N   . SER A 1 158 ? -14.259 9.683   22.713  1.000 15.236 0 158 SER A N   1 ? 
ATOM   1153 C  CA  . SER A 1 158 ? -14.480 8.268   22.517  1.000 15.817 0 158 SER A CA  1 ? 
ATOM   1154 C  C   . SER A 1 158 ? -13.988 7.836   21.146  1.000 13.933 0 158 SER A C   1 ? 
ATOM   1155 O  O   . SER A 1 158 ? -13.865 6.639   20.893  1.000 15.838 0 158 SER A O   1 ? 
ATOM   1156 C  CB  . SER A 1 158 ? -15.938 7.928   22.748  1.000 19.253 0 158 SER A CB  1 ? 
ATOM   1157 O  OG  . SER A 1 158 ? -16.788 8.725   21.937  1.000 23.903 0 158 SER A OG  1 ? 
ATOM   1158 N  N   . ASN A 1 159 ? -13.682 8.794   20.265  1.000 12.278 0 159 ASN A N   1 ? 
ATOM   1159 C  CA  . ASN A 1 159 ? -13.213 8.484   18.920  1.000 11.026 0 159 ASN A CA  1 ? 
ATOM   1160 C  C   . ASN A 1 159 ? -11.678 8.530   18.822  1.000 10.470 0 159 ASN A C   1 ? 
ATOM   1161 O  O   . ASN A 1 159 ? -11.111 8.547   17.718  1.000 10.787 0 159 ASN A O   1 ? 
ATOM   1162 C  CB  . ASN A 1 159 ? -13.794 9.433   17.872  1.000 10.346 0 159 ASN A CB  1 ? 
ATOM   1163 C  CG  . ASN A 1 159 ? -15.311 9.373   17.845  1.000 11.308 0 159 ASN A CG  1 ? 
ATOM   1164 O  OD1 . ASN A 1 159 ? -15.843 8.268   17.767  1.000 14.280 0 159 ASN A OD1 1 ? 
ATOM   1165 N  ND2 . ASN A 1 159 ? -15.975 10.506  17.989  1.000 12.059 0 159 ASN A ND2 1 ? 
ATOM   1166 N  N   . MET A 1 160 ? -10.987 8.453   19.976  1.000 11.194 0 160 MET A N   1 ? 
ATOM   1167 C  CA  . MET A 1 160 ? -9.539  8.541   20.056  1.000 10.775 0 160 MET A CA  1 ? 
ATOM   1168 C  C   . MET A 1 160 ? -9.016  7.511   21.056  1.000 11.556 0 160 MET A C   1 ? 
ATOM   1169 O  O   . MET A 1 160 ? -9.691  7.153   22.007  1.000 12.505 0 160 MET A O   1 ? 
ATOM   1170 C  CB  . MET A 1 160 ? -9.129  9.903   20.592  1.000 11.101 0 160 MET A CB  1 ? 
ATOM   1171 C  CG  . MET A 1 160 ? -9.547  11.091  19.734  1.000 11.036 0 160 MET A CG  1 ? 
ATOM   1172 S  SD  . MET A 1 160 ? -9.208  12.630  20.619  1.000 11.075 0 160 MET A SD  1 ? 
ATOM   1173 C  CE  . MET A 1 160 ? -10.046 13.783  19.525  1.000 11.053 0 160 MET A CE  1 ? 
ATOM   1174 N  N   . PHE A 1 161 ? -7.822  7.002   20.804  1.000 10.179 0 161 PHE A N   1 ? 
ATOM   1175 C  CA  . PHE A 1 161 ? -7.099  6.228   21.804  1.000 10.575 0 161 PHE A CA  1 ? 
ATOM   1176 C  C   . PHE A 1 161 ? -5.641  6.677   21.814  1.000 10.858 0 161 PHE A C   1 ? 
ATOM   1177 O  O   . PHE A 1 161 ? -5.097  7.165   20.824  1.000 11.072 0 161 PHE A O   1 ? 
ATOM   1178 C  CB  . PHE A 1 161 ? -7.236  4.721   21.583  1.000 10.794 0 161 PHE A CB  1 ? 
ATOM   1179 C  CG  . PHE A 1 161 ? -6.582  4.173   20.336  1.000 11.253 0 161 PHE A CG  1 ? 
ATOM   1180 C  CD1 . PHE A 1 161 ? -5.282  3.687   20.358  1.000 12.034 0 161 PHE A CD1 1 ? 
ATOM   1181 C  CD2 . PHE A 1 161 ? -7.274  4.086   19.144  1.000 11.923 0 161 PHE A CD2 1 ? 
ATOM   1182 C  CE1 . PHE A 1 161 ? -4.660  3.187   19.230  1.000 13.637 0 161 PHE A CE1 1 ? 
ATOM   1183 C  CE2 . PHE A 1 161 ? -6.658  3.563   18.007  1.000 12.508 0 161 PHE A CE2 1 ? 
ATOM   1184 C  CZ  . PHE A 1 161 ? -5.379  3.083   18.057  1.000 12.395 0 161 PHE A CZ  1 ? 
ATOM   1185 N  N   . CYS A 1 162 ? -4.971  6.431   22.927  1.000 10.963 0 162 CYS A N   1 ? 
ATOM   1186 C  CA  . CYS A 1 162 ? -3.554  6.651   23.090  1.000 11.289 0 162 CYS A CA  1 ? 
ATOM   1187 C  C   . CYS A 1 162 ? -2.806  5.326   22.915  1.000 10.870 0 162 CYS A C   1 ? 
ATOM   1188 O  O   . CYS A 1 162 ? -3.323  4.277   23.307  1.000 12.140 0 162 CYS A O   1 ? 
ATOM   1189 C  CB  . CYS A 1 162 ? -3.186  7.207   24.471  1.000 11.880 0 162 CYS A CB  1 ? 
ATOM   1190 S  SG  . CYS A 1 162 ? -3.746  8.910   24.779  1.000 13.221 0 162 CYS A SG  1 ? 
ATOM   1191 N  N   . ALA A 1 163 ? -1.608  5.375   22.316  1.000 12.049 0 163 ALA A N   1 ? 
ATOM   1192 C  CA  . ALA A 1 163 ? -0.727  4.226   22.250  1.000 11.376 0 163 ALA A CA  1 ? 
ATOM   1193 C  C   . ALA A 1 163 ? 0.708   4.741   22.369  1.000 12.192 0 163 ALA A C   1 ? 
ATOM   1194 O  O   . ALA A 1 163 ? 1.001   5.891   22.027  1.000 12.464 0 163 ALA A O   1 ? 
ATOM   1195 C  CB  . ALA A 1 163 ? -0.943  3.434   20.972  1.000 11.860 0 163 ALA A CB  1 ? 
ATOM   1196 N  N   . GLY A 1 164 ? 1.596   3.917   22.916  1.000 11.686 0 164 GLY A N   1 ? 
ATOM   1197 C  CA  . GLY A 1 164 ? 2.976   4.312   23.071  1.000 12.776 0 164 GLY A CA  1 ? 
ATOM   1198 C  C   . GLY A 1 164 ? 3.538   3.988   24.458  1.000 12.391 0 164 GLY A C   1 ? 
ATOM   1199 O  O   . GLY A 1 164 ? 3.151   2.997   25.081  1.000 14.230 0 164 GLY A O   1 ? 
ATOM   1200 N  N   . TYR A 1 165 ? 4.418   4.880   24.923  1.000 10.938 0 165 TYR A N   1 ? 
ATOM   1201 C  CA  . TYR A 1 165 ? 5.287   4.627   26.073  1.000 13.037 0 165 TYR A CA  1 ? 
ATOM   1202 C  C   . TYR A 1 165 ? 5.370   5.909   26.897  1.000 12.871 0 165 TYR A C   1 ? 
ATOM   1203 O  O   . TYR A 1 165 ? 5.919   6.912   26.435  1.000 13.281 0 165 TYR A O   1 ? 
ATOM   1204 C  CB  . TYR A 1 165 ? 6.688   4.192   25.626  1.000 12.746 0 165 TYR A CB  1 ? 
ATOM   1205 C  CG  . TYR A 1 165 ? 6.690   2.900   24.846  1.000 13.908 0 165 TYR A CG  1 ? 
ATOM   1206 C  CD1 . TYR A 1 165 ? 6.374   2.867   23.497  1.000 14.513 0 165 TYR A CD1 1 ? 
ATOM   1207 C  CD2 . TYR A 1 165 ? 6.923   1.691   25.475  1.000 16.097 0 165 TYR A CD2 1 ? 
ATOM   1208 C  CE1 . TYR A 1 165 ? 6.362   1.675   22.785  1.000 15.005 0 165 TYR A CE1 1 ? 
ATOM   1209 C  CE2 . TYR A 1 165 ? 6.889   0.501   24.781  1.000 14.881 0 165 TYR A CE2 1 ? 
ATOM   1210 C  CZ  . TYR A 1 165 ? 6.607   0.484   23.431  1.000 15.699 0 165 TYR A CZ  1 ? 
ATOM   1211 O  OH  . TYR A 1 165 ? 6.532   -0.721  22.762  1.000 17.445 0 165 TYR A OH  1 ? 
ATOM   1212 N  N   . LEU A 1 166 ? 4.802   5.884   28.117  1.000 13.511 0 166 LEU A N   1 ? 
ATOM   1213 C  CA  . LEU A 1 166 ? 4.748   7.074   28.962  1.000 14.299 0 166 LEU A CA  1 ? 
ATOM   1214 C  C   . LEU A 1 166 ? 6.127   7.583   29.359  1.000 14.178 0 166 LEU A C   1 ? 
ATOM   1215 O  O   . LEU A 1 166 ? 6.275   8.767   29.643  1.000 15.705 0 166 LEU A O   1 ? 
ATOM   1216 C  CB  . LEU A 1 166 ? 3.873   6.816   30.193  1.000 14.645 0 166 LEU A CB  1 ? 
ATOM   1217 C  CG  . LEU A 1 166 ? 2.393   6.602   29.870  1.000 15.452 0 166 LEU A CG  1 ? 
ATOM   1218 C  CD1 . LEU A 1 166 ? 1.595   6.384   31.146  1.000 18.821 0 166 LEU A CD1 1 ? 
ATOM   1219 C  CD2 . LEU A 1 166 ? 1.765   7.758   29.076  1.000 15.757 0 166 LEU A CD2 1 ? 
ATOM   1220 N  N   . GLU A 1 167 ? 7.132   6.711   29.388  1.000 14.159 0 167 GLU A N   1 ? 
ATOM   1221 C  CA  . GLU A 1 167 ? 8.476   7.094   29.792  1.000 15.571 0 167 GLU A CA  1 ? 
ATOM   1222 C  C   . GLU A 1 167 ? 9.175   7.925   28.723  1.000 15.518 0 167 GLU A C   1 ? 
ATOM   1223 O  O   . GLU A 1 167 ? 10.251  8.473   28.961  1.000 17.188 0 167 GLU A O   1 ? 
ATOM   1224 C  CB  . GLU A 1 167 ? 9.278   5.874   30.232  1.000 15.619 0 167 GLU A CB  1 ? 
ATOM   1225 C  CG  . GLU A 1 167 ? 9.604   4.855   29.161  1.000 17.631 0 167 GLU A CG  1 ? 
ATOM   1226 C  CD  . GLU A 1 167 ? 8.601   3.720   29.029  1.000 19.449 0 167 GLU A CD  1 ? 
ATOM   1227 O  OE1 . GLU A 1 167 ? 9.083   2.563   28.942  1.000 23.943 0 167 GLU A OE1 1 ? 
ATOM   1228 O  OE2 . GLU A 1 167 ? 7.358   3.947   29.073  1.000 17.559 0 167 GLU A OE2 1 ? 
ATOM   1229 N  N   . GLY A 1 168 ? 8.600   7.996   27.502  1.000 14.961 0 168 GLY A N   1 ? 
ATOM   1230 C  CA  . GLY A 1 168 ? 9.228   8.717   26.408  1.000 15.601 0 168 GLY A CA  1 ? 
ATOM   1231 C  C   . GLY A 1 168 ? 10.117  7.802   25.558  1.000 14.518 0 168 GLY A C   1 ? 
ATOM   1232 O  O   . GLY A 1 168 ? 10.439  6.675   25.960  1.000 16.444 0 168 GLY A O   1 ? 
ATOM   1233 N  N   . GLY A 1 169 ? 10.533  8.290   24.394  1.000 13.295 0 169 GLY A N   1 ? 
ATOM   1234 C  CA  . GLY A 1 169 ? 11.577  7.648   23.614  1.000 13.008 0 169 GLY A CA  1 ? 
ATOM   1235 C  C   . GLY A 1 169 ? 11.070  6.907   22.369  1.000 12.323 0 169 GLY A C   1 ? 
ATOM   1236 O  O   . GLY A 1 169 ? 11.873  6.650   21.464  1.000 13.821 0 169 GLY A O   1 ? 
ATOM   1237 N  N   . LYS A 1 170 ? 9.756   6.599   22.331  1.000 12.563 0 170 LYS A N   1 ? 
ATOM   1238 C  CA  . LYS A 1 170 ? 9.174   5.802   21.247  1.000 12.394 0 170 LYS A CA  1 ? 
ATOM   1239 C  C   . LYS A 1 170 ? 7.798   6.336   20.874  1.000 10.829 0 170 LYS A C   1 ? 
ATOM   1240 O  O   . LYS A 1 170 ? 6.922   6.365   21.709  1.000 10.848 0 170 LYS A O   1 ? 
ATOM   1241 C  CB  . LYS A 1 170 ? 9.058   4.331   21.680  1.000 14.710 0 170 LYS A CB  1 ? 
ATOM   1242 C  CG  . LYS A 1 170 ? 10.409  3.612   21.670  1.000 17.185 0 170 LYS A CG  1 ? 
ATOM   1243 C  CD  . LYS A 1 170 ? 10.324  2.098   21.593  1.000 22.817 0 170 LYS A CD  1 ? 
ATOM   1244 C  CE  . LYS A 1 170 ? 10.077  1.372   22.875  1.000 24.122 0 170 LYS A CE  1 ? 
ATOM   1245 N  NZ  . LYS A 1 170 ? 10.519  -0.056  22.737  1.000 20.908 0 170 LYS A NZ  1 ? 
ATOM   1246 N  N   . ASP A 1 171 ? 7.602   6.756   19.618  1.000 10.606 0 171 ASP A N   1 ? 
ATOM   1247 C  CA  . ASP A 1 171 ? 6.360   7.419   19.266  1.000 9.276  0 171 ASP A CA  1 ? 
ATOM   1248 C  C   . ASP A 1 171 ? 6.297   7.575   17.750  1.000 9.186  0 171 ASP A C   1 ? 
ATOM   1249 O  O   . ASP A 1 171 ? 7.292   7.411   17.046  1.000 8.698  0 171 ASP A O   1 ? 
ATOM   1250 C  CB  . ASP A 1 171 ? 6.240   8.799   19.928  1.000 10.029 0 171 ASP A CB  1 ? 
ATOM   1251 C  CG  . ASP A 1 171 ? 4.860   9.449   20.010  1.000 10.496 0 171 ASP A CG  1 ? 
ATOM   1252 O  OD1 . ASP A 1 171 ? 3.858   8.818   19.588  1.000 10.257 0 171 ASP A OD1 1 ? 
ATOM   1253 O  OD2 . ASP A 1 171 ? 4.779   10.617  20.490  1.000 12.201 0 171 ASP A OD2 1 ? 
