data_9AW1
# 
_entry.id   9AW1 
# 
_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   9AW1         pdb_00009aw1 10.2210/pdb9aw1/pdb 
WWPDB D_1000282137 ?            ?                   
# 
_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                        9AW1 
_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 125 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   1   ?        ? ? ? 
4 non-polymer syn GLYCEROL           92.094    1   ?        ? ? ? 
5 water       nat water              18.015    342 ?        ? ? ? 
# 
_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' ? 
# 
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 4 GOL 1   303 301 GOL GOL A . 
E 5 HOH 1   401 318 HOH HOH A . 
E 5 HOH 2   402 275 HOH HOH A . 
E 5 HOH 3   403 215 HOH HOH A . 
E 5 HOH 4   404 291 HOH HOH A . 
E 5 HOH 5   405 122 HOH HOH A . 
E 5 HOH 6   406 150 HOH HOH A . 
E 5 HOH 7   407 145 HOH HOH A . 
E 5 HOH 8   408 86  HOH HOH A . 
E 5 HOH 9   409 6   HOH HOH A . 
E 5 HOH 10  410 105 HOH HOH A . 
E 5 HOH 11  411 156 HOH HOH A . 
E 5 HOH 12  412 278 HOH HOH A . 
E 5 HOH 13  413 133 HOH HOH A . 
E 5 HOH 14  414 269 HOH HOH A . 
E 5 HOH 15  415 48  HOH HOH A . 
E 5 HOH 16  416 3   HOH HOH A . 
E 5 HOH 17  417 172 HOH HOH A . 
E 5 HOH 18  418 27  HOH HOH A . 
E 5 HOH 19  419 267 HOH HOH A . 
E 5 HOH 20  420 200 HOH HOH A . 
E 5 HOH 21  421 224 HOH HOH A . 
E 5 HOH 22  422 112 HOH HOH A . 
E 5 HOH 23  423 69  HOH HOH A . 
E 5 HOH 24  424 293 HOH HOH A . 
E 5 HOH 25  425 157 HOH HOH A . 
E 5 HOH 26  426 178 HOH HOH A . 
E 5 HOH 27  427 140 HOH HOH A . 
E 5 HOH 28  428 256 HOH HOH A . 
E 5 HOH 29  429 120 HOH HOH A . 
E 5 HOH 30  430 46  HOH HOH A . 
E 5 HOH 31  431 273 HOH HOH A . 
E 5 HOH 32  432 316 HOH HOH A . 
E 5 HOH 33  433 313 HOH HOH A . 
E 5 HOH 34  434 15  HOH HOH A . 
E 5 HOH 35  435 264 HOH HOH A . 
E 5 HOH 36  436 143 HOH HOH A . 
E 5 HOH 37  437 111 HOH HOH A . 
E 5 HOH 38  438 31  HOH HOH A . 
E 5 HOH 39  439 97  HOH HOH A . 
E 5 HOH 40  440 1   HOH HOH A . 
E 5 HOH 41  441 95  HOH HOH A . 
E 5 HOH 42  442 67  HOH HOH A . 
E 5 HOH 43  443 272 HOH HOH A . 
E 5 HOH 44  444 218 HOH HOH A . 
E 5 HOH 45  445 198 HOH HOH A . 
E 5 HOH 46  446 26  HOH HOH A . 
E 5 HOH 47  447 161 HOH HOH A . 
E 5 HOH 48  448 261 HOH HOH A . 
E 5 HOH 49  449 237 HOH HOH A . 
E 5 HOH 50  450 177 HOH HOH A . 
E 5 HOH 51  451 297 HOH HOH A . 
E 5 HOH 52  452 103 HOH HOH A . 
E 5 HOH 53  453 63  HOH HOH A . 
E 5 HOH 54  454 173 HOH HOH A . 
E 5 HOH 55  455 124 HOH HOH A . 
E 5 HOH 56  456 107 HOH HOH A . 
E 5 HOH 57  457 279 HOH HOH A . 
E 5 HOH 58  458 60  HOH HOH A . 
E 5 HOH 59  459 276 HOH HOH A . 
E 5 HOH 60  460 338 HOH HOH A . 
E 5 HOH 61  461 277 HOH HOH A . 
E 5 HOH 62  462 238 HOH HOH A . 
E 5 HOH 63  463 194 HOH HOH A . 
E 5 HOH 64  464 72  HOH HOH A . 
E 5 HOH 65  465 298 HOH HOH A . 
E 5 HOH 66  466 174 HOH HOH A . 
E 5 HOH 67  467 109 HOH HOH A . 
E 5 HOH 68  468 160 HOH HOH A . 
E 5 HOH 69  469 52  HOH HOH A . 
E 5 HOH 70  470 188 HOH HOH A . 
E 5 HOH 71  471 51  HOH HOH A . 
E 5 HOH 72  472 102 HOH HOH A . 
E 5 HOH 73  473 4   HOH HOH A . 
E 5 HOH 74  474 132 HOH HOH A . 
E 5 HOH 75  475 59  HOH HOH A . 
E 5 HOH 76  476 294 HOH HOH A . 
E 5 HOH 77  477 303 HOH HOH A . 
E 5 HOH 78  478 123 HOH HOH A . 
E 5 HOH 79  479 49  HOH HOH A . 
E 5 HOH 80  480 190 HOH HOH A . 
E 5 HOH 81  481 231 HOH HOH A . 
E 5 HOH 82  482 9   HOH HOH A . 
E 5 HOH 83  483 296 HOH HOH A . 
E 5 HOH 84  484 13  HOH HOH A . 
E 5 HOH 85  485 164 HOH HOH A . 
E 5 HOH 86  486 5   HOH HOH A . 
E 5 HOH 87  487 47  HOH HOH A . 
E 5 HOH 88  488 149 HOH HOH A . 
E 5 HOH 89  489 254 HOH HOH A . 
E 5 HOH 90  490 229 HOH HOH A . 
E 5 HOH 91  491 88  HOH HOH A . 
E 5 HOH 92  492 61  HOH HOH A . 
E 5 HOH 93  493 265 HOH HOH A . 
E 5 HOH 94  494 304 HOH HOH A . 
E 5 HOH 95  495 71  HOH HOH A . 
E 5 HOH 96  496 33  HOH HOH A . 
E 5 HOH 97  497 94  HOH HOH A . 
E 5 HOH 98  498 270 HOH HOH A . 
E 5 HOH 99  499 205 HOH HOH A . 
E 5 HOH 100 500 74  HOH HOH A . 
E 5 HOH 101 501 165 HOH HOH A . 
E 5 HOH 102 502 58  HOH HOH A . 
E 5 HOH 103 503 119 HOH HOH A . 
E 5 HOH 104 504 77  HOH HOH A . 
E 5 HOH 105 505 163 HOH HOH A . 
E 5 HOH 106 506 96  HOH HOH A . 
E 5 HOH 107 507 153 HOH HOH A . 
E 5 HOH 108 508 2   HOH HOH A . 
E 5 HOH 109 509 16  HOH HOH A . 
E 5 HOH 110 510 162 HOH HOH A . 
E 5 HOH 111 511 66  HOH HOH A . 
E 5 HOH 112 512 21  HOH HOH A . 
E 5 HOH 113 513 14  HOH HOH A . 
E 5 HOH 114 514 93  HOH HOH A . 
E 5 HOH 115 515 199 HOH HOH A . 
E 5 HOH 116 516 115 HOH HOH A . 
E 5 HOH 117 517 232 HOH HOH A . 
E 5 HOH 118 518 307 HOH HOH A . 
E 5 HOH 119 519 292 HOH HOH A . 
E 5 HOH 120 520 34  HOH HOH A . 
E 5 HOH 121 521 216 HOH HOH A . 
E 5 HOH 122 522 91  HOH HOH A . 
E 5 HOH 123 523 187 HOH HOH A . 
E 5 HOH 124 524 255 HOH HOH A . 
E 5 HOH 125 525 45  HOH HOH A . 
E 5 HOH 126 526 138 HOH HOH A . 
E 5 HOH 127 527 29  HOH HOH A . 
E 5 HOH 128 528 121 HOH HOH A . 
E 5 HOH 129 529 130 HOH HOH A . 
E 5 HOH 130 530 282 HOH HOH A . 
E 5 HOH 131 531 179 HOH HOH A . 
E 5 HOH 132 532 308 HOH HOH A . 
E 5 HOH 133 533 10  HOH HOH A . 
E 5 HOH 134 534 104 HOH HOH A . 
E 5 HOH 135 535 252 HOH HOH A . 
E 5 HOH 136 536 129 HOH HOH A . 
E 5 HOH 137 537 81  HOH HOH A . 
E 5 HOH 138 538 25  HOH HOH A . 
E 5 HOH 139 539 223 HOH HOH A . 
E 5 HOH 140 540 55  HOH HOH A . 
E 5 HOH 141 541 92  HOH HOH A . 
E 5 HOH 142 542 85  HOH HOH A . 
E 5 HOH 143 543 182 HOH HOH A . 
E 5 HOH 144 544 213 HOH HOH A . 
E 5 HOH 145 545 8   HOH HOH A . 
E 5 HOH 146 546 113 HOH HOH A . 
E 5 HOH 147 547 167 HOH HOH A . 
E 5 HOH 148 548 241 HOH HOH A . 
E 5 HOH 149 549 75  HOH HOH A . 
E 5 HOH 150 550 28  HOH HOH A . 
E 5 HOH 151 551 53  HOH HOH A . 
E 5 HOH 152 552 19  HOH HOH A . 
E 5 HOH 153 553 135 HOH HOH A . 
E 5 HOH 154 554 181 HOH HOH A . 
E 5 HOH 155 555 7   HOH HOH A . 
E 5 HOH 156 556 35  HOH HOH A . 
E 5 HOH 157 557 87  HOH HOH A . 
E 5 HOH 158 558 68  HOH HOH A . 
E 5 HOH 159 559 274 HOH HOH A . 
E 5 HOH 160 560 43  HOH HOH A . 
E 5 HOH 161 561 134 HOH HOH A . 
E 5 HOH 162 562 82  HOH HOH A . 
E 5 HOH 163 563 212 HOH HOH A . 
E 5 HOH 164 564 245 HOH HOH A . 
E 5 HOH 165 565 228 HOH HOH A . 
E 5 HOH 166 566 289 HOH HOH A . 
E 5 HOH 167 567 285 HOH HOH A . 
E 5 HOH 168 568 84  HOH HOH A . 
E 5 HOH 169 569 169 HOH HOH A . 
E 5 HOH 170 570 18  HOH HOH A . 
E 5 HOH 171 571 141 HOH HOH A . 
E 5 HOH 172 572 322 HOH HOH A . 
E 5 HOH 173 573 108 HOH HOH A . 
E 5 HOH 174 574 310 HOH HOH A . 
E 5 HOH 175 575 38  HOH HOH A . 
E 5 HOH 176 576 249 HOH HOH A . 
E 5 HOH 177 577 154 HOH HOH A . 
E 5 HOH 178 578 251 HOH HOH A . 
E 5 HOH 179 579 142 HOH HOH A . 
E 5 HOH 180 580 311 HOH HOH A . 
E 5 HOH 181 581 305 HOH HOH A . 
E 5 HOH 182 582 209 HOH HOH A . 
E 5 HOH 183 583 37  HOH HOH A . 
E 5 HOH 184 584 23  HOH HOH A . 
E 5 HOH 185 585 300 HOH HOH A . 
E 5 HOH 186 586 302 HOH HOH A . 
E 5 HOH 187 587 70  HOH HOH A . 
E 5 HOH 188 588 54  HOH HOH A . 
E 5 HOH 189 589 131 HOH HOH A . 
E 5 HOH 190 590 32  HOH HOH A . 
E 5 HOH 191 591 17  HOH HOH A . 
E 5 HOH 192 592 39  HOH HOH A . 
E 5 HOH 193 593 221 HOH HOH A . 
E 5 HOH 194 594 222 HOH HOH A . 
E 5 HOH 195 595 11  HOH HOH A . 
E 5 HOH 196 596 79  HOH HOH A . 
E 5 HOH 197 597 295 HOH HOH A . 
E 5 HOH 198 598 101 HOH HOH A . 
E 5 HOH 199 599 125 HOH HOH A . 
E 5 HOH 200 600 193 HOH HOH A . 
E 5 HOH 201 601 186 HOH HOH A . 
E 5 HOH 202 602 30  HOH HOH A . 
E 5 HOH 203 603 250 HOH HOH A . 
E 5 HOH 204 604 148 HOH HOH A . 
E 5 HOH 205 605 266 HOH HOH A . 
E 5 HOH 206 606 234 HOH HOH A . 
E 5 HOH 207 607 118 HOH HOH A . 
E 5 HOH 208 608 260 HOH HOH A . 
E 5 HOH 209 609 24  HOH HOH A . 
E 5 HOH 210 610 36  HOH HOH A . 
E 5 HOH 211 611 315 HOH HOH A . 
E 5 HOH 212 612 40  HOH HOH A . 
E 5 HOH 213 613 64  HOH HOH A . 
E 5 HOH 214 614 175 HOH HOH A . 
E 5 HOH 215 615 50  HOH HOH A . 
E 5 HOH 216 616 20  HOH HOH A . 
E 5 HOH 217 617 83  HOH HOH A . 
E 5 HOH 218 618 44  HOH HOH A . 
E 5 HOH 219 619 139 HOH HOH A . 
E 5 HOH 220 620 12  HOH HOH A . 
E 5 HOH 221 621 22  HOH HOH A . 
E 5 HOH 222 622 306 HOH HOH A . 
E 5 HOH 223 623 42  HOH HOH A . 
E 5 HOH 224 624 126 HOH HOH A . 
E 5 HOH 225 625 284 HOH HOH A . 
E 5 HOH 226 626 185 HOH HOH A . 
E 5 HOH 227 627 262 HOH HOH A . 
E 5 HOH 228 628 114 HOH HOH A . 
E 5 HOH 229 629 90  HOH HOH A . 
E 5 HOH 230 630 171 HOH HOH A . 
E 5 HOH 231 631 176 HOH HOH A . 
E 5 HOH 232 632 76  HOH HOH A . 
E 5 HOH 233 633 147 HOH HOH A . 
E 5 HOH 234 634 180 HOH HOH A . 
E 5 HOH 235 635 207 HOH HOH A . 
E 5 HOH 236 636 258 HOH HOH A . 
E 5 HOH 237 637 244 HOH HOH A . 
E 5 HOH 238 638 301 HOH HOH A . 
E 5 HOH 239 639 214 HOH HOH A . 
E 5 HOH 240 640 146 HOH HOH A . 
E 5 HOH 241 641 287 HOH HOH A . 
E 5 HOH 242 642 127 HOH HOH A . 
E 5 HOH 243 643 236 HOH HOH A . 
E 5 HOH 244 644 259 HOH HOH A . 
E 5 HOH 245 645 253 HOH HOH A . 
E 5 HOH 246 646 317 HOH HOH A . 
E 5 HOH 247 647 89  HOH HOH A . 
E 5 HOH 248 648 263 HOH HOH A . 
E 5 HOH 249 649 227 HOH HOH A . 
E 5 HOH 250 650 62  HOH HOH A . 
E 5 HOH 251 651 257 HOH HOH A . 
E 5 HOH 252 652 168 HOH HOH A . 
E 5 HOH 253 653 290 HOH HOH A . 
E 5 HOH 254 654 226 HOH HOH A . 
E 5 HOH 255 655 184 HOH HOH A . 
E 5 HOH 256 656 288 HOH HOH A . 
E 5 HOH 257 657 137 HOH HOH A . 
E 5 HOH 258 658 309 HOH HOH A . 
E 5 HOH 259 659 170 HOH HOH A . 
E 5 HOH 260 660 246 HOH HOH A . 
E 5 HOH 261 661 283 HOH HOH A . 
E 5 HOH 262 662 204 HOH HOH A . 
E 5 HOH 263 663 333 HOH HOH A . 
E 5 HOH 264 664 268 HOH HOH A . 
E 5 HOH 265 665 328 HOH HOH A . 
E 5 HOH 266 666 299 HOH HOH A . 
E 5 HOH 267 667 65  HOH HOH A . 
E 5 HOH 268 668 183 HOH HOH A . 
E 5 HOH 269 669 233 HOH HOH A . 
E 5 HOH 270 670 331 HOH HOH A . 
E 5 HOH 271 671 41  HOH HOH A . 
E 5 HOH 272 672 73  HOH HOH A . 
E 5 HOH 273 673 219 HOH HOH A . 
E 5 HOH 274 674 326 HOH HOH A . 
E 5 HOH 275 675 280 HOH HOH A . 
E 5 HOH 276 676 201 HOH HOH A . 
E 5 HOH 277 677 334 HOH HOH A . 
E 5 HOH 278 678 220 HOH HOH A . 
E 5 HOH 279 679 202 HOH HOH A . 
E 5 HOH 280 680 230 HOH HOH A . 
E 5 HOH 281 681 196 HOH HOH A . 
E 5 HOH 282 682 286 HOH HOH A . 
E 5 HOH 283 683 239 HOH HOH A . 
E 5 HOH 284 684 281 HOH HOH A . 
E 5 HOH 285 685 152 HOH HOH A . 
E 5 HOH 286 686 192 HOH HOH A . 
E 5 HOH 287 687 128 HOH HOH A . 
E 5 HOH 288 688 319 HOH HOH A . 
E 5 HOH 289 689 191 HOH HOH A . 
E 5 HOH 290 690 136 HOH HOH A . 
E 5 HOH 291 691 321 HOH HOH A . 
E 5 HOH 292 692 235 HOH HOH A . 
E 5 HOH 293 693 242 HOH HOH A . 
E 5 HOH 294 694 56  HOH HOH A . 
E 5 HOH 295 695 116 HOH HOH A . 
E 5 HOH 296 696 336 HOH HOH A . 
E 5 HOH 297 697 248 HOH HOH A . 
E 5 HOH 298 698 110 HOH HOH A . 
E 5 HOH 299 699 247 HOH HOH A . 
E 5 HOH 300 700 312 HOH HOH A . 
E 5 HOH 301 701 327 HOH HOH A . 
E 5 HOH 302 702 342 HOH HOH A . 
E 5 HOH 303 703 203 HOH HOH A . 
E 5 HOH 304 704 98  HOH HOH A . 
E 5 HOH 305 705 335 HOH HOH A . 
E 5 HOH 306 706 240 HOH HOH A . 
E 5 HOH 307 707 243 HOH HOH A . 
E 5 HOH 308 708 80  HOH HOH A . 
E 5 HOH 309 709 329 HOH HOH A . 
E 5 HOH 310 710 197 HOH HOH A . 
E 5 HOH 311 711 155 HOH HOH A . 
E 5 HOH 312 712 323 HOH HOH A . 
E 5 HOH 313 713 225 HOH HOH A . 
E 5 HOH 314 714 99  HOH HOH A . 
E 5 HOH 315 715 325 HOH HOH A . 
E 5 HOH 316 716 271 HOH HOH A . 
E 5 HOH 317 717 330 HOH HOH A . 
E 5 HOH 318 718 106 HOH HOH A . 
E 5 HOH 319 719 189 HOH HOH A . 
E 5 HOH 320 720 332 HOH HOH A . 
E 5 HOH 321 721 117 HOH HOH A . 
E 5 HOH 322 722 144 HOH HOH A . 
E 5 HOH 323 723 158 HOH HOH A . 
E 5 HOH 324 724 211 HOH HOH A . 
E 5 HOH 325 725 151 HOH HOH A . 
E 5 HOH 326 726 195 HOH HOH A . 
E 5 HOH 327 727 324 HOH HOH A . 
E 5 HOH 328 728 57  HOH HOH A . 
E 5 HOH 329 729 217 HOH HOH A . 
E 5 HOH 330 730 210 HOH HOH A . 
E 5 HOH 331 731 78  HOH HOH A . 
E 5 HOH 332 732 314 HOH HOH A . 
E 5 HOH 333 733 100 HOH HOH A . 
E 5 HOH 334 734 206 HOH HOH A . 
E 5 HOH 335 735 320 HOH HOH A . 
E 5 HOH 336 736 166 HOH HOH A . 
E 5 HOH 337 737 340 HOH HOH A . 
E 5 HOH 338 738 337 HOH HOH A . 
E 5 HOH 339 739 339 HOH HOH A . 
E 5 HOH 340 740 159 HOH HOH A . 
E 5 HOH 341 741 208 HOH HOH A . 
E 5 HOH 342 742 341 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                     9AW1 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     54.517 
_cell.length_a_esd                 ? 
_cell.length_b                     58.296 
_cell.length_b_esd                 ? 
_cell.length_c                     66.716 
_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                         9AW1 
_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                   9AW1 
_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             2.27 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          45.88 
_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              9.4 
_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                     125 
_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         2023-11-02 
_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                                       9AW1 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.5 
_reflns.d_resolution_low                               24.70 
_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                                     34687 
_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                           99.34 
_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                          9.350 
_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                                   0.659 
_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                                     24.70 
_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                             1753 
_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                                  0.659 
_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]                            0.007 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            0.005 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            -0.011 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               8.844 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.964 
_refine.correlation_coeff_Fo_to_Fc_free          0.953 
_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                                 9AW1 
_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                            1.5 
_refine.ls_d_res_low                             24.70 
_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                     34687 
_refine.ls_number_reflns_R_free                  1753 
_refine.ls_number_reflns_R_work                  32934 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.341 
_refine.ls_percent_reflns_R_free                 5.054 
_refine.ls_R_factor_all                          0.156 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1848 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1543 
_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                       0.066 
_refine.pdbx_overall_ESU_R_Free                  0.069 
_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                             1.123 
_refine.overall_SU_ML                            0.042 
_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         16 
_refine_hist.number_atoms_solvent             342 
_refine_hist.number_atoms_total               1987 
_refine_hist.d_res_high                       1.5 
_refine_hist.d_res_low                        24.70 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.011  0.011  1680 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1490 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.664  1.620  2280 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.586  1.552  3493 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.103  5.000  222  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 9.173  10.000 2    ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 1.290  5.000  1    ? r_dihedral_angle_other_2_deg   ? ? 
'X-RAY DIFFRACTION' ? 12.166 10.000 269  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 17.425 10.000 58   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.086  0.200  255  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.011  0.020  1898 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  310  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.215  0.200  284  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.199  0.200  1432 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.176  0.200  837  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.085  0.200  933  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.182  0.200  232  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.122  0.200  6    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.180  0.200  5    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.194  0.200  27   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.136  0.200  21   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.070  0.846  891  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.067  0.846  891  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 1.649  1.270  1112 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 1.649  1.271  1113 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 1.936  0.984  789  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.936  0.986  790  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.802  1.392  1168 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.801  1.394  1169 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.013  17.061 2009 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.469  13.458 1881 ? 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' 1.5   1.536 . . 117 2292 95.5194  . . . . 0.226 . . . . . . . . . . . 0.262 
'X-RAY DIFFRACTION' 1.536 1.578 . . 141 2293 98.5425  . . . . 0.217 . . . . . . . . . . . 0.264 
'X-RAY DIFFRACTION' 1.578 1.624 . . 127 2272 99.2142  . . . . 0.184 . . . . . . . . . . . 0.255 
'X-RAY DIFFRACTION' 1.624 1.673 . . 100 2224 99.3587  . . . . 0.161 . . . . . . . . . . . 0.198 
'X-RAY DIFFRACTION' 1.673 1.728 . . 118 2128 99.6893  . . . . 0.152 . . . . . . . . . . . 0.200 
'X-RAY DIFFRACTION' 1.728 1.788 . . 82  2115 99.7729  . . . . 0.139 . . . . . . . . . . . 0.182 
'X-RAY DIFFRACTION' 1.788 1.855 . . 108 2028 99.9532  . . . . 0.142 . . . . . . . . . . . 0.191 
'X-RAY DIFFRACTION' 1.855 1.931 . . 112 1925 99.9509  . . . . 0.147 . . . . . . . . . . . 0.178 
'X-RAY DIFFRACTION' 1.931 2.016 . . 105 1875 99.9495  . . . . 0.152 . . . . . . . . . . . 0.177 
'X-RAY DIFFRACTION' 2.016 2.114 . . 98  1769 99.8930  . . . . 0.148 . . . . . . . . . . . 0.198 
'X-RAY DIFFRACTION' 2.114 2.227 . . 84  1724 99.8895  . . . . 0.140 . . . . . . . . . . . 0.169 
'X-RAY DIFFRACTION' 2.227 2.361 . . 87  1603 99.5289  . . . . 0.128 . . . . . . . . . . . 0.152 
'X-RAY DIFFRACTION' 2.361 2.522 . . 97  1508 100.0000 . . . . 0.138 . . . . . . . . . . . 0.171 
'X-RAY DIFFRACTION' 2.522 2.722 . . 78  1432 100.0000 . . . . 0.143 . . . . . . . . . . . 0.199 
'X-RAY DIFFRACTION' 2.722 2.978 . . 66  1331 100.0000 . . . . 0.152 . . . . . . . . . . . 0.169 
'X-RAY DIFFRACTION' 2.978 3.324 . . 46  1224 100.0000 . . . . 0.151 . . . . . . . . . . . 0.209 
'X-RAY DIFFRACTION' 3.324 3.826 . . 47  1081 99.9114  . . . . 0.158 . . . . . . . . . . . 0.187 
'X-RAY DIFFRACTION' 3.826 4.659 . . 66  915  99.8982  . . . . 0.133 . . . . . . . . . . . 0.126 
'X-RAY DIFFRACTION' 4.659 6.474 . . 56  724  100.0000 . . . . 0.175 . . . . . . . . . . . 0.205 
'X-RAY DIFFRACTION' 6.474 24.70 . . 18  471  99.7959  . . . . 0.205 . . . . . . . . . . . 0.119 
# 
_struct.entry_id                     9AW1 
_struct.title                        'Crystal structure of trypsin at 125 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        9AW1 
_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 4 ? 
E 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              9AW1 
_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 
# 
_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 ? SER A 222 ? TYR A 212 SER A 222 1 ? 11 
# 
_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 ? ? ? ? ? ? ? 2.058 ? ? 
disulf2 disulf ? ? A CYS 25  SG  ? ? ? 1_555 A CYS 41  SG ? ? A CYS 25  A CYS 41  1_555 ? ? ? ? ? ? ? 2.037 ? ? 
disulf3 disulf ? ? A CYS 109 SG  ? ? ? 1_555 A CYS 210 SG ? ? A CYS 109 A CYS 210 1_555 ? ? ? ? ? ? ? 2.053 ? ? 
disulf4 disulf ? ? A CYS 116 SG  ? ? ? 1_555 A CYS 183 SG ? ? A CYS 116 A CYS 183 1_555 ? ? ? ? ? ? ? 2.008 ? ? 
disulf5 disulf ? ? A CYS 148 SG  ? ? ? 1_555 A CYS 162 SG ? ? A CYS 148 A CYS 162 1_555 ? ? ? ? ? ? ? 1.981 ? ? 
disulf6 disulf ? ? A CYS 173 SG  ? ? ? 1_555 A CYS 197 SG ? ? A CYS 173 A CYS 197 1_555 ? ? ? ? ? ? ? 2.037 ? ? 
metalc1 metalc ? ? A GLU 52  OE1 ? ? ? 1_555 B CA  .   CA ? ? A GLU 52  A CA  301 1_555 ? ? ? ? ? ? ? 2.221 ? ? 
metalc2 metalc ? ? A ASN 54  O   ? ? ? 1_555 B CA  .   CA ? ? A ASN 54  A CA  301 1_555 ? ? ? ? ? ? ? 2.298 ? ? 
metalc3 metalc ? ? A VAL 57  O   ? ? ? 1_555 B CA  .   CA ? ? A VAL 57  A CA  301 1_555 ? ? ? ? ? ? ? 2.264 ? ? 
metalc4 metalc ? ? A GLU 62  OE2 ? ? ? 1_555 B CA  .   CA ? ? A GLU 62  A CA  301 1_555 ? ? ? ? ? ? ? 2.345 ? ? 
metalc5 metalc ? ? B CA  .   CA  ? ? ? 1_555 E HOH .   O  ? ? A CA  301 A HOH 409 1_555 ? ? ? ? ? ? ? 2.405 ? ? 
metalc6 metalc ? ? B CA  .   CA  ? ? ? 1_555 E HOH .   O  ? ? A CA  301 A HOH 533 1_555 ? ? ? ? ? ? ? 2.358 ? ? 
# 
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 91.0  ? 
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_555 166.6 ? 
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 80.9  ? 
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_555 102.4 ? 
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_555 160.1 ? 
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 88.2  ? 
7  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 409 ? 1_555 86.9  ? 
8  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 409 ? 1_555 90.1  ? 
9  O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 409 ? 1_555 103.7 ? 
10 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 409 ? 1_555 76.2  ? 
11 OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 533 ? 1_555 81.0  ? 
12 O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 533 ? 1_555 101.8 ? 
13 O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 533 ? 1_555 90.1  ? 
14 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 533 ? 1_555 94.8  ? 
15 O   ? E HOH .  ? A HOH 409 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 533 ? 1_555 163.1 ? 
# 
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 LEU A 138 ? O LEU A 138 N ILE A 118 ? N ILE A 118 
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 SER A 28  ? N SER A 28  O VAL A 36  ? O VAL A 36  
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                   9AW1 
_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 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    630 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    634 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.06 
# 
_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     432 
_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     635 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   3_544 
_pdbx_validate_symm_contact.dist              1.79 
# 
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  ? ? -120.15 -82.44 
2 1 SER A 192 ? ? -120.44 -69.07 
# 
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 739 ? 5.81 . 
2 1 O ? A HOH 740 ? 6.63 . 
3 1 O ? A HOH 741 ? 6.94 . 
4 1 O ? A HOH 742 ? 7.26 . 
# 
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                    9AW1 
_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]   0.018343 
_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]   0.017154 
_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]   0.014989 
_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   ? -8.008  9.584   -13.393 1.000 5.530  0 1   ILE A N   1 ? 
ATOM   2    C  CA  . ILE A 1 1   ? -8.034  8.682   -14.574 1.000 5.491  0 1   ILE A CA  1 ? 
ATOM   3    C  C   . ILE A 1 1   ? -9.319  8.963   -15.342 1.000 5.854  0 1   ILE A C   1 ? 
ATOM   4    O  O   . ILE A 1 1   ? -10.398 8.852   -14.791 1.000 6.486  0 1   ILE A O   1 ? 
ATOM   5    C  CB  . ILE A 1 1   ? -7.977  7.202   -14.116 1.000 5.294  0 1   ILE A CB  1 ? 
ATOM   6    C  CG1 . ILE A 1 1   ? -6.786  6.877   -13.201 1.000 5.258  0 1   ILE A CG1 1 ? 
ATOM   7    C  CG2 . ILE A 1 1   ? -8.035  6.283   -15.335 1.000 5.764  0 1   ILE A CG2 1 ? 