ATOM   1254 N  N   . SER A 1 172 ? 5.075   7.836   17.233  1.000 8.845  0 172 SER A N   1 ? 
ATOM   1255 C  CA  . SER A 1 172 ? 4.956   8.414   15.909  1.000 8.982  0 172 SER A CA  1 ? 
ATOM   1256 C  C   . SER A 1 172 ? 5.153   9.922   15.993  1.000 9.941  0 172 SER A C   1 ? 
ATOM   1257 O  O   . SER A 1 172 ? 5.305   10.468  17.100  1.000 10.136 0 172 SER A O   1 ? 
ATOM   1258 C  CB  . SER A 1 172 ? 3.665   8.046   15.235  1.000 8.477  0 172 SER A CB  1 ? 
ATOM   1259 O  OG  . SER A 1 172 ? 2.570   8.509   16.008  1.000 8.821  0 172 SER A OG  1 ? 
ATOM   1260 N  N   . CYS A 1 173 ? 5.212   10.592  14.825  1.000 9.119  0 173 CYS A N   1 ? 
ATOM   1261 C  CA  . CYS A 1 173 ? 5.607   11.996  14.818  1.000 9.834  0 173 CYS A CA  1 ? 
ATOM   1262 C  C   . CYS A 1 173 ? 5.117   12.673  13.548  1.000 10.638 0 173 CYS A C   1 ? 
ATOM   1263 O  O   . CYS A 1 173 ? 4.556   12.024  12.693  1.000 10.344 0 173 CYS A O   1 ? 
ATOM   1264 C  CB  . CYS A 1 173 ? 7.130   12.099  14.974  1.000 10.920 0 173 CYS A CB  1 ? 
ATOM   1265 S  SG  . CYS A 1 173 ? 7.774   13.715  15.516  1.000 12.193 0 173 CYS A SG  1 ? 
ATOM   1266 N  N   . GLN A 1 174 ? 5.401   13.971  13.389  1.000 10.711 0 174 GLN A N   1 ? 
ATOM   1267 C  CA  . GLN A 1 174 ? 5.028   14.687  12.167  1.000 11.607 0 174 GLN A CA  1 ? 
ATOM   1268 C  C   . GLN A 1 174 ? 5.558   13.952  10.935  1.000 10.383 0 174 GLN A C   1 ? 
ATOM   1269 O  O   . GLN A 1 174 ? 6.693   13.489  10.920  1.000 10.278 0 174 GLN A O   1 ? 
ATOM   1270 C  CB  . GLN A 1 174 ? 5.618   16.100  12.172  1.000 13.473 0 174 GLN A CB  1 ? 
ATOM   1271 C  CG  . GLN A 1 174 ? 4.883   17.092  13.059  1.000 16.969 0 174 GLN A CG  1 ? 
ATOM   1272 C  CD  . GLN A 1 174 ? 4.949   16.835  14.548  1.000 20.496 0 174 GLN A CD  1 ? 
ATOM   1273 O  OE1 . GLN A 1 174 ? 6.006   16.506  15.094  1.000 21.209 0 174 GLN A OE1 1 ? 
ATOM   1274 N  NE2 . GLN A 1 174 ? 3.830   17.034  15.235  1.000 22.754 0 174 GLN A NE2 1 ? 
ATOM   1275 N  N   . GLY A 1 175 ? 4.706   13.845  9.924   1.000 9.148  0 175 GLY A N   1 ? 
ATOM   1276 C  CA  . GLY A 1 175 ? 5.044   13.137  8.690   1.000 8.189  0 175 GLY A CA  1 ? 
ATOM   1277 C  C   . GLY A 1 175 ? 4.505   11.700  8.699   1.000 7.990  0 175 GLY A C   1 ? 
ATOM   1278 O  O   . GLY A 1 175 ? 4.404   11.085  7.634   1.000 7.433  0 175 GLY A O   1 ? 
ATOM   1279 N  N   . ASP A 1 176 ? 4.215   11.145  9.893   1.000 7.434  0 176 ASP A N   1 ? 
ATOM   1280 C  CA  . ASP A 1 176 ? 3.564   9.848   10.013  1.000 7.693  0 176 ASP A CA  1 ? 
ATOM   1281 C  C   . ASP A 1 176 ? 2.044   9.966   9.989   1.000 7.579  0 176 ASP A C   1 ? 
ATOM   1282 O  O   . ASP A 1 176 ? 1.344   8.975   9.841   1.000 7.446  0 176 ASP A O   1 ? 
ATOM   1283 C  CB  . ASP A 1 176 ? 3.939   9.159   11.339  1.000 8.397  0 176 ASP A CB  1 ? 
ATOM   1284 C  CG  . ASP A 1 176 ? 5.410   8.783   11.465  1.000 8.530  0 176 ASP A CG  1 ? 
ATOM   1285 O  OD1 . ASP A 1 176 ? 5.975   8.337   10.423  1.000 8.067  0 176 ASP A OD1 1 ? 
ATOM   1286 O  OD2 . ASP A 1 176 ? 6.004   8.976   12.592  1.000 8.911  0 176 ASP A OD2 1 ? 
ATOM   1287 N  N   . SER A 1 177 ? 1.598   11.209  10.156  1.000 7.929  0 177 SER A N   1 ? 
ATOM   1288 C  CA  . SER A 1 177 ? 0.201   11.533  10.209  1.000 7.967  0 177 SER A CA  1 ? 
ATOM   1289 C  C   . SER A 1 177 ? -0.581  10.863  9.071   1.000 7.070  0 177 SER A C   1 ? 
ATOM   1290 O  O   . SER A 1 177 ? -0.105  10.857  7.932   1.000 7.505  0 177 SER A O   1 ? 
ATOM   1291 C  CB  . SER A 1 177 ? -0.027  13.009  10.132  1.000 9.772  0 177 SER A CB  1 ? 
ATOM   1292 O  OG  . SER A 1 177 ? 0.493   13.659  11.283  1.000 11.534 0 177 SER A OG  1 ? 
ATOM   1293 N  N   . GLY A 1 178 ? -1.759  10.327  9.402   1.000 7.588  0 178 GLY A N   1 ? 
ATOM   1294 C  CA  . GLY A 1 178 ? -2.639  9.641   8.460   1.000 7.259  0 178 GLY A CA  1 ? 
ATOM   1295 C  C   . GLY A 1 178 ? -2.337  8.157   8.255   1.000 7.812  0 178 GLY A C   1 ? 
ATOM   1296 O  O   . GLY A 1 178 ? -3.140  7.419   7.654   1.000 7.926  0 178 GLY A O   1 ? 
ATOM   1297 N  N   . GLY A 1 179 ? -1.164  7.710   8.755   1.000 7.747  0 179 GLY A N   1 ? 
ATOM   1298 C  CA  . GLY A 1 179 ? -0.682  6.354   8.588   1.000 8.079  0 179 GLY A CA  1 ? 
ATOM   1299 C  C   . GLY A 1 179 ? -1.355  5.377   9.548   1.000 8.388  0 179 GLY A C   1 ? 
ATOM   1300 O  O   . GLY A 1 179 ? -2.087  5.728   10.460  1.000 7.715  0 179 GLY A O   1 ? 
ATOM   1301 N  N   . PRO A 1 180 ? -1.040  4.087   9.371   1.000 8.639  0 180 PRO A N   1 ? 
ATOM   1302 C  CA  . PRO A 1 180 ? -1.714  3.001   10.054  1.000 9.493  0 180 PRO A CA  1 ? 
ATOM   1303 C  C   . PRO A 1 180 ? -1.197  2.672   11.437  1.000 9.143  0 180 PRO A C   1 ? 
ATOM   1304 O  O   . PRO A 1 180 ? 0.004   2.798   11.704  1.000 10.383 0 180 PRO A O   1 ? 
ATOM   1305 C  CB  . PRO A 1 180 ? -1.363  1.802   9.174   1.000 9.457  0 180 PRO A CB  1 ? 
ATOM   1306 C  CG  . PRO A 1 180 ? -0.060  2.177   8.545   1.000 9.560  0 180 PRO A CG  1 ? 
ATOM   1307 C  CD  . PRO A 1 180 ? -0.184  3.647   8.295   1.000 9.289  0 180 PRO A CD  1 ? 
ATOM   1308 N  N   . VAL A 1 181 ? -2.162  2.248   12.270  1.000 8.694  0 181 VAL A N   1 ? 
ATOM   1309 C  CA  . VAL A 1 181 ? -1.903  1.508   13.503  1.000 8.567  0 181 VAL A CA  1 ? 
ATOM   1310 C  C   . VAL A 1 181 ? -2.634  0.167   13.350  1.000 9.310  0 181 VAL A C   1 ? 
ATOM   1311 O  O   . VAL A 1 181 ? -3.874  0.146   13.333  1.000 9.432  0 181 VAL A O   1 ? 
ATOM   1312 C  CB  . VAL A 1 181 ? -2.395  2.245   14.753  1.000 9.131  0 181 VAL A CB  1 ? 
ATOM   1313 C  CG1 . VAL A 1 181 ? -2.079  1.459   16.014  1.000 8.645  0 181 VAL A CG1 1 ? 
ATOM   1314 C  CG2 . VAL A 1 181 ? -1.890  3.676   14.812  1.000 10.656 0 181 VAL A CG2 1 ? 
ATOM   1315 N  N   . VAL A 1 182 ? -1.871  -0.920  13.126  1.000 10.579 0 182 VAL A N   1 ? 
ATOM   1316 C  CA  . VAL A 1 182 ? -2.461  -2.221  12.841  1.000 11.520 0 182 VAL A CA  1 ? 
ATOM   1317 C  C   . VAL A 1 182 ? -2.318  -3.155  14.060  1.000 11.013 0 182 VAL A C   1 ? 
ATOM   1318 O  O   . VAL A 1 182 ? -1.230  -3.296  14.635  1.000 12.043 0 182 VAL A O   1 ? 
ATOM   1319 C  CB  . VAL A 1 182 ? -1.858  -2.795  11.547  1.000 10.773 0 182 VAL A CB  1 ? 
ATOM   1320 C  CG1 . VAL A 1 182 ? -2.062  -4.311  11.452  1.000 13.581 0 182 VAL A CG1 1 ? 
ATOM   1321 C  CG2 . VAL A 1 182 ? -2.473  -2.136  10.336  1.000 10.178 0 182 VAL A CG2 1 ? 
ATOM   1322 N  N   . CYS A 1 183 ? -3.452  -3.697  14.520  1.000 12.880 0 183 CYS A N   1 ? 
ATOM   1323 C  CA  . CYS A 1 183 ? -3.482  -4.557  15.702  1.000 13.748 0 183 CYS A CA  1 ? 
ATOM   1324 C  C   . CYS A 1 183 ? -4.234  -5.836  15.327  1.000 14.257 0 183 CYS A C   1 ? 
ATOM   1325 O  O   . CYS A 1 183 ? -5.362  -5.759  14.851  1.000 14.620 0 183 CYS A O   1 ? 
ATOM   1326 C  CB  . CYS A 1 183 ? -4.209  -3.919  16.879  1.000 15.077 0 183 CYS A CB  1 ? 
ATOM   1327 S  SG  . CYS A 1 183 ? -3.799  -2.173  17.122  1.000 14.120 0 183 CYS A SG  1 ? 
ATOM   1328 N  N   . SER A 1 184 ? -3.612  -6.990  15.608  1.000 15.308 0 184 SER A N   1 ? 
ATOM   1329 C  CA  . SER A 1 184 ? -4.222  -8.278  15.296  1.000 15.612 0 184 SER A CA  1 ? 
ATOM   1330 C  C   . SER A 1 184 ? -4.733  -8.300  13.852  1.000 15.750 0 184 SER A C   1 ? 
ATOM   1331 O  O   . SER A 1 184 ? -5.851  -8.767  13.531  1.000 14.055 0 184 SER A O   1 ? 
ATOM   1332 C  CB  . SER A 1 184 ? -5.349  -8.601  16.303  1.000 15.779 0 184 SER A CB  1 ? 
ATOM   1333 O  OG  . SER A 1 184 ? -4.955  -8.327  17.642  1.000 19.406 0 184 SER A OG  1 ? 
ATOM   1334 N  N   . GLY A 1 185 ? -3.930  -7.755  12.931  1.000 15.701 0 185 GLY A N   1 ? 
ATOM   1335 C  CA  . GLY A 1 185 ? -4.247  -7.855  11.519  1.000 15.203 0 185 GLY A CA  1 ? 
ATOM   1336 C  C   . GLY A 1 185 ? -5.316  -6.887  11.023  1.000 13.582 0 185 GLY A C   1 ? 
ATOM   1337 O  O   . GLY A 1 185 ? -5.710  -7.023  9.859   1.000 12.298 0 185 GLY A O   1 ? 
ATOM   1338 N  N   . LYS A 1 186 ? -5.743  -5.937  11.869  1.000 12.750 0 186 LYS A N   1 ? 
ATOM   1339 C  CA  . LYS A 1 186 ? -6.796  -4.995  11.529  1.000 13.756 0 186 LYS A CA  1 ? 
ATOM   1340 C  C   . LYS A 1 186 ? -6.252  -3.570  11.662  1.000 12.509 0 186 LYS A C   1 ? 
ATOM   1341 O  O   . LYS A 1 186 ? -5.478  -3.243  12.568  1.000 12.986 0 186 LYS A O   1 ? 
ATOM   1342 C  CB  . LYS A 1 186 ? -7.990  -5.159  12.471  1.000 14.383 0 186 LYS A CB  1 ? 
ATOM   1343 C  CG  . LYS A 1 186 ? -8.451  -6.598  12.702  1.000 16.322 0 186 LYS A CG  1 ? 
ATOM   1344 C  CD  . LYS A 1 186 ? -8.973  -7.248  11.465  1.000 17.456 0 186 LYS A CD  1 ? 
ATOM   1345 C  CE  . LYS A 1 186 ? -9.279  -8.704  11.781  1.000 21.167 0 186 LYS A CE  1 ? 
ATOM   1346 N  NZ  . LYS A 1 186 ? -9.824  -9.422  10.611  1.000 25.148 0 186 LYS A NZ  1 ? 
ATOM   1347 N  N   . LEU A 1 187 ? -6.750  -2.695  10.789  1.000 11.122 0 187 LEU A N   1 ? 
ATOM   1348 C  CA  . LEU A 1 187 ? -6.491  -1.264  10.932  1.000 10.646 0 187 LEU A CA  1 ? 
ATOM   1349 C  C   . LEU A 1 187 ? -7.329  -0.679  12.060  1.000 10.030 0 187 LEU A C   1 ? 
ATOM   1350 O  O   . LEU A 1 187 ? -8.507  -0.432  11.905  1.000 12.400 0 187 LEU A O   1 ? 
ATOM   1351 C  CB  . LEU A 1 187 ? -6.810  -0.588  9.605   1.000 11.038 0 187 LEU A CB  1 ? 
ATOM   1352 C  CG  . LEU A 1 187 ? -6.452  0.902   9.547   1.000 11.366 0 187 LEU A CG  1 ? 
ATOM   1353 C  CD1 . LEU A 1 187 ? -4.952  1.138   9.595   1.000 11.591 0 187 LEU A CD1 1 ? 
ATOM   1354 C  CD2 . LEU A 1 187 ? -7.045  1.581   8.330   1.000 11.501 0 187 LEU A CD2 1 ? 
ATOM   1355 N  N   . GLN A 1 188 ? -6.706  -0.452  13.220  1.000 10.873 0 188 GLN A N   1 ? 
ATOM   1356 C  CA  . GLN A 1 188 ? -7.422  0.006   14.395  1.000 11.040 0 188 GLN A CA  1 ? 
ATOM   1357 C  C   . GLN A 1 188 ? -7.198  1.495   14.637  1.000 10.349 0 188 GLN A C   1 ? 
ATOM   1358 O  O   . GLN A 1 188 ? -8.031  2.154   15.263  1.000 9.596  0 188 GLN A O   1 ? 
ATOM   1359 C  CB  . GLN A 1 188 ? -7.007  -0.851  15.598  1.000 11.296 0 188 GLN A CB  1 ? 
ATOM   1360 C  CG  . GLN A 1 188 ? -7.541  -2.286  15.515  1.000 13.440 0 188 GLN A CG  1 ? 
ATOM   1361 C  CD  . GLN A 1 188 ? -8.993  -2.448  15.910  1.000 15.573 0 188 GLN A CD  1 ? 
ATOM   1362 O  OE1 . GLN A 1 188 ? -9.780  -1.507  15.972  1.000 14.808 0 188 GLN A OE1 1 ? 
ATOM   1363 N  NE2 . GLN A 1 188 ? -9.386  -3.686  16.228  1.000 15.544 0 188 GLN A NE2 1 ? 
ATOM   1364 N  N   . GLY A 1 189 ? -6.095  2.067   14.131  1.000 9.330  0 189 GLY A N   1 ? 
ATOM   1365 C  CA  . GLY A 1 189 ? -5.854  3.479   14.373  1.000 9.404  0 189 GLY A CA  1 ? 
ATOM   1366 C  C   . GLY A 1 189 ? -5.260  4.174   13.154  1.000 9.242  0 189 GLY A C   1 ? 
ATOM   1367 O  O   . GLY A 1 189 ? -4.761  3.544   12.206  1.000 9.743  0 189 GLY A O   1 ? 
ATOM   1368 N  N   . ILE A 1 190 ? -5.387  5.505   13.218  1.000 8.985  0 190 ILE A N   1 ? 
ATOM   1369 C  CA  . ILE A 1 190 ? -4.758  6.420   12.277  1.000 8.437  0 190 ILE A CA  1 ? 
ATOM   1370 C  C   . ILE A 1 190 ? -3.922  7.386   13.098  1.000 8.106  0 190 ILE A C   1 ? 
ATOM   1371 O  O   . ILE A 1 190 ? -4.437  7.947   14.064  1.000 8.273  0 190 ILE A O   1 ? 
ATOM   1372 C  CB  . ILE A 1 190 ? -5.847  7.144   11.477  1.000 8.863  0 190 ILE A CB  1 ? 
ATOM   1373 C  CG1 . ILE A 1 190 ? -6.766  6.178   10.719  1.000 10.344 0 190 ILE A CG1 1 ? 
ATOM   1374 C  CG2 . ILE A 1 190 ? -5.246  8.181   10.550  1.000 8.710  0 190 ILE A CG2 1 ? 
ATOM   1375 C  CD1 . ILE A 1 190 ? -8.088  6.828   10.275  1.000 11.599 0 190 ILE A CD1 1 ? 
ATOM   1376 N  N   . VAL A 1 191 ? -2.704  7.663   12.630  1.000 6.991  0 191 VAL A N   1 ? 
ATOM   1377 C  CA  . VAL A 1 191 ? -1.825  8.600   13.312  1.000 7.171  0 191 VAL A CA  1 ? 
ATOM   1378 C  C   . VAL A 1 191 ? -2.450  9.994   13.244  1.000 7.257  0 191 VAL A C   1 ? 
ATOM   1379 O  O   . VAL A 1 191 ? -2.689  10.510  12.156  1.000 7.208  0 191 VAL A O   1 ? 
ATOM   1380 C  CB  . VAL A 1 191 ? -0.407  8.591   12.686  1.000 6.881  0 191 VAL A CB  1 ? 
ATOM   1381 C  CG1 . VAL A 1 191 ? 0.507   9.586   13.401  1.000 7.127  0 191 VAL A CG1 1 ? 
ATOM   1382 C  CG2 . VAL A 1 191 ? 0.258   7.220   12.655  1.000 7.121  0 191 VAL A CG2 1 ? 
ATOM   1383 N  N   . SER A 1 192 ? -2.811  10.557  14.415  1.000 7.232  0 192 SER A N   1 ? 
ATOM   1384 C  CA  . SER A 1 192 ? -3.619  11.792  14.480  1.000 7.708  0 192 SER A CA  1 ? 
ATOM   1385 C  C   . SER A 1 192 ? -2.891  12.960  15.164  1.000 9.158  0 192 SER A C   1 ? 
ATOM   1386 O  O   . SER A 1 192 ? -2.641  13.960  14.508  1.000 9.219  0 192 SER A O   1 ? 
ATOM   1387 C  CB  . SER A 1 192 ? -4.951  11.467  15.085  1.000 8.442  0 192 SER A CB  1 ? 
ATOM   1388 O  OG  . SER A 1 192 ? -5.758  12.625  15.147  1.000 7.304  0 192 SER A OG  1 ? 
ATOM   1389 N  N   . TRP A 1 193 ? -2.516  12.842  16.440  1.000 9.010  0 193 TRP A N   1 ? 
ATOM   1390 C  CA  . TRP A 1 193 ? -1.907  13.983  17.104  1.000 9.275  0 193 TRP A CA  1 ? 
ATOM   1391 C  C   . TRP A 1 193 ? -1.160  13.527  18.344  1.000 10.722 0 193 TRP A C   1 ? 
ATOM   1392 O  O   . TRP A 1 193 ? -1.071  12.353  18.615  1.000 11.178 0 193 TRP A O   1 ? 
ATOM   1393 C  CB  . TRP A 1 193 ? -2.963  15.063  17.415  1.000 9.846  0 193 TRP A CB  1 ? 
ATOM   1394 C  CG  . TRP A 1 193 ? -4.070  14.695  18.368  1.000 9.815  0 193 TRP A CG  1 ? 
ATOM   1395 C  CD1 . TRP A 1 193 ? -5.227  14.077  18.020  1.000 9.848  0 193 TRP A CD1 1 ? 
ATOM   1396 C  CD2 . TRP A 1 193 ? -4.241  15.055  19.762  1.000 10.607 0 193 TRP A CD2 1 ? 
ATOM   1397 N  NE1 . TRP A 1 193 ? -6.089  13.985  19.100  1.000 11.048 0 193 TRP A NE1 1 ? 
ATOM   1398 C  CE2 . TRP A 1 193 ? -5.493  14.551  20.192  1.000 11.229 0 193 TRP A CE2 1 ? 
ATOM   1399 C  CE3 . TRP A 1 193 ? -3.417  15.693  20.705  1.000 12.035 0 193 TRP A CE3 1 ? 
ATOM   1400 C  CZ2 . TRP A 1 193 ? -5.985  14.694  21.500  1.000 11.271 0 193 TRP A CZ2 1 ? 
ATOM   1401 C  CZ3 . TRP A 1 193 ? -3.886  15.825  21.992  1.000 12.041 0 193 TRP A CZ3 1 ? 
ATOM   1402 C  CH2 . TRP A 1 193 ? -5.142  15.338  22.377  1.000 11.760 0 193 TRP A CH2 1 ? 
ATOM   1403 N  N   . GLY A 1 194 ? -0.687  14.511  19.103  1.000 11.772 0 194 GLY A N   1 ? 
ATOM   1404 C  CA  . GLY A 1 194 ? 0.116   14.280  20.289  1.000 12.700 0 194 GLY A CA  1 ? 
ATOM   1405 C  C   . GLY A 1 194 ? 0.875   15.558  20.618  1.000 14.119 0 194 GLY A C   1 ? 
ATOM   1406 O  O   . GLY A 1 194 ? 1.128   16.387  19.752  1.000 17.751 0 194 GLY A O   1 ? 
ATOM   1407 N  N   . SER A 1 195 ? 1.303   15.703  21.866  1.000 13.253 0 195 SER A N   1 ? 
ATOM   1408 C  CA  . SER A 1 195 ? 2.103   16.860  22.256  1.000 15.475 0 195 SER A CA  1 ? 
ATOM   1409 C  C   . SER A 1 195 ? 3.589   16.589  22.037  1.000 14.741 0 195 SER A C   1 ? 
ATOM   1410 O  O   . SER A 1 195 ? 4.274   15.839  22.755  1.000 15.322 0 195 SER A O   1 ? 
ATOM   1411 C  CB  . SER A 1 195 ? 1.789   17.246  23.655  1.000 15.023 0 195 SER A CB  1 ? 
ATOM   1412 O  OG  . SER A 1 195 ? 2.618   18.321  24.030  1.000 17.267 0 195 SER A OG  1 ? 
ATOM   1413 N  N   . GLY A 1 196 ? 4.140   17.193  20.992  1.000 16.169 0 196 GLY A N   1 ? 
ATOM   1414 C  CA  . GLY A 1 196 ? 5.480   16.849  20.575  1.000 15.425 0 196 GLY A CA  1 ? 
ATOM   1415 C  C   . GLY A 1 196 ? 5.516   15.400  20.052  1.000 13.636 0 196 GLY A C   1 ? 
ATOM   1416 O  O   . GLY A 1 196 ? 4.477   14.877  19.606  1.000 15.207 0 196 GLY A O   1 ? 
ATOM   1417 N  N   . CYS A 1 197 ? 6.693   14.794  20.158  1.000 13.161 0 197 CYS A N   1 ? 
ATOM   1418 C  CA  . CYS A 1 197 ? 6.916   13.382  19.830  1.000 13.665 0 197 CYS A CA  1 ? 
ATOM   1419 C  C   . CYS A 1 197 ? 7.859   12.747  20.830  1.000 12.468 0 197 CYS A C   1 ? 
ATOM   1420 O  O   . CYS A 1 197 ? 8.933   13.272  21.107  1.000 12.854 0 197 CYS A O   1 ? 
ATOM   1421 C  CB  . CYS A 1 197 ? 7.584   13.181  18.478  1.000 14.408 0 197 CYS A CB  1 ? 
ATOM   1422 S  SG  . CYS A 1 197 ? 6.699   14.092  17.198  1.000 14.288 0 197 CYS A SG  1 ? 
ATOM   1423 N  N   . ALA A 1 198 ? 7.429   11.573  21.339  1.000 12.021 0 198 ALA A N   1 ? 
ATOM   1424 C  CA  . ALA A 1 198 ? 8.199   10.703  22.213  1.000 11.575 0 198 ALA A CA  1 ? 
ATOM   1425 C  C   . ALA A 1 198 ? 8.577   11.373  23.540  1.000 11.918 0 198 ALA A C   1 ? 
ATOM   1426 O  O   . ALA A 1 198 ? 9.603   11.035  24.119  1.000 14.047 0 198 ALA A O   1 ? 
ATOM   1427 C  CB  . ALA A 1 198 ? 9.413   10.172  21.501  1.000 11.689 0 198 ALA A CB  1 ? 
ATOM   1428 N  N   . GLN A 1 199 ? 7.741   12.290  23.999  1.000 14.280 0 199 GLN A N   1 ? 
ATOM   1429 C  CA  . GLN A 1 199 ? 7.975   12.995  25.257  1.000 15.853 0 199 GLN A CA  1 ? 
ATOM   1430 C  C   . GLN A 1 199 ? 7.320   12.243  26.415  1.000 14.460 0 199 GLN A C   1 ? 
ATOM   1431 O  O   . GLN A 1 199 ? 6.250   11.651  26.283  1.000 16.208 0 199 GLN A O   1 ? 
ATOM   1432 C  CB  . GLN A 1 199 ? 7.401   14.415  25.178  1.000 18.298 0 199 GLN A CB  1 ? 
ATOM   1433 C  CG  . GLN A 1 199 ? 8.058   15.280  24.108  1.000 22.125 0 199 GLN A CG  1 ? 
ATOM   1434 C  CD  . GLN A 1 199 ? 9.552   15.424  24.265  1.000 25.428 0 199 GLN A CD  1 ? 
ATOM   1435 O  OE1 . GLN A 1 199 ? 10.046  15.915  25.279  1.000 30.049 0 199 GLN A OE1 1 ? 
ATOM   1436 N  NE2 . GLN A 1 199 ? 10.315  14.969  23.285  1.000 26.130 0 199 GLN A NE2 1 ? 
ATOM   1437 N  N   . LYS A 1 200 ? 7.995   12.313  27.574  1.000 16.467 0 200 LYS A N   1 ? 
ATOM   1438 C  CA  . LYS A 1 200 ? 7.476   11.751  28.813  1.000 17.074 0 200 LYS A CA  1 ? 
ATOM   1439 C  C   . LYS A 1 200 ? 6.034   12.217  29.005  1.000 15.006 0 200 LYS A C   1 ? 
ATOM   1440 O  O   . LYS A 1 200 ? 5.754   13.403  28.881  1.000 15.541 0 200 LYS A O   1 ? 
ATOM   1441 C  CB  . LYS A 1 200 ? 8.338   12.215  30.006  1.000 19.359 0 200 LYS A CB  1 ? 
ATOM   1442 C  CG  . LYS A 1 200 ? 8.244   11.393  31.279  1.000 24.265 0 200 LYS A CG  1 ? 
ATOM   1443 C  CD  . LYS A 1 200 ? 9.058   11.988  32.446  1.000 28.718 0 200 LYS A CD  1 ? 
ATOM   1444 C  CE  . LYS A 1 200 ? 9.009   11.146  33.712  1.000 32.346 0 200 LYS A CE  1 ? 
ATOM   1445 N  NZ  . LYS A 1 200 ? 9.377   11.918  34.934  1.000 32.023 0 200 LYS A NZ  1 ? 
ATOM   1446 N  N   . ASN A 1 201 ? 5.128   11.294  29.327  1.000 15.093 0 201 ASN A N   1 ? 
ATOM   1447 C  CA  . ASN A 1 201 ? 3.755   11.547  29.738  1.000 16.754 0 201 ASN A CA  1 ? 
ATOM   1448 C  C   . ASN A 1 201 ? 2.888   12.162  28.637  1.000 17.105 0 201 ASN A C   1 ? 
ATOM   1449 O  O   . ASN A 1 201 ? 1.782   12.622  28.922  1.000 17.352 0 201 ASN A O   1 ? 
ATOM   1450 C  CB  . ASN A 1 201 ? 3.683   12.438  30.977  1.000 21.096 0 201 ASN A CB  1 ? 
ATOM   1451 C  CG  . ASN A 1 201 ? 4.375   11.797  32.162  1.000 21.301 0 201 ASN A CG  1 ? 
ATOM   1452 O  OD1 . ASN A 1 201 ? 5.056   12.471  32.936  1.000 30.491 0 201 ASN A OD1 1 ? 
ATOM   1453 N  ND2 . ASN A 1 201 ? 4.200   10.498  32.300  1.000 21.370 0 201 ASN A ND2 1 ? 
ATOM   1454 N  N   . LYS A 1 202 ? 3.347   12.090  27.387  1.000 15.864 0 202 LYS A N   1 ? 
ATOM   1455 C  CA  . LYS A 1 202 ? 2.625   12.687  26.271  1.000 15.896 0 202 LYS A CA  1 ? 
ATOM   1456 C  C   . LYS A 1 202 ? 2.575   11.668  25.136  1.000 13.144 0 202 LYS A C   1 ? 