ATOM   8    C  CD1 . ILE A 1 1   ? -5.409  6.831   -13.860 1.000 5.180  0 1   ILE A CD1 1 ? 
ATOM   9    N  N   . VAL A 1 2   ? -9.157  9.258   -16.627 1.000 6.157  0 2   VAL A N   1 ? 
ATOM   10   C  CA  . VAL A 1 2   ? -10.272 9.502   -17.551 1.000 6.379  0 2   VAL A CA  1 ? 
ATOM   11   C  C   . VAL A 1 2   ? -10.428 8.250   -18.403 1.000 6.053  0 2   VAL A C   1 ? 
ATOM   12   O  O   . VAL A 1 2   ? -9.458  7.771   -18.998 1.000 6.319  0 2   VAL A O   1 ? 
ATOM   13   C  CB  . VAL A 1 2   ? -10.032 10.753  -18.423 1.000 6.835  0 2   VAL A CB  1 ? 
ATOM   14   C  CG1 . VAL A 1 2   ? -11.163 10.997  -19.423 1.000 7.385  0 2   VAL A CG1 1 ? 
ATOM   15   C  CG2 . VAL A 1 2   ? -9.832  12.020  -17.591 1.000 7.426  0 2   VAL A CG2 1 ? 
ATOM   16   N  N   . GLY A 1 3   ? -11.663 7.763   -18.518 1.000 5.953  0 3   GLY A N   1 ? 
ATOM   17   C  CA  . GLY A 1 3   ? -11.887 6.666   -19.451 1.000 6.386  0 3   GLY A CA  1 ? 
ATOM   18   C  C   . GLY A 1 3   ? -11.438 5.302   -18.927 1.000 6.828  0 3   GLY A C   1 ? 
ATOM   19   O  O   . GLY A 1 3   ? -11.338 4.364   -19.700 1.000 8.378  0 3   GLY A O   1 ? 
ATOM   20   N  N   . GLY A 1 4   ? -11.288 5.168   -17.606 1.000 7.148  0 4   GLY A N   1 ? 
ATOM   21   C  CA  . GLY A 1 4   ? -10.841 3.925   -16.995 1.000 7.690  0 4   GLY A CA  1 ? 
ATOM   22   C  C   . GLY A 1 4   ? -11.988 3.200   -16.320 1.000 8.203  0 4   GLY A C   1 ? 
ATOM   23   O  O   . GLY A 1 4   ? -13.149 3.332   -16.719 1.000 8.531  0 4   GLY A O   1 ? 
ATOM   24   N  N   . TYR A 1 5   ? -11.613 2.420   -15.307 1.000 7.339  0 5   TYR A N   1 ? 
ATOM   25   C  CA  . TYR A 1 5   ? -12.548 1.543   -14.631 1.000 7.426  0 5   TYR A CA  1 ? 
ATOM   26   C  C   . TYR A 1 5   ? -12.201 1.513   -13.166 1.000 7.449  0 5   TYR A C   1 ? 
ATOM   27   O  O   . TYR A 1 5   ? -11.076 1.790   -12.752 1.000 7.288  0 5   TYR A O   1 ? 
ATOM   28   C  CB  . TYR A 1 5   ? -12.559 0.135   -15.236 1.000 6.999  0 5   TYR A CB  1 ? 
ATOM   29   C  CG  . TYR A 1 5   ? -11.253 -0.587  -15.165 1.000 6.945  0 5   TYR A CG  1 ? 
ATOM   30   C  CD1 . TYR A 1 5   ? -10.264 -0.336  -16.085 1.000 6.621  0 5   TYR A CD1 1 ? 
ATOM   31   C  CD2 . TYR A 1 5   ? -11.003 -1.526  -14.172 1.000 6.504  0 5   TYR A CD2 1 ? 
ATOM   32   C  CE1 . TYR A 1 5   ? -9.047  -0.978  -16.018 1.000 7.652  0 5   TYR A CE1 1 ? 
ATOM   33   C  CE2 . TYR A 1 5   ? -9.769  -2.187  -14.095 1.000 6.958  0 5   TYR A CE2 1 ? 
ATOM   34   C  CZ  . TYR A 1 5   ? -8.792  -1.896  -15.028 1.000 7.093  0 5   TYR A CZ  1 ? 
ATOM   35   O  OH  . TYR A 1 5   ? -7.528  -2.494  -14.929 1.000 8.478  0 5   TYR A OH  1 ? 
ATOM   36   N  N   . THR A 1 6   ? -13.160 1.073   -12.369 1.000 7.055  0 6   THR A N   1 ? 
ATOM   37   C  CA  . THR A 1 6   ? -12.952 0.900   -10.933 1.000 6.940  0 6   THR A CA  1 ? 
ATOM   38   C  C   . THR A 1 6   ? -12.051 -0.300  -10.703 1.000 7.473  0 6   THR A C   1 ? 
ATOM   39   O  O   . THR A 1 6   ? -12.370 -1.440  -11.112 1.000 8.789  0 6   THR A O   1 ? 
ATOM   40   C  CB  . THR A 1 6   ? -14.300 0.744   -10.217 1.000 6.809  0 6   THR A CB  1 ? 
ATOM   41   O  OG1 . THR A 1 6   ? -14.992 1.987   -10.362 1.000 8.614  0 6   THR A OG1 1 ? 
ATOM   42   C  CG2 . THR A 1 6   ? -14.176 0.395   -8.752  1.000 7.152  0 6   THR A CG2 1 ? 
ATOM   43   N  N   . CYS A 1 7   ? -10.890 -0.090  -10.070 1.000 6.638  0 7   CYS A N   1 ? 
ATOM   44   C  CA  . CYS A 1 7   ? -9.897  -1.156  -9.962  1.000 6.686  0 7   CYS A CA  1 ? 
ATOM   45   C  C   . CYS A 1 7   ? -10.465 -2.375  -9.234  1.000 7.589  0 7   CYS A C   1 ? 
ATOM   46   O  O   . CYS A 1 7   ? -10.204 -3.523  -9.600  1.000 8.186  0 7   CYS A O   1 ? 
ATOM   47   C  CB  . CYS A 1 7   ? -8.648  -0.678  -9.192  1.000 6.088  0 7   CYS A CB  1 ? 
ATOM   48   S  SG  . CYS A 1 7   ? -7.784  0.733   -9.942  1.000 5.929  0 7   CYS A SG  1 ? 
ATOM   49   N  N   . GLY A 1 8   ? -11.139 -2.059  -8.126  1.000 7.214  0 8   GLY A N   1 ? 
ATOM   50   C  CA  . GLY A 1 8   ? -11.420 -3.044  -7.090  1.000 7.261  0 8   GLY A CA  1 ? 
ATOM   51   C  C   . GLY A 1 8   ? -10.589 -2.788  -5.853  1.000 7.327  0 8   GLY A C   1 ? 
ATOM   52   O  O   . GLY A 1 8   ? -9.401  -2.509  -5.967  1.000 7.099  0 8   GLY A O   1 ? 
ATOM   53   N  N   . ALA A 1 9   ? -11.192 -2.917  -4.673  1.000 7.819  0 9   ALA A N   1 ? 
ATOM   54   C  CA  . ALA A 1 9   ? -10.525 -2.540  -3.440  1.000 7.985  0 9   ALA A CA  1 ? 
ATOM   55   C  C   . ALA A 1 9   ? -9.276  -3.382  -3.216  1.000 7.769  0 9   ALA A C   1 ? 
ATOM   56   O  O   . ALA A 1 9   ? -9.321  -4.622  -3.211  1.000 8.851  0 9   ALA A O   1 ? 
ATOM   57   C  CB  . ALA A 1 9   ? -11.497 -2.707  -2.310  1.000 8.843  0 9   ALA A CB  1 ? 
ATOM   58   N  N   . ASN A 1 10  ? -8.127  -2.683  -3.080  1.000 7.021  0 10  ASN A N   1 ? 
ATOM   59   C  CA  . ASN A 1 10  ? -6.860  -3.272  -2.706  1.000 7.780  0 10  ASN A CA  1 ? 
ATOM   60   C  C   . ASN A 1 10  ? -6.316  -4.217  -3.767  1.000 7.897  0 10  ASN A C   1 ? 
ATOM   61   O  O   . ASN A 1 10  ? -5.457  -5.008  -3.417  1.000 9.856  0 10  ASN A O   1 ? 
ATOM   62   C  CB  . ASN A 1 10  ? -6.902  -3.954  -1.337  1.000 8.234  0 10  ASN A CB  1 ? 
ATOM   63   C  CG  . ASN A 1 10  ? -7.524  -3.050  -0.297  1.000 8.841  0 10  ASN A CG  1 ? 
ATOM   64   O  OD1 . ASN A 1 10  ? -8.620  -3.319  0.200   1.000 10.549 0 10  ASN A OD1 1 ? 
ATOM   65   N  ND2 . ASN A 1 10  ? -6.832  -1.948  0.001   1.000 9.042  0 10  ASN A ND2 1 ? 
ATOM   66   N  N   . THR A 1 11  ? -6.739  -4.042  -5.016  1.000 7.575  0 11  THR A N   1 ? 
ATOM   67   C  CA  . THR A 1 11  ? -6.222  -4.861  -6.113  1.000 7.381  0 11  THR A CA  1 ? 
ATOM   68   C  C   . THR A 1 11  ? -4.918  -4.306  -6.689  1.000 7.652  0 11  THR A C   1 ? 
ATOM   69   O  O   . THR A 1 11  ? -4.260  -4.923  -7.542  1.000 7.593  0 11  THR A O   1 ? 
ATOM   70   C  CB  . THR A 1 11  ? -7.261  -4.982  -7.225  1.000 7.711  0 11  THR A CB  1 ? 
ATOM   71   O  OG1 . THR A 1 11  ? -7.572  -3.684  -7.763  1.000 8.298  0 11  THR A OG1 1 ? 
ATOM   72   C  CG2 . THR A 1 11  ? -8.541  -5.644  -6.757  1.000 7.777  0 11  THR A CG2 1 ? 
ATOM   73   N  N   . VAL A 1 12  ? -4.563  -3.081  -6.273  1.000 6.547  0 12  VAL A N   1 ? 
ATOM   74   C  CA  . VAL A 1 12  ? -3.334  -2.404  -6.670  1.000 6.301  0 12  VAL A CA  1 ? 
ATOM   75   C  C   . VAL A 1 12  ? -2.573  -2.110  -5.373  1.000 6.240  0 12  VAL A C   1 ? 
ATOM   76   O  O   . VAL A 1 12  ? -2.547  -1.005  -4.851  1.000 5.749  0 12  VAL A O   1 ? 
ATOM   77   C  CB  . VAL A 1 12  ? -3.628  -1.132  -7.498  1.000 6.579  0 12  VAL A CB  1 ? 
ATOM   78   C  CG1 . VAL A 1 12  ? -2.322  -0.565  -8.057  1.000 7.183  0 12  VAL A CG1 1 ? 
ATOM   79   C  CG2 . VAL A 1 12  ? -4.644  -1.378  -8.631  1.000 6.562  0 12  VAL A CG2 1 ? 
ATOM   80   N  N   . PRO A 1 13  ? -1.928  -3.123  -4.764  1.000 6.247  0 13  PRO A N   1 ? 
ATOM   81   C  CA  . PRO A 1 13  ? -1.543  -3.033  -3.359  1.000 6.229  0 13  PRO A CA  1 ? 
ATOM   82   C  C   . PRO A 1 13  ? -0.350  -2.126  -3.067  1.000 5.869  0 13  PRO A C   1 ? 
ATOM   83   O  O   . PRO A 1 13  ? -0.081  -1.825  -1.913  1.000 5.667  0 13  PRO A O   1 ? 
ATOM   84   C  CB  . PRO A 1 13  ? -1.308  -4.526  -2.986  1.000 7.136  0 13  PRO A CB  1 ? 
ATOM   85   C  CG  . PRO A 1 13  ? -0.983  -5.182  -4.273  1.000 7.262  0 13  PRO A CG  1 ? 
ATOM   86   C  CD  . PRO A 1 13  ? -1.813  -4.479  -5.318  1.000 6.790  0 13  PRO A CD  1 ? 
ATOM   87   N  N   . TYR A 1 14  ? 0.353   -1.751  -4.144  1.000 5.846  0 14  TYR A N   1 ? 
ATOM   88   C  CA  . TYR A 1 14  ? 1.469   -0.824  -4.076  1.000 5.632  0 14  TYR A CA  1 ? 
ATOM   89   C  C   . TYR A 1 14  ? 1.051   0.637   -4.276  1.000 5.645  0 14  TYR A C   1 ? 
ATOM   90   O  O   . TYR A 1 14  ? 1.870   1.531   -4.100  1.000 5.301  0 14  TYR A O   1 ? 
ATOM   91   C  CB  . TYR A 1 14  ? 2.512   -1.205  -5.144  1.000 5.487  0 14  TYR A CB  1 ? 
ATOM   92   C  CG  . TYR A 1 14  ? 1.903   -1.343  -6.528  1.000 5.563  0 14  TYR A CG  1 ? 
ATOM   93   C  CD1 . TYR A 1 14  ? 1.675   -0.246  -7.367  1.000 6.001  0 14  TYR A CD1 1 ? 
ATOM   94   C  CD2 . TYR A 1 14  ? 1.458   -2.569  -6.964  1.000 6.075  0 14  TYR A CD2 1 ? 
ATOM   95   C  CE1 . TYR A 1 14  ? 1.087   -0.376  -8.614  1.000 5.785  0 14  TYR A CE1 1 ? 
ATOM   96   C  CE2 . TYR A 1 14  ? 0.866   -2.728  -8.206  1.000 6.147  0 14  TYR A CE2 1 ? 
ATOM   97   C  CZ  . TYR A 1 14  ? 0.667   -1.628  -9.028  1.000 6.607  0 14  TYR A CZ  1 ? 
ATOM   98   O  OH  . TYR A 1 14  ? 0.043   -1.747  -10.239 1.000 6.277  0 14  TYR A OH  1 ? 
ATOM   99   N  N   . GLN A 1 15  ? -0.224  0.891   -4.609  1.000 4.842  0 15  GLN A N   1 ? 
ATOM   100  C  CA  . GLN A 1 15  ? -0.719  2.238   -4.799  1.000 5.184  0 15  GLN A CA  1 ? 
ATOM   101  C  C   . GLN A 1 15  ? -0.836  2.953   -3.459  1.000 5.185  0 15  GLN A C   1 ? 
ATOM   102  O  O   . GLN A 1 15  ? -1.540  2.479   -2.551  1.000 5.635  0 15  GLN A O   1 ? 
ATOM   103  C  CB  . GLN A 1 15  ? -2.082  2.230   -5.475  1.000 5.250  0 15  GLN A CB  1 ? 
ATOM   104  C  CG  . GLN A 1 15  ? -2.690  3.613   -5.554  1.000 5.072  0 15  GLN A CG  1 ? 
ATOM   105  C  CD  . GLN A 1 15  ? -2.237  4.463   -6.732  1.000 5.175  0 15  GLN A CD  1 ? 
ATOM   106  O  OE1 . GLN A 1 15  ? -2.245  4.047   -7.900  1.000 6.212  0 15  GLN A OE1 1 ? 
ATOM   107  N  NE2 . GLN A 1 15  ? -1.860  5.726   -6.491  1.000 5.549  0 15  GLN A NE2 1 ? 
ATOM   108  N  N   . VAL A 1 16  ? -0.213  4.128   -3.352  1.000 5.641  0 16  VAL A N   1 ? 
ATOM   109  C  CA  . VAL A 1 16  ? -0.423  4.948   -2.165  1.000 6.636  0 16  VAL A CA  1 ? 
ATOM   110  C  C   . VAL A 1 16  ? -1.100  6.269   -2.544  1.000 6.147  0 16  VAL A C   1 ? 
ATOM   111  O  O   . VAL A 1 16  ? -1.064  6.740   -3.693  1.000 5.294  0 16  VAL A O   1 ? 
ATOM   112  C  CB  . VAL A 1 16  ? 0.865   5.166   -1.356  1.000 10.831 0 16  VAL A CB  1 ? 
ATOM   113  C  CG1 . VAL A 1 16  ? 1.735   3.916   -1.238  1.000 12.607 0 16  VAL A CG1 1 ? 
ATOM   114  C  CG2 . VAL A 1 16  ? 1.626   6.310   -1.883  1.000 11.936 0 16  VAL A CG2 1 ? 
ATOM   115  N  N   . SER A 1 17  ? -1.728  6.851   -1.514  1.000 5.348  0 17  SER A N   1 ? 
ATOM   116  C  CA  . SER A 1 17  ? -2.226  8.225   -1.564  1.000 5.382  0 17  SER A CA  1 ? 
ATOM   117  C  C   . SER A 1 17  ? -1.348  9.092   -0.679  1.000 5.484  0 17  SER A C   1 ? 
ATOM   118  O  O   . SER A 1 17  ? -1.158  8.729   0.475   1.000 5.394  0 17  SER A O   1 ? 
ATOM   119  C  CB  . SER A 1 17  ? -3.660  8.303   -1.106  1.000 5.128  0 17  SER A CB  1 ? 
ATOM   120  O  OG  . SER A 1 17  ? -4.119  9.648   -0.942  1.000 5.330  0 17  SER A OG  1 ? 
ATOM   121  N  N   . LEU A 1 18  ? -0.861  10.220  -1.190  1.000 4.991  0 18  LEU A N   1 ? 
ATOM   122  C  CA  . LEU A 1 18  ? -0.158  11.235  -0.412  1.000 5.436  0 18  LEU A CA  1 ? 
ATOM   123  C  C   . LEU A 1 18  ? -1.189  12.243  0.068   1.000 5.365  0 18  LEU A C   1 ? 
ATOM   124  O  O   . LEU A 1 18  ? -1.954  12.786  -0.748  1.000 4.769  0 18  LEU A O   1 ? 
ATOM   125  C  CB  . LEU A 1 18  ? 0.915   11.907  -1.274  1.000 5.791  0 18  LEU A CB  1 ? 
ATOM   126  C  CG  . LEU A 1 18  ? 1.966   10.986  -1.904  1.000 6.669  0 18  LEU A CG  1 ? 
ATOM   127  C  CD1 . LEU A 1 18  ? 3.058   11.809  -2.575  1.000 7.423  0 18  LEU A CD1 1 ? 
ATOM   128  C  CD2 . LEU A 1 18  ? 2.575   10.042  -0.880  1.000 7.039  0 18  LEU A CD2 1 ? 
ATOM   129  N  N   . ASN A 1 19  ? -1.217  12.430  1.396   1.000 5.136  0 19  ASN A N   1 ? 
ATOM   130  C  CA  . ASN A 1 19  ? -2.251  13.212  2.064   1.000 5.557  0 19  ASN A CA  1 ? 
ATOM   131  C  C   . ASN A 1 19  ? -1.574  14.350  2.848   1.000 6.103  0 19  ASN A C   1 ? 
ATOM   132  O  O   . ASN A 1 19  ? -0.700  14.091  3.673   1.000 5.938  0 19  ASN A O   1 ? 
ATOM   133  C  CB  . ASN A 1 19  ? -3.124  12.295  2.940   1.000 5.693  0 19  ASN A CB  1 ? 
ATOM   134  C  CG  . ASN A 1 19  ? -4.306  13.000  3.585   1.000 5.509  0 19  ASN A CG  1 ? 
ATOM   135  O  OD1 . ASN A 1 19  ? -4.086  13.808  4.493   1.000 6.473  0 19  ASN A OD1 1 ? 
ATOM   136  N  ND2 . ASN A 1 19  ? -5.520  12.767  3.081   1.000 5.525  0 19  ASN A ND2 1 ? 
ATOM   137  N  N   . SER A 1 20  ? -2.087  15.592  2.658   1.000 6.663  0 20  SER A N   1 ? 
ATOM   138  C  CA  . SER A 1 20  ? -1.657  16.764  3.430   1.000 7.067  0 20  SER A CA  1 ? 
ATOM   139  C  C   . SER A 1 20  ? -2.878  17.470  4.038   1.000 7.492  0 20  SER A C   1 ? 
ATOM   140  O  O   . SER A 1 20  ? -3.022  18.668  3.932   1.000 8.502  0 20  SER A O   1 ? 
ATOM   141  C  CB  . SER A 1 20  ? -0.856  17.738  2.549   1.000 7.869  0 20  SER A CB  1 ? 
ATOM   142  O  OG  . SER A 1 20  ? -1.609  18.222  1.465   1.000 9.395  0 20  SER A OG  1 ? 
ATOM   143  N  N   . GLY A 1 21  ? -3.826  16.676  4.537   1.000 6.615  0 21  GLY A N   1 ? 
ATOM   144  C  CA  . GLY A 1 21  ? -5.167  17.111  4.898   1.000 6.818  0 21  GLY A CA  1 ? 
ATOM   145  C  C   . GLY A 1 21  ? -6.240  16.632  3.930   1.000 6.683  0 21  GLY A C   1 ? 
ATOM   146  O  O   . GLY A 1 21  ? -7.442  16.747  4.180   1.000 7.341  0 21  GLY A O   1 ? 
ATOM   147  N  N   . TYR A 1 22  ? -5.788  16.133  2.756   1.000 6.594  0 22  TYR A N   1 ? 
ATOM   148  C  CA  . TYR A 1 22  ? -6.587  15.762  1.594   1.000 6.456  0 22  TYR A CA  1 ? 
ATOM   149  C  C   . TYR A 1 22  ? -5.618  15.002  0.692   1.000 5.891  0 22  TYR A C   1 ? 
ATOM   150  O  O   . TYR A 1 22  ? -4.394  15.239  0.735   1.000 5.506  0 22  TYR A O   1 ? 
ATOM   151  C  CB  . TYR A 1 22  ? -7.191  16.978  0.862   1.000 7.714  0 22  TYR A CB  1 ? 
ATOM   152  C  CG  . TYR A 1 22  ? -6.158  18.062  0.699   1.000 9.002  0 22  TYR A CG  1 ? 
ATOM   153  C  CD1 . TYR A 1 22  ? -5.263  18.072  -0.361  1.000 11.894 0 22  TYR A CD1 1 ? 
ATOM   154  C  CD2 . TYR A 1 22  ? -6.006  19.032  1.681   1.000 12.033 0 22  TYR A CD2 1 ? 
ATOM   155  C  CE1 . TYR A 1 22  ? -4.245  19.008  -0.439  1.000 12.040 0 22  TYR A CE1 1 ? 
ATOM   156  C  CE2 . TYR A 1 22  ? -4.981  19.940  1.621   1.000 12.620 0 22  TYR A CE2 1 ? 
ATOM   157  C  CZ  . TYR A 1 22  ? -4.097  19.933  0.576   1.000 14.427 0 22  TYR A CZ  1 ? 
ATOM   158  O  OH  . TYR A 1 22  ? -3.093  20.895  0.557   1.000 19.317 0 22  TYR A OH  1 ? 
ATOM   159  N  N   . HIS A 1 23  ? -6.159  14.109  -0.145  1.000 6.043  0 23  HIS A N   1 ? 
ATOM   160  C  CA  . HIS A 1 23  ? -5.380  13.479  -1.211  1.000 5.789  0 23  HIS A CA  1 ? 
ATOM   161  C  C   . HIS A 1 23  ? -4.846  14.540  -2.174  1.000 6.078  0 23  HIS A C   1 ? 
ATOM   162  O  O   . HIS A 1 23  ? -5.628  15.354  -2.659  1.000 6.874  0 23  HIS A O   1 ? 
ATOM   163  C  CB  . HIS A 1 23  ? -6.269  12.491  -1.968  1.000 5.697  0 23  HIS A CB  1 ? 
ATOM   164  C  CG  . HIS A 1 23  ? -5.613  11.961  -3.203  1.000 5.209  0 23  HIS A CG  1 ? 
ATOM   165  N  ND1 . HIS A 1 23  ? -4.702  10.950  -3.188  1.000 5.125  0 23  HIS A ND1 1 ? 
ATOM   166  C  CD2 . HIS A 1 23  ? -5.668  12.450  -4.471  1.000 5.778  0 23  HIS A CD2 1 ? 
ATOM   167  C  CE1 . HIS A 1 23  ? -4.262  10.782  -4.440  1.000 4.935  0 23  HIS A CE1 1 ? 
ATOM   168  N  NE2 . HIS A 1 23  ? -4.807  11.700  -5.243  1.000 5.717  0 23  HIS A NE2 1 ? 
ATOM   169  N  N   . PHE A 1 24  ? -3.551  14.477  -2.529  1.000 6.143  0 24  PHE A N   1 ? 
ATOM   170  C  CA  . PHE A 1 24  ? -3.052  15.446  -3.497  1.000 6.466  0 24  PHE A CA  1 ? 
ATOM   171  C  C   . PHE A 1 24  ? -2.165  14.797  -4.554  1.000 6.958  0 24  PHE A C   1 ? 
ATOM   172  O  O   . PHE A 1 24  ? -1.958  15.401  -5.615  1.000 7.805  0 24  PHE A O   1 ? 
ATOM   173  C  CB  . PHE A 1 24  ? -2.307  16.616  -2.846  1.000 7.149  0 24  PHE A CB  1 ? 
ATOM   174  C  CG  . PHE A 1 24  ? -1.012  16.225  -2.210  1.000 6.942  0 24  PHE A CG  1 ? 
ATOM   175  C  CD1 . PHE A 1 24  ? 0.162   16.194  -2.976  1.000 7.868  0 24  PHE A CD1 1 ? 
ATOM   176  C  CD2 . PHE A 1 24  ? -0.929  15.843  -0.872  1.000 7.236  0 24  PHE A CD2 1 ? 
ATOM   177  C  CE1 . PHE A 1 24  ? 1.361   15.840  -2.382  1.000 7.220  0 24  PHE A CE1 1 ? 
ATOM   178  C  CE2 . PHE A 1 24  ? 0.267   15.465  -0.306  1.000 7.511  0 24  PHE A CE2 1 ? 
ATOM   179  C  CZ  . PHE A 1 24  ? 1.425   15.484  -1.056  1.000 7.603  0 24  PHE A CZ  1 ? 
ATOM   180  N  N   . CYS A 1 25  ? -1.774  13.529  -4.376  1.000 6.013  0 25  CYS A N   1 ? 
ATOM   181  C  CA  . CYS A 1 25  ? -0.905  12.862  -5.357  1.000 5.467  0 25  CYS A CA  1 ? 
ATOM   182  C  C   . CYS A 1 25  ? -0.900  11.383  -5.034  1.000 4.820  0 25  CYS A C   1 ? 
ATOM   183  O  O   . CYS A 1 25  ? -1.196  10.955  -3.927  1.000 5.917  0 25  CYS A O   1 ? 
ATOM   184  C  CB  . CYS A 1 25  ? 0.547   13.369  -5.344  1.000 5.601  0 25  CYS A CB  1 ? 
ATOM   185  S  SG  . CYS A 1 25  ? 0.899   14.823  -6.402  1.000 5.410  0 25  CYS A SG  1 ? 
ATOM   186  N  N   . GLY A 1 26  ? -0.594  10.584  -6.049  1.000 5.028  0 26  GLY A N   1 ? 
ATOM   187  C  CA  . GLY A 1 26  ? -0.263  9.179   -5.868  1.000 5.472  0 26  GLY A CA  1 ? 
ATOM   188  C  C   . GLY A 1 26  ? 1.224   8.931   -5.597  1.000 5.028  0 26  GLY A C   1 ? 
ATOM   189  O  O   . GLY A 1 26  ? 2.063   9.820   -5.628  1.000 4.620  0 26  GLY A O   1 ? 
ATOM   190  N  N   . GLY A 1 27  ? 1.515   7.658   -5.354  1.000 5.095  0 27  GLY A N   1 ? 
ATOM   191  C  CA  . GLY A 1 27  ? 2.863   7.172   -5.160  1.000 5.140  0 27  GLY A CA  1 ? 
ATOM   192  C  C   . GLY A 1 27  ? 2.841   5.662   -5.261  1.000 4.857  0 27  GLY A C   1 ? 
ATOM   193  O  O   . GLY A 1 27  ? 1.744   5.089   -5.329  1.000 5.057  0 27  GLY A O   1 ? 
ATOM   194  N  N   . SER A 1 28  ? 4.021   5.058   -5.230  1.000 4.721  0 28  SER A N   1 ? 
ATOM   195  C  CA  . SER A 1 28  ? 4.161   3.618   -5.292  1.000 4.964  0 28  SER A CA  1 ? 
ATOM   196  C  C   . SER A 1 28  ? 5.060   3.175   -4.147  1.000 5.157  0 28  SER A C   1 ? 
ATOM   197  O  O   . SER A 1 28  ? 6.180   3.685   -4.002  1.000 5.584  0 28  SER A O   1 ? 
ATOM   198  C  CB  . SER A 1 28  ? 4.695   3.138   -6.626  1.000 5.481  0 28  SER A CB  1 ? 
ATOM   199  O  OG  . SER A 1 28  ? 3.994   3.629   -7.729  1.000 6.300  0 28  SER A OG  1 ? 
ATOM   200  N  N   . LEU A 1 29  ? 4.640   2.153   -3.428  1.000 5.225  0 29  LEU A N   1 ? 
ATOM   201  C  CA  . LEU A 1 29  ? 5.461   1.539   -2.371  1.000 5.801  0 29  LEU A CA  1 ? 
ATOM   202  C  C   . LEU A 1 29  ? 6.496   0.599   -2.987  1.000 6.253  0 29  LEU A C   1 ? 
ATOM   203  O  O   . LEU A 1 29  ? 6.089   -0.301  -3.700  1.000 6.091  0 29  LEU A O   1 ? 
ATOM   204  C  CB  . LEU A 1 29  ? 4.538   0.743   -1.442  1.000 6.353  0 29  LEU A CB  1 ? 
ATOM   205  C  CG  . LEU A 1 29  ? 5.166   0.241   -0.142  1.000 7.172  0 29  LEU A CG  1 ? 
ATOM   206  C  CD1 . LEU A 1 29  ? 5.577   1.379   0.782   1.000 7.018  0 29  LEU A CD1 1 ? 
ATOM   207  C  CD2 . LEU A 1 29  ? 4.233   -0.738  0.600   1.000 8.412  0 29  LEU A CD2 1 ? 
ATOM   208  N  N   . ILE A 1 30  ? 7.794   0.829   -2.738  1.000 7.052  0 30  ILE A N   1 ? 
ATOM   209  C  CA  . ILE A 1 30  ? 8.823   0.006   -3.390  1.000 8.664  0 30  ILE A CA  1 ? 
ATOM   210  C  C   . ILE A 1 30  ? 9.543   -0.886  -2.390  1.000 8.747  0 30  ILE A C   1 ? 
ATOM   211  O  O   . ILE A 1 30  ? 10.254  -1.783  -2.824  1.000 9.923  0 30  ILE A O   1 ? 