ATOM   1457 O  O   . LYS A 1 202 ? 3.283   11.774  24.143  1.000 12.027 0 202 LYS A O   1 ? 
ATOM   1458 C  CB  . LYS A 1 202 ? 3.281   13.992  25.802  1.000 19.779 0 202 LYS A CB  1 ? 
ATOM   1459 C  CG  . LYS A 1 202 ? 3.238   15.135  26.811  1.000 22.751 0 202 LYS A CG  1 ? 
ATOM   1460 C  CD  . LYS A 1 202 ? 1.809   15.473  27.214  1.000 28.187 0 202 LYS A CD  1 ? 
ATOM   1461 C  CE  . LYS A 1 202 ? 1.630   16.712  28.075  1.000 33.581 0 202 LYS A CE  1 ? 
ATOM   1462 N  NZ  . LYS A 1 202 ? 0.202   17.133  28.062  1.000 35.204 0 202 LYS A NZ  1 ? 
ATOM   1463 N  N   . PRO A 1 203 ? 1.777   10.602  25.280  1.000 12.986 0 203 PRO A N   1 ? 
ATOM   1464 C  CA  . PRO A 1 203 ? 1.750   9.558   24.262  1.000 12.402 0 203 PRO A CA  1 ? 
ATOM   1465 C  C   . PRO A 1 203 ? 1.059   10.009  22.971  1.000 11.657 0 203 PRO A C   1 ? 
ATOM   1466 O  O   . PRO A 1 203 ? 0.378   11.026  22.912  1.000 12.800 0 203 PRO A O   1 ? 
ATOM   1467 C  CB  . PRO A 1 203 ? 0.919   8.457   24.921  1.000 12.608 0 203 PRO A CB  1 ? 
ATOM   1468 C  CG  . PRO A 1 203 ? 0.044   9.187   25.896  1.000 13.642 0 203 PRO A CG  1 ? 
ATOM   1469 C  CD  . PRO A 1 203 ? 0.857   10.351  26.397  1.000 13.263 0 203 PRO A CD  1 ? 
ATOM   1470 N  N   . GLY A 1 204 ? 1.221   9.216   21.918  1.000 10.540 0 204 GLY A N   1 ? 
ATOM   1471 C  CA  . GLY A 1 204 ? 0.515   9.428   20.677  1.000 10.340 0 204 GLY A CA  1 ? 
ATOM   1472 C  C   . GLY A 1 204 ? -0.985  9.222   20.818  1.000 10.263 0 204 GLY A C   1 ? 
ATOM   1473 O  O   . GLY A 1 204 ? -1.433  8.358   21.576  1.000 10.511 0 204 GLY A O   1 ? 
ATOM   1474 N  N   . VAL A 1 205 ? -1.775  10.015  20.072  1.000 10.008 0 205 VAL A N   1 ? 
ATOM   1475 C  CA  . VAL A 1 205 ? -3.223  9.922   20.048  1.000 8.970  0 205 VAL A CA  1 ? 
ATOM   1476 C  C   . VAL A 1 205 ? -3.601  9.555   18.617  1.000 9.044  0 205 VAL A C   1 ? 
ATOM   1477 O  O   . VAL A 1 205 ? -3.044  10.130  17.675  1.000 11.313 0 205 VAL A O   1 ? 
ATOM   1478 C  CB  . VAL A 1 205 ? -3.928  11.207  20.532  1.000 8.994  0 205 VAL A CB  1 ? 
ATOM   1479 C  CG1 . VAL A 1 205 ? -5.434  11.022  20.652  1.000 9.406  0 205 VAL A CG1 1 ? 
ATOM   1480 C  CG2 . VAL A 1 205 ? -3.306  11.695  21.833  1.000 9.213  0 205 VAL A CG2 1 ? 
ATOM   1481 N  N   . TYR A 1 206 ? -4.508  8.595   18.496  1.000 8.460  0 206 TYR A N   1 ? 
ATOM   1482 C  CA  . TYR A 1 206 ? -4.868  7.923   17.253  1.000 8.346  0 206 TYR A CA  1 ? 
ATOM   1483 C  C   . TYR A 1 206 ? -6.385  7.939   17.068  1.000 8.622  0 206 TYR A C   1 ? 
ATOM   1484 O  O   . TYR A 1 206 ? -7.159  7.786   18.019  1.000 8.725  0 206 TYR A O   1 ? 
ATOM   1485 C  CB  . TYR A 1 206 ? -4.322  6.483   17.356  1.000 7.391  0 206 TYR A CB  1 ? 
ATOM   1486 C  CG  . TYR A 1 206 ? -2.825  6.468   17.445  1.000 7.750  0 206 TYR A CG  1 ? 
ATOM   1487 C  CD1 . TYR A 1 206 ? -2.037  6.591   16.302  1.000 8.281  0 206 TYR A CD1 1 ? 
ATOM   1488 C  CD2 . TYR A 1 206 ? -2.178  6.446   18.663  1.000 8.411  0 206 TYR A CD2 1 ? 
ATOM   1489 C  CE1 . TYR A 1 206 ? -0.659  6.618   16.352  1.000 8.049  0 206 TYR A CE1 1 ? 
ATOM   1490 C  CE2 . TYR A 1 206 ? -0.779  6.504   18.736  1.000 7.757  0 206 TYR A CE2 1 ? 
ATOM   1491 C  CZ  . TYR A 1 206 ? 0.001   6.606   17.575  1.000 8.252  0 206 TYR A CZ  1 ? 
ATOM   1492 O  OH  . TYR A 1 206 ? 1.376   6.694   17.667  1.000 8.892  0 206 TYR A OH  1 ? 
ATOM   1493 N  N   . THR A 1 207 ? -6.832  8.089   15.812  1.000 8.338  0 207 THR A N   1 ? 
ATOM   1494 C  CA  . THR A 1 207 ? -8.231  7.963   15.473  1.000 9.029  0 207 THR A CA  1 ? 
ATOM   1495 C  C   . THR A 1 207 ? -8.636  6.509   15.687  1.000 9.226  0 207 THR A C   1 ? 
ATOM   1496 O  O   . THR A 1 207 ? -7.966  5.622   15.194  1.000 9.145  0 207 THR A O   1 ? 
ATOM   1497 C  CB  . THR A 1 207 ? -8.521  8.426   14.035  1.000 8.451  0 207 THR A CB  1 ? 
ATOM   1498 O  OG1 . THR A 1 207 ? -7.878  9.692   13.857  1.000 8.463  0 207 THR A OG1 1 ? 
ATOM   1499 C  CG2 . THR A 1 207 ? -10.002 8.459   13.755  1.000 9.146  0 207 THR A CG2 1 ? 
ATOM   1500 N  N   . LYS A 1 208 ? -9.770  6.297   16.382  1.000 10.511 0 208 LYS A N   1 ? 
ATOM   1501 C  CA  . LYS A 1 208 ? -10.291 4.979   16.682  1.000 10.527 0 208 LYS A CA  1 ? 
ATOM   1502 C  C   . LYS A 1 208 ? -11.148 4.462   15.519  1.000 10.266 0 208 LYS A C   1 ? 
ATOM   1503 O  O   . LYS A 1 208 ? -12.323 4.761   15.399  1.000 10.839 0 208 LYS A O   1 ? 
ATOM   1504 C  CB  . LYS A 1 208 ? -11.057 5.047   18.005  1.000 11.949 0 208 LYS A CB  1 ? 
ATOM   1505 C  CG  . LYS A 1 208 ? -11.362 3.667   18.565  1.000 13.715 0 208 LYS A CG  1 ? 
ATOM   1506 C  CD  . LYS A 1 208 ? -12.302 3.713   19.732  1.000 15.219 0 208 LYS A CD  1 ? 
ATOM   1507 C  CE  . LYS A 1 208 ? -11.685 4.333   20.952  1.000 17.461 0 208 LYS A CE  1 ? 
ATOM   1508 N  NZ  . LYS A 1 208 ? -12.590 4.193   22.130  1.000 19.602 0 208 LYS A NZ  1 ? 
ATOM   1509 N  N   . VAL A 1 209 ? -10.497 3.770   14.587  1.000 9.784  0 209 VAL A N   1 ? 
ATOM   1510 C  CA  . VAL A 1 209 ? -11.101 3.336   13.323  1.000 10.153 0 209 VAL A CA  1 ? 
ATOM   1511 C  C   . VAL A 1 209 ? -12.364 2.492   13.517  1.000 11.403 0 209 VAL A C   1 ? 
ATOM   1512 O  O   . VAL A 1 209 ? -13.300 2.574   12.721  1.000 12.539 0 209 VAL A O   1 ? 
ATOM   1513 C  CB  . VAL A 1 209 ? -10.071 2.606   12.436  1.000 10.183 0 209 VAL A CB  1 ? 
ATOM   1514 C  CG1 . VAL A 1 209 ? -10.702 2.088   11.156  1.000 10.810 0 209 VAL A CG1 1 ? 
ATOM   1515 C  CG2 . VAL A 1 209 ? -8.883  3.476   12.069  1.000 10.177 0 209 VAL A CG2 1 ? 
ATOM   1516 N  N   . CYS A 1 210 ? -12.390 1.672   14.557  1.000 11.803 0 210 CYS A N   1 ? 
ATOM   1517 C  CA  . CYS A 1 210 ? -13.558 0.795   14.729  1.000 12.408 0 210 CYS A CA  1 ? 
ATOM   1518 C  C   . CYS A 1 210 ? -14.859 1.591   14.891  1.000 14.009 0 210 CYS A C   1 ? 
ATOM   1519 O  O   . CYS A 1 210 ? -15.922 1.014   14.664  1.000 16.170 0 210 CYS A O   1 ? 
ATOM   1520 C  CB  . CYS A 1 210 ? -13.425 -0.148  15.919  1.000 14.297 0 210 CYS A CB  1 ? 
ATOM   1521 S  SG  . CYS A 1 210 ? -13.211 0.699   17.501  1.000 14.631 0 210 CYS A SG  1 ? 
ATOM   1522 N  N   . ASN A 1 211 ? -14.827 2.898   15.238  1.000 12.516 0 211 ASN A N   1 ? 
ATOM   1523 C  CA  . ASN A 1 211 ? -16.024 3.724   15.342  1.000 12.950 0 211 ASN A CA  1 ? 
ATOM   1524 C  C   . ASN A 1 211 ? -16.524 4.175   13.973  1.000 13.017 0 211 ASN A C   1 ? 
ATOM   1525 O  O   . ASN A 1 211 ? -17.604 4.761   13.899  1.000 17.375 0 211 ASN A O   1 ? 
ATOM   1526 C  CB  . ASN A 1 211 ? -15.828 4.943   16.261  1.000 14.891 0 211 ASN A CB  1 ? 
ATOM   1527 C  CG  . ASN A 1 211 ? -15.621 4.553   17.710  1.000 16.067 0 211 ASN A CG  1 ? 
ATOM   1528 O  OD1 . ASN A 1 211 ? -15.666 3.375   18.061  1.000 18.020 0 211 ASN A OD1 1 ? 
ATOM   1529 N  ND2 . ASN A 1 211 ? -15.467 5.539   18.578  1.000 14.470 0 211 ASN A ND2 1 ? 
ATOM   1530 N  N   . TYR A 1 212 ? -15.755 3.882   12.921  1.000 12.428 0 212 TYR A N   1 ? 
ATOM   1531 C  CA  . TYR A 1 212 ? -16.012 4.474   11.621  1.000 11.952 0 212 TYR A CA  1 ? 
ATOM   1532 C  C   . TYR A 1 212 ? -16.363 3.476   10.530  1.000 13.748 0 212 TYR A C   1 ? 
ATOM   1533 O  O   . TYR A 1 212 ? -16.510 3.893   9.376   1.000 13.912 0 212 TYR A O   1 ? 
ATOM   1534 C  CB  . TYR A 1 212 ? -14.831 5.341   11.166  1.000 11.329 0 212 TYR A CB  1 ? 
ATOM   1535 C  CG  . TYR A 1 212 ? -14.641 6.506   12.096  1.000 10.196 0 212 TYR A CG  1 ? 
ATOM   1536 C  CD1 . TYR A 1 212 ? -15.508 7.592   12.040  1.000 10.763 0 212 TYR A CD1 1 ? 
ATOM   1537 C  CD2 . TYR A 1 212 ? -13.681 6.487   13.086  1.000 11.066 0 212 TYR A CD2 1 ? 
ATOM   1538 C  CE1 . TYR A 1 212 ? -15.412 8.632   12.944  1.000 10.293 0 212 TYR A CE1 1 ? 
ATOM   1539 C  CE2 . TYR A 1 212 ? -13.582 7.519   14.003  1.000 9.628  0 212 TYR A CE2 1 ? 
ATOM   1540 C  CZ  . TYR A 1 212 ? -14.467 8.571   13.955  1.000 9.445  0 212 TYR A CZ  1 ? 
ATOM   1541 O  OH  . TYR A 1 212 ? -14.315 9.567   14.854  1.000 10.188 0 212 TYR A OH  1 ? 
ATOM   1542 N  N   . VAL A 1 213 ? -16.451 2.189   10.866  1.000 14.699 0 213 VAL A N   1 ? 
ATOM   1543 C  CA  . VAL A 1 213 ? -16.544 1.149   9.861   1.000 17.335 0 213 VAL A CA  1 ? 
ATOM   1544 C  C   . VAL A 1 213 ? -17.883 1.254   9.112   1.000 14.843 0 213 VAL A C   1 ? 
ATOM   1545 O  O   . VAL A 1 213 ? -17.866 1.086   7.890   1.000 15.129 0 213 VAL A O   1 ? 
ATOM   1546 C  CB  . VAL A 1 213 ? -16.250 -0.238  10.465  1.000 18.823 0 213 VAL A CB  1 ? 
ATOM   1547 C  CG1 . VAL A 1 213 ? -16.582 -1.358  9.481   1.000 22.841 0 213 VAL A CG1 1 ? 
ATOM   1548 C  CG2 . VAL A 1 213 ? -14.783 -0.343  10.869  1.000 19.128 0 213 VAL A CG2 1 ? 
ATOM   1549 N  N   . SER A 1 214 ? -18.966 1.709   9.762   1.000 14.594 0 214 SER A N   1 ? 
ATOM   1550 C  CA  . SER A 1 214 ? -20.243 1.881   9.065   1.000 16.121 0 214 SER A CA  1 ? 
ATOM   1551 C  C   . SER A 1 214 ? -20.154 3.002   8.034   1.000 13.172 0 214 SER A C   1 ? 
ATOM   1552 O  O   . SER A 1 214 ? -20.626 2.851   6.917   1.000 13.113 0 214 SER A O   1 ? 
ATOM   1553 C  CB  . SER A 1 214 ? -21.425 2.157   9.976   1.000 19.915 0 214 SER A CB  1 ? 
ATOM   1554 O  OG  . SER A 1 214 ? -21.595 1.083   10.885  1.000 28.909 0 214 SER A OG  1 ? 
ATOM   1555 N  N   . TRP A 1 215 ? -19.551 4.142   8.420   1.000 11.894 0 215 TRP A N   1 ? 
ATOM   1556 C  CA  . TRP A 1 215 ? -19.394 5.260   7.510   1.000 10.243 0 215 TRP A CA  1 ? 
ATOM   1557 C  C   . TRP A 1 215 ? -18.452 4.876   6.371   1.000 10.460 0 215 TRP A C   1 ? 
ATOM   1558 O  O   . TRP A 1 215 ? -18.687 5.203   5.206   1.000 10.532 0 215 TRP A O   1 ? 