ATOM   212  C  CB  . ILE A 1 30  ? 9.802   0.845   -4.214  1.000 9.685  0 30  ILE A CB  1 ? 
ATOM   213  C  CG1 . ILE A 1 30  ? 10.435  1.981   -3.408  1.000 10.718 0 30  ILE A CG1 1 ? 
ATOM   214  C  CG2 . ILE A 1 30  ? 9.120   1.333   -5.499  1.000 9.325  0 30  ILE A CG2 1 ? 
ATOM   215  C  CD1 . ILE A 1 30  ? 11.677  2.514   -4.088  1.000 11.252 0 30  ILE A CD1 1 ? 
ATOM   216  N  N   . ASN A 1 31  ? 9.386   -0.614  -1.082  1.000 9.056  0 31  ASN A N   1 ? 
ATOM   217  C  CA  . ASN A 1 31  ? 9.736   -1.565  -0.037  1.000 9.850  0 31  ASN A CA  1 ? 
ATOM   218  C  C   . ASN A 1 31  ? 9.004   -1.146  1.229   1.000 10.037 0 31  ASN A C   1 ? 
ATOM   219  O  O   . ASN A 1 31  ? 8.224   -0.189  1.191   1.000 9.142  0 31  ASN A O   1 ? 
ATOM   220  C  CB  . ASN A 1 31  ? 11.259  -1.667  0.155   1.000 11.034 0 31  ASN A CB  1 ? 
ATOM   221  C  CG  . ASN A 1 31  ? 11.909  -0.366  0.573   1.000 12.724 0 31  ASN A CG  1 ? 
ATOM   222  O  OD1 . ASN A 1 31  ? 11.423  0.369   1.420   1.000 9.711  0 31  ASN A OD1 1 ? 
ATOM   223  N  ND2 . ASN A 1 31  ? 12.989  -0.026  -0.110  1.000 18.156 0 31  ASN A ND2 1 ? 
ATOM   224  N  N   . SER A 1 32  ? 9.262   -1.796  2.371   1.000 9.811  0 32  SER A N   1 ? 
ATOM   225  C  CA  . SER A 1 32  ? 8.492   -1.499  3.558   1.000 9.833  0 32  SER A CA  1 ? 
ATOM   226  C  C   . SER A 1 32  ? 8.645   -0.061  4.038   1.000 9.805  0 32  SER A C   1 ? 
ATOM   227  O  O   . SER A 1 32  ? 7.830   0.404   4.836   1.000 9.958  0 32  SER A O   1 ? 
ATOM   228  C  CB  . SER A 1 32  ? 8.834   -2.462  4.693   1.000 9.500  0 32  SER A CB  1 ? 
ATOM   229  O  OG  . SER A 1 32  ? 10.151  -2.227  5.144   1.000 10.844 0 32  SER A OG  1 ? 
ATOM   230  N  N   . GLN A 1 33  ? 9.724   0.647   3.659   1.000 9.523  0 33  GLN A N   1 ? 
ATOM   231  C  CA  . GLN A 1 33  ? 9.932   1.968   4.237   1.000 9.903  0 33  GLN A CA  1 ? 
ATOM   232  C  C   . GLN A 1 33  ? 10.009  3.111   3.208   1.000 7.510  0 33  GLN A C   1 ? 
ATOM   233  O  O   . GLN A 1 33  ? 10.296  4.244   3.611   1.000 7.820  0 33  GLN A O   1 ? 
ATOM   234  C  CB  . GLN A 1 33  ? 11.262  1.993   5.001   1.000 13.950 0 33  GLN A CB  1 ? 
ATOM   235  C  CG  . GLN A 1 33  ? 11.413  0.990   6.118   1.000 19.320 0 33  GLN A CG  1 ? 
ATOM   236  C  CD  . GLN A 1 33  ? 12.780  1.158   6.741   1.000 21.409 0 33  GLN A CD  1 ? 
ATOM   237  O  OE1 . GLN A 1 33  ? 13.796  0.578   6.318   1.000 29.183 0 33  GLN A OE1 1 ? 
ATOM   238  N  NE2 . GLN A 1 33  ? 12.773  1.917   7.795   1.000 20.017 0 33  GLN A NE2 1 ? 
ATOM   239  N  N   . TRP A 1 34  ? 9.847   2.813   1.928   1.000 6.809  0 34  TRP A N   1 ? 
ATOM   240  C  CA  . TRP A 1 34  ? 10.097  3.818   0.890   1.000 6.608  0 34  TRP A CA  1 ? 
ATOM   241  C  C   . TRP A 1 34  ? 8.994   3.810   -0.164  1.000 6.123  0 34  TRP A C   1 ? 
ATOM   242  O  O   . TRP A 1 34  ? 8.550   2.776   -0.638  1.000 6.089  0 34  TRP A O   1 ? 
ATOM   243  C  CB  . TRP A 1 34  ? 11.431  3.594   0.185   1.000 6.752  0 34  TRP A CB  1 ? 
ATOM   244  C  CG  . TRP A 1 34  ? 12.672  3.858   1.000   1.000 7.169  0 34  TRP A CG  1 ? 
ATOM   245  C  CD1 . TRP A 1 34  ? 13.314  2.998   1.862   1.000 7.806  0 34  TRP A CD1 1 ? 
ATOM   246  C  CD2 . TRP A 1 34  ? 13.339  5.119   1.125   1.000 7.100  0 34  TRP A CD2 1 ? 
ATOM   247  N  NE1 . TRP A 1 34  ? 14.368  3.634   2.464   1.000 7.749  0 34  TRP A NE1 1 ? 
ATOM   248  C  CE2 . TRP A 1 34  ? 14.437  4.934   1.993   1.000 7.509  0 34  TRP A CE2 1 ? 
ATOM   249  C  CE3 . TRP A 1 34  ? 13.167  6.367   0.521   1.000 7.234  0 34  TRP A CE3 1 ? 
ATOM   250  C  CZ2 . TRP A 1 34  ? 15.333  5.967   2.280   1.000 7.841  0 34  TRP A CZ2 1 ? 
ATOM   251  C  CZ3 . TRP A 1 34  ? 14.052  7.383   0.799   1.000 8.050  0 34  TRP A CZ3 1 ? 
ATOM   252  C  CH2 . TRP A 1 34  ? 15.118  7.192   1.688   1.000 8.380  0 34  TRP A CH2 1 ? 
ATOM   253  N  N   . VAL A 1 35  ? 8.642   5.046   -0.577  1.000 5.877  0 35  VAL A N   1 ? 
ATOM   254  C  CA  . VAL A 1 35  ? 7.685   5.361   -1.620  1.000 6.351  0 35  VAL A CA  1 ? 
ATOM   255  C  C   . VAL A 1 35  ? 8.368   6.154   -2.721  1.000 6.156  0 35  VAL A C   1 ? 
ATOM   256  O  O   . VAL A 1 35  ? 9.137   7.062   -2.424  1.000 6.383  0 35  VAL A O   1 ? 
ATOM   257  C  CB  . VAL A 1 35  ? 6.492   6.143   -1.044  1.000 6.205  0 35  VAL A CB  1 ? 
ATOM   258  C  CG1 . VAL A 1 35  ? 5.619   6.779   -2.134  1.000 6.031  0 35  VAL A CG1 1 ? 
ATOM   259  C  CG2 . VAL A 1 35  ? 5.702   5.260   -0.095  1.000 6.987  0 35  VAL A CG2 1 ? 
ATOM   260  N  N   . VAL A 1 36  ? 8.033   5.848   -3.997  1.000 6.051  0 36  VAL A N   1 ? 
ATOM   261  C  CA  . VAL A 1 36  ? 8.439   6.642   -5.138  1.000 7.485  0 36  VAL A CA  1 ? 
ATOM   262  C  C   . VAL A 1 36  ? 7.241   7.466   -5.591  1.000 6.138  0 36  VAL A C   1 ? 
ATOM   263  O  O   . VAL A 1 36  ? 6.136   6.933   -5.722  1.000 6.018  0 36  VAL A O   1 ? 
ATOM   264  C  CB  . VAL A 1 36  ? 8.880   5.725   -6.310  1.000 10.607 0 36  VAL A CB  1 ? 
ATOM   265  C  CG1 . VAL A 1 36  ? 8.881   6.469   -7.654  1.000 14.535 0 36  VAL A CG1 1 ? 
ATOM   266  C  CG2 . VAL A 1 36  ? 10.199  5.084   -6.031  1.000 12.398 0 36  VAL A CG2 1 ? 
ATOM   267  N  N   . SER A 1 37  ? 7.473   8.751   -5.906  1.000 5.047  0 37  SER A N   1 ? 
ATOM   268  C  CA  . SER A 1 37  ? 6.413   9.604   -6.425  1.000 4.686  0 37  SER A CA  1 ? 
ATOM   269  C  C   . SER A 1 37  ? 7.051   10.587  -7.405  1.000 4.416  0 37  SER A C   1 ? 
ATOM   270  O  O   . SER A 1 37  ? 8.201   10.410  -7.816  1.000 3.633  0 37  SER A O   1 ? 
ATOM   271  C  CB  . SER A 1 37  ? 5.679   10.295  -5.272  1.000 4.706  0 37  SER A CB  1 ? 
ATOM   272  O  OG  . SER A 1 37  ? 4.578   11.057  -5.726  1.000 4.676  0 37  SER A OG  1 ? 
ATOM   273  N  N   . ALA A 1 38  ? 6.296   11.583  -7.847  1.000 4.356  0 38  ALA A N   1 ? 
ATOM   274  C  CA  . ALA A 1 38  ? 6.768   12.633  -8.750  1.000 4.386  0 38  ALA A CA  1 ? 
ATOM   275  C  C   . ALA A 1 38  ? 7.364   13.771  -7.932  1.000 4.770  0 38  ALA A C   1 ? 
ATOM   276  O  O   . ALA A 1 38  ? 6.781   14.148  -6.914  1.000 5.215  0 38  ALA A O   1 ? 
ATOM   277  C  CB  . ALA A 1 38  ? 5.611   13.166  -9.603  1.000 4.646  0 38  ALA A CB  1 ? 
ATOM   278  N  N   . ALA A 1 39  ? 8.519   14.328  -8.341  1.000 4.751  0 39  ALA A N   1 ? 
ATOM   279  C  CA  . ALA A 1 39  ? 9.051   15.522  -7.693  1.000 4.723  0 39  ALA A CA  1 ? 
ATOM   280  C  C   . ALA A 1 39  ? 8.070   16.677  -7.660  1.000 4.782  0 39  ALA A C   1 ? 
ATOM   281  O  O   . ALA A 1 39  ? 8.100   17.440  -6.697  1.000 4.827  0 39  ALA A O   1 ? 
ATOM   282  C  CB  . ALA A 1 39  ? 10.335  15.974  -8.362  1.000 4.518  0 39  ALA A CB  1 ? 
ATOM   283  N  N   . HIS A 1 40  ? 7.264   16.851  -8.697  1.000 5.378  0 40  HIS A N   1 ? 
ATOM   284  C  CA  . HIS A 1 40  ? 6.328   17.974  -8.707  1.000 5.415  0 40  HIS A CA  1 ? 
ATOM   285  C  C   . HIS A 1 40  ? 5.205   17.790  -7.681  1.000 6.103  0 40  HIS A C   1 ? 
ATOM   286  O  O   . HIS A 1 40  ? 4.514   18.770  -7.428  1.000 7.219  0 40  HIS A O   1 ? 
ATOM   287  C  CB  . HIS A 1 40  ? 5.805   18.230  -10.112 1.000 5.803  0 40  HIS A CB  1 ? 
ATOM   288  C  CG  . HIS A 1 40  ? 4.621   17.427  -10.535 1.000 6.139  0 40  HIS A CG  1 ? 
ATOM   289  N  ND1 . HIS A 1 40  ? 4.690   16.364  -11.418 1.000 5.927  0 40  HIS A ND1 1 ? 
ATOM   290  C  CD2 . HIS A 1 40  ? 3.307   17.629  -10.247 1.000 6.021  0 40  HIS A CD2 1 ? 
ATOM   291  C  CE1 . HIS A 1 40  ? 3.461   15.891  -11.631 1.000 6.823  0 40  HIS A CE1 1 ? 
ATOM   292  N  NE2 . HIS A 1 40  ? 2.572   16.702  -10.945 1.000 7.099  0 40  HIS A NE2 1 ? 
ATOM   293  N  N   . CYS A 1 41  ? 5.122   16.633  -7.013  1.000 5.956  0 41  CYS A N   1 ? 
ATOM   294  C  CA  . CYS A 1 41  ? 4.288   16.402  -5.854  1.000 6.745  0 41  CYS A CA  1 ? 
ATOM   295  C  C   . CYS A 1 41  ? 4.919   16.809  -4.521  1.000 8.544  0 41  CYS A C   1 ? 
ATOM   296  O  O   . CYS A 1 41  ? 4.261   16.714  -3.480  1.000 11.034 0 41  CYS A O   1 ? 
ATOM   297  C  CB  . CYS A 1 41  ? 3.884   14.943  -5.772  1.000 7.078  0 41  CYS A CB  1 ? 
ATOM   298  S  SG  . CYS A 1 41  ? 2.767   14.417  -7.107  1.000 6.504  0 41  CYS A SG  1 ? 
ATOM   299  N  N   . TYR A 1 42  ? 6.190   17.236  -4.507  1.000 6.885  0 42  TYR A N   1 ? 
ATOM   300  C  CA  . TYR A 1 42  ? 6.835   17.583  -3.255  1.000 7.574  0 42  TYR A CA  1 ? 
ATOM   301  C  C   . TYR A 1 42  ? 6.005   18.608  -2.472  1.000 7.944  0 42  TYR A C   1 ? 
ATOM   302  O  O   . TYR A 1 42  ? 5.604   19.632  -3.030  1.000 8.523  0 42  TYR A O   1 ? 
ATOM   303  C  CB  . TYR A 1 42  ? 8.263   18.109  -3.539  1.000 7.528  0 42  TYR A CB  1 ? 
ATOM   304  C  CG  . TYR A 1 42  ? 8.830   18.845  -2.337  1.000 9.086  0 42  TYR A CG  1 ? 
ATOM   305  C  CD1 . TYR A 1 42  ? 9.325   18.146  -1.254  1.000 9.748  0 42  TYR A CD1 1 ? 
ATOM   306  C  CD2 . TYR A 1 42  ? 8.693   20.204  -2.244  1.000 9.780  0 42  TYR A CD2 1 ? 
ATOM   307  C  CE1 . TYR A 1 42  ? 9.677   18.822  -0.076  1.000 10.865 0 42  TYR A CE1 1 ? 
ATOM   308  C  CE2 . TYR A 1 42  ? 9.046   20.897  -1.090  1.000 12.492 0 42  TYR A CE2 1 ? 
ATOM   309  C  CZ  . TYR A 1 42  ? 9.556   20.195  -0.023  1.000 12.408 0 42  TYR A CZ  1 ? 
ATOM   310  O  OH  . TYR A 1 42  ? 9.889   20.929  1.126   1.000 16.922 0 42  TYR A OH  1 ? 
ATOM   311  N  N   . LYS A 1 43  ? 5.909   18.341  -1.157  1.000 9.277  0 43  LYS A N   1 ? 
ATOM   312  C  CA  . LYS A 1 43  ? 5.527   19.361  -0.170  1.000 11.663 0 43  LYS A CA  1 ? 
ATOM   313  C  C   . LYS A 1 43  ? 5.924   18.827  1.197   1.000 11.491 0 43  LYS A C   1 ? 
ATOM   314  O  O   . LYS A 1 43  ? 6.264   17.673  1.331   1.000 10.515 0 43  LYS A O   1 ? 
ATOM   315  C  CB  . LYS A 1 43  ? 4.035   19.684  -0.284  1.000 14.338 0 43  LYS A CB  1 ? 
ATOM   316  C  CG  . LYS A 1 43  ? 3.173   18.479  -0.025  1.000 14.963 0 43  LYS A CG  1 ? 
ATOM   317  C  CD  . LYS A 1 43  ? 1.734   18.827  0.236   1.000 16.779 0 43  LYS A CD  1 ? 
ATOM   318  C  CE  . LYS A 1 43  ? 1.016   19.479  -0.901  1.000 16.090 0 43  LYS A CE  1 ? 
ATOM   319  N  NZ  . LYS A 1 43  ? -0.396  19.845  -0.544  1.000 17.700 0 43  LYS A NZ  1 ? 
ATOM   320  N  N   . SER A 1 44  ? 5.922   19.703  2.216   1.000 13.297 0 44  SER A N   1 ? 
ATOM   321  C  CA  . SER A 1 44  ? 6.177   19.203  3.561   1.000 16.044 0 44  SER A CA  1 ? 
ATOM   322  C  C   . SER A 1 44  ? 4.836   18.756  4.166   1.000 14.449 0 44  SER A C   1 ? 
ATOM   323  O  O   . SER A 1 44  ? 3.781   18.961  3.577   1.000 16.325 0 44  SER A O   1 ? 
ATOM   324  C  CB  . SER A 1 44  ? 6.876   20.267  4.409   1.000 19.398 0 44  SER A CB  1 ? 
ATOM   325  O  OG  . SER A 1 44  ? 6.070   21.400  4.426   1.000 23.155 0 44  SER A OG  1 ? 
ATOM   326  N  N   . GLY A 1 45  ? 4.910   18.032  5.280   1.000 17.731 0 45  GLY A N   1 ? 
ATOM   327  C  CA  . GLY A 1 45  ? 3.701   17.604  5.980   1.000 16.803 0 45  GLY A CA  1 ? 
ATOM   328  C  C   . GLY A 1 45  ? 2.954   16.483  5.253   1.000 16.218 0 45  GLY A C   1 ? 
ATOM   329  O  O   . GLY A 1 45  ? 1.719   16.423  5.297   1.000 19.024 0 45  GLY A O   1 ? 
ATOM   330  N  N   . ILE A 1 46  ? 3.704   15.569  4.635   1.000 14.000 0 46  ILE A N   1 ? 
ATOM   331  C  CA  . ILE A 1 46  ? 3.045   14.456  3.940   1.000 11.637 0 46  ILE A CA  1 ? 
ATOM   332  C  C   . ILE A 1 46  ? 2.789   13.323  4.929   1.000 10.285 0 46  ILE A C   1 ? 
ATOM   333  O  O   . ILE A 1 46  ? 3.717   12.866  5.622   1.000 10.686 0 46  ILE A O   1 ? 
ATOM   334  C  CB  . ILE A 1 46  ? 3.890   13.960  2.741   1.000 11.085 0 46  ILE A CB  1 ? 
ATOM   335  C  CG1 . ILE A 1 46  ? 4.087   15.086  1.717   1.000 12.322 0 46  ILE A CG1 1 ? 
ATOM   336  C  CG2 . ILE A 1 46  ? 3.312   12.726  2.086   1.000 10.843 0 46  ILE A CG2 1 ? 
ATOM   337  C  CD1 . ILE A 1 46  ? 4.995   14.710  0.552   1.000 13.282 0 46  ILE A CD1 1 ? 
ATOM   338  N  N   . GLN A 1 47  ? 1.549   12.784  4.824   1.000 7.736  0 47  GLN A N   1 ? 
ATOM   339  C  CA  . GLN A 1 47  ? 1.187   11.493  5.397   1.000 7.151  0 47  GLN A CA  1 ? 
ATOM   340  C  C   . GLN A 1 47  ? 0.966   10.528  4.255   1.000 6.774  0 47  GLN A C   1 ? 
ATOM   341  O  O   . GLN A 1 47  ? 0.186   10.817  3.341   1.000 6.910  0 47  GLN A O   1 ? 
ATOM   342  C  CB  . GLN A 1 47  ? -0.084  11.552  6.256   1.000 7.404  0 47  GLN A CB  1 ? 
ATOM   343  C  CG  . GLN A 1 47  ? -0.304  10.263  7.059   1.000 7.808  0 47  GLN A CG  1 ? 
ATOM   344  C  CD  . GLN A 1 47  ? -1.605  10.355  7.852   1.000 8.203  0 47  GLN A CD  1 ? 
ATOM   345  O  OE1 . GLN A 1 47  ? -2.692  10.583  7.290   1.000 8.640  0 47  GLN A OE1 1 ? 
ATOM   346  N  NE2 . GLN A 1 47  ? -1.484  10.257  9.170   1.000 10.176 0 47  GLN A NE2 1 ? 
ATOM   347  N  N   . VAL A 1 48  ? 1.660   9.391   4.302   1.000 5.999  0 48  VAL A N   1 ? 
ATOM   348  C  CA  . VAL A 1 48  ? 1.482   8.356   3.300   1.000 6.482  0 48  VAL A CA  1 ? 
ATOM   349  C  C   . VAL A 1 48  ? 0.335   7.466   3.753   1.000 6.458  0 48  VAL A C   1 ? 
ATOM   350  O  O   . VAL A 1 48  ? 0.324   6.977   4.889   1.000 6.727  0 48  VAL A O   1 ? 
ATOM   351  C  CB  . VAL A 1 48  ? 2.762   7.542   3.091   1.000 7.615  0 48  VAL A CB  1 ? 
ATOM   352  C  CG1 . VAL A 1 48  ? 2.550   6.358   2.182   1.000 9.212  0 48  VAL A CG1 1 ? 
ATOM   353  C  CG2 . VAL A 1 48  ? 3.863   8.444   2.539   1.000 8.469  0 48  VAL A CG2 1 ? 
ATOM   354  N  N   . ARG A 1 49  ? -0.636  7.263   2.870   1.000 5.583  0 49  ARG A N   1 ? 
ATOM   355  C  CA  . ARG A 1 49  ? -1.779  6.401   3.145   1.000 5.230  0 49  ARG A CA  1 ? 
ATOM   356  C  C   . ARG A 1 49  ? -1.749  5.169   2.253   1.000 5.356  0 49  ARG A C   1 ? 
ATOM   357  O  O   . ARG A 1 49  ? -1.891  5.275   1.046   1.000 5.622  0 49  ARG A O   1 ? 
ATOM   358  C  CB  . ARG A 1 49  ? -3.099  7.149   3.027   1.000 5.344  0 49  ARG A CB  1 ? 
ATOM   359  C  CG  . ARG A 1 49  ? -3.118  8.345   3.973   1.000 5.355  0 49  ARG A CG  1 ? 
ATOM   360  C  CD  . ARG A 1 49  ? -4.483  8.977   4.097   1.000 5.595  0 49  ARG A CD  1 ? 
ATOM   361  N  NE  . ARG A 1 49  ? -4.541  9.808   5.308   1.000 5.894  0 49  ARG A NE  1 ? 
ATOM   362  C  CZ  . ARG A 1 49  ? -5.703  10.149  5.884   1.000 6.439  0 49  ARG A CZ  1 ? 
ATOM   363  N  NH1 . ARG A 1 49  ? -6.875  9.919   5.265   1.000 7.114  0 49  ARG A NH1 1 ? 
ATOM   364  N  NH2 . ARG A 1 49  ? -5.647  10.693  7.093   1.000 7.536  0 49  ARG A NH2 1 ? 
ATOM   365  N  N   . LEU A 1 50  ? -1.496  4.051   2.896   1.000 6.277  0 50  LEU A N   1 ? 
ATOM   366  C  CA  . LEU A 1 50  ? -1.383  2.748   2.248   1.000 6.534  0 50  LEU A CA  1 ? 
ATOM   367  C  C   . LEU A 1 50  ? -2.668  1.966   2.462   1.000 6.214  0 50  LEU A C   1 ? 
ATOM   368  O  O   . LEU A 1 50  ? -3.414  2.195   3.411   1.000 5.704  0 50  LEU A O   1 ? 
ATOM   369  C  CB  . LEU A 1 50  ? -0.210  1.954   2.845   1.000 7.522  0 50  LEU A CB  1 ? 
ATOM   370  C  CG  . LEU A 1 50  ? 1.182   2.588   2.863   1.000 9.504  0 50  LEU A CG  1 ? 
ATOM   371  C  CD1 . LEU A 1 50  ? 1.553   3.199   1.552   1.000 12.429 0 50  LEU A CD1 1 ? 
ATOM   372  C  CD2 . LEU A 1 50  ? 1.376   3.469   4.079   1.000 13.223 0 50  LEU A CD2 1 ? 
ATOM   373  N  N   . GLY A 1 51  ? -2.916  0.985   1.589   1.000 6.217  0 51  GLY A N   1 ? 
ATOM   374  C  CA  . GLY A 1 51  ? -4.055  0.113   1.800   1.000 6.433  0 51  GLY A CA  1 ? 
ATOM   375  C  C   . GLY A 1 51  ? -5.394  0.800   1.546   1.000 6.391  0 51  GLY A C   1 ? 
ATOM   376  O  O   . GLY A 1 51  ? -6.449  0.328   1.993   1.000 6.884  0 51  GLY A O   1 ? 
ATOM   377  N  N   . GLU A 1 52  ? -5.398  1.886   0.764   1.000 5.289  0 52  GLU A N   1 ? 
ATOM   378  C  CA  . GLU A 1 52  ? -6.621  2.653   0.518   1.000 5.439  0 52  GLU A CA  1 ? 
ATOM   379  C  C   . GLU A 1 52  ? -7.385  2.061   -0.666  1.000 5.360  0 52  GLU A C   1 ? 
ATOM   380  O  O   . GLU A 1 52  ? -6.845  1.745   -1.734  1.000 5.483  0 52  GLU A O   1 ? 
ATOM   381  C  CB  . GLU A 1 52  ? -6.319  4.129   0.204   1.000 5.746  0 52  GLU A CB  1 ? 
ATOM   382  C  CG  . GLU A 1 52  ? -5.841  4.938   1.400   1.000 5.640  0 52  GLU A CG  1 ? 
ATOM   383  C  CD  . GLU A 1 52  ? -7.002  5.358   2.303   1.000 5.841  0 52  GLU A CD  1 ? 
ATOM   384  O  OE1 . GLU A 1 52  ? -8.116  4.751   2.164   1.000 5.973  0 52  GLU A OE1 1 ? 
ATOM   385  O  OE2 . GLU A 1 52  ? -6.819  6.308   3.081   1.000 6.246  0 52  GLU A OE2 1 ? 
ATOM   386  N  N   . ASP A 1 53  ? -8.719  2.139   -0.563  1.000 5.425  0 53  ASP A N   1 ? 
ATOM   387  C  CA  . ASP A 1 53  ? -9.633  2.135   -1.706  1.000 5.754  0 53  ASP A CA  1 ? 
ATOM   388  C  C   . ASP A 1 53  ? -10.418 3.440   -1.667  1.000 5.597  0 53  ASP A C   1 ? 
ATOM   389  O  O   . ASP A 1 53  ? -10.012 4.379   -2.342  1.000 5.784  0 53  ASP A O   1 ? 
ATOM   390  C  CB  . ASP A 1 53  ? -10.484 0.882   -1.851  1.000 6.177  0 53  ASP A CB  1 ? 
ATOM   391  C  CG  . ASP A 1 53  ? -11.204 0.875   -3.174  1.000 6.830  0 53  ASP A CG  1 ? 
ATOM   392  O  OD1 . ASP A 1 53  ? -10.530 1.116   -4.204  1.000 6.965  0 53  ASP A OD1 1 ? 
ATOM   393  O  OD2 . ASP A 1 53  ? -12.446 0.589   -3.164  1.000 7.887  0 53  ASP A OD2 1 ? 
ATOM   394  N  N   . ASN A 1 54  ? -11.492 3.535   -0.872  1.000 5.294  0 54  ASN A N   1 ? 
ATOM   395  C  CA  . ASN A 1 54  ? -12.195 4.777   -0.677  1.000 5.955  0 54  ASN A CA  1 ? 
ATOM   396  C  C   . ASN A 1 54  ? -11.366 5.683   0.227   1.000 5.925  0 54  ASN A C   1 ? 
ATOM   397  O  O   . ASN A 1 54  ? -11.175 5.442   1.419   1.000 5.428  0 54  ASN A O   1 ? 
ATOM   398  C  CB  . ASN A 1 54  ? -13.607 4.527   -0.125  1.000 5.433  0 54  ASN A CB  1 ? 
ATOM   399  C  CG  . ASN A 1 54  ? -14.452 5.772   -0.208  1.000 6.290  0 54  ASN A CG  1 ? 
ATOM   400  O  OD1 . ASN A 1 54  ? -13.984 6.885   0.084   1.000 6.513  0 54  ASN A OD1 1 ? 
ATOM   401  N  ND2 . ASN A 1 54  ? -15.680 5.606   -0.711  1.000 7.261  0 54  ASN A ND2 1 ? 
ATOM   402  N  N   . ILE A 1 55  ? -10.834 6.785   -0.351  1.000 5.527  0 55  ILE A N   1 ? 
ATOM   403  C  CA  . ILE A 1 55  ? -9.974  7.709   0.406   1.000 5.598  0 55  ILE A CA  1 ? 
ATOM   404  C  C   . ILE A 1 55  ? -10.761 8.590   1.387   1.000 5.416  0 55  ILE A C   1 ? 
ATOM   405  O  O   . ILE A 1 55  ? -10.158 9.300   2.209   1.000 6.253  0 55  ILE A O   1 ? 
ATOM   406  C  CB  . ILE A 1 55  ? -9.094  8.576   -0.506  1.000 6.118  0 55  ILE A CB  1 ? 
ATOM   407  C  CG1 . ILE A 1 55  ? -9.875  9.292   -1.615  1.000 6.717  0 55  ILE A CG1 1 ? 
ATOM   408  C  CG2 . ILE A 1 55  ? -7.940  7.742   -1.047  1.000 6.172  0 55  ILE A CG2 1 ? 
ATOM   409  C  CD1 . ILE A 1 55  ? -9.093  10.438  -2.302  1.000 7.152  0 55  ILE A CD1 1 ? 
ATOM   410  N  N   . ASN A 1 56  ? -12.095 8.457   1.368   1.000 4.972  0 56  ASN A N   1 ? 
ATOM   411  C  CA  . ASN A 1 56  ? -12.913 9.234   2.281   1.000 5.809  0 56  ASN A CA  1 ? 
ATOM   412  C  C   . ASN A 1 56  ? -13.613 8.399   3.365   1.000 6.232  0 56  ASN A C   1 ? 
ATOM   413  O  O   . ASN A 1 56  ? -14.367 8.945   4.155   1.000 7.553  0 56  ASN A O   1 ? 
ATOM   414  C  CB  . ASN A 1 56  ? -13.968 10.038  1.505   1.000 6.501  0 56  ASN A CB  1 ? 
ATOM   415  C  CG  . ASN A 1 56  ? -13.429 11.347  0.976   1.000 7.934  0 56  ASN A CG  1 ? 
ATOM   416  O  OD1 . ASN A 1 56  ? -12.663 12.066  1.649   1.000 6.613  0 56  ASN A OD1 1 ? 