ATOM   1559 C  CB  . TRP A 1 215 ? -18.866 6.501   8.252   1.000 10.829 0 215 TRP A CB  1 ? 
ATOM   1560 C  CG  . TRP A 1 215 ? -18.444 7.614   7.345   1.000 9.500  0 215 TRP A CG  1 ? 
ATOM   1561 C  CD1 . TRP A 1 215 ? -19.243 8.492   6.676   1.000 9.901  0 215 TRP A CD1 1 ? 
ATOM   1562 C  CD2 . TRP A 1 215 ? -17.090 7.983   7.006   1.000 9.697  0 215 TRP A CD2 1 ? 
ATOM   1563 N  NE1 . TRP A 1 215 ? -18.489 9.378   5.946   1.000 10.688 0 215 TRP A NE1 1 ? 
ATOM   1564 C  CE2 . TRP A 1 215 ? -17.160 9.051   6.094   1.000 10.260 0 215 TRP A CE2 1 ? 
ATOM   1565 C  CE3 . TRP A 1 215 ? -15.825 7.469   7.330   1.000 9.703  0 215 TRP A CE3 1 ? 
ATOM   1566 C  CZ2 . TRP A 1 215 ? -16.019 9.647   5.565   1.000 10.052 0 215 TRP A CZ2 1 ? 
ATOM   1567 C  CZ3 . TRP A 1 215 ? -14.699 8.060   6.803   1.000 10.032 0 215 TRP A CZ3 1 ? 
ATOM   1568 C  CH2 . TRP A 1 215 ? -14.784 9.152   5.944   1.000 10.816 0 215 TRP A CH2 1 ? 
ATOM   1569 N  N   . ILE A 1 216 ? -17.390 4.109   6.678   1.000 10.011 0 216 ILE A N   1 ? 
ATOM   1570 C  CA  . ILE A 1 216 ? -16.471 3.732   5.604   1.000 10.803 0 216 ILE A CA  1 ? 
ATOM   1571 C  C   . ILE A 1 216 ? -17.227 2.883   4.569   1.000 13.181 0 216 ILE A C   1 ? 
ATOM   1572 O  O   . ILE A 1 216 ? -17.166 3.111   3.365   1.000 12.451 0 216 ILE A O   1 ? 
ATOM   1573 C  CB  . ILE A 1 216 ? -15.193 3.041   6.106   1.000 10.548 0 216 ILE A CB  1 ? 
ATOM   1574 C  CG1 . ILE A 1 216 ? -14.287 4.032   6.851   1.000 11.121 0 216 ILE A CG1 1 ? 
ATOM   1575 C  CG2 . ILE A 1 216 ? -14.452 2.406   4.946   1.000 10.607 0 216 ILE A CG2 1 ? 
ATOM   1576 C  CD1 . ILE A 1 216 ? -13.220 3.351   7.665   1.000 12.837 0 216 ILE A CD1 1 ? 
ATOM   1577 N  N   . LYS A 1 217 ? -17.960 1.897   5.065   1.000 15.093 0 217 LYS A N   1 ? 
ATOM   1578 C  CA  . LYS A 1 217 ? -18.585 0.961   4.146   1.000 17.734 0 217 LYS A CA  1 ? 
ATOM   1579 C  C   . LYS A 1 217 ? -19.672 1.674   3.346   1.000 16.579 0 217 LYS A C   1 ? 
ATOM   1580 O  O   . LYS A 1 217 ? -19.777 1.404   2.151   1.000 15.710 0 217 LYS A O   1 ? 
ATOM   1581 C  CB  . LYS A 1 217 ? -19.097 -0.266  4.892   1.000 20.797 0 217 LYS A CB  1 ? 
ATOM   1582 C  CG  . LYS A 1 217 ? -18.008 -1.249  5.317   1.000 26.089 0 217 LYS A CG  1 ? 
ATOM   1583 C  CD  . LYS A 1 217 ? -18.581 -2.635  5.654   1.000 29.291 0 217 LYS A CD  1 ? 
ATOM   1584 C  CE  . LYS A 1 217 ? -18.168 -3.184  7.004   1.000 35.716 0 217 LYS A CE  1 ? 
ATOM   1585 N  NZ  . LYS A 1 217 ? -16.738 -3.577  7.047   1.000 40.950 0 217 LYS A NZ  1 ? 
ATOM   1586 N  N   . GLN A 1 218 ? -20.474 2.544   3.994   1.000 15.285 0 218 GLN A N   1 ? 
ATOM   1587 C  CA  . GLN A 1 218 ? -21.551 3.221   3.281   1.000 17.341 0 218 GLN A CA  1 ? 
ATOM   1588 C  C   . GLN A 1 218 ? -20.965 4.173   2.250   1.000 14.808 0 218 GLN A C   1 ? 
ATOM   1589 O  O   . GLN A 1 218 ? -21.506 4.293   1.157   1.000 13.335 0 218 GLN A O   1 ? 
ATOM   1590 C  CB  . GLN A 1 218 ? -22.592 3.875   4.204   1.000 22.532 0 218 GLN A CB  1 ? 
ATOM   1591 C  CG  . GLN A 1 218 ? -22.156 5.174   4.870   1.000 30.236 0 218 GLN A CG  1 ? 
ATOM   1592 C  CD  . GLN A 1 218 ? -22.664 6.483   4.289   1.000 36.815 0 218 GLN A CD  1 ? 
ATOM   1593 O  OE1 . GLN A 1 218 ? -21.890 7.428   4.107   1.000 29.692 0 218 GLN A OE1 1 ? 
ATOM   1594 N  NE2 . GLN A 1 218 ? -23.978 6.587   4.089   1.000 42.439 0 218 GLN A NE2 1 ? 
ATOM   1595 N  N   . THR A 1 219 ? -19.807 4.799   2.543   1.000 13.099 0 219 THR A N   1 ? 
ATOM   1596 C  CA  . THR A 1 219 ? -19.232 5.782   1.651   1.000 11.505 0 219 THR A CA  1 ? 
ATOM   1597 C  C   . THR A 1 219 ? -18.680 5.074   0.404   1.000 11.909 0 219 THR A C   1 ? 
ATOM   1598 O  O   . THR A 1 219 ? -18.896 5.512   -0.740  1.000 11.850 0 219 THR A O   1 ? 
ATOM   1599 C  CB  . THR A 1 219 ? -18.212 6.673   2.388   1.000 11.387 0 219 THR A CB  1 ? 
ATOM   1600 O  OG1 . THR A 1 219 ? -18.901 7.319   3.460   1.000 10.882 0 219 THR A OG1 1 ? 
ATOM   1601 C  CG2 . THR A 1 219 ? -17.594 7.685   1.451   1.000 11.751 0 219 THR A CG2 1 ? 
ATOM   1602 N  N   . ILE A 1 220 ? -17.975 3.960   0.628   1.000 12.010 0 220 ILE A N   1 ? 
ATOM   1603 C  CA  . ILE A 1 220 ? -17.391 3.215   -0.476  1.000 14.977 0 220 ILE A CA  1 ? 
ATOM   1604 C  C   . ILE A 1 220 ? -18.491 2.571   -1.324  1.000 15.039 0 220 ILE A C   1 ? 
ATOM   1605 O  O   . ILE A 1 220 ? -18.348 2.428   -2.546  1.000 17.450 0 220 ILE A O   1 ? 
ATOM   1606 C  CB  . ILE A 1 220 ? -16.413 2.183   0.072   1.000 16.927 0 220 ILE A CB  1 ? 
ATOM   1607 C  CG1 . ILE A 1 220 ? -15.183 2.882   0.655   1.000 18.086 0 220 ILE A CG1 1 ? 
ATOM   1608 C  CG2 . ILE A 1 220 ? -16.091 1.147   -0.975  1.000 20.967 0 220 ILE A CG2 1 ? 
ATOM   1609 C  CD1 . ILE A 1 220 ? -14.236 1.896   1.279   1.000 21.615 0 220 ILE A CD1 1 ? 
ATOM   1610 N  N   . ALA A 1 221 ? -19.631 2.294   -0.704  1.000 14.948 0 221 ALA A N   1 ? 
ATOM   1611 C  CA  . ALA A 1 221 ? -20.754 1.724   -1.448  1.000 16.720 0 221 ALA A CA  1 ? 
ATOM   1612 C  C   . ALA A 1 221 ? -21.489 2.743   -2.314  1.000 16.475 0 221 ALA A C   1 ? 
ATOM   1613 O  O   . ALA A 1 221 ? -22.379 2.369   -3.092  1.000 17.333 0 221 ALA A O   1 ? 
ATOM   1614 C  CB  . ALA A 1 221 ? -21.699 1.088   -0.474  1.000 16.620 0 221 ALA A CB  1 ? 
ATOM   1615 N  N   . SER A 1 222 ? -21.168 4.043   -2.170  1.000 15.393 0 222 SER A N   1 ? 
ATOM   1616 C  CA  . SER A 1 222 ? -21.891 5.114   -2.848  1.000 15.694 0 222 SER A CA  1 ? 
ATOM   1617 C  C   . SER A 1 222 ? -21.008 6.033   -3.673  1.000 14.010 0 222 SER A C   1 ? 
ATOM   1618 O  O   . SER A 1 222 ? -21.470 7.068   -4.107  1.000 14.249 0 222 SER A O   1 ? 
ATOM   1619 C  CB  . SER A 1 222 ? -22.704 5.890   -1.843  1.000 18.790 0 222 SER A CB  1 ? 
ATOM   1620 O  OG  . SER A 1 222 ? -23.888 5.171   -1.555  1.000 24.172 0 222 SER A OG  1 ? 
ATOM   1621 N  N   . ASN A 1 223 ? -19.738 5.657   -3.900  1.000 14.424 0 223 ASN A N   1 ? 
ATOM   1622 C  CA  . ASN A 1 223 ? -18.772 6.518   -4.557  1.000 14.772 0 223 ASN A CA  1 ? 
ATOM   1623 C  C   . ASN A 1 223 ? -17.750 5.675   -5.324  1.000 16.690 0 223 ASN A C   1 ? 
ATOM   1624 O  O   . ASN A 1 223 ? -16.929 6.317   -5.989  1.000 15.535 0 223 ASN A O   1 ? 
ATOM   1625 C  CB  . ASN A 1 223 ? -18.005 7.352   -3.525  1.000 15.279 0 223 ASN A CB  1 ? 
ATOM   1626 C  CG  . ASN A 1 223 ? -18.853 8.444   -2.939  1.000 13.299 0 223 ASN A CG  1 ? 
ATOM   1627 O  OD1 . ASN A 1 223 ? -18.937 9.538   -3.518  1.000 15.379 0 223 ASN A OD1 1 ? 
ATOM   1628 N  ND2 . ASN A 1 223 ? -19.369 8.181   -1.747  1.000 13.204 0 223 ASN A ND2 1 ? 
ATOM   1629 O  OXT . ASN A 1 223 ? -17.806 4.444   -5.194  1.000 19.302 0 223 ASN A OXT 1 ? 
HETATM 1630 CA CA  . CA  B 2 .   ? 10.520  4.587   -4.078  1.000 8.800  0 301 CA  A CA  1 ? 
HETATM 1631 C  C1  . BEN C 3 .   ? 2.224   12.803  16.822  1.000 11.693 0 302 BEN A C1  1 ? 
HETATM 1632 C  C2  . BEN C 3 .   ? 1.962   12.235  15.586  1.000 12.004 0 302 BEN A C2  1 ? 
HETATM 1633 C  C3  . BEN C 3 .   ? 1.568   13.003  14.508  1.000 12.247 0 302 BEN A C3  1 ? 
HETATM 1634 C  C4  . BEN C 3 .   ? 1.360   14.352  14.679  1.000 14.369 0 302 BEN A C4  1 ? 
HETATM 1635 C  C5  . BEN C 3 .   ? 1.554   14.927  15.911  1.000 13.391 0 302 BEN A C5  1 ? 
HETATM 1636 C  C6  . BEN C 3 .   ? 1.980   14.162  16.988  1.000 13.665 0 302 BEN A C6  1 ? 
HETATM 1637 C  C   . BEN C 3 .   ? 2.642   11.940  17.957  1.000 11.703 0 302 BEN A C   1 ? 
HETATM 1638 N  N1  . BEN C 3 .   ? 2.306   10.679  18.045  1.000 11.220 0 302 BEN A N1  1 ? 
HETATM 1639 N  N2  . BEN C 3 .   ? 3.389   12.458  18.940  1.000 12.062 0 302 BEN A N2  1 ? 
HETATM 1640 C  C1  . BEN D 3 .   ? -9.714  19.057  32.576  1.000 22.816 0 303 BEN A C1  1 ? 
HETATM 1641 C  C2  . BEN D 3 .   ? -9.005  18.761  33.734  1.000 22.521 0 303 BEN A C2  1 ? 
HETATM 1642 C  C3  . BEN D 3 .   ? -7.758  19.323  33.955  1.000 23.113 0 303 BEN A C3  1 ? 
HETATM 1643 C  C4  . BEN D 3 .   ? -7.222  20.175  33.008  1.000 21.969 0 303 BEN A C4  1 ? 
HETATM 1644 C  C5  . BEN D 3 .   ? -7.923  20.472  31.847  1.000 21.296 0 303 BEN A C5  1 ? 
HETATM 1645 C  C6  . BEN D 3 .   ? -9.166  19.906  31.621  1.000 20.695 0 303 BEN A C6  1 ? 
HETATM 1646 C  C   . BEN D 3 .   ? -11.019 18.410  32.319  1.000 22.496 0 303 BEN A C   1 ? 
HETATM 1647 N  N1  . BEN D 3 .   ? -11.929 19.008  31.574  1.000 24.066 0 303 BEN A N1  1 ? 
HETATM 1648 N  N2  . BEN D 3 .   ? -11.149 17.147  32.792  1.000 23.864 0 303 BEN A N2  1 ? 
HETATM 1649 C  C1  . GOL E 4 .   ? -0.530  -11.641 20.744  1.000 30.561 0 304 GOL A C1  1 ? 
HETATM 1650 O  O1  . GOL E 4 .   ? -1.338  -11.054 19.733  1.000 42.353 0 304 GOL A O1  1 ? 
HETATM 1651 C  C2  . GOL E 4 .   ? -1.231  -11.575 22.076  1.000 35.171 0 304 GOL A C2  1 ? 
HETATM 1652 O  O2  . GOL E 4 .   ? -0.259  -11.646 23.121  1.000 36.158 0 304 GOL A O2  1 ? 
HETATM 1653 C  C3  . GOL E 4 .   ? -2.297  -12.641 22.240  1.000 33.187 0 304 GOL A C3  1 ? 
HETATM 1654 O  O3  . GOL E 4 .   ? -2.352  -13.142 23.572  1.000 38.717 0 304 GOL A O3  1 ? 
HETATM 1655 O  O   . HOH F 5 .   ? 10.316  -6.010  -2.500  1.000 24.301 0 401 HOH A O   1 ? 
HETATM 1656 O  O   . HOH F 5 .   ? 7.585   -5.347  11.612  1.000 29.955 0 402 HOH A O   1 ? 
HETATM 1657 O  O   . HOH F 5 .   ? -10.299 4.674   23.553  1.000 35.471 0 403 HOH A O   1 ? 
HETATM 1658 O  O   . HOH F 5 .   ? -11.074 3.889   -9.529  1.000 25.143 0 404 HOH A O   1 ? 
HETATM 1659 O  O   . HOH F 5 .   ? 1.118   19.771  3.747   1.000 44.719 0 405 HOH A O   1 ? 
HETATM 1660 O  O   . HOH F 5 .   ? 0.460   -4.744  26.743  1.000 32.438 0 406 HOH A O   1 ? 
HETATM 1661 O  O   . HOH F 5 .   ? -1.414  9.121   31.735  1.000 27.888 0 407 HOH A O   1 ? 
HETATM 1662 O  O   . HOH F 5 .   ? -0.997  17.623  19.150  1.000 29.550 0 408 HOH A O   1 ? 
HETATM 1663 O  O   . HOH F 5 .   ? -2.736  19.053  24.039  1.000 27.838 0 409 HOH A O   1 ? 
HETATM 1664 O  O   . HOH F 5 .   ? 5.677   -8.810  13.835  1.000 31.649 0 410 HOH A O   1 ? 
HETATM 1665 O  O   . HOH F 5 .   ? 15.122  -3.833  9.838   1.000 26.384 0 411 HOH A O   1 ? 
HETATM 1666 O  O   . HOH F 5 .   ? 10.553  2.346   -3.142  1.000 10.935 0 412 HOH A O   1 ? 
HETATM 1667 O  O   . HOH F 5 .   ? 10.587  11.213  5.182   1.000 25.348 0 413 HOH A O   1 ? 
HETATM 1668 O  O   . HOH F 5 .   ? -4.845  5.285   34.784  1.000 40.627 0 414 HOH A O   1 ? 
HETATM 1669 O  O   . HOH F 5 .   ? -15.998 2.866   -6.107  1.000 39.621 0 415 HOH A O   1 ? 
HETATM 1670 O  O   . HOH F 5 .   ? 14.250  -0.594  3.955   1.000 14.845 0 416 HOH A O   1 ? 
HETATM 1671 O  O   . HOH F 5 .   ? 6.224   -4.981  21.501  1.000 36.691 0 417 HOH A O   1 ? 
HETATM 1672 O  O   . HOH F 5 .   ? -7.853  -9.807  9.002   1.000 26.016 0 418 HOH A O   1 ? 
HETATM 1673 O  O   . HOH F 5 .   ? -4.923  2.495   33.499  1.000 27.800 0 419 HOH A O   1 ? 
HETATM 1674 O  O   . HOH F 5 .   ? -15.925 2.705   20.538  1.000 35.514 0 420 HOH A O   1 ? 
HETATM 1675 O  O   . HOH F 5 .   ? 14.950  0.195   0.031   1.000 17.603 0 421 HOH A O   1 ? 
HETATM 1676 O  O   . HOH F 5 .   ? -11.940 24.502  12.551  1.000 23.165 0 422 HOH A O   1 ? 
HETATM 1677 O  O   . HOH F 5 .   ? 2.641   6.354   19.909  1.000 10.976 0 423 HOH A O   1 ? 
HETATM 1678 O  O   . HOH F 5 .   ? -16.709 8.716   -6.961  1.000 25.542 0 424 HOH A O   1 ? 
HETATM 1679 O  O   . HOH F 5 .   ? -1.657  20.531  -2.931  1.000 32.388 0 425 HOH A O   1 ? 
HETATM 1680 O  O   . HOH F 5 .   ? -10.284 1.026   16.299  1.000 11.447 0 426 HOH A O   1 ? 
HETATM 1681 O  O   . HOH F 5 .   ? -4.017  1.479   -11.734 1.000 17.567 0 427 HOH A O   1 ? 
HETATM 1682 O  O   . HOH F 5 .   ? -18.313 7.440   17.667  1.000 30.596 0 428 HOH A O   1 ? 
HETATM 1683 O  O   . HOH F 5 .   ? 4.901   -1.907  -0.046  1.000 15.518 0 429 HOH A O   1 ? 
HETATM 1684 O  O   . HOH F 5 .   ? 17.944  1.083   7.792   1.000 31.976 0 430 HOH A O   1 ? 
HETATM 1685 O  O   . HOH F 5 .   ? 10.302  15.840  17.436  1.000 33.363 0 431 HOH A O   1 ? 
HETATM 1686 O  O   . HOH F 5 .   ? -15.496 -4.509  9.563   1.000 29.444 0 432 HOH A O   1 ? 
HETATM 1687 O  O   . HOH F 5 .   ? 14.412  7.253   21.305  1.000 21.650 0 433 HOH A O   1 ? 
HETATM 1688 O  O   . HOH F 5 .   ? 1.797   -9.531  0.590   1.000 31.454 0 434 HOH A O   1 ? 
HETATM 1689 O  O   . HOH F 5 .   ? -4.244  14.982  34.226  1.000 29.913 0 435 HOH A O   1 ? 
HETATM 1690 O  O   . HOH F 5 .   ? -16.362 2.015   -4.205  1.000 30.816 0 436 HOH A O   1 ? 
HETATM 1691 O  O   . HOH F 5 .   ? -21.441 12.344  11.254  1.000 39.123 0 437 HOH A O   1 ? 
HETATM 1692 O  O   . HOH F 5 .   ? 17.128  12.980  6.278   1.000 27.578 0 438 HOH A O   1 ? 
HETATM 1693 O  O   . HOH F 5 .   ? -9.601  -4.296  -8.254  1.000 22.761 0 439 HOH A O   1 ? 
HETATM 1694 O  O   . HOH F 5 .   ? 17.257  9.467   13.592  1.000 26.856 0 440 HOH A O   1 ? 
HETATM 1695 O  O   . HOH F 5 .   ? -21.037 10.994  -4.190  1.000 34.215 0 441 HOH A O   1 ? 
HETATM 1696 O  O   . HOH F 5 .   ? 18.435  13.748  8.245   1.000 23.952 0 442 HOH A O   1 ? 
HETATM 1697 O  O   . HOH F 5 .   ? 6.788   15.837  29.000  1.000 27.985 0 443 HOH A O   1 ? 
HETATM 1698 O  O   . HOH F 5 .   ? -0.388  -7.680  21.693  1.000 25.958 0 444 HOH A O   1 ? 
HETATM 1699 O  O   . HOH F 5 .   ? -17.332 1.320   18.185  1.000 41.324 0 445 HOH A O   1 ? 
HETATM 1700 O  O   . HOH F 5 .   ? 8.835   -3.961  -11.448 1.000 26.969 0 446 HOH A O   1 ? 
HETATM 1701 O  O   . HOH F 5 .   ? 2.517   6.909   8.265   1.000 9.189  0 447 HOH A O   1 ? 
HETATM 1702 O  O   . HOH F 5 .   ? 1.707   22.203  -1.427  1.000 29.967 0 448 HOH A O   1 ? 
HETATM 1703 O  O   . HOH F 5 .   ? -7.588  1.644   25.447  1.000 24.376 0 449 HOH A O   1 ? 
HETATM 1704 O  O   . HOH F 5 .   ? 10.688  2.071   26.871  1.000 25.107 0 450 HOH A O   1 ? 
HETATM 1705 O  O   . HOH F 5 .   ? 10.240  -0.346  25.376  1.000 16.929 0 451 HOH A O   1 ? 
HETATM 1706 O  O   . HOH F 5 .   ? -17.877 17.426  15.073  1.000 20.005 0 452 HOH A O   1 ? 
HETATM 1707 O  O   . HOH F 5 .   ? -18.379 10.421  15.203  1.000 24.916 0 453 HOH A O   1 ? 
HETATM 1708 O  O   . HOH F 5 .   ? -10.036 -3.596  3.981   1.000 20.890 0 454 HOH A O   1 ? 
HETATM 1709 O  O   . HOH F 5 .   ? -1.174  -6.961  16.920  1.000 25.330 0 455 HOH A O   1 ? 
HETATM 1710 O  O   . HOH F 5 .   ? 7.622   0.355   29.322  1.000 22.206 0 456 HOH A O   1 ? 
HETATM 1711 O  O   . HOH F 5 .   ? -3.933  20.009  9.224   1.000 36.056 0 457 HOH A O   1 ? 
HETATM 1712 O  O   . HOH F 5 .   ? -9.946  17.221  21.452  1.000 21.218 0 458 HOH A O   1 ? 
HETATM 1713 O  O   . HOH F 5 .   ? -7.348  20.095  9.535   1.000 15.062 0 459 HOH A O   1 ? 
HETATM 1714 O  O   . HOH F 5 .   ? -0.252  7.851   -12.321 1.000 18.769 0 460 HOH A O   1 ? 
HETATM 1715 O  O   . HOH F 5 .   ? 9.191   -7.054  -8.087  1.000 35.723 0 461 HOH A O   1 ? 
HETATM 1716 O  O   . HOH F 5 .   ? -25.042 2.713   -2.958  1.000 27.671 0 462 HOH A O   1 ? 
HETATM 1717 O  O   . HOH F 5 .   ? 15.221  11.579  19.397  1.000 29.091 0 463 HOH A O   1 ? 
HETATM 1718 O  O   . HOH F 5 .   ? 6.459   -0.286  -10.628 1.000 16.698 0 464 HOH A O   1 ? 
HETATM 1719 O  O   . HOH F 5 .   ? 14.322  2.042   -10.774 1.000 29.909 0 465 HOH A O   1 ? 
HETATM 1720 O  O   . HOH F 5 .   ? 11.865  -0.126  5.372   1.000 11.249 0 466 HOH A O   1 ? 
HETATM 1721 O  O   . HOH F 5 .   ? 10.667  -2.046  -3.483  1.000 15.244 0 467 HOH A O   1 ? 
HETATM 1722 O  O   . HOH F 5 .   ? 17.771  9.576   16.103  1.000 42.655 0 468 HOH A O   1 ? 
HETATM 1723 O  O   . HOH F 5 .   ? 1.435   -0.533  10.208  1.000 9.939  0 469 HOH A O   1 ? 
HETATM 1724 O  O   . HOH F 5 .   ? -9.431  27.236  14.446  1.000 12.835 0 470 HOH A O   1 ? 
HETATM 1725 O  O   . HOH F 5 .   ? -0.485  10.311  -10.946 1.000 18.787 0 471 HOH A O   1 ? 
HETATM 1726 O  O   . HOH F 5 .   ? 11.941  11.975  25.123  1.000 36.842 0 472 HOH A O   1 ? 
HETATM 1727 O  O   . HOH F 5 .   ? -7.622  -5.719  16.572  1.000 23.077 0 473 HOH A O   1 ? 
HETATM 1728 O  O   . HOH F 5 .   ? 7.779   9.000   -3.108  1.000 8.827  0 474 HOH A O   1 ? 
HETATM 1729 O  O   . HOH F 5 .   ? 4.612   7.085   22.946  1.000 12.210 0 475 HOH A O   1 ? 
HETATM 1730 O  O   . HOH F 5 .   ? -11.746 7.422   24.447  1.000 36.185 0 476 HOH A O   1 ? 
HETATM 1731 O  O   . HOH F 5 .   ? -4.416  5.021   7.791   1.000 12.213 0 477 HOH A O   1 ? 
HETATM 1732 O  O   . HOH F 5 .   ? -4.664  -6.708  25.077  1.000 31.420 0 478 HOH A O   1 ? 
HETATM 1733 O  O   . HOH F 5 .   ? 3.547   17.162  17.940  1.000 20.437 0 479 HOH A O   1 ? 
HETATM 1734 O  O   . HOH F 5 .   ? -5.249  19.934  5.951   1.000 32.906 0 480 HOH A O   1 ? 
HETATM 1735 O  O   . HOH F 5 .   ? 14.600  7.439   16.433  1.000 18.102 0 481 HOH A O   1 ? 
HETATM 1736 O  O   . HOH F 5 .   ? -2.000  -6.387  4.085   1.000 28.824 0 482 HOH A O   1 ? 
HETATM 1737 O  O   . HOH F 5 .   ? -11.642 -2.703  23.701  1.000 29.123 0 483 HOH A O   1 ? 
HETATM 1738 O  O   . HOH F 5 .   ? -4.648  -8.061  1.713   1.000 24.829 0 484 HOH A O   1 ? 
HETATM 1739 O  O   . HOH F 5 .   ? 9.678   7.547   10.327  1.000 8.114  0 485 HOH A O   1 ? 
HETATM 1740 O  O   . HOH F 5 .   ? 5.230   13.283  22.859  1.000 13.633 0 486 HOH A O   1 ? 
HETATM 1741 O  O   . HOH F 5 .   ? -15.137 18.436  18.705  1.000 16.148 0 487 HOH A O   1 ? 
HETATM 1742 O  O   . HOH F 5 .   ? -4.348  6.215   -12.921 1.000 27.229 0 488 HOH A O   1 ? 
HETATM 1743 O  O   . HOH F 5 .   ? 4.701   9.334   26.086  1.000 15.416 0 489 HOH A O   1 ? 
HETATM 1744 O  O   . HOH F 5 .   ? 3.666   -2.786  -7.514  1.000 12.728 0 490 HOH A O   1 ? 
HETATM 1745 O  O   . HOH F 5 .   ? 15.857  10.193  9.805   1.000 24.860 0 491 HOH A O   1 ? 
HETATM 1746 O  O   . HOH F 5 .   ? 15.557  0.023   16.342  1.000 24.391 0 492 HOH A O   1 ? 
HETATM 1747 O  O   . HOH F 5 .   ? 6.136   8.663   32.923  1.000 37.138 0 493 HOH A O   1 ? 
HETATM 1748 O  O   . HOH F 5 .   ? -0.978  3.635   30.866  1.000 34.057 0 494 HOH A O   1 ? 
HETATM 1749 O  O   . HOH F 5 .   ? 4.272   -7.838  1.762   1.000 23.180 0 495 HOH A O   1 ? 
HETATM 1750 O  O   . HOH F 5 .   ? 17.581  1.892   -3.191  1.000 21.379 0 496 HOH A O   1 ? 
HETATM 1751 O  O   . HOH F 5 .   ? 3.740   -7.679  17.374  1.000 32.614 0 497 HOH A O   1 ? 
HETATM 1752 O  O   . HOH F 5 .   ? -2.369  1.708   29.908  1.000 28.558 0 498 HOH A O   1 ? 
HETATM 1753 O  O   . HOH F 5 .   ? -1.562  16.489  14.354  1.000 16.211 0 499 HOH A O   1 ? 
HETATM 1754 O  O   . HOH F 5 .   ? 13.637  -3.778  -8.204  1.000 19.804 0 500 HOH A O   1 ? 
HETATM 1755 O  O   . HOH F 5 .   ? 1.657   0.053   -0.587  1.000 11.938 0 501 HOH A O   1 ? 
HETATM 1756 O  O   . HOH F 5 .   ? -9.343  13.755  28.046  1.000 21.479 0 502 HOH A O   1 ? 
HETATM 1757 O  O   . HOH F 5 .   ? -16.965 18.944  9.594   1.000 13.815 0 503 HOH A O   1 ? 
HETATM 1758 O  O   . HOH F 5 .   ? -6.334  15.198  -4.112  1.000 26.286 0 504 HOH A O   1 ? 
HETATM 1759 O  O   . HOH F 5 .   ? 17.350  19.114  14.064  1.000 44.772 0 505 HOH A O   1 ? 
HETATM 1760 O  O   . HOH F 5 .   ? 3.731   2.991   -0.396  1.000 9.336  0 506 HOH A O   1 ? 
HETATM 1761 O  O   . HOH F 5 .   ? -6.953  15.608  -11.414 1.000 34.541 0 507 HOH A O   1 ? 