ATOM   417  N  ND2 . ASN A 1 56  ? -13.827 11.721  -0.245  1.000 9.811  0 56  ASN A ND2 1 ? 
ATOM   418  N  N   . VAL A 1 57  ? -13.389 7.093   3.398   1.000 6.003  0 57  VAL A N   1 ? 
ATOM   419  C  CA  . VAL A 1 57  ? -14.000 6.181   4.345   1.000 6.605  0 57  VAL A CA  1 ? 
ATOM   420  C  C   . VAL A 1 57  ? -12.915 5.265   4.888   1.000 6.667  0 57  VAL A C   1 ? 
ATOM   421  O  O   . VAL A 1 57  ? -12.113 4.701   4.128   1.000 6.310  0 57  VAL A O   1 ? 
ATOM   422  C  CB  . VAL A 1 57  ? -15.114 5.381   3.637   1.000 6.932  0 57  VAL A CB  1 ? 
ATOM   423  C  CG1 . VAL A 1 57  ? -15.781 4.393   4.598   1.000 7.713  0 57  VAL A CG1 1 ? 
ATOM   424  C  CG2 . VAL A 1 57  ? -16.141 6.297   2.981   1.000 6.658  0 57  VAL A CG2 1 ? 
ATOM   425  N  N   . VAL A 1 58  ? -12.897 5.061   6.196   1.000 6.699  0 58  VAL A N   1 ? 
ATOM   426  C  CA  . VAL A 1 58  ? -12.001 4.060   6.795   1.000 7.550  0 58  VAL A CA  1 ? 
ATOM   427  C  C   . VAL A 1 58  ? -12.644 2.686   6.660   1.000 8.621  0 58  VAL A C   1 ? 
ATOM   428  O  O   . VAL A 1 58  ? -13.741 2.445   7.222   1.000 9.576  0 58  VAL A O   1 ? 
ATOM   429  C  CB  . VAL A 1 58  ? -11.696 4.381   8.265   1.000 7.842  0 58  VAL A CB  1 ? 
ATOM   430  C  CG1 . VAL A 1 58  ? -10.819 3.299   8.914   1.000 8.545  0 58  VAL A CG1 1 ? 
ATOM   431  C  CG2 . VAL A 1 58  ? -11.083 5.746   8.429   1.000 7.469  0 58  VAL A CG2 1 ? 
ATOM   432  N  N   . GLU A 1 59  ? -12.008 1.838   5.829   1.000 7.755  0 59  GLU A N   1 ? 
ATOM   433  C  CA  . GLU A 1 59  ? -12.578 0.570   5.405   1.000 8.449  0 59  GLU A CA  1 ? 
ATOM   434  C  C   . GLU A 1 59  ? -11.895 -0.618  6.065   1.000 9.890  0 59  GLU A C   1 ? 
ATOM   435  O  O   . GLU A 1 59  ? -12.459 -1.728  5.988   1.000 11.277 0 59  GLU A O   1 ? 
ATOM   436  C  CB  . GLU A 1 59  ? -12.612 0.430   3.883   1.000 8.378  0 59  GLU A CB  1 ? 
ATOM   437  C  CG  . GLU A 1 59  ? -13.431 1.505   3.207   1.000 8.375  0 59  GLU A CG  1 ? 
ATOM   438  C  CD  . GLU A 1 59  ? -13.446 1.447   1.680   1.000 9.291  0 59  GLU A CD  1 ? 
ATOM   439  O  OE1 . GLU A 1 59  ? -12.362 1.599   1.061   1.000 7.784  0 59  GLU A OE1 1 ? 
ATOM   440  O  OE2 . GLU A 1 59  ? -14.565 1.259   1.058   1.000 12.867 0 59  GLU A OE2 1 ? 
ATOM   441  N  N   . GLY A 1 60  ? -10.717 -0.434  6.656   1.000 8.706  0 60  GLY A N   1 ? 
ATOM   442  C  CA  . GLY A 1 60  ? -10.186 -1.496  7.486   1.000 9.351  0 60  GLY A CA  1 ? 
ATOM   443  C  C   . GLY A 1 60  ? -8.819  -2.020  7.076   1.000 10.969 0 60  GLY A C   1 ? 
ATOM   444  O  O   . GLY A 1 60  ? -8.259  -2.817  7.837   1.000 13.572 0 60  GLY A O   1 ? 
ATOM   445  N  N   . ASN A 1 61  ? -8.286  -1.614  5.907   1.000 9.229  0 61  ASN A N   1 ? 
ATOM   446  C  CA  . ASN A 1 61  ? -6.986  -2.104  5.471   1.000 9.691  0 61  ASN A CA  1 ? 
ATOM   447  C  C   . ASN A 1 61  ? -5.932  -1.007  5.366   1.000 8.681  0 61  ASN A C   1 ? 
ATOM   448  O  O   . ASN A 1 61  ? -4.808  -1.274  4.918   1.000 9.478  0 61  ASN A O   1 ? 
ATOM   449  C  CB  . ASN A 1 61  ? -7.114  -2.856  4.145   1.000 10.028 0 61  ASN A CB  1 ? 
ATOM   450  C  CG  . ASN A 1 61  ? -7.956  -4.101  4.319   1.000 11.911 0 61  ASN A CG  1 ? 
ATOM   451  O  OD1 . ASN A 1 61  ? -7.522  -5.024  5.005   1.000 15.356 0 61  ASN A OD1 1 ? 
ATOM   452  N  ND2 . ASN A 1 61  ? -9.122  -4.165  3.710   1.000 12.716 0 61  ASN A ND2 1 ? 
ATOM   453  N  N   . GLU A 1 62  ? -6.278  0.185   5.826   1.000 7.620  0 62  GLU A N   1 ? 
ATOM   454  C  CA  . GLU A 1 62  ? -5.371  1.312   5.775   1.000 7.798  0 62  GLU A CA  1 ? 
ATOM   455  C  C   . GLU A 1 62  ? -4.183  1.167   6.724   1.000 7.468  0 62  GLU A C   1 ? 
ATOM   456  O  O   . GLU A 1 62  ? -4.295  0.693   7.868   1.000 8.689  0 62  GLU A O   1 ? 
ATOM   457  C  CB  . GLU A 1 62  ? -6.057  2.628   6.151   1.000 7.372  0 62  GLU A CB  1 ? 
ATOM   458  C  CG  . GLU A 1 62  ? -7.186  3.000   5.183   1.000 7.638  0 62  GLU A CG  1 ? 
ATOM   459  C  CD  . GLU A 1 62  ? -8.589  2.516   5.554   1.000 7.169  0 62  GLU A CD  1 ? 
ATOM   460  O  OE1 . GLU A 1 62  ? -8.700  1.646   6.436   1.000 7.032  0 62  GLU A OE1 1 ? 
ATOM   461  O  OE2 . GLU A 1 62  ? -9.538  2.941   4.880   1.000 6.769  0 62  GLU A OE2 1 ? 
ATOM   462  N  N   . GLN A 1 63  ? -3.075  1.762   6.292   1.000 7.057  0 63  GLN A N   1 ? 
ATOM   463  C  CA  . GLN A 1 63  ? -1.966  2.132   7.169   1.000 7.328  0 63  GLN A CA  1 ? 
ATOM   464  C  C   . GLN A 1 63  ? -1.598  3.574   6.873   1.000 7.261  0 63  GLN A C   1 ? 
ATOM   465  O  O   . GLN A 1 63  ? -1.283  3.903   5.732   1.000 8.157  0 63  GLN A O   1 ? 
ATOM   466  C  CB  . GLN A 1 63  ? -0.759  1.214   7.004   1.000 7.733  0 63  GLN A CB  1 ? 
ATOM   467  C  CG  . GLN A 1 63  ? -1.049  -0.237  7.330   1.000 7.970  0 63  GLN A CG  1 ? 
ATOM   468  C  CD  . GLN A 1 63  ? 0.118   -1.159  7.058   1.000 9.187  0 63  GLN A CD  1 ? 
ATOM   469  O  OE1 . GLN A 1 63  ? 1.238   -0.864  7.485   1.000 10.915 0 63  GLN A OE1 1 ? 
ATOM   470  N  NE2 . GLN A 1 63  ? -0.182  -2.250  6.360   1.000 9.413  0 63  GLN A NE2 1 ? 
ATOM   471  N  N   . PHE A 1 64  ? -1.654  4.440   7.875   1.000 7.217  0 64  PHE A N   1 ? 
ATOM   472  C  CA  . PHE A 1 64  ? -1.295  5.839   7.710   1.000 7.792  0 64  PHE A CA  1 ? 
ATOM   473  C  C   . PHE A 1 64  ? 0.067   6.028   8.388   1.000 8.501  0 64  PHE A C   1 ? 
ATOM   474  O  O   . PHE A 1 64  ? 0.160   5.751   9.591   1.000 10.942 0 64  PHE A O   1 ? 
ATOM   475  C  CB  . PHE A 1 64  ? -2.345  6.711   8.380   1.000 8.274  0 64  PHE A CB  1 ? 
ATOM   476  C  CG  . PHE A 1 64  ? -3.739  6.672   7.805   1.000 8.457  0 64  PHE A CG  1 ? 
ATOM   477  C  CD1 . PHE A 1 64  ? -4.047  6.126   6.581   1.000 8.926  0 64  PHE A CD1 1 ? 
ATOM   478  C  CD2 . PHE A 1 64  ? -4.742  7.356   8.478   1.000 9.935  0 64  PHE A CD2 1 ? 
ATOM   479  C  CE1 . PHE A 1 64  ? -5.352  6.185   6.090   1.000 8.480  0 64  PHE A CE1 1 ? 
ATOM   480  C  CE2 . PHE A 1 64  ? -6.037  7.402   7.995   1.000 10.787 0 64  PHE A CE2 1 ? 
ATOM   481  C  CZ  . PHE A 1 64  ? -6.345  6.808   6.795   1.000 9.915  0 64  PHE A CZ  1 ? 
ATOM   482  N  N   . ILE A 1 65  ? 1.089   6.482   7.651   1.000 7.721  0 65  ILE A N   1 ? 
ATOM   483  C  CA  . ILE A 1 65  ? 2.443   6.643   8.174   1.000 8.043  0 65  ILE A CA  1 ? 
ATOM   484  C  C   . ILE A 1 65  ? 2.983   7.976   7.684   1.000 7.806  0 65  ILE A C   1 ? 
ATOM   485  O  O   . ILE A 1 65  ? 3.001   8.248   6.477   1.000 7.724  0 65  ILE A O   1 ? 
ATOM   486  C  CB  . ILE A 1 65  ? 3.334   5.459   7.741   1.000 7.530  0 65  ILE A CB  1 ? 
ATOM   487  C  CG1 . ILE A 1 65  ? 2.706   4.099   8.070   1.000 8.501  0 65  ILE A CG1 1 ? 
ATOM   488  C  CG2 . ILE A 1 65  ? 4.717   5.606   8.358   1.000 7.441  0 65  ILE A CG2 1 ? 
ATOM   489  C  CD1 . ILE A 1 65  ? 3.435   2.908   7.545   1.000 8.562  0 65  ILE A CD1 1 ? 
ATOM   490  N  N   . SER A 1 66  ? 3.460   8.806   8.608   1.000 9.153  0 66  SER A N   1 ? 
ATOM   491  C  CA  . SER A 1 66  ? 4.113   10.067  8.260   1.000 10.097 0 66  SER A CA  1 ? 
ATOM   492  C  C   . SER A 1 66  ? 5.441   9.855   7.530   1.000 9.523  0 66  SER A C   1 ? 
ATOM   493  O  O   . SER A 1 66  ? 6.185   8.911   7.772   1.000 9.055  0 66  SER A O   1 ? 
ATOM   494  C  CB  . SER A 1 66  ? 4.419   10.809  9.509   1.000 12.048 0 66  SER A CB  1 ? 
ATOM   495  O  OG  . SER A 1 66  ? 3.220   11.160  10.159  1.000 16.439 0 66  SER A OG  1 ? 
ATOM   496  N  N   . ALA A 1 67  ? 5.718   10.751  6.589   1.000 9.883  0 67  ALA A N   1 ? 
ATOM   497  C  CA  . ALA A 1 67  ? 7.045   10.806  5.983   1.000 11.360 0 67  ALA A CA  1 ? 
ATOM   498  C  C   . ALA A 1 67  ? 8.058   11.337  6.982   1.000 11.684 0 67  ALA A C   1 ? 
ATOM   499  O  O   . ALA A 1 67  ? 7.788   12.332  7.678   1.000 13.024 0 67  ALA A O   1 ? 
ATOM   500  C  CB  . ALA A 1 67  ? 7.016   11.665  4.740   1.000 11.740 0 67  ALA A CB  1 ? 
ATOM   501  N  N   . SER A 1 68  ? 9.225   10.682  7.071   1.000 10.722 0 68  SER A N   1 ? 
ATOM   502  C  CA  . SER A 1 68  ? 10.351  11.185  7.860   1.000 12.183 0 68  SER A CA  1 ? 
ATOM   503  C  C   . SER A 1 68  ? 11.314  12.020  7.015   1.000 11.166 0 68  SER A C   1 ? 
ATOM   504  O  O   . SER A 1 68  ? 12.019  12.881  7.517   1.000 11.331 0 68  SER A O   1 ? 
ATOM   505  C  CB  . SER A 1 68  ? 11.155  10.087  8.497   1.000 13.027 0 68  SER A CB  1 ? 
ATOM   506  O  OG  . SER A 1 68  ? 11.612  9.162   7.551   1.000 14.761 0 68  SER A OG  1 ? 
ATOM   507  N  N   . LYS A 1 69  ? 11.380  11.751  5.717   1.000 10.429 0 69  LYS A N   1 ? 
ATOM   508  C  CA  . LYS A 1 69  ? 12.300  12.474  4.846   1.000 11.082 0 69  LYS A CA  1 ? 
ATOM   509  C  C   . LYS A 1 69  ? 11.794  12.379  3.414   1.000 9.372  0 69  LYS A C   1 ? 
ATOM   510  O  O   . LYS A 1 69  ? 11.278  11.328  2.999   1.000 9.993  0 69  LYS A O   1 ? 
ATOM   511  C  CB  . LYS A 1 69  ? 13.699  11.850  4.968   1.000 13.442 0 69  LYS A CB  1 ? 
ATOM   512  C  CG  . LYS A 1 69  ? 14.761  12.306  3.977   1.000 17.107 0 69  LYS A CG  1 ? 
ATOM   513  C  CD  . LYS A 1 69  ? 16.051  11.497  4.054   1.000 17.322 0 69  LYS A CD  1 ? 
ATOM   514  C  CE  . LYS A 1 69  ? 16.883  11.873  5.257   1.000 19.160 0 69  LYS A CE  1 ? 
ATOM   515  N  NZ  . LYS A 1 69  ? 18.241  11.287  5.276   1.000 19.212 0 69  LYS A NZ  1 ? 
ATOM   516  N  N   . SER A 1 70  ? 11.952  13.463  2.667   1.000 8.273  0 70  SER A N   1 ? 
ATOM   517  C  CA  . SER A 1 70  ? 11.674  13.462  1.250   1.000 8.504  0 70  SER A CA  1 ? 
ATOM   518  C  C   . SER A 1 70  ? 12.957  13.826  0.516   1.000 7.695  0 70  SER A C   1 ? 
ATOM   519  O  O   . SER A 1 70  ? 13.701  14.648  1.017   1.000 8.189  0 70  SER A O   1 ? 
ATOM   520  C  CB  . SER A 1 70  ? 10.545  14.409  0.893   1.000 10.720 0 70  SER A CB  1 ? 
ATOM   521  O  OG  . SER A 1 70  ? 9.352   13.948  1.522   1.000 16.231 0 70  SER A OG  1 ? 
ATOM   522  N  N   . ILE A 1 71  ? 13.174  13.194  -0.639  1.000 6.159  0 71  ILE A N   1 ? 
ATOM   523  C  CA  . ILE A 1 71  ? 14.359  13.429  -1.477  1.000 6.291  0 71  ILE A CA  1 ? 
ATOM   524  C  C   . ILE A 1 71  ? 13.889  13.623  -2.909  1.000 5.688  0 71  ILE A C   1 ? 
ATOM   525  O  O   . ILE A 1 71  ? 13.565  12.658  -3.599  1.000 5.961  0 71  ILE A O   1 ? 
ATOM   526  C  CB  . ILE A 1 71  ? 15.380  12.271  -1.399  1.000 6.709  0 71  ILE A CB  1 ? 
ATOM   527  C  CG1 . ILE A 1 71  ? 15.733  12.007  0.073   1.000 7.192  0 71  ILE A CG1 1 ? 
ATOM   528  C  CG2 . ILE A 1 71  ? 16.616  12.640  -2.232  1.000 6.965  0 71  ILE A CG2 1 ? 
ATOM   529  C  CD1 . ILE A 1 71  ? 16.563  10.771  0.272   1.000 8.678  0 71  ILE A CD1 1 ? 
ATOM   530  N  N   . VAL A 1 72  ? 13.834  14.890  -3.338  1.000 5.025  0 72  VAL A N   1 ? 
ATOM   531  C  CA  . VAL A 1 72  ? 13.634  15.206  -4.735  1.000 5.176  0 72  VAL A CA  1 ? 
ATOM   532  C  C   . VAL A 1 72  ? 14.905  14.845  -5.510  1.000 5.158  0 72  VAL A C   1 ? 
ATOM   533  O  O   . VAL A 1 72  ? 16.027  15.083  -5.031  1.000 5.336  0 72  VAL A O   1 ? 
ATOM   534  C  CB  . VAL A 1 72  ? 13.206  16.679  -4.851  1.000 5.050  0 72  VAL A CB  1 ? 
ATOM   535  C  CG1 . VAL A 1 72  ? 13.261  17.171  -6.278  1.000 5.269  0 72  VAL A CG1 1 ? 
ATOM   536  C  CG2 . VAL A 1 72  ? 11.826  16.900  -4.249  1.000 5.321  0 72  VAL A CG2 1 ? 
ATOM   537  N  N   . HIS A 1 73  ? 14.745  14.360  -6.749  1.000 5.025  0 73  HIS A N   1 ? 
ATOM   538  C  CA  . HIS A 1 73  ? 15.883  14.011  -7.577  1.000 5.610  0 73  HIS A CA  1 ? 
ATOM   539  C  C   . HIS A 1 73  ? 16.837  15.208  -7.632  1.000 5.830  0 73  HIS A C   1 ? 
ATOM   540  O  O   . HIS A 1 73  ? 16.397  16.356  -7.815  1.000 5.826  0 73  HIS A O   1 ? 
ATOM   541  C  CB  . HIS A 1 73  ? 15.410  13.606  -8.986  1.000 5.917  0 73  HIS A CB  1 ? 
ATOM   542  C  CG  . HIS A 1 73  ? 16.528  13.010  -9.768  1.000 6.330  0 73  HIS A CG  1 ? 
ATOM   543  N  ND1 . HIS A 1 73  ? 17.511  13.706  -10.454 1.000 6.875  0 73  HIS A ND1 1 ? 
ATOM   544  C  CD2 . HIS A 1 73  ? 16.826  11.679  -9.847  1.000 6.477  0 73  HIS A CD2 1 ? 
ATOM   545  C  CE1 . HIS A 1 73  ? 18.395  12.820  -10.923 1.000 6.543  0 73  HIS A CE1 1 ? 
ATOM   546  N  NE2 . HIS A 1 73  ? 17.994  11.547  -10.540 1.000 7.261  0 73  HIS A NE2 1 ? 
ATOM   547  N  N   . PRO A 1 74  ? 18.165  14.971  -7.561  1.000 6.375  0 74  PRO A N   1 ? 
ATOM   548  C  CA  . PRO A 1 74  ? 19.120  16.073  -7.598  1.000 6.718  0 74  PRO A CA  1 ? 
ATOM   549  C  C   . PRO A 1 74  ? 18.956  16.976  -8.806  1.000 6.301  0 74  PRO A C   1 ? 
ATOM   550  O  O   . PRO A 1 74  ? 19.291  18.143  -8.685  1.000 6.304  0 74  PRO A O   1 ? 
ATOM   551  C  CB  . PRO A 1 74  ? 20.487  15.378  -7.632  1.000 7.797  0 74  PRO A CB  1 ? 
ATOM   552  C  CG  . PRO A 1 74  ? 20.180  13.949  -7.891  1.000 8.872  0 74  PRO A CG  1 ? 
ATOM   553  C  CD  . PRO A 1 74  ? 18.801  13.658  -7.346  1.000 7.176  0 74  PRO A CD  1 ? 
ATOM   554  N  N   . SER A 1 75  ? 18.538  16.428  -9.957  1.000 5.365  0 75  SER A N   1 ? 
ATOM   555  C  CA  . SER A 1 75  ? 18.464  17.144  -11.228 1.000 5.930  0 75  SER A CA  1 ? 
ATOM   556  C  C   . SER A 1 75  ? 17.044  17.501  -11.640 1.000 5.286  0 75  SER A C   1 ? 
ATOM   557  O  O   . SER A 1 75  ? 16.841  17.910  -12.805 1.000 5.458  0 75  SER A O   1 ? 
ATOM   558  C  CB  . SER A 1 75  ? 19.147  16.333  -12.295 1.000 7.337  0 75  SER A CB  1 ? 
ATOM   559  O  OG  . SER A 1 75  ? 20.516  16.203  -11.946 1.000 9.280  0 75  SER A OG  1 ? 
ATOM   560  N  N   . TYR A 1 76  ? 16.107  17.410  -10.709 1.000 5.200  0 76  TYR A N   1 ? 
ATOM   561  C  CA  . TYR A 1 76  ? 14.754  17.801  -11.067 1.000 4.967  0 76  TYR A CA  1 ? 
ATOM   562  C  C   . TYR A 1 76  ? 14.720  19.267  -11.533 1.000 5.295  0 76  TYR A C   1 ? 
ATOM   563  O  O   . TYR A 1 76  ? 15.222  20.170  -10.827 1.000 5.926  0 76  TYR A O   1 ? 
ATOM   564  C  CB  . TYR A 1 76  ? 13.818  17.658  -9.878  1.000 4.809  0 76  TYR A CB  1 ? 
ATOM   565  C  CG  . TYR A 1 76  ? 12.431  18.218  -10.098 1.000 4.701  0 76  TYR A CG  1 ? 
ATOM   566  C  CD1 . TYR A 1 76  ? 11.652  17.768  -11.144 1.000 4.967  0 76  TYR A CD1 1 ? 
ATOM   567  C  CD2 . TYR A 1 76  ? 11.898  19.154  -9.229  1.000 4.606  0 76  TYR A CD2 1 ? 
ATOM   568  C  CE1 . TYR A 1 76  ? 10.350  18.197  -11.287 1.000 4.749  0 76  TYR A CE1 1 ? 
ATOM   569  C  CE2 . TYR A 1 76  ? 10.605  19.609  -9.388  1.000 4.483  0 76  TYR A CE2 1 ? 
ATOM   570  C  CZ  . TYR A 1 76  ? 9.843   19.157  -10.441 1.000 4.896  0 76  TYR A CZ  1 ? 
ATOM   571  O  OH  . TYR A 1 76  ? 8.548   19.624  -10.668 1.000 5.593  0 76  TYR A OH  1 ? 
ATOM   572  N  N   . ASN A 1 77  ? 14.035  19.497  -12.670 1.000 5.154  0 77  ASN A N   1 ? 
ATOM   573  C  CA  . ASN A 1 77  ? 13.756  20.841  -13.191 1.000 5.375  0 77  ASN A CA  1 ? 
ATOM   574  C  C   . ASN A 1 77  ? 12.244  21.043  -13.306 1.000 5.638  0 77  ASN A C   1 ? 
ATOM   575  O  O   . ASN A 1 77  ? 11.576  20.332  -14.061 1.000 5.743  0 77  ASN A O   1 ? 
ATOM   576  C  CB  . ASN A 1 77  ? 14.401  21.011  -14.571 1.000 5.891  0 77  ASN A CB  1 ? 
ATOM   577  C  CG  . ASN A 1 77  ? 14.193  22.389  -15.173 1.000 6.975  0 77  ASN A CG  1 ? 
ATOM   578  O  OD1 . ASN A 1 77  ? 13.070  22.846  -15.209 1.000 7.694  0 77  ASN A OD1 1 ? 
ATOM   579  N  ND2 . ASN A 1 77  ? 15.259  23.089  -15.544 1.000 8.681  0 77  ASN A ND2 1 ? 
ATOM   580  N  N   . SER A 1 78  ? 11.712  21.953  -12.494 1.000 5.259  0 78  SER A N   1 ? 
ATOM   581  C  CA  . SER A 1 78  ? 10.261  22.117  -12.381 1.000 5.968  0 78  SER A CA  1 ? 
ATOM   582  C  C   . SER A 1 78  ? 9.666   22.822  -13.602 1.000 6.257  0 78  SER A C   1 ? 
ATOM   583  O  O   . SER A 1 78  ? 8.438   22.760  -13.781 1.000 7.929  0 78  SER A O   1 ? 
ATOM   584  C  CB  . SER A 1 78  ? 9.904   22.850  -11.127 1.000 6.921  0 78  SER A CB  1 ? 
ATOM   585  O  OG  . SER A 1 78  ? 10.601  24.087  -11.055 1.000 9.085  0 78  SER A OG  1 ? 
ATOM   586  N  N   . ASN A 1 79  ? 10.504  23.507  -14.394 1.000 6.064  0 79  ASN A N   1 ? 
ATOM   587  C  CA  . ASN A 1 79  ? 10.020  24.137  -15.630 1.000 6.517  0 79  ASN A CA  1 ? 
ATOM   588  C  C   . ASN A 1 79  ? 9.785   23.130  -16.736 1.000 6.475  0 79  ASN A C   1 ? 
ATOM   589  O  O   . ASN A 1 79  ? 8.754   23.173  -17.393 1.000 7.725  0 79  ASN A O   1 ? 
ATOM   590  C  CB  . ASN A 1 79  ? 10.969  25.261  -16.059 1.000 6.369  0 79  ASN A CB  1 ? 
ATOM   591  C  CG  . ASN A 1 79  ? 10.994  26.402  -15.058 1.000 6.251  0 79  ASN A CG  1 ? 
ATOM   592  O  OD1 . ASN A 1 79  ? 9.938   26.730  -14.491 1.000 8.053  0 79  ASN A OD1 1 ? 
ATOM   593  N  ND2 . ASN A 1 79  ? 12.197  26.940  -14.864 1.000 7.345  0 79  ASN A ND2 1 ? 
ATOM   594  N  N   . THR A 1 80  ? 10.714  22.200  -16.926 1.000 5.777  0 80  THR A N   1 ? 
ATOM   595  C  CA  . THR A 1 80  ? 10.628  21.210  -17.995 1.000 6.184  0 80  THR A CA  1 ? 
ATOM   596  C  C   . THR A 1 80  ? 10.051  19.876  -17.541 1.000 6.501  0 80  THR A C   1 ? 
ATOM   597  O  O   . THR A 1 80  ? 9.665   19.055  -18.405 1.000 6.637  0 80  THR A O   1 ? 
ATOM   598  C  CB  . THR A 1 80  ? 12.000  20.934  -18.567 1.000 6.407  0 80  THR A CB  1 ? 
ATOM   599  O  OG1 . THR A 1 80  ? 12.818  20.353  -17.537 1.000 6.954  0 80  THR A OG1 1 ? 
ATOM   600  C  CG2 . THR A 1 80  ? 12.627  22.197  -19.111 1.000 6.165  0 80  THR A CG2 1 ? 
ATOM   601  N  N   . LEU A 1 81  ? 10.010  19.682  -16.230 1.000 6.185  0 81  LEU A N   1 ? 
ATOM   602  C  CA  . LEU A 1 81  ? 9.645   18.426  -15.568 1.000 6.167  0 81  LEU A CA  1 ? 
ATOM   603  C  C   . LEU A 1 81  ? 10.627  17.289  -15.902 1.000 5.608  0 81  LEU A C   1 ? 
ATOM   604  O  O   . LEU A 1 81  ? 10.343  16.126  -15.634 1.000 5.316  0 81  LEU A O   1 ? 
ATOM   605  C  CB  . LEU A 1 81  ? 8.174   18.042  -15.826 1.000 6.970  0 81  LEU A CB  1 ? 
ATOM   606  C  CG  . LEU A 1 81  ? 7.156   19.065  -15.321 1.000 8.088  0 81  LEU A CG  1 ? 
ATOM   607  C  CD1 . LEU A 1 81  ? 5.774   18.618  -15.652 1.000 8.435  0 81  LEU A CD1 1 ? 
ATOM   608  C  CD2 . LEU A 1 81  ? 7.278   19.260  -13.815 1.000 9.168  0 81  LEU A CD2 1 ? 
ATOM   609  N  N   . ASN A 1 82  ? 11.843  17.593  -16.355 1.000 5.115  0 82  ASN A N   1 ? 
ATOM   610  C  CA  . ASN A 1 82  ? 12.867  16.586  -16.512 1.000 5.434  0 82  ASN A CA  1 ? 
ATOM   611  C  C   . ASN A 1 82  ? 13.233  16.071  -15.119 1.000 5.175  0 82  ASN A C   1 ? 
ATOM   612  O  O   . ASN A 1 82  ? 13.430  16.867  -14.183 1.000 5.454  0 82  ASN A O   1 ? 
ATOM   613  C  CB  . ASN A 1 82  ? 14.093  17.166  -17.203 1.000 5.405  0 82  ASN A CB  1 ? 
ATOM   614  C  CG  . ASN A 1 82  ? 14.980  16.092  -17.790 1.000 5.862  0 82  ASN A CG  1 ? 
ATOM   615  O  OD1 . ASN A 1 82  ? 14.526  14.992  -18.107 1.000 6.142  0 82  ASN A OD1 1 ? 
ATOM   616  N  ND2 . ASN A 1 82  ? 16.264  16.405  -17.951 1.000 7.784  0 82  ASN A ND2 1 ? 
ATOM   617  N  N   . ASN A 1 83  ? 13.374  14.741  -15.017 1.000 4.818  0 83  ASN A N   1 ? 
ATOM   618  C  CA  . ASN A 1 83  ? 13.724  14.088  -13.754 1.000 4.943  0 83  ASN A CA  1 ? 
ATOM   619  C  C   . ASN A 1 83  ? 12.634  14.310  -12.693 1.000 4.720  0 83  ASN A C   1 ? 
ATOM   620  O  O   . ASN A 1 83  ? 12.927  14.559  -11.522 1.000 4.916  0 83  ASN A O   1 ? 
ATOM   621  C  CB  . ASN A 1 83  ? 15.071  14.543  -13.202 1.000 4.755  0 83  ASN A CB  1 ? 
ATOM   622  C  CG  . ASN A 1 83  ? 16.216  14.434  -14.195 1.000 5.063  0 83  ASN A CG  1 ? 