HETATM 1762 O  O   . HOH F 5 .   ? -5.629  -7.460  6.469   1.000 25.078 0 508 HOH A O   1 ? 
HETATM 1763 O  O   . HOH F 5 .   ? 11.658  -0.005  18.151  1.000 18.883 0 509 HOH A O   1 ? 
HETATM 1764 O  O   . HOH F 5 .   ? 1.360   18.491  17.954  1.000 26.440 0 510 HOH A O   1 ? 
HETATM 1765 O  O   . HOH F 5 .   ? -5.482  -9.369  8.375   1.000 26.488 0 511 HOH A O   1 ? 
HETATM 1766 O  O   . HOH F 5 .   ? 4.246   8.489   6.636   1.000 7.272  0 512 HOH A O   1 ? 
HETATM 1767 O  O   . HOH F 5 .   ? 10.661  4.059   25.028  1.000 20.041 0 513 HOH A O   1 ? 
HETATM 1768 O  O   . HOH F 5 .   ? -0.748  18.545  25.855  1.000 38.846 0 514 HOH A O   1 ? 
HETATM 1769 O  O   . HOH F 5 .   ? 12.054  -6.828  1.820   1.000 16.878 0 515 HOH A O   1 ? 
HETATM 1770 O  O   . HOH F 5 .   ? -13.822 27.108  14.723  1.000 18.919 0 516 HOH A O   1 ? 
HETATM 1771 O  O   . HOH F 5 .   ? 7.479   7.507   24.198  1.000 19.851 0 517 HOH A O   1 ? 
HETATM 1772 O  O   . HOH F 5 .   ? 9.651   6.595   -5.114  1.000 11.879 0 518 HOH A O   1 ? 
HETATM 1773 O  O   . HOH F 5 .   ? -15.872 14.932  -1.438  1.000 13.564 0 519 HOH A O   1 ? 
HETATM 1774 O  O   . HOH F 5 .   ? 13.094  14.813  23.514  1.000 31.672 0 520 HOH A O   1 ? 
HETATM 1775 O  O   . HOH F 5 .   ? 2.814   14.395  -7.013  1.000 16.332 0 521 HOH A O   1 ? 
HETATM 1776 O  O   . HOH F 5 .   ? 9.423   0.235   -4.610  1.000 10.735 0 522 HOH A O   1 ? 
HETATM 1777 O  O   . HOH F 5 .   ? 8.509   -0.385  2.370   1.000 9.018  0 523 HOH A O   1 ? 
HETATM 1778 O  O   . HOH F 5 .   ? -12.206 -10.857 10.320  1.000 40.748 0 524 HOH A O   1 ? 
HETATM 1779 O  O   . HOH F 5 .   ? -19.188 -1.168  1.224   1.000 25.812 0 525 HOH A O   1 ? 
HETATM 1780 O  O   . HOH F 5 .   ? 10.274  12.203  -3.080  1.000 15.258 0 526 HOH A O   1 ? 
HETATM 1781 O  O   . HOH F 5 .   ? 8.754   -1.345  20.697  1.000 19.378 0 527 HOH A O   1 ? 
HETATM 1782 O  O   . HOH F 5 .   ? -25.931 5.220   -3.469  1.000 34.472 0 528 HOH A O   1 ? 
HETATM 1783 O  O   . HOH F 5 .   ? -1.186  -7.430  13.391  1.000 20.309 0 529 HOH A O   1 ? 
HETATM 1784 O  O   . HOH F 5 .   ? -3.246  8.395   -11.792 1.000 15.892 0 530 HOH A O   1 ? 
HETATM 1785 O  O   . HOH F 5 .   ? -3.596  12.876  -12.733 1.000 38.723 0 531 HOH A O   1 ? 
HETATM 1786 O  O   . HOH F 5 .   ? 16.311  4.698   -9.113  1.000 37.076 0 532 HOH A O   1 ? 
HETATM 1787 O  O   . HOH F 5 .   ? -9.183  15.620  34.096  1.000 30.090 0 533 HOH A O   1 ? 
HETATM 1788 O  O   . HOH F 5 .   ? -19.119 7.901   11.545  1.000 15.402 0 534 HOH A O   1 ? 
HETATM 1789 O  O   . HOH F 5 .   ? 8.555   17.172  14.105  1.000 26.652 0 535 HOH A O   1 ? 
HETATM 1790 O  O   . HOH F 5 .   ? 13.975  2.191   20.594  1.000 18.881 0 536 HOH A O   1 ? 
HETATM 1791 O  O   . HOH F 5 .   ? 12.659  5.244   14.145  1.000 15.664 0 537 HOH A O   1 ? 
HETATM 1792 O  O   . HOH F 5 .   ? -8.714  -5.815  -1.414  1.000 26.982 0 538 HOH A O   1 ? 
HETATM 1793 O  O   . HOH F 5 .   ? -14.409 3.682   -9.928  1.000 40.486 0 539 HOH A O   1 ? 
HETATM 1794 O  O   . HOH F 5 .   ? 6.164   -1.709  3.246   1.000 11.521 0 540 HOH A O   1 ? 
HETATM 1795 O  O   . HOH F 5 .   ? -0.767  -1.381  -12.629 1.000 38.254 0 541 HOH A O   1 ? 
HETATM 1796 O  O   . HOH F 5 .   ? -0.856  -0.445  27.795  1.000 22.529 0 542 HOH A O   1 ? 
HETATM 1797 O  O   . HOH F 5 .   ? -12.263 1.380   22.229  1.000 39.668 0 543 HOH A O   1 ? 
HETATM 1798 O  O   . HOH F 5 .   ? -9.892  0.194   19.079  1.000 22.049 0 544 HOH A O   1 ? 
HETATM 1799 O  O   . HOH F 5 .   ? -0.324  9.983   16.881  1.000 10.298 0 545 HOH A O   1 ? 
HETATM 1800 O  O   . HOH F 5 .   ? -8.247  12.240  16.738  1.000 11.326 0 546 HOH A O   1 ? 
HETATM 1801 O  O   . HOH F 5 .   ? 8.713   15.550  2.387   1.000 17.237 0 547 HOH A O   1 ? 
HETATM 1802 O  O   . HOH F 5 .   ? 3.643   1.412   27.384  1.000 15.559 0 548 HOH A O   1 ? 
HETATM 1803 O  O   . HOH F 5 .   ? 8.306   1.678   -10.263 1.000 21.428 0 549 HOH A O   1 ? 
HETATM 1804 O  O   . HOH F 5 .   ? 17.477  3.165   0.407   1.000 26.585 0 550 HOH A O   1 ? 
HETATM 1805 O  O   . HOH F 5 .   ? 6.070   10.598  -1.624  1.000 9.778  0 551 HOH A O   1 ? 
HETATM 1806 O  O   . HOH F 5 .   ? -13.180 20.997  10.851  1.000 15.703 0 552 HOH A O   1 ? 
HETATM 1807 O  O   . HOH F 5 .   ? -12.110 7.552   -9.923  1.000 29.204 0 553 HOH A O   1 ? 
HETATM 1808 O  O   . HOH F 5 .   ? 1.280   -5.487  9.609   1.000 16.439 0 554 HOH A O   1 ? 
HETATM 1809 O  O   . HOH F 5 .   ? -5.088  14.189  -7.656  1.000 19.223 0 555 HOH A O   1 ? 
HETATM 1810 O  O   . HOH F 5 .   ? -1.262  0.982   -10.998 1.000 17.103 0 556 HOH A O   1 ? 
HETATM 1811 O  O   . HOH F 5 .   ? -19.013 1.944   12.603  1.000 29.661 0 557 HOH A O   1 ? 
HETATM 1812 O  O   . HOH F 5 .   ? -15.984 -3.376  19.538  1.000 22.756 0 558 HOH A O   1 ? 
HETATM 1813 O  O   . HOH F 5 .   ? 3.492   4.137   -11.125 1.000 21.996 0 559 HOH A O   1 ? 
HETATM 1814 O  O   . HOH F 5 .   ? -8.022  19.308  6.962   1.000 22.089 0 560 HOH A O   1 ? 
HETATM 1815 O  O   . HOH F 5 .   ? 15.508  3.879   16.801  1.000 23.066 0 561 HOH A O   1 ? 
HETATM 1816 O  O   . HOH F 5 .   ? 15.119  7.023   -8.612  1.000 15.058 0 562 HOH A O   1 ? 
HETATM 1817 O  O   . HOH F 5 .   ? 4.817   0.453   1.496   1.000 10.967 0 563 HOH A O   1 ? 
HETATM 1818 O  O   . HOH F 5 .   ? 3.871   3.400   29.228  1.000 20.607 0 564 HOH A O   1 ? 
HETATM 1819 O  O   . HOH F 5 .   ? -13.851 10.610  31.867  1.000 47.496 0 565 HOH A O   1 ? 
HETATM 1820 O  O   . HOH F 5 .   ? 11.309  8.790   31.619  1.000 24.118 0 566 HOH A O   1 ? 
HETATM 1821 O  O   . HOH F 5 .   ? -18.845 10.727  17.949  1.000 30.029 0 567 HOH A O   1 ? 
HETATM 1822 O  O   . HOH F 5 .   ? -18.751 13.676  16.434  1.000 18.933 0 568 HOH A O   1 ? 
HETATM 1823 O  O   . HOH F 5 .   ? 0.950   -6.439  -9.875  1.000 25.835 0 569 HOH A O   1 ? 
HETATM 1824 O  O   . HOH F 5 .   ? -8.372  14.006  32.634  1.000 37.261 0 570 HOH A O   1 ? 
HETATM 1825 O  O   . HOH F 5 .   ? 14.469  12.790  3.776   1.000 14.154 0 571 HOH A O   1 ? 
HETATM 1826 O  O   . HOH F 5 .   ? -11.798 -7.136  14.461  1.000 25.051 0 572 HOH A O   1 ? 
HETATM 1827 O  O   . HOH F 5 .   ? 5.543   -5.095  -7.389  1.000 32.099 0 573 HOH A O   1 ? 
HETATM 1828 O  O   . HOH F 5 .   ? 9.199   13.523  -0.754  1.000 11.999 0 574 HOH A O   1 ? 
HETATM 1829 O  O   . HOH F 5 .   ? 0.442   15.334  -6.838  1.000 22.943 0 575 HOH A O   1 ? 
HETATM 1830 O  O   . HOH F 5 .   ? 16.214  6.433   5.853   1.000 23.783 0 576 HOH A O   1 ? 
HETATM 1831 O  O   . HOH F 5 .   ? -8.304  16.512  -2.399  1.000 28.909 0 577 HOH A O   1 ? 
HETATM 1832 O  O   . HOH F 5 .   ? 0.202   18.334  -6.166  1.000 38.008 0 578 HOH A O   1 ? 
HETATM 1833 O  O   . HOH F 5 .   ? -7.072  -8.460  4.249   1.000 29.420 0 579 HOH A O   1 ? 
HETATM 1834 O  O   . HOH F 5 .   ? 12.104  -5.622  10.350  1.000 24.335 0 580 HOH A O   1 ? 
HETATM 1835 O  O   . HOH F 5 .   ? 10.470  13.849  27.758  1.000 31.484 0 581 HOH A O   1 ? 
HETATM 1836 O  O   . HOH F 5 .   ? -6.448  5.098   25.078  1.000 15.111 0 582 HOH A O   1 ? 
HETATM 1837 O  O   . HOH F 5 .   ? -17.577 20.250  14.918  1.000 28.552 0 583 HOH A O   1 ? 
HETATM 1838 O  O   . HOH F 5 .   ? 14.686  -3.364  3.151   1.000 17.356 0 584 HOH A O   1 ? 
HETATM 1839 O  O   . HOH F 5 .   ? -17.817 -3.407  12.825  1.000 41.690 0 585 HOH A O   1 ? 
HETATM 1840 O  O   . HOH F 5 .   ? -6.126  18.966  21.885  1.000 31.448 0 586 HOH A O   1 ? 
HETATM 1841 O  O   . HOH F 5 .   ? -13.662 -5.347  21.508  1.000 29.648 0 587 HOH A O   1 ? 
HETATM 1842 O  O   . HOH F 5 .   ? 9.305   -4.873  -10.029 1.000 26.047 0 588 HOH A O   1 ? 
HETATM 1843 O  O   . HOH F 5 .   ? -11.364 -8.121  5.199   1.000 34.832 0 589 HOH A O   1 ? 
HETATM 1844 O  O   . HOH F 5 .   ? 0.249   -5.828  14.553  1.000 30.731 0 590 HOH A O   1 ? 
HETATM 1845 O  O   . HOH F 5 .   ? -1.376  13.767  -9.092  1.000 27.893 0 591 HOH A O   1 ? 
HETATM 1846 O  O   . HOH F 5 .   ? -9.288  0.925   -12.690 1.000 28.882 0 592 HOH A O   1 ? 
HETATM 1847 O  O   . HOH F 5 .   ? 5.220   9.699   23.256  1.000 16.280 0 593 HOH A O   1 ? 
HETATM 1848 O  O   . HOH F 5 .   ? -13.232 -2.839  1.075   1.000 36.909 0 594 HOH A O   1 ? 
HETATM 1849 O  O   . HOH F 5 .   ? -23.404 9.264   -4.469  1.000 39.098 0 595 HOH A O   1 ? 
HETATM 1850 O  O   . HOH F 5 .   ? -4.963  -2.621  -11.777 1.000 38.567 0 596 HOH A O   1 ? 
HETATM 1851 O  O   . HOH F 5 .   ? -16.802 17.146  6.012   1.000 16.481 0 597 HOH A O   1 ? 
HETATM 1852 O  O   . HOH F 5 .   ? 15.868  2.976   13.117  1.000 32.243 0 598 HOH A O   1 ? 
HETATM 1853 O  O   . HOH F 5 .   ? -14.618 23.749  17.748  1.000 22.269 0 599 HOH A O   1 ? 
HETATM 1854 O  O   . HOH F 5 .   ? -10.873 11.099  16.238  1.000 11.184 0 600 HOH A O   1 ? 
HETATM 1855 O  O   . HOH F 5 .   ? -8.626  9.330   33.679  1.000 32.221 0 601 HOH A O   1 ? 
HETATM 1856 O  O   . HOH F 5 .   ? 12.216  -5.665  -6.592  1.000 16.815 0 602 HOH A O   1 ? 
HETATM 1857 O  O   . HOH F 5 .   ? -17.552 12.813  20.082  1.000 28.651 0 603 HOH A O   1 ? 
HETATM 1858 O  O   . HOH F 5 .   ? -12.047 -4.982  5.419   1.000 27.766 0 604 HOH A O   1 ? 
HETATM 1859 O  O   . HOH F 5 .   ? -8.159  12.319  -14.887 1.000 38.400 0 605 HOH A O   1 ? 
HETATM 1860 O  O   . HOH F 5 .   ? -2.260  -8.383  -2.263  1.000 22.740 0 606 HOH A O   1 ? 
HETATM 1861 O  O   . HOH F 5 .   ? 16.586  -0.398  12.040  1.000 20.692 0 607 HOH A O   1 ? 
HETATM 1862 O  O   . HOH F 5 .   ? -6.006  21.841  12.844  1.000 27.693 0 608 HOH A O   1 ? 
HETATM 1863 O  O   . HOH F 5 .   ? -4.175  -5.477  -12.126 1.000 42.240 0 609 HOH A O   1 ? 
HETATM 1864 O  O   . HOH F 5 .   ? -5.570  -6.343  -8.322  1.000 23.917 0 610 HOH A O   1 ? 