ATOM   623  O  OD1 . ASN A 1 83  ? 16.572  13.331  -14.612 1.000 6.281  0 83  ASN A OD1 1 ? 
ATOM   624  N  ND2 . ASN A 1 83  ? 16.721  15.580  -14.633 1.000 5.312  0 83  ASN A ND2 1 ? 
ATOM   625  N  N   . ASP A 1 84  ? 11.374  14.046  -13.064 1.000 4.533  0 84  ASP A N   1 ? 
ATOM   626  C  CA  . ASP A 1 84  ? 10.189  14.210  -12.219 1.000 4.406  0 84  ASP A CA  1 ? 
ATOM   627  C  C   . ASP A 1 84  ? 9.990   12.975  -11.359 1.000 4.333  0 84  ASP A C   1 ? 
ATOM   628  O  O   . ASP A 1 84  ? 9.106   12.146  -11.586 1.000 4.532  0 84  ASP A O   1 ? 
ATOM   629  C  CB  . ASP A 1 84  ? 8.959   14.602  -13.029 1.000 4.445  0 84  ASP A CB  1 ? 
ATOM   630  C  CG  . ASP A 1 84  ? 7.807   15.049  -12.171 1.000 4.453  0 84  ASP A CG  1 ? 
ATOM   631  O  OD1 . ASP A 1 84  ? 8.045   15.331  -10.987 1.000 4.558  0 84  ASP A OD1 1 ? 
ATOM   632  O  OD2 . ASP A 1 84  ? 6.654   15.144  -12.691 1.000 4.643  0 84  ASP A OD2 1 ? 
ATOM   633  N  N   . ILE A 1 85  ? 10.855  12.907  -10.350 1.000 4.799  0 85  ILE A N   1 ? 
ATOM   634  C  CA  . ILE A 1 85  ? 10.881  11.754  -9.452  1.000 4.918  0 85  ILE A CA  1 ? 
ATOM   635  C  C   . ILE A 1 85  ? 11.339  12.180  -8.062  1.000 4.808  0 85  ILE A C   1 ? 
ATOM   636  O  O   . ILE A 1 85  ? 12.226  13.032  -7.935  1.000 4.696  0 85  ILE A O   1 ? 
ATOM   637  C  CB  . ILE A 1 85  ? 11.714  10.607  -10.027 1.000 4.922  0 85  ILE A CB  1 ? 
ATOM   638  C  CG1 . ILE A 1 85  ? 11.564  9.336   -9.205  1.000 5.184  0 85  ILE A CG1 1 ? 
ATOM   639  C  CG2 . ILE A 1 85  ? 13.194  10.975  -10.234 1.000 4.785  0 85  ILE A CG2 1 ? 
ATOM   640  C  CD1 . ILE A 1 85  ? 12.163  8.088   -9.874  1.000 5.495  0 85  ILE A CD1 1 ? 
ATOM   641  N  N   . MET A 1 86  ? 10.750  11.589  -7.018  1.000 5.082  0 86  MET A N   1 ? 
ATOM   642  C  CA  . MET A 1 86  ? 11.134  11.860  -5.642  1.000 6.023  0 86  MET A CA  1 ? 
ATOM   643  C  C   . MET A 1 86  ? 10.941  10.580  -4.845  1.000 5.802  0 86  MET A C   1 ? 
ATOM   644  O  O   . MET A 1 86  ? 10.065  9.764   -5.172  1.000 5.660  0 86  MET A O   1 ? 
ATOM   645  C  CB  . MET A 1 86  ? 10.321  13.008  -5.016  1.000 7.633  0 86  MET A CB  1 ? 
ATOM   646  C  CG  . MET A 1 86  ? 8.921   12.727  -4.715  1.000 9.647  0 86  MET A CG  1 ? 
ATOM   647  S  SD  . MET A 1 86  ? 8.150   14.086  -3.786  1.000 14.371 0 86  MET A SD  1 ? 
ATOM   648  C  CE  . MET A 1 86  ? 9.339   14.670  -2.743  1.000 11.767 0 86  MET A CE  1 ? 
ATOM   649  N  N   . LEU A 1 87  ? 11.750  10.407  -3.802  1.000 5.084  0 87  LEU A N   1 ? 
ATOM   650  C  CA  . LEU A 1 87  ? 11.639  9.338   -2.824  1.000 5.074  0 87  LEU A CA  1 ? 
ATOM   651  C  C   . LEU A 1 87  ? 11.174  9.894   -1.477  1.000 5.379  0 87  LEU A C   1 ? 
ATOM   652  O  O   . LEU A 1 87  ? 11.509  11.014  -1.061  1.000 5.777  0 87  LEU A O   1 ? 
ATOM   653  C  CB  . LEU A 1 87  ? 12.991  8.654   -2.620  1.000 5.450  0 87  LEU A CB  1 ? 
ATOM   654  C  CG  . LEU A 1 87  ? 13.420  7.760   -3.769  1.000 5.748  0 87  LEU A CG  1 ? 
ATOM   655  C  CD1 . LEU A 1 87  ? 14.933  7.488   -3.691  1.000 6.841  0 87  LEU A CD1 1 ? 
ATOM   656  C  CD2 . LEU A 1 87  ? 12.591  6.452   -3.811  1.000 6.552  0 87  LEU A CD2 1 ? 
ATOM   657  N  N   . ILE A 1 88  ? 10.289  9.121   -0.845  1.000 5.493  0 88  ILE A N   1 ? 
ATOM   658  C  CA  . ILE A 1 88  ? 9.775   9.459   0.470   1.000 5.942  0 88  ILE A CA  1 ? 
ATOM   659  C  C   . ILE A 1 88  ? 10.038  8.280   1.408   1.000 6.172  0 88  ILE A C   1 ? 
ATOM   660  O  O   . ILE A 1 88  ? 9.636   7.135   1.128   1.000 6.272  0 88  ILE A O   1 ? 
ATOM   661  C  CB  . ILE A 1 88  ? 8.269   9.752   0.419   1.000 6.335  0 88  ILE A CB  1 ? 
ATOM   662  C  CG1 . ILE A 1 88  ? 7.983   10.901  -0.561  1.000 6.570  0 88  ILE A CG1 1 ? 
ATOM   663  C  CG2 . ILE A 1 88  ? 7.795   10.000  1.857   1.000 7.350  0 88  ILE A CG2 1 ? 
ATOM   664  C  CD1 . ILE A 1 88  ? 6.479   10.939  -0.923  1.000 7.953  0 88  ILE A CD1 1 ? 
ATOM   665  N  N   . LYS A 1 89  ? 10.747  8.563   2.507   1.000 6.344  0 89  LYS A N   1 ? 
ATOM   666  C  CA  . LYS A 1 89  ? 10.985  7.551   3.532   1.000 7.326  0 89  LYS A CA  1 ? 
ATOM   667  C  C   . LYS A 1 89  ? 9.864   7.681   4.561   1.000 7.025  0 89  LYS A C   1 ? 
ATOM   668  O  O   . LYS A 1 89  ? 9.528   8.773   5.052   1.000 8.210  0 89  LYS A O   1 ? 
ATOM   669  C  CB  . LYS A 1 89  ? 12.373  7.640   4.170   1.000 7.850  0 89  LYS A CB  1 ? 
ATOM   670  C  CG  . LYS A 1 89  ? 12.700  6.478   5.098   1.000 8.595  0 89  LYS A CG  1 ? 
ATOM   671  C  CD  . LYS A 1 89  ? 14.077  6.569   5.679   1.000 9.697  0 89  LYS A CD  1 ? 
ATOM   672  C  CE  . LYS A 1 89  ? 14.322  5.339   6.523   1.000 11.258 0 89  LYS A CE  1 ? 
ATOM   673  N  NZ  . LYS A 1 89  ? 15.609  5.413   7.244   1.000 13.385 0 89  LYS A NZ  1 ? 
ATOM   674  N  N   . LEU A 1 90  ? 9.348   6.517   4.959   1.000 7.704  0 90  LEU A N   1 ? 
ATOM   675  C  CA  . LEU A 1 90  ? 8.314   6.415   6.005   1.000 8.446  0 90  LEU A CA  1 ? 
ATOM   676  C  C   . LEU A 1 90  ? 8.947   6.409   7.408   1.000 9.054  0 90  LEU A C   1 ? 
ATOM   677  O  O   . LEU A 1 90  ? 10.019  5.855   7.623   1.000 8.660  0 90  LEU A O   1 ? 
ATOM   678  C  CB  . LEU A 1 90  ? 7.523   5.127   5.798   1.000 8.912  0 90  LEU A CB  1 ? 
ATOM   679  C  CG  . LEU A 1 90  ? 6.870   4.965   4.434   1.000 9.158  0 90  LEU A CG  1 ? 
ATOM   680  C  CD1 . LEU A 1 90  ? 6.020   3.698   4.382   1.000 9.393  0 90  LEU A CD1 1 ? 
ATOM   681  C  CD2 . LEU A 1 90  ? 6.055   6.171   4.084   1.000 11.304 0 90  LEU A CD2 1 ? 
ATOM   682  N  N   . LYS A 1 91  ? 8.273   7.044   8.378   1.000 9.057  0 91  LYS A N   1 ? 
ATOM   683  C  CA  . LYS A 1 91  ? 8.764   7.099   9.762   1.000 11.151 0 91  LYS A CA  1 ? 
ATOM   684  C  C   . LYS A 1 91  ? 8.876   5.721   10.386  1.000 11.602 0 91  LYS A C   1 ? 
ATOM   685  O  O   . LYS A 1 91  ? 9.688   5.511   11.297  1.000 11.423 0 91  LYS A O   1 ? 
ATOM   686  C  CB  . LYS A 1 91  ? 7.835   7.984   10.600  1.000 13.357 0 91  LYS A CB  1 ? 
ATOM   687  C  CG  . LYS A 1 91  ? 8.152   9.455   10.527  1.000 17.625 0 91  LYS A CG  1 ? 
ATOM   688  C  CD  . LYS A 1 91  ? 7.521   10.231  11.656  1.000 22.824 0 91  LYS A CD  1 ? 
ATOM   689  C  CE  . LYS A 1 91  ? 7.785   11.721  11.568  1.000 27.712 0 91  LYS A CE  1 ? 
ATOM   690  N  NZ  . LYS A 1 91  ? 6.851   12.444  12.469  1.000 32.206 0 91  LYS A NZ  1 ? 
ATOM   691  N  N   . SER A 1 92  ? 8.003   4.813   9.970   1.000 10.834 0 92  SER A N   1 ? 
ATOM   692  C  CA  . SER A 1 92  ? 8.026   3.433   10.410  1.000 11.272 0 92  SER A CA  1 ? 
ATOM   693  C  C   . SER A 1 92  ? 7.793   2.547   9.203   1.000 11.038 0 92  SER A C   1 ? 
ATOM   694  O  O   . SER A 1 92  ? 7.213   2.973   8.221   1.000 10.920 0 92  SER A O   1 ? 
ATOM   695  C  CB  . SER A 1 92  ? 6.990   3.178   11.482  1.000 12.459 0 92  SER A CB  1 ? 
ATOM   696  O  OG  . SER A 1 92  ? 5.664   3.439   11.072  1.000 14.395 0 92  SER A OG  1 ? 
ATOM   697  N  N   . ALA A 1 93  ? 8.239   1.303   9.255   1.000 11.470 0 93  ALA A N   1 ? 
ATOM   698  C  CA  . ALA A 1 93  ? 8.029   0.348   8.186   1.000 10.043 0 93  ALA A CA  1 ? 
ATOM   699  C  C   . ALA A 1 93  ? 6.552   -0.028  8.123   1.000 10.869 0 93  ALA A C   1 ? 
ATOM   700  O  O   . ALA A 1 93  ? 5.917   -0.349  9.142   1.000 12.356 0 93  ALA A O   1 ? 
ATOM   701  C  CB  . ALA A 1 93  ? 8.852   -0.890  8.464   1.000 10.871 0 93  ALA A CB  1 ? 
ATOM   702  N  N   . ALA A 1 94  ? 6.025   -0.049  6.907   1.000 10.495 0 94  ALA A N   1 ? 
ATOM   703  C  CA  . ALA A 1 94  ? 4.713   -0.621  6.657   1.000 10.081 0 94  ALA A CA  1 ? 
ATOM   704  C  C   . ALA A 1 94  ? 4.707   -2.113  6.946   1.000 10.977 0 94  ALA A C   1 ? 
ATOM   705  O  O   . ALA A 1 94  ? 5.679   -2.834  6.675   1.000 11.241 0 94  ALA A O   1 ? 
ATOM   706  C  CB  . ALA A 1 94  ? 4.283   -0.402  5.232   1.000 10.320 0 94  ALA A CB  1 ? 
ATOM   707  N  N   . SER A 1 95  ? 3.532   -2.600  7.375   1.000 10.020 0 95  SER A N   1 ? 
ATOM   708  C  CA  . SER A 1 95  ? 3.307   -4.042  7.487   1.000 11.382 0 95  SER A CA  1 ? 
ATOM   709  C  C   . SER A 1 95  ? 2.835   -4.598  6.159   1.000 11.434 0 95  SER A C   1 ? 
ATOM   710  O  O   . SER A 1 95  ? 1.742   -4.267  5.722   1.000 11.802 0 95  SER A O   1 ? 
ATOM   711  C  CB  . SER A 1 95  ? 2.267   -4.319  8.546   1.000 12.965 0 95  SER A CB  1 ? 
ATOM   712  O  OG  . SER A 1 95  ? 2.730   -3.880  9.793   1.000 19.565 0 95  SER A OG  1 ? 
ATOM   713  N  N   . LEU A 1 96  ? 3.647   -5.435  5.513   1.000 10.733 0 96  LEU A N   1 ? 
ATOM   714  C  CA  . LEU A 1 96  ? 3.325   -5.910  4.182   1.000 12.009 0 96  LEU A CA  1 ? 
ATOM   715  C  C   . LEU A 1 96  ? 2.481   -7.179  4.297   1.000 13.955 0 96  LEU A C   1 ? 
ATOM   716  O  O   . LEU A 1 96  ? 2.739   -8.026  5.157   1.000 16.485 0 96  LEU A O   1 ? 
ATOM   717  C  CB  . LEU A 1 96  ? 4.615   -6.145  3.391   1.000 12.003 0 96  LEU A CB  1 ? 
ATOM   718  C  CG  . LEU A 1 96  ? 5.530   -4.936  3.249   1.000 12.779 0 96  LEU A CG  1 ? 
ATOM   719  C  CD1 . LEU A 1 96  ? 6.763   -5.303  2.467   1.000 15.671 0 96  LEU A CD1 1 ? 
ATOM   720  C  CD2 . LEU A 1 96  ? 4.822   -3.777  2.586   1.000 14.122 0 96  LEU A CD2 1 ? 
ATOM   721  N  N   . ASN A 1 97  ? 1.452   -7.220  3.455   1.000 14.897 0 97  ASN A N   1 ? 
ATOM   722  C  CA  . ASN A 1 97  ? 0.424   -8.250  3.380   1.000 16.561 0 97  ASN A CA  1 ? 
ATOM   723  C  C   . ASN A 1 97  ? -0.122  -8.262  1.946   1.000 14.992 0 97  ASN A C   1 ? 
ATOM   724  O  O   . ASN A 1 97  ? 0.422   -7.610  1.056   1.000 15.686 0 97  ASN A O   1 ? 
ATOM   725  C  CB  . ASN A 1 97  ? -0.617  -8.029  4.488   1.000 17.432 0 97  ASN A CB  1 ? 
ATOM   726  C  CG  . ASN A 1 97  ? -1.217  -6.632  4.478   1.000 21.142 0 97  ASN A CG  1 ? 
ATOM   727  O  OD1 . ASN A 1 97  ? -1.200  -5.872  5.462   1.000 19.934 0 97  ASN A OD1 1 ? 
ATOM   728  N  ND2 . ASN A 1 97  ? -1.797  -6.316  3.338   1.000 14.144 0 97  ASN A ND2 1 ? 
ATOM   729  N  N   . SER A 1 98  ? -1.194  -9.020  1.673   1.000 12.993 0 98  SER A N   1 ? 
ATOM   730  C  CA  . SER A 1 98  ? -1.721  -9.133  0.317   1.000 12.407 0 98  SER A CA  1 ? 
ATOM   731  C  C   . SER A 1 98  ? -2.292  -7.820  -0.219  1.000 11.692 0 98  SER A C   1 ? 
ATOM   732  O  O   . SER A 1 98  ? -2.352  -7.639  -1.442  1.000 12.073 0 98  SER A O   1 ? 
ATOM   733  C  CB  . SER A 1 98  ? -2.809  -10.197 0.293   1.000 14.527 0 98  SER A CB  1 ? 
ATOM   734  O  OG  . SER A 1 98  ? -3.924  -9.828  1.133   1.000 14.599 0 98  SER A OG  1 ? 
ATOM   735  N  N   . ARG A 1 99  ? -2.724  -6.918  0.672   1.000 11.690 0 99  ARG A N   1 ? 
ATOM   736  C  CA  . ARG A 1 99  ? -3.361  -5.673  0.261   1.000 10.860 0 99  ARG A CA  1 ? 
ATOM   737  C  C   . ARG A 1 99  ? -2.430  -4.464  0.341   1.000 10.921 0 99  ARG A C   1 ? 
ATOM   738  O  O   . ARG A 1 99  ? -2.805  -3.382  -0.121  1.000 11.366 0 99  ARG A O   1 ? 
ATOM   739  C  CB  . ARG A 1 99  ? -4.633  -5.465  1.086   1.000 10.767 0 99  ARG A CB  1 ? 
ATOM   740  C  CG  . ARG A 1 99  ? -5.654  -6.570  0.853   1.000 11.515 0 99  ARG A CG  1 ? 
ATOM   741  C  CD  . ARG A 1 99  ? -6.870  -6.337  1.711   1.000 14.059 0 99  ARG A CD  1 ? 
ATOM   742  N  NE  . ARG A 1 99  ? -7.938  -7.297  1.413   1.000 15.864 0 99  ARG A NE  1 ? 
ATOM   743  C  CZ  . ARG A 1 99  ? -7.980  -8.563  1.814   1.000 20.029 0 99  ARG A CZ  1 ? 
ATOM   744  N  NH1 . ARG A 1 99  ? -7.073  -9.048  2.651   1.000 21.798 0 99  ARG A NH1 1 ? 
ATOM   745  N  NH2 . ARG A 1 99  ? -8.961  -9.349  1.374   1.000 22.618 0 99  ARG A NH2 1 ? 
ATOM   746  N  N   . VAL A 1 100 ? -1.256  -4.629  0.984   1.000 9.549  0 100 VAL A N   1 ? 
ATOM   747  C  CA  . VAL A 1 100 ? -0.241  -3.584  1.068   1.000 8.745  0 100 VAL A CA  1 ? 
ATOM   748  C  C   . VAL A 1 100 ? 1.075   -4.257  0.718   1.000 9.511  0 100 VAL A C   1 ? 
ATOM   749  O  O   . VAL A 1 100 ? 1.603   -5.066  1.480   1.000 10.439 0 100 VAL A O   1 ? 
ATOM   750  C  CB  . VAL A 1 100 ? -0.207  -2.916  2.446   1.000 9.316  0 100 VAL A CB  1 ? 
ATOM   751  C  CG1 . VAL A 1 100 ? 0.928   -1.922  2.535   1.000 9.148  0 100 VAL A CG1 1 ? 
ATOM   752  C  CG2 . VAL A 1 100 ? -1.545  -2.264  2.770   1.000 9.823  0 100 VAL A CG2 1 ? 
ATOM   753  N  N   . ALA A 1 101 ? 1.564   -3.983  -0.479  1.000 7.887  0 101 ALA A N   1 ? 
ATOM   754  C  CA  . ALA A 1 101 ? 2.676   -4.735  -1.019  1.000 7.675  0 101 ALA A CA  1 ? 
ATOM   755  C  C   . ALA A 1 101 ? 3.553   -3.806  -1.847  1.000 8.377  0 101 ALA A C   1 ? 
ATOM   756  O  O   . ALA A 1 101 ? 3.047   -2.846  -2.419  1.000 8.986  0 101 ALA A O   1 ? 
ATOM   757  C  CB  . ALA A 1 101 ? 2.193   -5.897  -1.863  1.000 7.643  0 101 ALA A CB  1 ? 
ATOM   758  N  N   . SER A 1 102 ? 4.854   -4.092  -1.881  1.000 7.910  0 102 SER A N   1 ? 
ATOM   759  C  CA  . SER A 1 102 ? 5.758   -3.343  -2.726  1.000 8.461  0 102 SER A CA  1 ? 
ATOM   760  C  C   . SER A 1 102 ? 5.643   -3.805  -4.179  1.000 7.973  0 102 SER A C   1 ? 
ATOM   761  O  O   . SER A 1 102 ? 5.282   -4.947  -4.477  1.000 10.229 0 102 SER A O   1 ? 
ATOM   762  C  CB  . SER A 1 102 ? 7.160   -3.427  -2.208  1.000 9.811  0 102 SER A CB  1 ? 
ATOM   763  O  OG  . SER A 1 102 ? 7.569   -4.791  -2.107  1.000 11.517 0 102 SER A OG  1 ? 
ATOM   764  N  N   . ILE A 1 103 ? 6.027   -2.911  -5.083  1.000 7.108  0 103 ILE A N   1 ? 
ATOM   765  C  CA  . ILE A 1 103 ? 6.140   -3.183  -6.500  1.000 7.692  0 103 ILE A CA  1 ? 
ATOM   766  C  C   . ILE A 1 103 ? 7.628   -3.238  -6.870  1.000 7.234  0 103 ILE A C   1 ? 
ATOM   767  O  O   . ILE A 1 103 ? 8.406   -2.377  -6.471  1.000 8.492  0 103 ILE A O   1 ? 
ATOM   768  C  CB  . ILE A 1 103 ? 5.358   -2.152  -7.358  1.000 8.707  0 103 ILE A CB  1 ? 
ATOM   769  C  CG1 . ILE A 1 103 ? 5.367   -2.544  -8.834  1.000 9.867  0 103 ILE A CG1 1 ? 
ATOM   770  C  CG2 . ILE A 1 103 ? 5.854   -0.717  -7.174  1.000 9.001  0 103 ILE A CG2 1 ? 
ATOM   771  C  CD1 . ILE A 1 103 ? 4.529   -3.736  -9.089  1.000 10.212 0 103 ILE A CD1 1 ? 
ATOM   772  N  N   . SER A 1 104 ? 7.972   -4.279  -7.648  1.000 8.396  0 104 SER A N   1 ? 
ATOM   773  C  CA  . SER A 1 104 ? 9.315   -4.467  -8.167  1.000 8.979  0 104 SER A CA  1 ? 
ATOM   774  C  C   . SER A 1 104 ? 9.767   -3.287  -9.033  1.000 8.185  0 104 SER A C   1 ? 
ATOM   775  O  O   . SER A 1 104 ? 9.028   -2.813  -9.897  1.000 7.848  0 104 SER A O   1 ? 
ATOM   776  C  CB  . SER A 1 104 ? 9.352   -5.743  -8.981  1.000 11.021 0 104 SER A CB  1 ? 
ATOM   777  O  OG  . SER A 1 104 ? 9.178   -6.869  -8.136  1.000 14.203 0 104 SER A OG  1 ? 
ATOM   778  N  N   . LEU A 1 105 ? 11.048  -2.920  -8.906  1.000 9.698  0 105 LEU A N   1 ? 
ATOM   779  C  CA  . LEU A 1 105 ? 11.686  -1.974  -9.813  1.000 9.992  0 105 LEU A CA  1 ? 
ATOM   780  C  C   . LEU A 1 105 ? 12.134  -2.733  -11.060 1.000 10.033 0 105 LEU A C   1 ? 
ATOM   781  O  O   . LEU A 1 105 ? 12.363  -3.937  -11.006 1.000 11.987 0 105 LEU A O   1 ? 
ATOM   782  C  CB  . LEU A 1 105 ? 12.885  -1.319  -9.121  1.000 10.741 0 105 LEU A CB  1 ? 
ATOM   783  C  CG  . LEU A 1 105 ? 12.545  -0.402  -7.952  1.000 12.882 0 105 LEU A CG  1 ? 
ATOM   784  C  CD1 . LEU A 1 105 ? 13.817  0.039   -7.282  1.000 15.027 0 105 LEU A CD1 1 ? 
ATOM   785  C  CD2 . LEU A 1 105 ? 11.760  0.783   -8.412  1.000 13.982 0 105 LEU A CD2 1 ? 
ATOM   786  N  N   . PRO A 1 106 ? 12.228  -2.057  -12.214 1.000 10.236 0 106 PRO A N   1 ? 
ATOM   787  C  CA  . PRO A 1 106 ? 12.582  -2.714  -13.464 1.000 11.357 0 106 PRO A CA  1 ? 
ATOM   788  C  C   . PRO A 1 106 ? 14.070  -3.027  -13.413 1.000 12.892 0 106 PRO A C   1 ? 
ATOM   789  O  O   . PRO A 1 106 ? 14.833  -2.363  -12.739 1.000 12.598 0 106 PRO A O   1 ? 
ATOM   790  C  CB  . PRO A 1 106 ? 12.255  -1.730  -14.571 1.000 12.971 0 106 PRO A CB  1 ? 
ATOM   791  C  CG  . PRO A 1 106 ? 12.103  -0.396  -13.871 1.000 11.906 0 106 PRO A CG  1 ? 
ATOM   792  C  CD  . PRO A 1 106 ? 11.906  -0.642  -12.379 1.000 11.086 0 106 PRO A CD  1 ? 
ATOM   793  N  N   . THR A 1 107 ? 14.449  -4.097  -14.081 1.000 17.339 0 107 THR A N   1 ? 
ATOM   794  C  CA  . THR A 1 107 ? 15.868  -4.371  -14.290 1.000 18.441 0 107 THR A CA  1 ? 
ATOM   795  C  C   . THR A 1 107 ? 16.235  -3.957  -15.710 1.000 19.526 0 107 THR A C   1 ? 
ATOM   796  O  O   . THR A 1 107 ? 17.406  -3.756  -16.010 1.000 21.614 0 107 THR A O   1 ? 
ATOM   797  C  CB  . THR A 1 107 ? 16.147  -5.869  -14.092 1.000 19.241 0 107 THR A CB  1 ? 
ATOM   798  O  OG1 . THR A 1 107 ? 15.294  -6.516  -15.016 1.000 21.482 0 107 THR A OG1 1 ? 
ATOM   799  C  CG2 . THR A 1 107 ? 15.800  -6.392  -12.726 1.000 22.375 0 107 THR A CG2 1 ? 
ATOM   800  N  N   . SER A 1 108 ? 15.207  -3.816  -16.539 1.000 18.537 0 108 SER A N   1 ? 
ATOM   801  C  CA  . SER A 1 108 ? 15.279  -3.426  -17.923 1.000 21.788 0 108 SER A CA  1 ? 
ATOM   802  C  C   . SER A 1 108 ? 14.121  -2.465  -18.231 1.000 18.732 0 108 SER A C   1 ? 
ATOM   803  O  O   . SER A 1 108 ? 13.052  -2.552  -17.627 1.000 15.318 0 108 SER A O   1 ? 
ATOM   804  C  CB  . SER A 1 108 ? 15.269  -4.683  -18.750 1.000 25.242 0 108 SER A CB  1 ? 
ATOM   805  O  OG  . SER A 1 108 ? 14.460  -4.524  -19.868 1.000 29.579 0 108 SER A OG  1 ? 
ATOM   806  N  N   . CYS A 1 109 ? 14.362  -1.538  -19.144 1.000 16.747 0 109 CYS A N   1 ? 
ATOM   807  C  CA  . CYS A 1 109 ? 13.343  -0.601  -19.596 1.000 15.186 0 109 CYS A CA  1 ? 
ATOM   808  C  C   . CYS A 1 109 ? 12.286  -1.335  -20.387 1.000 16.983 0 109 CYS A C   1 ? 
ATOM   809  O  O   . CYS A 1 109 ? 12.534  -2.421  -20.911 1.000 19.764 0 109 CYS A O   1 ? 
ATOM   810  C  CB  . CYS A 1 109 ? 13.966  0.539   -20.407 1.000 14.140 0 109 CYS A CB  1 ? 
ATOM   811  S  SG  . CYS A 1 109 ? 15.220  1.440   -19.509 1.000 13.767 0 109 CYS A SG  1 ? 
ATOM   812  N  N   . ALA A 1 110 ? 11.103  -0.746  -20.455 1.000 13.871 0 110 ALA A N   1 ? 
ATOM   813  C  CA  . ALA A 1 110 ? 10.012  -1.247  -21.253 1.000 15.053 0 110 ALA A CA  1 ? 
ATOM   814  C  C   . ALA A 1 110 ? 10.055  -0.593  -22.632 1.000 15.572 0 110 ALA A C   1 ? 
ATOM   815  O  O   . ALA A 1 110 ? 10.650  0.479   -22.828 1.000 22.116 0 110 ALA A O   1 ? 
ATOM   816  C  CB  . ALA A 1 110 ? 8.710   -0.981  -20.571 1.000 15.240 0 110 ALA A CB  1 ? 
ATOM   817  N  N   . SER A 1 111 ? 9.420   -1.268  -23.562 1.000 14.209 0 111 SER A N   1 ? 
ATOM   818  C  CA  . SER A 1 111 ? 9.364   -0.891  -24.960 1.000 15.555 0 111 SER A CA  1 ? 
ATOM   819  C  C   . SER A 1 111 ? 7.939   -0.447  -25.345 1.000 13.226 0 111 SER A C   1 ? 
ATOM   820  O  O   . SER A 1 111 ? 6.907   -0.949  -24.864 1.000 13.251 0 111 SER A O   1 ? 
ATOM   821  C  CB  . SER A 1 111 ? 9.837   -2.124  -25.813 1.000 16.888 0 111 SER A CB  1 ? 
ATOM   822  O  OG  . SER A 1 111 ? 11.138  -2.566  -25.427 1.000 25.500 0 111 SER A OG  1 ? 
ATOM   823  N  N   . ALA A 1 112 ? 7.892   0.364   -26.404 1.000 13.635 0 112 ALA A N   1 ? 
ATOM   824  C  CA  . ALA A 1 112 ? 6.649   0.681   -27.098 1.000 14.320 0 112 ALA A CA  1 ? 
ATOM   825  C  C   . ALA A 1 112 ? 5.862   -0.599  -27.416 1.000 14.125 0 112 ALA A C   1 ? 
ATOM   826  O  O   . ALA A 1 112 ? 6.429   -1.625  -27.841 1.000 16.014 0 112 ALA A O   1 ? 
ATOM   827  C  CB  . ALA A 1 112 ? 6.934   1.455   -28.375 1.000 14.876 0 112 ALA A CB  1 ? 
ATOM   828  N  N   . GLY A 1 113 ? 4.552   -0.506  -27.141 1.000 13.888 0 113 GLY A N   1 ? 