HETATM 1865 O  O   . HOH F 5 .   ? -16.628 -1.869  15.080  1.000 32.353 0 611 HOH A O   1 ? 
HETATM 1866 O  O   . HOH F 5 .   ? -5.007  22.135  -0.347  1.000 23.402 0 612 HOH A O   1 ? 
HETATM 1867 O  O   . HOH F 5 .   ? -9.783  -4.817  -3.618  1.000 20.229 0 613 HOH A O   1 ? 
HETATM 1868 O  O   . HOH F 5 .   ? -9.139  -12.058 11.881  1.000 23.742 0 614 HOH A O   1 ? 
HETATM 1869 O  O   . HOH F 5 .   ? -22.631 7.043   6.994   1.000 35.806 0 615 HOH A O   1 ? 
HETATM 1870 O  O   . HOH F 5 .   ? -9.914  -9.003  21.910  1.000 39.526 0 616 HOH A O   1 ? 
HETATM 1871 O  O   . HOH F 5 .   ? 2.629   -10.906 -6.355  1.000 26.606 0 617 HOH A O   1 ? 
HETATM 1872 O  O   . HOH F 5 .   ? 3.872   -6.345  8.705   1.000 36.024 0 618 HOH A O   1 ? 
HETATM 1873 O  O   . HOH F 5 .   ? -10.576 14.324  30.450  1.000 27.024 0 619 HOH A O   1 ? 
HETATM 1874 O  O   . HOH F 5 .   ? -16.357 11.586  23.770  1.000 33.194 0 620 HOH A O   1 ? 
HETATM 1875 O  O   . HOH F 5 .   ? 8.272   14.147  -4.261  1.000 13.245 0 621 HOH A O   1 ? 
HETATM 1876 O  O   . HOH F 5 .   ? -4.668  7.489   34.951  1.000 41.285 0 622 HOH A O   1 ? 
HETATM 1877 O  O   . HOH F 5 .   ? -19.418 4.949   11.362  1.000 18.167 0 623 HOH A O   1 ? 
HETATM 1878 O  O   . HOH F 5 .   ? -4.618  21.802  2.529   1.000 27.261 0 624 HOH A O   1 ? 
HETATM 1879 O  O   . HOH F 5 .   ? -17.002 17.010  17.500  1.000 17.289 0 625 HOH A O   1 ? 
HETATM 1880 O  O   . HOH F 5 .   ? 9.326   -7.165  7.971   1.000 33.337 0 626 HOH A O   1 ? 
HETATM 1881 O  O   . HOH F 5 .   ? -13.215 16.177  24.810  1.000 26.588 0 627 HOH A O   1 ? 
HETATM 1882 O  O   . HOH F 5 .   ? -18.245 -5.219  17.558  1.000 51.129 0 628 HOH A O   1 ? 
HETATM 1883 O  O   . HOH F 5 .   ? -4.823  -8.814  21.974  1.000 40.970 0 629 HOH A O   1 ? 
HETATM 1884 O  O   . HOH F 5 .   ? 11.449  2.206   30.909  1.000 19.565 0 630 HOH A O   1 ? 
HETATM 1885 O  O   . HOH F 5 .   ? -8.620  1.092   29.485  1.000 36.108 0 631 HOH A O   1 ? 
HETATM 1886 O  O   . HOH F 5 .   ? 16.087  9.910   18.037  1.000 38.249 0 632 HOH A O   1 ? 
HETATM 1887 O  O   . HOH F 5 .   ? -4.544  -7.417  -0.975  1.000 17.725 0 633 HOH A O   1 ? 
HETATM 1888 O  O   . HOH F 5 .   ? -21.894 15.857  14.441  1.000 35.586 0 634 HOH A O   1 ? 
HETATM 1889 O  O   . HOH F 5 .   ? -20.884 8.750   -6.691  1.000 32.381 0 635 HOH A O   1 ? 
HETATM 1890 O  O   . HOH F 5 .   ? -18.764 7.700   14.158  1.000 26.268 0 636 HOH A O   1 ? 
HETATM 1891 O  O   . HOH F 5 .   ? 5.130   -7.575  -6.304  1.000 24.906 0 637 HOH A O   1 ? 
HETATM 1892 O  O   . HOH F 5 .   ? 0.105   3.244   -11.542 1.000 29.444 0 638 HOH A O   1 ? 
HETATM 1893 O  O   . HOH F 5 .   ? 13.061  6.230   27.711  1.000 33.631 0 639 HOH A O   1 ? 
HETATM 1894 O  O   . HOH F 5 .   ? 2.241   -5.717  16.322  1.000 30.800 0 640 HOH A O   1 ? 
HETATM 1895 O  O   . HOH F 5 .   ? 0.978   19.826  29.597  1.000 34.002 0 641 HOH A O   1 ? 
HETATM 1896 O  O   . HOH F 5 .   ? -8.864  2.465   31.569  1.000 31.206 0 642 HOH A O   1 ? 
HETATM 1897 O  O   . HOH F 5 .   ? 16.890  5.707   8.131   1.000 47.233 0 643 HOH A O   1 ? 
HETATM 1898 O  O   . HOH F 5 .   ? -11.823 -0.674  -10.408 1.000 38.929 0 644 HOH A O   1 ? 
HETATM 1899 O  O   . HOH F 5 .   ? -11.180 7.358   26.950  1.000 40.596 0 645 HOH A O   1 ? 
HETATM 1900 O  O   . HOH F 5 .   ? -20.576 11.501  13.455  1.000 44.195 0 646 HOH A O   1 ? 
HETATM 1901 O  O   . HOH F 5 .   ? 3.234   17.093  -7.659  1.000 31.363 0 647 HOH A O   1 ? 
HETATM 1902 O  O   . HOH F 5 .   ? -22.516 5.302   9.289   1.000 48.812 0 648 HOH A O   1 ? 
HETATM 1903 O  O   . HOH F 5 .   ? -6.972  -6.089  19.354  1.000 34.452 0 649 HOH A O   1 ? 
HETATM 1904 O  O   . HOH F 5 .   ? 4.227   -6.589  25.290  1.000 32.957 0 650 HOH A O   1 ? 
HETATM 1905 O  O   . HOH F 5 .   ? -14.378 16.898  20.659  1.000 25.412 0 651 HOH A O   1 ? 
HETATM 1906 O  O   . HOH F 5 .   ? 4.788   -12.223 -6.147  1.000 44.383 0 652 HOH A O   1 ? 
HETATM 1907 O  O   . HOH F 5 .   ? -3.381  10.592  -13.731 1.000 30.095 0 653 HOH A O   1 ? 
HETATM 1908 O  O   . HOH F 5 .   ? -16.007 20.934  19.838  1.000 22.477 0 654 HOH A O   1 ? 
HETATM 1909 O  O   . HOH F 5 .   ? -14.076 22.764  12.759  1.000 18.937 0 655 HOH A O   1 ? 
HETATM 1910 O  O   . HOH F 5 .   ? 13.413  -6.974  8.462   1.000 36.014 0 656 HOH A O   1 ? 
HETATM 1911 O  O   . HOH F 5 .   ? -17.917 -2.505  17.386  1.000 35.431 0 657 HOH A O   1 ? 
HETATM 1912 O  O   . HOH F 5 .   ? 6.748   -12.533 -2.495  1.000 31.504 0 658 HOH A O   1 ? 
HETATM 1913 O  O   . HOH F 5 .   ? -1.519  18.214  4.853   1.000 30.832 0 659 HOH A O   1 ? 
HETATM 1914 O  O   . HOH F 5 .   ? 1.314   21.203  25.878  1.000 36.769 0 660 HOH A O   1 ? 
HETATM 1915 O  O   . HOH F 5 .   ? 3.253   14.042  -9.462  1.000 22.547 0 661 HOH A O   1 ? 
HETATM 1916 O  O   . HOH F 5 .   ? -1.126  18.665  21.578  1.000 25.716 0 662 HOH A O   1 ? 
HETATM 1917 O  O   . HOH F 5 .   ? 10.384  8.812   -6.671  1.000 17.562 0 663 HOH A O   1 ? 
HETATM 1918 O  O   . HOH F 5 .   ? 12.570  0.716   -11.612 1.000 29.803 0 664 HOH A O   1 ? 
HETATM 1919 O  O   . HOH F 5 .   ? 16.780  6.856   11.700  1.000 38.858 0 665 HOH A O   1 ? 
HETATM 1920 O  O   . HOH F 5 .   ? -9.864  22.061  21.480  1.000 34.085 0 666 HOH A O   1 ? 
HETATM 1921 O  O   . HOH F 5 .   ? -20.488 17.356  14.545  1.000 32.312 0 667 HOH A O   1 ? 
HETATM 1922 O  O   . HOH F 5 .   ? 6.256   4.011   -10.768 1.000 32.085 0 668 HOH A O   1 ? 
HETATM 1923 O  O   . HOH F 5 .   ? 15.723  7.445   19.010  1.000 35.623 0 669 HOH A O   1 ? 
HETATM 1924 O  O   . HOH F 5 .   ? 19.011  3.810   -1.861  1.000 23.403 0 670 HOH A O   1 ? 
HETATM 1925 O  O   . HOH F 5 .   ? 4.391   -2.698  -9.980  1.000 32.003 0 671 HOH A O   1 ? 
HETATM 1926 O  O   . HOH F 5 .   ? -13.178 13.185  32.477  1.000 54.626 0 672 HOH A O   1 ? 
HETATM 1927 O  O   . HOH F 5 .   ? -16.950 15.445  21.800  1.000 26.717 0 673 HOH A O   1 ? 
HETATM 1928 O  O   . HOH F 5 .   ? -14.184 4.823   29.176  1.000 39.445 0 674 HOH A O   1 ? 
HETATM 1929 O  O   . HOH F 5 .   ? 14.221  -5.382  11.941  1.000 20.821 0 675 HOH A O   1 ? 
HETATM 1930 O  O   . HOH F 5 .   ? -12.626 17.379  22.468  1.000 20.772 0 676 HOH A O   1 ? 
HETATM 1931 O  O   . HOH F 5 .   ? -5.620  21.454  20.600  1.000 43.443 0 677 HOH A O   1 ? 
HETATM 1932 O  O   . HOH F 5 .   ? -12.817 21.266  28.021  1.000 26.153 0 678 HOH A O   1 ? 
HETATM 1933 O  O   . HOH F 5 .   ? -8.456  23.721  -4.523  1.000 30.065 0 679 HOH A O   1 ? 
HETATM 1934 O  O   . HOH F 5 .   ? 15.369  5.772   13.710  1.000 26.502 0 680 HOH A O   1 ? 
HETATM 1935 O  O   . HOH F 5 .   ? 0.302   12.346  -12.855 1.000 30.501 0 681 HOH A O   1 ? 
HETATM 1936 O  O   . HOH F 5 .   ? 3.089   -9.482  14.088  1.000 29.785 0 682 HOH A O   1 ? 
HETATM 1937 O  O   . HOH F 5 .   ? -18.450 20.583  11.343  1.000 29.817 0 683 HOH A O   1 ? 
HETATM 1938 O  O   . HOH F 5 .   ? -14.166 22.335  32.396  1.000 20.091 0 684 HOH A O   1 ? 
HETATM 1939 O  O   . HOH F 5 .   ? -8.992  1.871   22.957  1.000 33.114 0 685 HOH A O   1 ? 
HETATM 1940 O  O   . HOH F 5 .   ? 15.287  -4.996  7.273   1.000 46.307 0 686 HOH A O   1 ? 
HETATM 1941 O  O   . HOH F 5 .   ? -18.376 4.317   21.265  1.000 35.355 0 687 HOH A O   1 ? 
HETATM 1942 O  O   . HOH F 5 .   ? 2.264   -8.723  -10.026 1.000 32.590 0 688 HOH A O   1 ? 
HETATM 1943 O  O   . HOH F 5 .   ? -14.196 6.089   25.950  1.000 39.559 0 689 HOH A O   1 ? 
HETATM 1944 O  O   . HOH F 5 .   ? 18.729  -1.666  8.283   1.000 33.975 0 690 HOH A O   1 ? 
HETATM 1945 O  O   . HOH F 5 .   ? 11.546  -7.578  -8.229  1.000 30.727 0 691 HOH A O   1 ? 
HETATM 1946 O  O   . HOH F 5 .   ? -6.712  -8.351  -2.254  1.000 34.642 0 692 HOH A O   1 ? 
HETATM 1947 O  O   . HOH F 5 .   ? -8.219  1.222   20.385  1.000 31.127 0 693 HOH A O   1 ? 
HETATM 1948 O  O   . HOH F 5 .   ? -1.198  20.543  5.043   1.000 42.402 0 694 HOH A O   1 ? 
HETATM 1949 O  O   . HOH F 5 .   ? 13.243  -2.647  -2.955  1.000 23.367 0 695 HOH A O   1 ? 
HETATM 1950 O  O   . HOH F 5 .   ? 17.292  0.746   1.285   1.000 23.443 0 696 HOH A O   1 ? 
HETATM 1951 O  O   . HOH F 5 .   ? 8.712   7.956   33.331  1.000 37.051 0 697 HOH A O   1 ? 
HETATM 1952 O  O   . HOH F 5 .   ? 16.635  7.816   9.257   1.000 42.458 0 698 HOH A O   1 ? 
HETATM 1953 O  O   . HOH F 5 .   ? 17.114  -3.553  8.464   1.000 43.522 0 699 HOH A O   1 ? 
HETATM 1954 O  O   . HOH F 5 .   ? 16.915  0.053   4.002   1.000 19.830 0 700 HOH A O   1 ? 
HETATM 1955 O  O   . HOH F 5 .   ? 2.696   -9.637  18.378  1.000 31.793 0 701 HOH A O   1 ? 
HETATM 1956 O  O   . HOH F 5 .   ? 13.070  -5.666  -2.337  1.000 21.866 0 702 HOH A O   1 ? 
HETATM 1957 O  O   . HOH F 5 .   ? 18.267  2.022   5.352   1.000 29.878 0 703 HOH A O   1 ? 
HETATM 1958 O  O   . HOH F 5 .   ? 16.018  -4.315  5.502   1.000 34.297 0 704 HOH A O   1 ? 
HETATM 1959 O  O   . HOH F 5 .   ? -4.067  19.920  12.047  1.000 32.520 0 705 HOH A O   1 ? 
HETATM 1960 O  O   . HOH F 5 .   ? -16.140 14.221  24.196  1.000 35.578 0 706 HOH A O   1 ? 
HETATM 1961 O  O   . HOH F 5 .   ? 5.670   -0.455  28.007  1.000 20.324 0 707 HOH A O   1 ? 
HETATM 1962 O  O   . HOH F 5 .   ? 15.770  -4.116  0.704   1.000 20.287 0 708 HOH A O   1 ? 
HETATM 1963 O  O   . HOH F 5 .   ? 1.736   -0.249  28.212  1.000 19.386 0 709 HOH A O   1 ? 
HETATM 1964 O  O   . HOH F 5 .   ? -7.030  22.248  6.100   1.000 41.787 0 710 HOH A O   1 ? 
HETATM 1965 O  O   . HOH F 5 .   ? 1.614   2.815   30.973  1.000 29.785 0 711 HOH A O   1 ? 
HETATM 1966 O  O   . HOH F 5 .   ? 18.394  -2.152  4.663   1.000 34.007 0 712 HOH A O   1 ? 
HETATM 1967 O  O   . HOH F 5 .   ? 1.659   0.184   30.844  1.000 27.170 0 713 HOH A O   1 ? 
# 