ATOM   829  C  CA  . GLY A 1 113 ? 3.593   -1.564  -27.399 1.000 15.558 0 113 GLY A CA  1 ? 
ATOM   830  C  C   . GLY A 1 113 ? 3.299   -2.424  -26.172 1.000 16.275 0 113 GLY A C   1 ? 
ATOM   831  O  O   . GLY A 1 113 ? 2.277   -3.116  -26.153 1.000 18.182 0 113 GLY A O   1 ? 
ATOM   832  N  N   . THR A 1 114 ? 4.152   -2.370  -25.138 1.000 16.840 0 114 THR A N   1 ? 
ATOM   833  C  CA  . THR A 1 114 ? 3.849   -3.050  -23.876 1.000 15.916 0 114 THR A CA  1 ? 
ATOM   834  C  C   . THR A 1 114 ? 2.610   -2.406  -23.232 1.000 15.747 0 114 THR A C   1 ? 
ATOM   835  O  O   . THR A 1 114 ? 2.555   -1.195  -23.094 1.000 15.675 0 114 THR A O   1 ? 
ATOM   836  C  CB  . THR A 1 114 ? 5.072   -2.994  -22.949 1.000 17.846 0 114 THR A CB  1 ? 
ATOM   837  O  OG1 . THR A 1 114 ? 6.148   -3.608  -23.660 1.000 21.109 0 114 THR A OG1 1 ? 
ATOM   838  C  CG2 . THR A 1 114 ? 4.923   -3.751  -21.636 1.000 15.974 0 114 THR A CG2 1 ? 
ATOM   839  N  N   . GLN A 1 115 ? 1.678   -3.241  -22.775 1.000 14.262 0 115 GLN A N   1 ? 
ATOM   840  C  CA  . GLN A 1 115 ? 0.522   -2.834  -22.003 1.000 17.123 0 115 GLN A CA  1 ? 
ATOM   841  C  C   . GLN A 1 115 ? 0.927   -2.619  -20.535 1.000 15.360 0 115 GLN A C   1 ? 
ATOM   842  O  O   . GLN A 1 115 ? 1.745   -3.343  -19.926 1.000 14.726 0 115 GLN A O   1 ? 
ATOM   843  C  CB  . GLN A 1 115 ? -0.578  -3.883  -22.134 1.000 19.508 0 115 GLN A CB  1 ? 
ATOM   844  C  CG  . GLN A 1 115 ? -1.407  -3.827  -23.446 1.000 27.877 0 115 GLN A CG  1 ? 
ATOM   845  C  CD  . GLN A 1 115 ? -2.390  -2.689  -23.688 1.000 32.894 0 115 GLN A CD  1 ? 
ATOM   846  O  OE1 . GLN A 1 115 ? -3.132  -2.244  -22.811 1.000 41.388 0 115 GLN A OE1 1 ? 
ATOM   847  N  NE2 . GLN A 1 115 ? -2.461  -2.231  -24.928 1.000 31.075 0 115 GLN A NE2 1 ? 
ATOM   848  N  N   . CYS A 1 116 ? 0.311   -1.596  -19.933 1.000 10.360 0 116 CYS A N   1 ? 
ATOM   849  C  CA  . CYS A 1 116 ? 0.626   -1.260  -18.558 1.000 9.507  0 116 CYS A CA  1 ? 
ATOM   850  C  C   . CYS A 1 116 ? -0.657  -0.848  -17.843 1.000 7.928  0 116 CYS A C   1 ? 
ATOM   851  O  O   . CYS A 1 116 ? -1.658  -0.500  -18.484 1.000 9.512  0 116 CYS A O   1 ? 
ATOM   852  C  CB  . CYS A 1 116 ? 1.571   -0.080  -18.509 1.000 8.854  0 116 CYS A CB  1 ? 
ATOM   853  S  SG  . CYS A 1 116 ? 3.123   -0.283  -19.466 1.000 11.504 0 116 CYS A SG  1 ? 
ATOM   854  N  N   . LEU A 1 117 ? -0.595  -0.854  -16.505 1.000 6.603  0 117 LEU A N   1 ? 
ATOM   855  C  CA  . LEU A 1 117 ? -1.716  -0.475  -15.651 1.000 6.124  0 117 LEU A CA  1 ? 
ATOM   856  C  C   . LEU A 1 117 ? -1.372  0.811   -14.916 1.000 5.659  0 117 LEU A C   1 ? 
ATOM   857  O  O   . LEU A 1 117 ? -0.318  0.888   -14.275 1.000 5.908  0 117 LEU A O   1 ? 
ATOM   858  C  CB  . LEU A 1 117 ? -1.938  -1.571  -14.613 1.000 6.130  0 117 LEU A CB  1 ? 
ATOM   859  C  CG  . LEU A 1 117 ? -3.111  -1.308  -13.676 1.000 6.621  0 117 LEU A CG  1 ? 
ATOM   860  C  CD1 . LEU A 1 117 ? -4.461  -1.358  -14.396 1.000 7.043  0 117 LEU A CD1 1 ? 
ATOM   861  C  CD2 . LEU A 1 117 ? -3.104  -2.290  -12.526 1.000 6.701  0 117 LEU A CD2 1 ? 
ATOM   862  N  N   . ILE A 1 118 ? -2.209  1.840   -15.125 1.000 4.763  0 118 ILE A N   1 ? 
ATOM   863  C  CA  . ILE A 1 118 ? -2.035  3.196   -14.605 1.000 5.313  0 118 ILE A CA  1 ? 
ATOM   864  C  C   . ILE A 1 118 ? -3.174  3.381   -13.640 1.000 5.443  0 118 ILE A C   1 ? 
ATOM   865  O  O   . ILE A 1 118 ? -4.275  2.951   -13.918 1.000 6.457  0 118 ILE A O   1 ? 
ATOM   866  C  CB  . ILE A 1 118 ? -2.081  4.242   -15.727 1.000 5.801  0 118 ILE A CB  1 ? 
ATOM   867  C  CG1 . ILE A 1 118 ? -1.065  3.829   -16.809 1.000 6.168  0 118 ILE A CG1 1 ? 
ATOM   868  C  CG2 . ILE A 1 118 ? -1.776  5.619   -15.177 1.000 6.188  0 118 ILE A CG2 1 ? 
ATOM   869  C  CD1 . ILE A 1 118 ? -0.991  4.809   -17.998 1.000 7.013  0 118 ILE A CD1 1 ? 
ATOM   870  N  N   . SER A 1 119 ? -2.937  3.942   -12.455 1.000 4.975  0 119 SER A N   1 ? 
ATOM   871  C  CA  . SER A 1 119 ? -3.996  3.972   -11.444 1.000 4.797  0 119 SER A CA  1 ? 
ATOM   872  C  C   . SER A 1 119 ? -3.920  5.273   -10.665 1.000 4.935  0 119 SER A C   1 ? 
ATOM   873  O  O   . SER A 1 119 ? -2.868  5.873   -10.537 1.000 5.006  0 119 SER A O   1 ? 
ATOM   874  C  CB  . SER A 1 119 ? -3.948  2.731   -10.557 1.000 4.751  0 119 SER A CB  1 ? 
ATOM   875  O  OG  . SER A 1 119 ? -2.607  2.475   -10.104 1.000 5.610  0 119 SER A OG  1 ? 
ATOM   876  N  N   . GLY A 1 120 ? -5.069  5.694   -10.095 1.000 4.750  0 120 GLY A N   1 ? 
ATOM   877  C  CA  . GLY A 1 120 ? -5.062  6.831   -9.209  1.000 4.993  0 120 GLY A CA  1 ? 
ATOM   878  C  C   . GLY A 1 120 ? -6.458  7.352   -8.908  1.000 5.487  0 120 GLY A C   1 ? 
ATOM   879  O  O   . GLY A 1 120 ? -7.450  6.838   -9.384  1.000 5.501  0 120 GLY A O   1 ? 
ATOM   880  N  N   . TRP A 1 121 ? -6.483  8.384   -8.048  1.000 4.958  0 121 TRP A N   1 ? 
ATOM   881  C  CA  . TRP A 1 121 ? -7.688  9.063   -7.553  1.000 5.219  0 121 TRP A CA  1 ? 
ATOM   882  C  C   . TRP A 1 121 ? -7.861  10.420  -8.215  1.000 5.810  0 121 TRP A C   1 ? 
ATOM   883  O  O   . TRP A 1 121 ? -8.550  11.284  -7.659  1.000 6.290  0 121 TRP A O   1 ? 
ATOM   884  C  CB  . TRP A 1 121 ? -7.641  9.209   -6.028  1.000 5.042  0 121 TRP A CB  1 ? 
ATOM   885  C  CG  . TRP A 1 121 ? -7.776  7.910   -5.286  1.000 4.680  0 121 TRP A CG  1 ? 
ATOM   886  C  CD1 . TRP A 1 121 ? -8.954  7.320   -4.912  1.000 4.909  0 121 TRP A CD1 1 ? 
ATOM   887  C  CD2 . TRP A 1 121 ? -6.746  7.069   -4.755  1.000 4.710  0 121 TRP A CD2 1 ? 
ATOM   888  N  NE1 . TRP A 1 121 ? -8.699  6.179   -4.186  1.000 4.995  0 121 TRP A NE1 1 ? 
ATOM   889  C  CE2 . TRP A 1 121 ? -7.365  6.012   -4.045  1.000 4.726  0 121 TRP A CE2 1 ? 
ATOM   890  C  CE3 . TRP A 1 121 ? -5.354  7.138   -4.682  1.000 4.520  0 121 TRP A CE3 1 ? 
ATOM   891  C  CZ2 . TRP A 1 121 ? -6.670  5.029   -3.358  1.000 4.820  0 121 TRP A CZ2 1 ? 
ATOM   892  C  CZ3 . TRP A 1 121 ? -4.668  6.187   -4.003  1.000 4.512  0 121 TRP A CZ3 1 ? 
ATOM   893  C  CH2 . TRP A 1 121 ? -5.302  5.124   -3.353  1.000 4.811  0 121 TRP A CH2 1 ? 
ATOM   894  N  N   . GLY A 1 122 ? -7.258  10.603  -9.372  1.000 5.399  0 122 GLY A N   1 ? 
ATOM   895  C  CA  . GLY A 1 122 ? -7.320  11.870  -10.092 1.000 5.752  0 122 GLY A CA  1 ? 
ATOM   896  C  C   . GLY A 1 122 ? -8.650  12.077  -10.818 1.000 5.804  0 122 GLY A C   1 ? 
ATOM   897  O  O   . GLY A 1 122 ? -9.546  11.217  -10.819 1.000 6.632  0 122 GLY A O   1 ? 
ATOM   898  N  N   . ASN A 1 123 ? -8.756  13.254  -11.438 1.000 6.934  0 123 ASN A N   1 ? 
ATOM   899  C  CA  . ASN A 1 123 ? -9.963  13.662  -12.156 1.000 8.079  0 123 ASN A CA  1 ? 
ATOM   900  C  C   . ASN A 1 123 ? -10.362 12.578  -13.167 1.000 7.406  0 123 ASN A C   1 ? 
ATOM   901  O  O   . ASN A 1 123 ? -9.526  12.041  -13.897 1.000 6.780  0 123 ASN A O   1 ? 
ATOM   902  C  CB  . ASN A 1 123 ? -9.749  15.063  -12.745 1.000 9.165  0 123 ASN A CB  1 ? 
ATOM   903  C  CG  . ASN A 1 123 ? -10.954 15.769  -13.338 1.000 10.536 0 123 ASN A CG  1 ? 
ATOM   904  O  OD1 . ASN A 1 123 ? -12.066 15.272  -13.341 1.000 11.056 0 123 ASN A OD1 1 ? 
ATOM   905  N  ND2 . ASN A 1 123 ? -10.695 16.933  -13.931 1.000 15.740 0 123 ASN A ND2 1 ? 
ATOM   906  N  N   . THR A 1 124 ? -11.677 12.383  -13.294 1.000 8.198  0 124 THR A N   1 ? 
ATOM   907  C  CA  . THR A 1 124 ? -12.241 11.389  -14.222 1.000 8.890  0 124 THR A CA  1 ? 
ATOM   908  C  C   . THR A 1 124 ? -12.916 12.057  -15.433 1.000 10.094 0 124 THR A C   1 ? 
ATOM   909  O  O   . THR A 1 124 ? -13.331 11.350  -16.338 1.000 9.518  0 124 THR A O   1 ? 
ATOM   910  C  CB  . THR A 1 124 ? -13.246 10.446  -13.547 1.000 9.457  0 124 THR A CB  1 ? 
ATOM   911  O  OG1 . THR A 1 124 ? -14.377 11.217  -13.102 1.000 10.725 0 124 THR A OG1 1 ? 
ATOM   912  C  CG2 . THR A 1 124 ? -12.665 9.606   -12.418 1.000 9.191  0 124 THR A CG2 1 ? 
ATOM   913  N  N   . LYS A 1 125 ? -12.903 13.380  -15.513 1.000 11.813 0 125 LYS A N   1 ? 
ATOM   914  C  CA  . LYS A 1 125 ? -13.430 14.088  -16.685 1.000 15.519 0 125 LYS A CA  1 ? 
ATOM   915  C  C   . LYS A 1 125 ? -12.346 14.825  -17.473 1.000 16.581 0 125 LYS A C   1 ? 
ATOM   916  O  O   . LYS A 1 125 ? -11.398 15.372  -16.917 1.000 17.979 0 125 LYS A O   1 ? 
ATOM   917  C  CB  . LYS A 1 125 ? -14.441 15.128  -16.211 1.000 20.231 0 125 LYS A CB  1 ? 
ATOM   918  C  CG  . LYS A 1 125 ? -15.608 14.589  -15.409 1.000 25.017 0 125 LYS A CG  1 ? 
ATOM   919  C  CD  . LYS A 1 125 ? -16.280 13.361  -15.972 1.000 27.258 0 125 LYS A CD  1 ? 
ATOM   920  C  CE  . LYS A 1 125 ? -17.794 13.489  -16.017 1.000 34.300 0 125 LYS A CE  1 ? 
ATOM   921  N  NZ  . LYS A 1 125 ? -18.347 14.251  -14.875 1.000 35.647 0 125 LYS A NZ  1 ? 
ATOM   922  N  N   . SER A 1 126 ? -12.500 14.929  -18.800 1.000 19.589 0 126 SER A N   1 ? 
ATOM   923  C  CA  . SER A 1 126 ? -11.555 15.649  -19.658 1.000 23.499 0 126 SER A CA  1 ? 
ATOM   924  C  C   . SER A 1 126 ? -11.987 17.093  -19.958 1.000 26.922 0 126 SER A C   1 ? 
ATOM   925  O  O   . SER A 1 126 ? -11.143 17.931  -20.331 1.000 25.624 0 126 SER A O   1 ? 
ATOM   926  C  CB  . SER A 1 126 ? -11.371 14.870  -20.930 1.000 23.390 0 126 SER A CB  1 ? 
ATOM   927  O  OG  . SER A 1 126 ? -12.634 14.586  -21.543 1.000 25.161 0 126 SER A OG  1 ? 
ATOM   928  N  N   . SER A 1 127 ? -13.302 17.374  -19.848 1.000 26.825 0 127 SER A N   1 ? 
ATOM   929  C  CA  . SER A 1 127 ? -13.840 18.724  -20.017 1.000 31.572 0 127 SER A CA  1 ? 
ATOM   930  C  C   . SER A 1 127 ? -14.875 18.997  -18.926 1.000 32.886 0 127 SER A C   1 ? 
ATOM   931  O  O   . SER A 1 127 ? -15.961 19.552  -19.146 1.000 40.571 0 127 SER A O   1 ? 
ATOM   932  C  CB  . SER A 1 127 ? -14.415 18.930  -21.399 1.000 34.618 0 127 SER A CB  1 ? 
ATOM   933  O  OG  . SER A 1 127 ? -15.413 17.953  -21.665 1.000 43.253 0 127 SER A OG  1 ? 
ATOM   934  N  N   . GLY A 1 128 ? -14.470 18.626  -17.725 1.000 27.740 0 128 GLY A N   1 ? 
ATOM   935  C  CA  . GLY A 1 128 ? -15.279 18.655  -16.523 1.000 26.794 0 128 GLY A CA  1 ? 
ATOM   936  C  C   . GLY A 1 128 ? -14.332 18.489  -15.337 1.000 25.786 0 128 GLY A C   1 ? 
ATOM   937  O  O   . GLY A 1 128 ? -13.092 18.472  -15.535 1.000 24.713 0 128 GLY A O   1 ? 
ATOM   938  N  N   . THR A 1 129 ? -14.925 18.410  -14.137 1.000 22.772 0 129 THR A N   1 ? 
ATOM   939  C  CA  . THR A 1 129 ? -14.205 18.041  -12.926 1.000 22.070 0 129 THR A CA  1 ? 
ATOM   940  C  C   . THR A 1 129 ? -15.071 17.107  -12.088 1.000 18.794 0 129 THR A C   1 ? 
ATOM   941  O  O   . THR A 1 129 ? -16.172 17.455  -11.684 1.000 19.287 0 129 THR A O   1 ? 
ATOM   942  C  CB  . THR A 1 129 ? -13.821 19.282  -12.112 1.000 28.111 0 129 THR A CB  1 ? 
ATOM   943  O  OG1 . THR A 1 129 ? -12.937 20.047  -12.933 1.000 33.374 0 129 THR A OG1 1 ? 
ATOM   944  C  CG2 . THR A 1 129 ? -13.104 18.969  -10.824 1.000 27.611 0 129 THR A CG2 1 ? 
ATOM   945  N  N   . SER A 1 130 ? -14.546 15.907  -11.817 1.000 14.943 0 130 SER A N   1 ? 
ATOM   946  C  CA  . SER A 1 130 ? -15.166 14.957  -10.916 1.000 13.851 0 130 SER A CA  1 ? 
ATOM   947  C  C   . SER A 1 130 ? -14.072 14.053  -10.352 1.000 13.165 0 130 SER A C   1 ? 
ATOM   948  O  O   . SER A 1 130 ? -13.382 13.358  -11.106 1.000 11.920 0 130 SER A O   1 ? 
ATOM   949  C  CB  . SER A 1 130 ? -16.211 14.136  -11.560 1.000 15.556 0 130 SER A CB  1 ? 
ATOM   950  O  OG  . SER A 1 130 ? -16.823 13.263  -10.593 1.000 16.423 0 130 SER A OG  1 ? 
ATOM   951  N  N   . TYR A 1 131 ? -13.916 14.095  -9.017  1.000 10.634 0 131 TYR A N   1 ? 
ATOM   952  C  CA  . TYR A 1 131 ? -12.889 13.347  -8.326  1.000 10.700 0 131 TYR A CA  1 ? 
ATOM   953  C  C   . TYR A 1 131 ? -13.557 12.159  -7.657  1.000 10.063 0 131 TYR A C   1 ? 
ATOM   954  O  O   . TYR A 1 131 ? -14.526 12.315  -6.886  1.000 10.589 0 131 TYR A O   1 ? 
ATOM   955  C  CB  . TYR A 1 131 ? -12.135 14.240  -7.334  1.000 10.519 0 131 TYR A CB  1 ? 
ATOM   956  C  CG  . TYR A 1 131 ? -11.187 15.168  -8.031  1.000 11.332 0 131 TYR A CG  1 ? 
ATOM   957  C  CD1 . TYR A 1 131 ? -11.623 16.366  -8.557  1.000 12.467 0 131 TYR A CD1 1 ? 
ATOM   958  C  CD2 . TYR A 1 131 ? -9.880  14.793  -8.248  1.000 12.253 0 131 TYR A CD2 1 ? 
ATOM   959  C  CE1 . TYR A 1 131 ? -10.756 17.215  -9.205  1.000 13.287 0 131 TYR A CE1 1 ? 
ATOM   960  C  CE2 . TYR A 1 131 ? -9.014  15.605  -8.932  1.000 13.173 0 131 TYR A CE2 1 ? 
ATOM   961  C  CZ  . TYR A 1 131 ? -9.451  16.833  -9.408  1.000 13.374 0 131 TYR A CZ  1 ? 
ATOM   962  O  OH  . TYR A 1 131 ? -8.569  17.652  -10.105 1.000 17.808 0 131 TYR A OH  1 ? 
ATOM   963  N  N   . PRO A 1 132 ? -13.086 10.929  -7.985  1.000 8.982  0 132 PRO A N   1 ? 
ATOM   964  C  CA  . PRO A 1 132 ? -13.627 9.706   -7.426  1.000 8.129  0 132 PRO A CA  1 ? 
ATOM   965  C  C   . PRO A 1 132 ? -13.145 9.516   -5.985  1.000 8.544  0 132 PRO A C   1 ? 
ATOM   966  O  O   . PRO A 1 132 ? -12.104 10.001  -5.563  1.000 10.543 0 132 PRO A O   1 ? 
ATOM   967  C  CB  . PRO A 1 132 ? -13.043 8.626   -8.353  1.000 8.249  0 132 PRO A CB  1 ? 
ATOM   968  C  CG  . PRO A 1 132 ? -11.653 9.164   -8.632  1.000 8.071  0 132 PRO A CG  1 ? 
ATOM   969  C  CD  . PRO A 1 132 ? -11.877 10.662  -8.798  1.000 8.182  0 132 PRO A CD  1 ? 
ATOM   970  N  N   . ASP A 1 133 ? -13.864 8.729   -5.265  1.000 8.997  0 133 ASP A N   1 ? 
ATOM   971  C  CA  . ASP A 1 133 ? -13.463 8.341   -3.933  1.000 9.693  0 133 ASP A CA  1 ? 
ATOM   972  C  C   . ASP A 1 133 ? -12.690 7.018   -3.958  1.000 8.543  0 133 ASP A C   1 ? 
ATOM   973  O  O   . ASP A 1 133 ? -11.826 6.808   -3.103  1.000 7.398  0 133 ASP A O   1 ? 
ATOM   974  C  CB  . ASP A 1 133 ? -14.701 8.236   -3.044  1.000 11.688 0 133 ASP A CB  1 ? 
ATOM   975  C  CG  . ASP A 1 133 ? -15.465 9.539   -2.864  1.000 15.423 0 133 ASP A CG  1 ? 
ATOM   976  O  OD1 . ASP A 1 133 ? -14.847 10.536  -2.490  1.000 15.873 0 133 ASP A OD1 1 ? 
ATOM   977  O  OD2 . ASP A 1 133 ? -16.720 9.531   -3.165  1.000 20.633 0 133 ASP A OD2 1 ? 
ATOM   978  N  N   . VAL A 1 134 ? -13.016 6.105   -4.890  1.000 7.688  0 134 VAL A N   1 ? 
ATOM   979  C  CA  . VAL A 1 134 ? -12.360 4.812   -5.002  1.000 6.988  0 134 VAL A CA  1 ? 
ATOM   980  C  C   . VAL A 1 134 ? -11.339 4.830   -6.139  1.000 6.376  0 134 VAL A C   1 ? 
ATOM   981  O  O   . VAL A 1 134 ? -11.356 5.702   -6.991  1.000 6.474  0 134 VAL A O   1 ? 
ATOM   982  C  CB  . VAL A 1 134 ? -13.343 3.670   -5.195  1.000 7.456  0 134 VAL A CB  1 ? 
ATOM   983  C  CG1 . VAL A 1 134 ? -14.295 3.584   -4.011  1.000 8.600  0 134 VAL A CG1 1 ? 
ATOM   984  C  CG2 . VAL A 1 134 ? -14.050 3.798   -6.528  1.000 8.008  0 134 VAL A CG2 1 ? 
ATOM   985  N  N   . LEU A 1 135 ? -10.375 3.926   -6.044  1.000 5.458  0 135 LEU A N   1 ? 
ATOM   986  C  CA  . LEU A 1 135 ? -9.248  3.913   -6.976  1.000 5.435  0 135 LEU A CA  1 ? 
ATOM   987  C  C   . LEU A 1 135 ? -9.701  3.524   -8.377  1.000 5.660  0 135 LEU A C   1 ? 
ATOM   988  O  O   . LEU A 1 135 ? -10.415 2.527   -8.540  1.000 5.774  0 135 LEU A O   1 ? 
ATOM   989  C  CB  . LEU A 1 135 ? -8.188  2.949   -6.452  1.000 5.397  0 135 LEU A CB  1 ? 
ATOM   990  C  CG  . LEU A 1 135 ? -6.849  2.937   -7.182  1.000 5.402  0 135 LEU A CG  1 ? 
ATOM   991  C  CD1 . LEU A 1 135 ? -6.121  4.267   -7.041  1.000 5.532  0 135 LEU A CD1 1 ? 
ATOM   992  C  CD2 . LEU A 1 135 ? -5.948  1.773   -6.716  1.000 5.968  0 135 LEU A CD2 1 ? 
ATOM   993  N  N   . LYS A 1 136 ? -9.223  4.277   -9.357  1.000 5.618  0 136 LYS A N   1 ? 
ATOM   994  C  CA  . LYS A 1 136 ? -9.476  4.045   -10.785 1.000 5.681  0 136 LYS A CA  1 ? 
ATOM   995  C  C   . LYS A 1 136 ? -8.221  3.543   -11.496 1.000 5.743  0 136 LYS A C   1 ? 
ATOM   996  O  O   . LYS A 1 136 ? -7.113  3.830   -11.069 1.000 5.053  0 136 LYS A O   1 ? 
ATOM   997  C  CB  . LYS A 1 136 ? -10.016 5.287   -11.488 1.000 7.003  0 136 LYS A CB  1 ? 
ATOM   998  C  CG  . LYS A 1 136 ? -11.327 5.851   -10.951 1.000 8.406  0 136 LYS A CG  1 ? 
ATOM   999  C  CD  . LYS A 1 136 ? -12.504 4.940   -11.289 1.000 11.620 0 136 LYS A CD  1 ? 
ATOM   1000 C  CE  . LYS A 1 136 ? -13.825 5.431   -10.765 1.000 15.600 0 136 LYS A CE  1 ? 
ATOM   1001 N  NZ  . LYS A 1 136 ? -14.862 4.605   -11.435 1.000 16.123 0 136 LYS A NZ  1 ? 
ATOM   1002 N  N   . CYS A 1 137 ? -8.479  2.763   -12.543 1.000 5.281  0 137 CYS A N   1 ? 
ATOM   1003 C  CA  . CYS A 1 137 ? -7.454  2.027   -13.259 1.000 5.006  0 137 CYS A CA  1 ? 
ATOM   1004 C  C   . CYS A 1 137 ? -7.642  2.266   -14.764 1.000 5.330  0 137 CYS A C   1 ? 
ATOM   1005 O  O   . CYS A 1 137 ? -8.753  2.441   -15.265 1.000 5.843  0 137 CYS A O   1 ? 
ATOM   1006 C  CB  . CYS A 1 137 ? -7.539  0.529   -13.019 1.000 5.724  0 137 CYS A CB  1 ? 
ATOM   1007 S  SG  . CYS A 1 137 ? -6.720  -0.069  -11.510 1.000 5.766  0 137 CYS A SG  1 ? 
ATOM   1008 N  N   . LEU A 1 138 ? -6.542  2.182   -15.500 1.000 5.649  0 138 LEU A N   1 ? 
ATOM   1009 C  CA  . LEU A 1 138 ? -6.541  2.258   -16.961 1.000 6.005  0 138 LEU A CA  1 ? 
ATOM   1010 C  C   . LEU A 1 138 ? -5.442  1.339   -17.454 1.000 5.985  0 138 LEU A C   1 ? 
ATOM   1011 O  O   . LEU A 1 138 ? -4.284  1.433   -17.050 1.000 6.435  0 138 LEU A O   1 ? 
ATOM   1012 C  CB  . LEU A 1 138 ? -6.259  3.692   -17.427 1.000 6.498  0 138 LEU A CB  1 ? 
ATOM   1013 C  CG  . LEU A 1 138 ? -6.143  3.920   -18.937 1.000 7.096  0 138 LEU A CG  1 ? 
ATOM   1014 C  CD1 . LEU A 1 138 ? -7.482  3.645   -19.614 1.000 7.410  0 138 LEU A CD1 1 ? 
ATOM   1015 C  CD2 . LEU A 1 138 ? -5.642  5.332   -19.230 1.000 7.477  0 138 LEU A CD2 1 ? 
ATOM   1016 N  N   . LYS A 1 139 ? -5.803  0.480   -18.417 1.000 5.815  0 139 LYS A N   1 ? 
ATOM   1017 C  CA  . LYS A 1 139 ? -4.810  -0.277  -19.167 1.000 6.284  0 139 LYS A CA  1 ? 
ATOM   1018 C  C   . LYS A 1 139 ? -4.450  0.515   -20.425 1.000 6.485  0 139 LYS A C   1 ? 
ATOM   1019 O  O   . LYS A 1 139 ? -5.337  0.945   -21.173 1.000 8.286  0 139 LYS A O   1 ? 
ATOM   1020 C  CB  . LYS A 1 139 ? -5.311  -1.686  -19.497 1.000 6.420  0 139 LYS A CB  1 ? 
ATOM   1021 C  CG  . LYS A 1 139 ? -5.436  -2.554  -18.260 1.000 6.880  0 139 LYS A CG  1 ? 
ATOM   1022 C  CD  . LYS A 1 139 ? -5.907  -3.956  -18.557 1.000 7.149  0 139 LYS A CD  1 ? 
ATOM   1023 C  CE  . LYS A 1 139 ? -6.060  -4.789  -17.291 1.000 8.028  0 139 LYS A CE  1 ? 
ATOM   1024 N  NZ  . LYS A 1 139 ? -6.324  -6.213  -17.678 1.000 8.083  0 139 LYS A NZ  1 ? 
ATOM   1025 N  N   . ALA A 1 140 ? -3.150  0.699   -20.628 1.000 7.490  0 140 ALA A N   1 ? 
ATOM   1026 C  CA  . ALA A 1 140 ? -2.676  1.530   -21.725 1.000 7.258  0 140 ALA A CA  1 ? 
ATOM   1027 C  C   . ALA A 1 140 ? -1.312  1.069   -22.201 1.000 7.853  0 140 ALA A C   1 ? 
ATOM   1028 O  O   . ALA A 1 140 ? -0.452  0.677   -21.420 1.000 7.731  0 140 ALA A O   1 ? 
ATOM   1029 C  CB  . ALA A 1 140 ? -2.586  2.953   -21.227 1.000 8.128  0 140 ALA A CB  1 ? 
ATOM   1030 N  N   . PRO A 1 141 ? -1.052  1.180   -23.507 1.000 8.023  0 141 PRO A N   1 ? 
ATOM   1031 C  CA  . PRO A 1 141 ? 0.242   0.848   -24.040 1.000 8.193  0 141 PRO A CA  1 ? 
ATOM   1032 C  C   . PRO A 1 141 ? 1.241   1.996   -24.006 1.000 7.424  0 141 PRO A C   1 ? 
ATOM   1033 O  O   . PRO A 1 141 ? 0.870   3.150   -24.132 1.000 7.463  0 141 PRO A O   1 ? 
ATOM   1034 C  CB  . PRO A 1 141 ? -0.119  0.501   -25.495 1.000 8.504  0 141 PRO A CB  1 ? 
ATOM   1035 C  CG  . PRO A 1 141 ? -1.244  1.435   -25.814 1.000 8.861  0 141 PRO A CG  1 ? 
ATOM   1036 C  CD  . PRO A 1 141 ? -2.025  1.601   -24.528 1.000 8.242  0 141 PRO A CD  1 ? 
ATOM   1037 N  N   . ILE A 1 142 ? 2.512   1.629   -23.935 1.000 7.942  0 142 ILE A N   1 ? 
ATOM   1038 C  CA  . ILE A 1 142 ? 3.578   2.567   -24.156 1.000 8.357  0 142 ILE A CA  1 ? 
ATOM   1039 C  C   . ILE A 1 142 ? 3.604   2.945   -25.630 1.000 8.637  0 142 ILE A C   1 ? 
ATOM   1040 O  O   . ILE A 1 142 ? 3.452   2.074   -26.479 1.000 9.695  0 142 ILE A O   1 ? 
ATOM   1041 C  CB  . ILE A 1 142 ? 4.906   1.969   -23.663 1.000 9.442  0 142 ILE A CB  1 ? 
ATOM   1042 C  CG1 . ILE A 1 142 ? 4.831   1.641   -22.161 1.000 9.700  0 142 ILE A CG1 1 ? 
ATOM   1043 C  CG2 . ILE A 1 142 ? 6.058   2.872   -23.994 1.000 10.528 0 142 ILE A CG2 1 ? 
ATOM   1044 C  CD1 . ILE A 1 142 ? 6.082   1.013   -21.586 1.000 12.000 0 142 ILE A CD1 1 ? 
ATOM   1045 N  N   . LEU A 1 143 ? 3.776   4.230   -25.912 1.000 8.229  0 143 LEU A N   1 ? 
ATOM   1046 C  CA  . LEU A 1 143 ? 3.880   4.715   -27.286 1.000 8.738  0 143 LEU A CA  1 ? 
ATOM   1047 C  C   . LEU A 1 143 ? 5.349   4.862   -27.683 1.000 8.966  0 143 LEU A C   1 ? 
ATOM   1048 O  O   . LEU A 1 143 ? 6.241   4.993   -26.835 1.000 9.824  0 143 LEU A O   1 ? 
ATOM   1049 C  CB  . LEU A 1 143 ? 3.141   6.053   -27.364 1.000 9.889  0 143 LEU A CB  1 ? 
ATOM   1050 C  CG  . LEU A 1 143 ? 1.638   5.981   -27.049 1.000 10.983 0 143 LEU A CG  1 ? 
ATOM   1051 C  CD1 . LEU A 1 143 ? 1.008   7.352   -27.019 1.000 11.583 0 143 LEU A CD1 1 ? 
ATOM   1052 C  CD2 . LEU A 1 143 ? 0.878   5.112   -28.014 1.000 14.308 0 143 LEU A CD2 1 ? 
ATOM   1053 N  N   . SER A 1 144 ? 5.586   4.831   -29.008 1.000 9.040  0 144 SER A N   1 ? 
ATOM   1054 C  CA  . SER A 1 144 ? 6.925   4.979   -29.550 1.000 9.385  0 144 SER A CA  1 ? 
ATOM   1055 C  C   . SER A 1 144 ? 7.503   6.329   -29.143 1.000 9.604  0 144 SER A C   1 ? 
ATOM   1056 O  O   . SER A 1 144 ? 6.778   7.325   -29.059 1.000 9.847  0 144 SER A O   1 ? 
ATOM   1057 C  CB  . SER A 1 144 ? 6.950   4.876   -31.072 1.000 9.734  0 144 SER A CB  1 ? 
ATOM   1058 O  OG  . SER A 1 144 ? 6.131   5.848   -31.695 1.000 10.469 0 144 SER A OG  1 ? 
ATOM   1059 N  N   . ASP A 1 145 ? 8.827   6.385   -29.020 1.000 11.977 0 145 ASP A N   1 ? 
ATOM   1060 C  CA  . ASP A 1 145 ? 9.562   7.616   -28.808 1.000 13.277 0 145 ASP A CA  1 ? 
ATOM   1061 C  C   . ASP A 1 145 ? 9.197   8.607   -29.899 1.000 12.656 0 145 ASP A C   1 ? 
ATOM   1062 O  O   . ASP A 1 145 ? 8.950   9.775   -29.601 1.000 10.139 0 145 ASP A O   1 ? 
ATOM   1063 C  CB  . ASP A 1 145 ? 11.078  7.373   -28.805 1.000 16.056 0 145 ASP A CB  1 ? 
ATOM   1064 C  CG  . ASP A 1 145 ? 11.885  8.593   -28.387 1.000 23.089 0 145 ASP A CG  1 ? 
ATOM   1065 O  OD1 . ASP A 1 145 ? 11.490  9.274   -27.376 1.000 24.349 0 145 ASP A OD1 1 ? 
ATOM   1066 O  OD2 . ASP A 1 145 ? 12.944  8.851   -29.049 1.000 26.516 0 145 ASP A OD2 1 ? 
ATOM   1067 N  N   . SER A 1 146 ? 9.126   8.165   -31.161 1.000 12.794 0 146 SER A N   1 ? 
ATOM   1068 C  CA  . SER A 1 146 ? 8.856   9.112   -32.229 1.000 14.263 0 146 SER A CA  1 ? 
ATOM   1069 C  C   . SER A 1 146 ? 7.433   9.680   -32.147 1.000 12.855 0 146 SER A C   1 ? 
ATOM   1070 O  O   . SER A 1 146 ? 7.247   10.906  -32.365 1.000 11.827 0 146 SER A O   1 ? 
ATOM   1071 C  CB  . SER A 1 146 ? 9.132   8.549   -33.607 1.000 16.662 0 146 SER A CB  1 ? 
ATOM   1072 O  OG  . SER A 1 146 ? 8.416   7.362   -33.815 1.000 20.920 0 146 SER A OG  1 ? 
ATOM   1073 N  N   . SER A 1 147 ? 6.409   8.872   -31.775 1.000 10.882 0 147 SER A N   1 ? 
ATOM   1074 C  CA  . SER A 1 147 ? 5.057   9.422   -31.689 1.000 10.968 0 147 SER A CA  1 ? 
ATOM   1075 C  C   . SER A 1 147 ? 4.972   10.364  -30.491 1.000 9.860  0 147 SER A C   1 ? 
ATOM   1076 O  O   . SER A 1 147 ? 4.273   11.378  -30.548 1.000 9.736  0 147 SER A O   1 ? 
ATOM   1077 C  CB  . SER A 1 147 ? 3.943   8.412   -31.685 1.000 14.620 0 147 SER A CB  1 ? 
ATOM   1078 O  OG  . SER A 1 147 ? 3.930   7.651   -30.527 1.000 19.349 0 147 SER A OG  1 ? 
ATOM   1079 N  N   . CYS A 1 148 ? 5.731   10.044  -29.434 1.000 9.031  0 148 CYS A N   1 ? 
ATOM   1080 C  CA  . CYS A 1 148 ? 5.732   10.878  -28.244 1.000 7.778  0 148 CYS A CA  1 ? 
ATOM   1081 C  C   . CYS A 1 148 ? 6.313   12.255  -28.584 1.000 7.696  0 148 CYS A C   1 ? 
ATOM   1082 O  O   . CYS A 1 148 ? 5.757   13.287  -28.211 1.000 8.669  0 148 CYS A O   1 ? 
ATOM   1083 C  CB  . CYS A 1 148 ? 6.461   10.146  -27.120 1.000 7.809  0 148 CYS A CB  1 ? 
ATOM   1084 S  SG  . CYS A 1 148 ? 6.392   10.910  -25.488 1.000 8.377  0 148 CYS A SG  1 ? 
ATOM   1085 N  N   . LYS A 1 149 ? 7.453   12.284  -29.254 1.000 9.462  0 149 LYS A N   1 ? 
ATOM   1086 C  CA  . LYS A 1 149 ? 8.093   13.531  -29.606 1.000 10.382 0 149 LYS A CA  1 ? 
ATOM   1087 C  C   . LYS A 1 149 ? 7.283   14.321  -30.619 1.000 11.571 0 149 LYS A C   1 ? 
ATOM   1088 O  O   . LYS A 1 149 ? 7.267   15.570  -30.579 1.000 11.760 0 149 LYS A O   1 ? 
ATOM   1089 C  CB  . LYS A 1 149 ? 9.504   13.259  -30.146 1.000 10.603 0 149 LYS A CB  1 ? 
ATOM   1090 C  CG  . LYS A 1 149 ? 10.453  12.756  -29.069 1.000 12.891 0 149 LYS A CG  1 ? 
ATOM   1091 C  CD  . LYS A 1 149 ? 11.748  12.249  -29.548 1.000 15.809 0 149 LYS A CD  1 ? 
ATOM   1092 C  CE  . LYS A 1 149 ? 12.710  12.207  -28.381 1.000 19.694 0 149 LYS A CE  1 ? 
ATOM   1093 N  NZ  . LYS A 1 149 ? 13.980  11.545  -28.764 1.000 24.358 0 149 LYS A NZ  1 ? 
ATOM   1094 N  N   . SER A 1 150 ? 6.608   13.631  -31.548 1.000 10.995 0 150 SER A N   1 ? 
ATOM   1095 C  CA  . SER A 1 150 ? 5.733   14.293  -32.502 1.000 12.568 0 150 SER A CA  1 ? 
ATOM   1096 C  C   . SER A 1 150 ? 4.545   14.960  -31.815 1.000 11.267 0 150 SER A C   1 ? 
ATOM   1097 O  O   . SER A 1 150 ? 4.101   16.021  -32.244 1.000 12.837 0 150 SER A O   1 ? 
ATOM   1098 C  CB  . SER A 1 150 ? 5.228   13.317  -33.500 1.000 13.790 0 150 SER A CB  1 ? 
ATOM   1099 O  OG  . SER A 1 150 ? 6.278   12.966  -34.367 1.000 20.133 0 150 SER A OG  1 ? 
ATOM   1100 N  N   . ALA A 1 151 ? 3.986   14.322  -30.755 1.000 9.238  0 151 ALA A N   1 ? 
ATOM   1101 C  CA  . ALA A 1 151 ? 2.864   14.882  -30.005 1.000 9.676  0 151 ALA A CA  1 ? 
ATOM   1102 C  C   . ALA A 1 151 ? 3.284   16.129  -29.222 1.000 8.966  0 151 ALA A C   1 ? 
ATOM   1103 O  O   . ALA A 1 151 ? 2.463   17.032  -29.046 1.000 8.834  0 151 ALA A O   1 ? 
ATOM   1104 C  CB  . ALA A 1 151 ? 2.313   13.849  -29.041 1.000 10.683 0 151 ALA A CB  1 ? 
ATOM   1105 N  N   . TYR A 1 152 ? 4.539   16.155  -28.735 1.000 7.943  0 152 TYR A N   1 ? 
ATOM   1106 C  CA  . TYR A 1 152 ? 4.988   17.216  -27.857 1.000 8.254  0 152 TYR A CA  1 ? 
ATOM   1107 C  C   . TYR A 1 152 ? 6.364   17.706  -28.302 1.000 9.051  0 152 TYR A C   1 ? 
ATOM   1108 O  O   . TYR A 1 152 ? 7.401   17.418  -27.717 1.000 9.166  0 152 TYR A O   1 ? 
ATOM   1109 C  CB  . TYR A 1 152 ? 5.140   16.714  -26.429 1.000 7.603  0 152 TYR A CB  1 ? 
ATOM   1110 C  CG  . TYR A 1 152 ? 3.843   16.377  -25.733 1.000 6.978  0 152 TYR A CG  1 ? 
ATOM   1111 C  CD1 . TYR A 1 152 ? 2.999   17.364  -25.258 1.000 7.416  0 152 TYR A CD1 1 ? 
ATOM   1112 C  CD2 . TYR A 1 152 ? 3.469   15.058  -25.510 1.000 6.669  0 152 TYR A CD2 1 ? 
ATOM   1113 C  CE1 . TYR A 1 152 ? 1.806   17.048  -24.631 1.000 8.166  0 152 TYR A CE1 1 ? 
ATOM   1114 C  CE2 . TYR A 1 152 ? 2.262   14.729  -24.902 1.000 6.861  0 152 TYR A CE2 1 ? 
ATOM   1115 C  CZ  . TYR A 1 152 ? 1.453   15.725  -24.403 1.000 7.195  0 152 TYR A CZ  1 ? 
ATOM   1116 O  OH  . TYR A 1 152 ? 0.256   15.438  -23.774 1.000 7.961  0 152 TYR A OH  1 ? 
ATOM   1117 N  N   . PRO A 1 153 ? 6.436   18.401  -29.456 1.000 10.314 0 153 PRO A N   1 ? 
ATOM   1118 C  CA  . PRO A 1 153 ? 7.690   18.924  -30.000 1.000 11.648 0 153 PRO A CA  1 ? 
ATOM   1119 C  C   . PRO A 1 153 ? 8.535   19.713  -29.006 1.000 10.115 0 153 PRO A C   1 ? 
ATOM   1120 O  O   . PRO A 1 153 ? 8.000   20.520  -28.292 1.000 10.443 0 153 PRO A O   1 ? 
ATOM   1121 C  CB  . PRO A 1 153 ? 7.245   19.855  -31.152 1.000 12.240 0 153 PRO A CB  1 ? 
ATOM   1122 C  CG  . PRO A 1 153 ? 5.816   19.452  -31.452 1.000 11.664 0 153 PRO A CG  1 ? 
ATOM   1123 C  CD  . PRO A 1 153 ? 5.245   18.782  -30.231 1.000 11.755 0 153 PRO A CD  1 ? 
ATOM   1124 N  N   . GLY A 1 154 ? 9.814   19.325  -28.925 1.000 11.553 0 154 GLY A N   1 ? 
ATOM   1125 C  CA  . GLY A 1 154 ? 10.782  20.040  -28.118 1.000 12.508 0 154 GLY A CA  1 ? 
ATOM   1126 C  C   . GLY A 1 154 ? 10.642  19.792  -26.618 1.000 12.692 0 154 GLY A C   1 ? 
ATOM   1127 O  O   . GLY A 1 154 ? 11.308  20.501  -25.884 1.000 16.407 0 154 GLY A O   1 ? 
ATOM   1128 N  N   . GLN A 1 155 ? 9.811   18.809  -26.183 1.000 10.085 0 155 GLN A N   1 ? 
ATOM   1129 C  CA  . GLN A 1 155 ? 9.525   18.689  -24.750 1.000 8.641  0 155 GLN A CA  1 ? 
ATOM   1130 C  C   . GLN A 1 155 ? 9.880   17.333  -24.160 1.000 7.971  0 155 GLN A C   1 ? 
ATOM   1131 O  O   . GLN A 1 155 ? 9.833   17.205  -22.929 1.000 8.132  0 155 GLN A O   1 ? 
ATOM   1132 C  CB  . GLN A 1 155 ? 8.037   18.926  -24.512 1.000 9.045  0 155 GLN A CB  1 ? 
ATOM   1133 C  CG  . GLN A 1 155 ? 7.537   20.316  -24.937 1.000 10.351 0 155 GLN A CG  1 ? 
ATOM   1134 C  CD  . GLN A 1 155 ? 6.055   20.469  -25.204 1.000 11.474 0 155 GLN A CD  1 ? 
ATOM   1135 O  OE1 . GLN A 1 155 ? 5.251   20.394  -24.300 1.000 15.582 0 155 GLN A OE1 1 ? 
ATOM   1136 N  NE2 . GLN A 1 155 ? 5.665   20.605  -26.479 1.000 15.907 0 155 GLN A NE2 1 ? 
ATOM   1137 N  N   . ILE A 1 156 ? 10.108  16.313  -24.983 1.000 7.444  0 156 ILE A N   1 ? 
ATOM   1138 C  CA  . ILE A 1 156 ? 10.290  14.963  -24.453 1.000 7.724  0 156 ILE A CA  1 ? 
ATOM   1139 C  C   . ILE A 1 156 ? 11.777  14.706  -24.304 1.000 7.818  0 156 ILE A C   1 ? 
ATOM   1140 O  O   . ILE A 1 156 ? 12.531  14.714  -25.281 1.000 9.754  0 156 ILE A O   1 ? 
ATOM   1141 C  CB  . ILE A 1 156 ? 9.613   13.955  -25.390 1.000 7.761  0 156 ILE A CB  1 ? 
ATOM   1142 C  CG1 . ILE A 1 156 ? 8.132   14.245  -25.559 1.000 8.001  0 156 ILE A CG1 1 ? 
ATOM   1143 C  CG2 . ILE A 1 156 ? 9.828   12.517  -24.918 1.000 7.727  0 156 ILE A CG2 1 ? 
ATOM   1144 C  CD1 . ILE A 1 156 ? 7.339   14.206  -24.273 1.000 7.428  0 156 ILE A CD1 1 ? 
ATOM   1145 N  N   . THR A 1 157 ? 12.215  14.421  -23.072 1.000 7.440  0 157 THR A N   1 ? 
ATOM   1146 C  CA  . THR A 1 157 ? 13.589  14.044  -22.834 1.000 7.349  0 157 THR A CA  1 ? 
ATOM   1147 C  C   . THR A 1 157 ? 13.756  12.521  -22.765 1.000 7.024  0 157 THR A C   1 ? 
ATOM   1148 O  O   . THR A 1 157 ? 12.767  11.781  -22.735 1.000 7.552  0 157 THR A O   1 ? 
ATOM   1149 C  CB  . THR A 1 157 ? 14.110  14.662  -21.543 1.000 7.366  0 157 THR A CB  1 ? 
ATOM   1150 O  OG1 . THR A 1 157 ? 13.536  13.964  -20.432 1.000 7.335  0 157 THR A OG1 1 ? 
ATOM   1151 C  CG2 . THR A 1 157 ? 13.787  16.136  -21.425 1.000 7.614  0 157 THR A CG2 1 ? 
ATOM   1152 N  N   . SER A 1 158 ? 15.003  12.099  -22.634 1.000 7.667  0 158 SER A N   1 ? 
ATOM   1153 C  CA  . SER A 1 158 ? 15.345  10.692  -22.509 1.000 8.331  0 158 SER A CA  1 ? 
ATOM   1154 C  C   . SER A 1 158 ? 14.823  10.104  -21.195 1.000 7.458  0 158 SER A C   1 ? 
ATOM   1155 O  O   . SER A 1 158 ? 14.867  8.886   -21.010 1.000 8.395  0 158 SER A O   1 ? 
ATOM   1156 C  CB  . SER A 1 158 ? 16.842  10.502  -22.598 1.000 10.056 0 158 SER A CB  1 ? 
ATOM   1157 O  OG  . SER A 1 158 ? 17.478  11.148  -21.502 1.000 15.348 0 158 SER A OG  1 ? 
ATOM   1158 N  N   . ASN A 1 159 ? 14.269  10.958  -20.299 1.000 6.235  0 159 ASN A N   1 ? 
ATOM   1159 C  CA  . ASN A 1 159 ? 13.777  10.530  -18.994 1.000 5.970  0 159 ASN A CA  1 ? 
ATOM   1160 C  C   . ASN A 1 159 ? 12.245  10.489  -18.986 1.000 5.521  0 159 ASN A C   1 ? 
ATOM   1161 O  O   . ASN A 1 159 ? 11.673  10.390  -17.898 1.000 5.378  0 159 ASN A O   1 ? 
ATOM   1162 C  CB  . ASN A 1 159 ? 14.279  11.447  -17.867 1.000 6.210  0 159 ASN A CB  1 ? 
ATOM   1163 C  CG  . ASN A 1 159 ? 15.790  11.462  -17.819 1.000 6.729  0 159 ASN A CG  1 ? 
ATOM   1164 O  OD1 . ASN A 1 159 ? 16.403  10.399  -17.776 1.000 7.835  0 159 ASN A OD1 1 ? 
ATOM   1165 N  ND2 . ASN A 1 159 ? 16.423  12.636  -17.845 1.000 7.179  0 159 ASN A ND2 1 ? 
ATOM   1166 N  N   . MET A 1 160 ? 11.631  10.536  -20.188 1.000 5.672  0 160 MET A N   1 ? 
ATOM   1167 C  CA  . MET A 1 160 ? 10.180  10.593  -20.300 1.000 5.625  0 160 MET A CA  1 ? 
ATOM   1168 C  C   . MET A 1 160 ? 9.750   9.579   -21.360 1.000 6.297  0 160 MET A C   1 ? 
ATOM   1169 O  O   . MET A 1 160 ? 10.504  9.311   -22.326 1.000 7.429  0 160 MET A O   1 ? 
ATOM   1170 C  CB  . MET A 1 160 ? 9.685   11.976  -20.765 1.000 5.781  0 160 MET A CB  1 ? 
ATOM   1171 C  CG  . MET A 1 160 ? 10.047  13.074  -19.771 1.000 5.779  0 160 MET A CG  1 ? 
ATOM   1172 S  SD  . MET A 1 160 ? 9.694   14.663  -20.518 1.000 6.066  0 160 MET A SD  1 ? 
ATOM   1173 C  CE  . MET A 1 160 ? 10.535  15.759  -19.368 1.000 6.440  0 160 MET A CE  1 ? 
ATOM   1174 N  N   . PHE A 1 161 ? 8.573   9.009   -21.156 1.000 5.981  0 161 PHE A N   1 ? 
ATOM   1175 C  CA  . PHE A 1 161 ? 7.898   8.274   -22.232 1.000 6.205  0 161 PHE A CA  1 ? 
ATOM   1176 C  C   . PHE A 1 161 ? 6.413   8.605   -22.237 1.000 6.592  0 161 PHE A C   1 ? 
ATOM   1177 O  O   . PHE A 1 161 ? 5.856   9.029   -21.208 1.000 5.987  0 161 PHE A O   1 ? 
ATOM   1178 C  CB  . PHE A 1 161 ? 8.102   6.763   -22.117 1.000 6.453  0 161 PHE A CB  1 ? 
ATOM   1179 C  CG  . PHE A 1 161 ? 7.450   6.068   -20.935 1.000 6.279  0 161 PHE A CG  1 ? 
ATOM   1180 C  CD1 . PHE A 1 161 ? 8.109   5.978   -19.711 1.000 6.546  0 161 PHE A CD1 1 ? 
ATOM   1181 C  CD2 . PHE A 1 161 ? 6.179   5.505   -21.014 1.000 6.548  0 161 PHE A CD2 1 ? 
ATOM   1182 C  CE1 . PHE A 1 161 ? 7.535   5.330   -18.632 1.000 6.543  0 161 PHE A CE1 1 ? 
ATOM   1183 C  CE2 . PHE A 1 161 ? 5.614   4.841   -19.943 1.000 7.122  0 161 PHE A CE2 1 ? 
ATOM   1184 C  CZ  . PHE A 1 161 ? 6.285   4.771   -18.755 1.000 6.898  0 161 PHE A CZ  1 ? 
ATOM   1185 N  N   . CYS A 1 162 ? 5.793   8.384   -23.387 1.000 6.180  0 162 CYS A N   1 ? 
ATOM   1186 C  CA  . CYS A 1 162 ? 4.362   8.571   -23.493 1.000 6.014  0 162 CYS A CA  1 ? 
ATOM   1187 C  C   . CYS A 1 162 ? 3.678   7.216   -23.402 1.000 6.137  0 162 CYS A C   1 ? 
ATOM   1188 O  O   . CYS A 1 162 ? 4.177   6.184   -23.867 1.000 6.206  0 162 CYS A O   1 ? 
ATOM   1189 C  CB  . CYS A 1 162 ? 4.017   9.183   -24.840 1.000 6.129  0 162 CYS A CB  1 ? 
ATOM   1190 S  SG  . CYS A 1 162 ? 4.456   10.914  -25.068 1.000 7.064  0 162 CYS A SG  1 ? 
ATOM   1191 N  N   . ALA A 1 163 ? 2.468   7.212   -22.835 1.000 5.761  0 163 ALA A N   1 ? 
ATOM   1192 C  CA  . ALA A 1 163 ? 1.626   6.026   -22.855 1.000 5.877  0 163 ALA A CA  1 ? 
ATOM   1193 C  C   . ALA A 1 163 ? 0.181   6.486   -22.939 1.000 5.992  0 163 ALA A C   1 ? 
ATOM   1194 O  O   . ALA A 1 163 ? -0.162  7.606   -22.523 1.000 6.121  0 163 ALA A O   1 ? 
ATOM   1195 C  CB  . ALA A 1 163 ? 1.838   5.175   -21.640 1.000 6.032  0 163 ALA A CB  1 ? 
ATOM   1196 N  N   . GLY A 1 164 ? -0.641  5.646   -23.556 1.000 6.182  0 164 GLY A N   1 ? 
ATOM   1197 C  CA  . GLY A 1 164 ? -2.033  6.005   -23.740 1.000 7.026  0 164 GLY A CA  1 ? 
ATOM   1198 C  C   . GLY A 1 164 ? -2.507  5.811   -25.178 1.000 7.924  0 164 GLY A C   1 ? 
ATOM   1199 O  O   . GLY A 1 164 ? -2.095  4.860   -25.840 1.000 8.840  0 164 GLY A O   1 ? 
ATOM   1200 N  N   . TYR A 1 165 ? -3.394  6.728   -25.591 1.000 8.587  0 165 TYR A N   1 ? 
ATOM   1201 C  CA  . TYR A 1 165 ? -4.161  6.588   -26.826 1.000 9.621  0 165 TYR A CA  1 ? 
ATOM   1202 C  C   . TYR A 1 165 ? -4.203  7.929   -27.535 1.000 11.002 0 165 TYR A C   1 ? 
ATOM   1203 O  O   . TYR A 1 165 ? -4.795  8.861   -27.013 1.000 13.421 0 165 TYR A O   1 ? 
ATOM   1204 C  CB  . TYR A 1 165 ? -5.562  6.137   -26.430 1.000 10.612 0 165 TYR A CB  1 ? 
ATOM   1205 C  CG  . TYR A 1 165 ? -5.596  4.790   -25.768 1.000 10.698 0 165 TYR A CG  1 ? 
ATOM   1206 C  CD1 . TYR A 1 165 ? -5.624  3.636   -26.514 1.000 10.793 0 165 TYR A CD1 1 ? 
ATOM   1207 C  CD2 . TYR A 1 165 ? -5.530  4.656   -24.393 1.000 10.041 0 165 TYR A CD2 1 ? 
ATOM   1208 C  CE1 . TYR A 1 165 ? -5.633  2.380   -25.931 1.000 11.688 0 165 TYR A CE1 1 ? 
ATOM   1209 C  CE2 . TYR A 1 165 ? -5.519  3.407   -23.798 1.000 10.657 0 165 TYR A CE2 1 ? 
ATOM   1210 C  CZ  . TYR A 1 165 ? -5.559  2.262   -24.568 1.000 10.824 0 165 TYR A CZ  1 ? 
ATOM   1211 O  OH  . TYR A 1 165 ? -5.530  0.985   -24.047 1.000 12.358 0 165 TYR A OH  1 ? 
ATOM   1212 N  N   . LEU A 1 166 ? -3.668  7.972   -28.768 1.000 10.775 0 166 LEU A N   1 ? 
ATOM   1213 C  CA  . LEU A 1 166 ? -3.643  9.245   -29.494 1.000 12.017 0 166 LEU A CA  1 ? 
ATOM   1214 C  C   . LEU A 1 166 ? -5.045  9.706   -29.905 1.000 12.167 0 166 LEU A C   1 ? 
ATOM   1215 O  O   . LEU A 1 166 ? -5.249  10.906  -30.127 1.000 12.860 0 166 LEU A O   1 ? 
ATOM   1216 C  CB  . LEU A 1 166 ? -2.766  9.093   -30.743 1.000 12.691 0 166 LEU A CB  1 ? 
ATOM   1217 C  CG  . LEU A 1 166 ? -1.288  8.821   -30.513 1.000 13.480 0 166 LEU A CG  1 ? 
ATOM   1218 C  CD1 . LEU A 1 166 ? -0.558  8.671   -31.840 1.000 15.584 0 166 LEU A CD1 1 ? 
ATOM   1219 C  CD2 . LEU A 1 166 ? -0.667  9.909   -29.681 1.000 14.155 0 166 LEU A CD2 1 ? 
ATOM   1220 N  N   . GLU A 1 167 ? -6.014  8.787   -29.969 1.000 13.385 0 167 GLU A N   1 ? 
ATOM   1221 C  CA  . GLU A 1 167 ? -7.382  9.160   -30.310 1.000 15.327 0 167 GLU A CA  1 ? 
ATOM   1222 C  C   . GLU A 1 167 ? -8.069  9.980   -29.222 1.000 15.331 0 167 GLU A C   1 ? 
ATOM   1223 O  O   . GLU A 1 167 ? -9.121  10.568  -29.490 1.000 19.047 0 167 GLU A O   1 ? 
ATOM   1224 C  CB  . GLU A 1 167 ? -8.245  7.949   -30.670 1.000 17.518 0 167 GLU A CB  1 ? 
ATOM   1225 C  CG  . GLU A 1 167 ? -8.380  6.931   -29.552 1.000 21.568 0 167 GLU A CG  1 ? 
ATOM   1226 C  CD  . GLU A 1 167 ? -7.393  5.769   -29.623 1.000 21.843 0 167 GLU A CD  1 ? 
ATOM   1227 O  OE1 . GLU A 1 167 ? -7.868  4.606   -29.363 1.000 27.173 0 167 GLU A OE1 1 ? 
ATOM   1228 O  OE2 . GLU A 1 167 ? -6.146  6.000   -29.913 1.000 21.203 0 167 GLU A OE2 1 ? 
ATOM   1229 N  N   . GLY A 1 168 ? -7.543  9.961   -27.995 1.000 14.090 0 168 GLY A N   1 ? 
ATOM   1230 C  CA  . GLY A 1 168 ? -8.183  10.665  -26.897 1.000 14.637 0 168 GLY A CA  1 ? 
ATOM   1231 C  C   . GLY A 1 168 ? -9.146  9.743   -26.138 1.000 13.975 0 168 GLY A C   1 ? 
ATOM   1232 O  O   . GLY A 1 168 ? -9.470  8.637   -26.597 1.000 16.003 0 168 GLY A O   1 ? 
ATOM   1233 N  N   . GLY A 1 169 ? -9.620  10.250  -25.004 1.000 10.213 0 169 GLY A N   1 ? 
ATOM   1234 C  CA  . GLY A 1 169 ? -10.668 9.607   -24.210 1.000 9.836  0 169 GLY A CA  1 ? 
ATOM   1235 C  C   . GLY A 1 169 ? -10.175 8.775   -23.026 1.000 8.870  0 169 GLY A C   1 ? 
ATOM   1236 O  O   . GLY A 1 169 ? -10.962 8.472   -22.127 1.000 9.440  0 169 GLY A O   1 ? 
ATOM   1237 N  N   . LYS A 1 170 ? -8.903  8.400   -23.041 1.000 8.348  0 170 LYS A N   1 ? 
ATOM   1238 C  CA  . LYS A 1 170 ? -8.377  7.494   -22.017 1.000 8.114  0 170 LYS A CA  1 ? 
ATOM   1239 C  C   . LYS A 1 170 ? -6.998  8.012   -21.618 1.000 6.972  0 170 LYS A C   1 ? 
ATOM   1240 O  O   . LYS A 1 170 ? -6.033  7.990   -22.391 1.000 8.653  0 170 LYS A O   1 ? 
ATOM   1241 C  CB  . LYS A 1 170 ? -8.247  6.077   -22.582 1.000 9.380  0 170 LYS A CB  1 ? 
ATOM   1242 C  CG  . LYS A 1 170 ? -9.569  5.362   -22.755 1.000 12.193 0 170 LYS A CG  1 ? 
ATOM   1243 C  CD  . LYS A 1 170 ? -9.411  4.120   -23.646 1.000 16.429 0 170 LYS A CD  1 ? 
ATOM   1244 C  CE  . LYS A 1 170 ? -9.952  2.872   -23.017 1.000 23.224 0 170 LYS A CE  1 ? 
ATOM   1245 N  NZ  . LYS A 1 170 ? -9.488  1.668   -23.768 1.000 25.894 0 170 LYS A NZ  1 ? 
ATOM   1246 N  N   . ASP A 1 171 ? -6.890  8.389   -20.325 1.000 6.219  0 171 ASP A N   1 ? 
ATOM   1247 C  CA  . ASP A 1 171 ? -5.638  8.995   -19.889 1.000 6.123  0 171 ASP A CA  1 ? 
ATOM   1248 C  C   . ASP A 1 171 ? -5.603  9.077   -18.350 1.000 5.533  0 171 ASP A C   1 ? 
ATOM   1249 O  O   . ASP A 1 171 ? -6.639  8.973   -17.697 1.000 6.576  0 171 ASP A O   1 ? 
ATOM   1250 C  CB  . ASP A 1 171 ? -5.493  10.405  -20.521 1.000 6.120  0 171 ASP A CB  1 ? 
ATOM   1251 C  CG  . ASP A 1 171 ? -4.123  11.077  -20.497 1.000 6.346  0 171 ASP A CG  1 ? 
ATOM   1252 O  OD1 . ASP A 1 171 ? -3.079  10.482  -20.068 1.000 6.896  0 171 ASP A OD1 1 ? 
ATOM   1253 O  OD2 . ASP A 1 171 ? -4.096  12.287  -20.903 1.000 6.325  0 171 ASP A OD2 1 ? 
ATOM   1254 N  N   . SER A 1 172 ? -4.423  9.387   -17.803 1.000 5.846  0 172 SER A N   1 ? 
ATOM   1255 C  CA  . SER A 1 172 ? -4.325  9.883   -16.435 1.000 6.050  0 172 SER A CA  1 ? 
ATOM   1256 C  C   . SER A 1 172 ? -4.633  11.384  -16.407 1.000 6.519  0 172 SER A C   1 ? 
ATOM   1257 O  O   . SER A 1 172 ? -4.771  12.013  -17.471 1.000 6.766  0 172 SER A O   1 ? 
ATOM   1258 C  CB  . SER A 1 172 ? -2.987  9.528   -15.792 1.000 6.676  0 172 SER A CB  1 ? 
ATOM   1259 O  OG  . SER A 1 172 ? -1.887  10.027  -16.531 1.000 6.225  0 172 SER A OG  1 ? 
ATOM   1260 N  N   . CYS A 1 173 ? -4.712  11.997  -15.213 1.000 6.723  0 173 CYS A N   1 ? 
ATOM   1261 C  CA  . CYS A 1 173 ? -5.165  13.371  -15.107 1.000 7.150  0 173 CYS A CA  1 ? 
ATOM   1262 C  C   . CYS A 1 173 ? -4.665  13.962  -13.790 1.000 7.540  0 173 CYS A C   1 ? 
ATOM   1263 O  O   . CYS A 1 173 ? -4.078  13.271  -12.987 1.000 7.462  0 173 CYS A O   1 ? 
ATOM   1264 C  CB  . CYS A 1 173 ? -6.689  13.425  -15.249 1.000 7.314  0 173 CYS A CB  1 ? 
ATOM   1265 S  SG  . CYS A 1 173 ? -7.329  15.055  -15.746 1.000 8.376  0 173 CYS A SG  1 ? 
ATOM   1266 N  N   . GLN A 1 174 ? -4.980  15.240  -13.566 1.000 8.919  0 174 GLN A N   1 ? 
ATOM   1267 C  CA  . GLN A 1 174 ? -4.734  15.928  -12.312 1.000 9.940  0 174 GLN A CA  1 ? 
ATOM   1268 C  C   . GLN A 1 174 ? -5.166  15.058  -11.128 1.000 7.660  0 174 GLN A C   1 ? 
ATOM   1269 O  O   . GLN A 1 174 ? -6.289  14.559  -11.115 1.000 8.155  0 174 GLN A O   1 ? 
ATOM   1270 C  CB  . GLN A 1 174 ? -5.471  17.274  -12.275 1.000 13.357 0 174 GLN A CB  1 ? 
ATOM   1271 C  CG  . GLN A 1 174 ? -4.768  18.394  -13.021 1.000 17.704 0 174 GLN A CG  1 ? 
ATOM   1272 C  CD  . GLN A 1 174 ? -4.671  18.312  -14.536 1.000 20.301 0 174 GLN A CD  1 ? 
ATOM   1273 O  OE1 . GLN A 1 174 ? -5.627  17.999  -15.229 1.000 20.262 0 174 GLN A OE1 1 ? 
ATOM   1274 N  NE2 . GLN A 1 174 ? -3.528  18.734  -15.061 1.000 23.229 0 174 GLN A NE2 1 ? 
ATOM   1275 N  N   . GLY A 1 175 ? -4.259  14.901  -10.166 1.000 7.186  0 175 GLY A N   1 ? 
ATOM   1276 C  CA  . GLY A 1 175 ? -4.517  14.143  -8.964  1.000 6.685  0 175 GLY A CA  1 ? 
ATOM   1277 C  C   . GLY A 1 175 ? -4.034  12.705  -9.088  1.000 5.873  0 175 GLY A C   1 ? 
ATOM   1278 O  O   . GLY A 1 175 ? -3.918  12.038  -8.093  1.000 6.143  0 175 GLY A O   1 ? 
ATOM   1279 N  N   . ASP A 1 176 ? -3.717  12.249  -10.307 1.000 5.531  0 176 ASP A N   1 ? 
ATOM   1280 C  CA  . ASP A 1 176 ? -3.063  10.968  -10.515 1.000 5.389  0 176 ASP A CA  1 ? 
ATOM   1281 C  C   . ASP A 1 176 ? -1.533  11.105  -10.378 1.000 5.153  0 176 ASP A C   1 ? 
ATOM   1282 O  O   . ASP A 1 176 ? -0.829  10.090  -10.267 1.000 4.881  0 176 ASP A O   1 ? 
ATOM   1283 C  CB  . ASP A 1 176 ? -3.412  10.350  -11.877 1.000 5.112  0 176 ASP A CB  1 ? 
ATOM   1284 C  CG  . ASP A 1 176 ? -4.873  9.966   -11.998 1.000 5.192  0 176 ASP A CG  1 ? 
ATOM   1285 O  OD1 . ASP A 1 176 ? -5.391  9.375   -11.044 1.000 4.986  0 176 ASP A OD1 1 ? 
ATOM   1286 O  OD2 . ASP A 1 176 ? -5.404  10.161  -13.089 1.000 5.315  0 176 ASP A OD2 1 ? 
ATOM   1287 N  N   . SER A 1 177 ? -1.038  12.349  -10.512 1.000 5.181  0 177 SER A N   1 ? 
ATOM   1288 C  CA  . SER A 1 177 ? 0.393   12.642  -10.514 1.000 5.618  0 177 SER A CA  1 ? 
ATOM   1289 C  C   . SER A 1 177 ? 1.089   11.887  -9.423  1.000 4.635  0 177 SER A C   1 ? 
ATOM   1290 O  O   . SER A 1 177 ? 0.641   11.824  -8.284  1.000 4.798  0 177 SER A O   1 ? 
ATOM   1291 C  CB  . SER A 1 177 ? 0.625   14.101  -10.329 1.000 6.649  0 177 SER A CB  1 ? 
ATOM   1292 O  OG  . SER A 1 177 ? 0.136   14.739  -11.475 1.000 9.943  0 177 SER A OG  1 ? 
ATOM   1293 N  N   . GLY A 1 178 ? 2.276   11.355  -9.764  1.000 4.279  0 178 GLY A N   1 ? 
ATOM   1294 C  CA  . GLY A 1 178 ? 3.087   10.667  -8.769  1.000 4.015  0 178 GLY A CA  1 ? 
ATOM   1295 C  C   . GLY A 1 178 ? 2.816   9.159   -8.700  1.000 4.339  0 178 GLY A C   1 ? 
ATOM   1296 O  O   . GLY A 1 178 ? 3.596   8.372   -8.153  1.000 4.454  0 178 GLY A O   1 ? 
ATOM   1297 N  N   . GLY A 1 179 ? 1.665   8.740   -9.270  1.000 4.565  0 179 GLY A N   1 ? 
ATOM   1298 C  CA  . GLY A 1 179 ? 1.260   7.341   -9.164  1.000 4.727  0 179 GLY A CA  1 ? 
ATOM   1299 C  C   . GLY A 1 179 ? 1.901   6.462   -10.212 1.000 5.047  0 179 GLY A C   1 ? 
ATOM   1300 O  O   . GLY A 1 179 ? 2.715   6.904   -11.037 1.000 5.546  0 179 GLY A O   1 ? 
ATOM   1301 N  N   . PRO A 1 180 ? 1.562   5.169   -10.120 1.000 4.660  0 180 PRO A N   1 ? 
ATOM   1302 C  CA  . PRO A 1 180 ? 2.309   4.159   -10.875 1.000 4.917  0 180 PRO A CA  1 ? 
ATOM   1303 C  C   . PRO A 1 180 ? 1.821   3.940   -12.305 1.000 5.161  0 180 PRO A C   1 ? 
ATOM   1304 O  O   . PRO A 1 180 ? 0.632   3.987   -12.628 1.000 5.805  0 180 PRO A O   1 ? 
ATOM   1305 C  CB  . PRO A 1 180 ? 2.031   2.871   -10.105 1.000 4.834  0 180 PRO A CB  1 ? 
ATOM   1306 C  CG  . PRO A 1 180 ? 0.659   3.121   -9.486  1.000 4.742  0 180 PRO A CG  1 ? 
ATOM   1307 C  CD  . PRO A 1 180 ? 0.655   4.582   -9.130  1.000 4.735  0 180 PRO A CD  1 ? 
ATOM   1308 N  N   . VAL A 1 181 ? 2.768   3.487   -13.126 1.000 5.661  0 181 VAL A N   1 ? 
ATOM   1309 C  CA  . VAL A 1 181 ? 2.565   2.827   -14.398 1.000 5.914  0 181 VAL A CA  1 ? 
ATOM   1310 C  C   . VAL A 1 181 ? 3.314   1.507   -14.279 1.000 5.943  0 181 VAL A C   1 ? 
ATOM   1311 O  O   . VAL A 1 181 ? 4.554   1.502   -14.219 1.000 5.877  0 181 VAL A O   1 ? 
ATOM   1312 C  CB  . VAL A 1 181 ? 3.133   3.619   -15.585 1.000 6.621  0 181 VAL A CB  1 ? 
ATOM   1313 C  CG1 . VAL A 1 181 ? 2.893   2.890   -16.906 1.000 7.265  0 181 VAL A CG1 1 ? 
ATOM   1314 C  CG2 . VAL A 1 181 ? 2.572   5.047   -15.566 1.000 6.957  0 181 VAL A CG2 1 ? 
ATOM   1315 N  N   . VAL A 1 182 ? 2.595   0.396   -14.216 1.000 5.457  0 182 VAL A N   1 ? 
ATOM   1316 C  CA  . VAL A 1 182 ? 3.169   -0.916  -13.969 1.000 5.934  0 182 VAL A CA  1 ? 
ATOM   1317 C  C   . VAL A 1 182 ? 2.958   -1.781  -15.208 1.000 6.081  0 182 VAL A C   1 ? 
ATOM   1318 O  O   . VAL A 1 182 ? 1.856   -1.931  -15.701 1.000 6.443  0 182 VAL A O   1 ? 
ATOM   1319 C  CB  . VAL A 1 182 ? 2.593   -1.580  -12.701 1.000 6.075  0 182 VAL A CB  1 ? 
ATOM   1320 C  CG1 . VAL A 1 182 ? 2.892   -3.092  -12.637 1.000 6.971  0 182 VAL A CG1 1 ? 
ATOM   1321 C  CG2 . VAL A 1 182 ? 3.025   -0.864  -11.456 1.000 6.515  0 182 VAL A CG2 1 ? 
ATOM   1322 N  N   . CYS A 1 183 ? 4.070   -2.357  -15.703 1.000 6.257  0 183 CYS A N   1 ? 
ATOM   1323 C  CA  . CYS A 1 183 ? 4.096   -3.137  -16.948 1.000 7.592  0 183 CYS A CA  1 ? 
ATOM   1324 C  C   . CYS A 1 183 ? 4.765   -4.458  -16.635 1.000 7.812  0 183 CYS A C   1 ? 
ATOM   1325 O  O   . CYS A 1 183 ? 5.852   -4.503  -16.115 1.000 8.556  0 183 CYS A O   1 ? 
ATOM   1326 C  CB  . CYS A 1 183 ? 4.852   -2.432  -18.076 1.000 8.318  0 183 CYS A CB  1 ? 
ATOM   1327 S  SG  . CYS A 1 183 ? 4.583   -0.648  -18.137 1.000 10.196 0 183 CYS A SG  1 ? 
ATOM   1328 N  N   . SER A 1 184 ? 4.029   -5.540  -16.877 1.000 9.261  0 184 SER A N   1 ? 
ATOM   1329 C  CA  . SER A 1 184 ? 4.489   -6.889  -16.549 1.000 10.371 0 184 SER A CA  1 ? 
ATOM   1330 C  C   . SER A 1 184 ? 5.033   -6.976  -15.116 1.000 9.725  0 184 SER A C   1 ? 
ATOM   1331 O  O   . SER A 1 184 ? 6.062   -7.602  -14.854 1.000 10.820 0 184 SER A O   1 ? 
ATOM   1332 C  CB  . SER A 1 184 ? 5.501   -7.374  -17.568 1.000 11.903 0 184 SER A CB  1 ? 
ATOM   1333 O  OG  . SER A 1 184 ? 4.959   -7.275  -18.881 1.000 14.582 0 184 SER A OG  1 ? 
ATOM   1334 N  N   . GLY A 1 185 ? 4.352   -6.360  -14.137 1.000 9.769  0 185 GLY A N   1 ? 
ATOM   1335 C  CA  . GLY A 1 185 ? 4.731   -6.479  -12.741 1.000 9.719  0 185 GLY A CA  1 ? 
ATOM   1336 C  C   . GLY A 1 185 ? 5.944   -5.644  -12.340 1.000 9.295  0 185 GLY A C   1 ? 
ATOM   1337 O  O   . GLY A 1 185 ? 6.434   -5.855  -11.225 1.000 9.904  0 185 GLY A O   1 ? 
ATOM   1338 N  N   . LYS A 1 186 ? 6.328   -4.646  -13.164 1.000 8.324  0 186 LYS A N   1 ? 
ATOM   1339 C  CA  . LYS A 1 186 ? 7.443   -3.780  -12.817 1.000 8.542  0 186 LYS A CA  1 ? 
ATOM   1340 C  C   . LYS A 1 186 ? 6.987   -2.326  -12.901 1.000 7.247  0 186 LYS A C   1 ? 
ATOM   1341 O  O   . LYS A 1 186 ? 6.240   -1.949  -13.822 1.000 6.822  0 186 LYS A O   1 ? 
ATOM   1342 C  CB  . LYS A 1 186 ? 8.646   -3.947  -13.770 1.000 10.659 0 186 LYS A CB  1 ? 
ATOM   1343 C  CG  . LYS A 1 186 ? 9.131   -5.365  -14.052 1.000 12.714 0 186 LYS A CG  1 ? 
ATOM   1344 C  CD  . LYS A 1 186 ? 9.526   -6.129  -12.836 1.000 15.641 0 186 LYS A CD  1 ? 
ATOM   1345 C  CE  . LYS A 1 186 ? 10.102  -7.492  -13.200 1.000 18.945 0 186 LYS A CE  1 ? 
ATOM   1346 N  NZ  . LYS A 1 186 ? 10.874  -8.052  -12.066 1.000 25.095 0 186 LYS A NZ  1 ? 
ATOM   1347 N  N   . LEU A 1 187 ? 7.519   -1.505  -11.985 1.000 6.453  0 187 LEU A N   1 ? 
ATOM   1348 C  CA  . LEU A 1 187 ? 7.212   -0.075  -12.001 1.000 6.681  0 187 LEU A CA  1 ? 
ATOM   1349 C  C   . LEU A 1 187 ? 8.036   0.601   -13.094 1.000 6.192  0 187 LEU A C   1 ? 
ATOM   1350 O  O   . LEU A 1 187 ? 9.204   0.891   -12.882 1.000 7.963  0 187 LEU A O   1 ? 
ATOM   1351 C  CB  . LEU A 1 187 ? 7.494   0.545   -10.624 1.000 6.287  0 187 LEU A CB  1 ? 
ATOM   1352 C  CG  . LEU A 1 187 ? 7.143   2.039   -10.531 1.000 6.411  0 187 LEU A CG  1 ? 
ATOM   1353 C  CD1 . LEU A 1 187 ? 5.630   2.282   -10.600 1.000 7.034  0 187 LEU A CD1 1 ? 
ATOM   1354 C  CD2 . LEU A 1 187 ? 7.660   2.650   -9.257  1.000 6.602  0 187 LEU A CD2 1 ? 
ATOM   1355 N  N   . GLN A 1 188 ? 7.432   0.892   -14.239 1.000 6.263  0 188 GLN A N   1 ? 
ATOM   1356 C  CA  . GLN A 1 188 ? 8.162   1.488   -15.353 1.000 6.234  0 188 GLN A CA  1 ? 
ATOM   1357 C  C   . GLN A 1 188 ? 7.939   2.992   -15.480 1.000 5.989  0 188 GLN A C   1 ? 
ATOM   1358 O  O   . GLN A 1 188 ? 8.765   3.710   -16.055 1.000 6.122  0 188 GLN A O   1 ? 
ATOM   1359 C  CB  . GLN A 1 188 ? 7.841   0.831   -16.683 1.000 6.491  0 188 GLN A CB  1 ? 
ATOM   1360 C  CG  . GLN A 1 188 ? 8.271   -0.627  -16.779 1.000 6.695  0 188 GLN A CG  1 ? 
ATOM   1361 C  CD  . GLN A 1 188 ? 9.747   -0.828  -17.032 1.000 7.982  0 188 GLN A CD  1 ? 
ATOM   1362 O  OE1 . GLN A 1 188 ? 10.550  0.094   -16.997 1.000 8.946  0 188 GLN A OE1 1 ? 
ATOM   1363 N  NE2 . GLN A 1 188 ? 10.140  -2.090  -17.230 1.000 8.324  0 188 GLN A NE2 1 ? 
ATOM   1364 N  N   . GLY A 1 189 ? 6.841   3.507   -14.908 1.000 5.864  0 189 GLY A N   1 ? 
ATOM   1365 C  CA  . GLY A 1 189 ? 6.599   4.929   -15.021 1.000 5.371  0 189 GLY A CA  1 ? 
ATOM   1366 C  C   . GLY A 1 189 ? 5.974   5.553   -13.779 1.000 5.559  0 189 GLY A C   1 ? 
ATOM   1367 O  O   . GLY A 1 189 ? 5.444   4.860   -12.917 1.000 5.564  0 189 GLY A O   1 ? 
ATOM   1368 N  N   . ILE A 1 190 ? 6.027   6.886   -13.772 1.000 5.264  0 190 ILE A N   1 ? 
ATOM   1369 C  CA  . ILE A 1 190 ? 5.404   7.716   -12.748 1.000 5.021  0 190 ILE A CA  1 ? 
ATOM   1370 C  C   . ILE A 1 190 ? 4.541   8.732   -13.488 1.000 4.801  0 190 ILE A C   1 ? 
ATOM   1371 O  O   . ILE A 1 190 ? 5.031   9.369   -14.420 1.000 4.850  0 190 ILE A O   1 ? 
ATOM   1372 C  CB  . ILE A 1 190 ? 6.472   8.383   -11.873 1.000 5.271  0 190 ILE A CB  1 ? 
ATOM   1373 C  CG1 . ILE A 1 190 ? 7.395   7.376   -11.172 1.000 6.421  0 190 ILE A CG1 1 ? 
ATOM   1374 C  CG2 . ILE A 1 190 ? 5.778   9.386   -10.940 1.000 5.216  0 190 ILE A CG2 1 ? 
ATOM   1375 C  CD1 . ILE A 1 190 ? 8.608   8.021   -10.585 1.000 6.516  0 190 ILE A CD1 1 ? 
ATOM   1376 N  N   . VAL A 1 191 ? 3.265   8.876   -13.116 1.000 4.484  0 191 VAL A N   1 ? 
ATOM   1377 C  CA  . VAL A 1 191 ? 2.410   9.892   -13.723 1.000 4.600  0 191 VAL A CA  1 ? 
ATOM   1378 C  C   . VAL A 1 191 ? 3.036   11.277  -13.549 1.000 4.811  0 191 VAL A C   1 ? 
ATOM   1379 O  O   . VAL A 1 191 ? 3.266   11.733  -12.436 1.000 5.087  0 191 VAL A O   1 ? 
ATOM   1380 C  CB  . VAL A 1 191 ? 0.996   9.841   -13.116 1.000 4.613  0 191 VAL A CB  1 ? 
ATOM   1381 C  CG1 . VAL A 1 191 ? 0.106   10.921  -13.730 1.000 5.102  0 191 VAL A CG1 1 ? 
ATOM   1382 C  CG2 . VAL A 1 191 ? 0.359   8.456   -13.192 1.000 4.800  0 191 VAL A CG2 1 ? 
ATOM   1383 N  N   . SER A 1 192 ? 3.313   11.946  -14.663 1.000 4.822  0 192 SER A N   1 ? 
ATOM   1384 C  CA  . SER A 1 192 ? 4.066   13.200  -14.646 1.000 4.846  0 192 SER A CA  1 ? 
ATOM   1385 C  C   . SER A 1 192 ? 3.286   14.376  -15.233 1.000 4.971  0 192 SER A C   1 ? 
ATOM   1386 O  O   . SER A 1 192 ? 3.060   15.350  -14.524 1.000 6.005  0 192 SER A O   1 ? 
ATOM   1387 C  CB  . SER A 1 192 ? 5.434   13.012  -15.261 1.000 5.092  0 192 SER A CB  1 ? 
ATOM   1388 O  OG  . SER A 1 192 ? 6.248   14.192  -15.186 1.000 4.908  0 192 SER A OG  1 ? 
ATOM   1389 N  N   . TRP A 1 193 ? 3.030   14.399  -16.544 1.000 5.530  0 193 TRP A N   1 ? 
ATOM   1390 C  CA  . TRP A 1 193 ? 2.376   15.546  -17.148 1.000 6.088  0 193 TRP A CA  1 ? 
ATOM   1391 C  C   . TRP A 1 193 ? 1.656   15.195  -18.447 1.000 6.407  0 193 TRP A C   1 ? 
ATOM   1392 O  O   . TRP A 1 193 ? 1.611   14.044  -18.872 1.000 6.051  0 193 TRP A O   1 ? 
ATOM   1393 C  CB  . TRP A 1 193 ? 3.404   16.669  -17.359 1.000 5.814  0 193 TRP A CB  1 ? 
ATOM   1394 C  CG  . TRP A 1 193 ? 4.557   16.398  -18.284 1.000 5.966  0 193 TRP A CG  1 ? 
ATOM   1395 C  CD1 . TRP A 1 193 ? 5.747   15.785  -18.004 1.000 5.982  0 193 TRP A CD1 1 ? 
ATOM   1396 C  CD2 . TRP A 1 193 ? 4.648   16.798  -19.671 1.000 6.479  0 193 TRP A CD2 1 ? 
ATOM   1397 N  NE1 . TRP A 1 193 ? 6.535   15.751  -19.120 1.000 6.314  0 193 TRP A NE1 1 ? 
ATOM   1398 C  CE2 . TRP A 1 193 ? 5.912   16.402  -20.146 1.000 6.940  0 193 TRP A CE2 1 ? 
ATOM   1399 C  CE3 . TRP A 1 193 ? 3.789   17.501  -20.542 1.000 7.739  0 193 TRP A CE3 1 ? 
ATOM   1400 C  CZ2 . TRP A 1 193 ? 6.319   16.637  -21.450 1.000 6.864  0 193 TRP A CZ2 1 ? 
ATOM   1401 C  CZ3 . TRP A 1 193 ? 4.196   17.719  -21.835 1.000 7.824  0 193 TRP A CZ3 1 ? 
ATOM   1402 C  CH2 . TRP A 1 193 ? 5.444   17.322  -22.265 1.000 7.580  0 193 TRP A CH2 1 ? 
ATOM   1403 N  N   . GLY A 1 194 ? 1.027   16.223  -19.047 1.000 7.290  0 194 GLY A N   1 ? 
ATOM   1404 C  CA  . GLY A 1 194 ? 0.347   16.099  -20.320 1.000 8.147  0 194 GLY A CA  1 ? 
ATOM   1405 C  C   . GLY A 1 194 ? -0.463  17.379  -20.541 1.000 9.317  0 194 GLY A C   1 ? 
ATOM   1406 O  O   . GLY A 1 194 ? -0.757  18.088  -19.582 1.000 11.927 0 194 GLY A O   1 ? 
ATOM   1407 N  N   . SER A 1 195 ? -0.841  17.634  -21.788 1.000 9.831  0 195 SER A N   1 ? 
ATOM   1408 C  CA  . SER A 1 195 ? -1.620  18.812  -22.112 1.000 9.972  0 195 SER A CA  1 ? 
ATOM   1409 C  C   . SER A 1 195 ? -3.094  18.522  -21.898 1.000 8.911  0 195 SER A C   1 ? 
ATOM   1410 O  O   . SER A 1 195 ? -3.676  17.761  -22.634 1.000 10.360 0 195 SER A O   1 ? 
ATOM   1411 C  CB  . SER A 1 195 ? -1.373  19.224  -23.533 1.000 12.036 0 195 SER A CB  1 ? 
ATOM   1412 O  OG  . SER A 1 195 ? -2.111  20.447  -23.709 1.000 18.524 0 195 SER A OG  1 ? 
ATOM   1413 N  N   . GLY A 1 196 ? -3.700  19.063  -20.870 1.000 8.007  0 196 GLY A N   1 ? 
ATOM   1414 C  CA  . GLY A 1 196 ? -5.054  18.647  -20.540 1.000 8.181  0 196 GLY A CA  1 ? 
ATOM   1415 C  C   . GLY A 1 196 ? -5.052  17.168  -20.130 1.000 8.373  0 196 GLY A C   1 ? 
ATOM   1416 O  O   . GLY A 1 196 ? -4.032  16.680  -19.645 1.000 10.337 0 196 GLY A O   1 ? 
ATOM   1417 N  N   . CYS A 1 197 ? -6.187  16.494  -20.316 1.000 8.634  0 197 CYS A N   1 ? 
ATOM   1418 C  CA  . CYS A 1 197 ? -6.269  15.064  -20.070 1.000 8.974  0 197 CYS A CA  1 ? 
ATOM   1419 C  C   . CYS A 1 197 ? -7.138  14.442  -21.148 1.000 9.119  0 197 CYS A C   1 ? 
ATOM   1420 O  O   . CYS A 1 197 ? -8.233  14.935  -21.427 1.000 8.898  0 197 CYS A O   1 ? 
ATOM   1421 C  CB  . CYS A 1 197 ? -6.906  14.748  -18.718 1.000 9.413  0 197 CYS A CB  1 ? 
ATOM   1422 S  SG  . CYS A 1 197 ? -6.195  15.665  -17.325 1.000 9.353  0 197 CYS A SG  1 ? 
ATOM   1423 N  N   . ALA A 1 198 ? -6.672  13.339  -21.705 1.000 9.325  0 198 ALA A N   1 ? 
ATOM   1424 C  CA  . ALA A 1 198 ? -7.456  12.534  -22.639 1.000 8.761  0 198 ALA A CA  1 ? 
ATOM   1425 C  C   . ALA A 1 198 ? -7.783  13.306  -23.915 1.000 10.418 0 198 ALA A C   1 ? 
ATOM   1426 O  O   . ALA A 1 198 ? -8.778  12.978  -24.584 1.000 10.508 0 198 ALA A O   1 ? 
ATOM   1427 C  CB  . ALA A 1 198 ? -8.699  11.993  -21.988 1.000 9.035  0 198 ALA A CB  1 ? 
ATOM   1428 N  N   . GLN A 1 199 ? -6.941  14.285  -24.255 1.000 10.559 0 199 GLN A N   1 ? 
ATOM   1429 C  CA  . GLN A 1 199 ? -7.145  15.032  -25.479 1.000 11.425 0 199 GLN A CA  1 ? 
ATOM   1430 C  C   . GLN A 1 199 ? -6.522  14.271  -26.648 1.000 11.776 0 199 GLN A C   1 ? 
ATOM   1431 O  O   . GLN A 1 199 ? -5.458  13.676  -26.573 1.000 11.123 0 199 GLN A O   1 ? 
ATOM   1432 C  CB  . GLN A 1 199 ? -6.566  16.440  -25.357 1.000 12.209 0 199 GLN A CB  1 ? 
ATOM   1433 C  CG  . GLN A 1 199 ? -7.155  17.263  -24.206 1.000 13.277 0 199 GLN A CG  1 ? 
ATOM   1434 C  CD  . GLN A 1 199 ? -8.642  17.456  -24.292 1.000 16.557 0 199 GLN A CD  1 ? 
ATOM   1435 O  OE1 . GLN A 1 199 ? -9.119  18.094  -25.238 1.000 21.954 0 199 GLN A OE1 1 ? 
ATOM   1436 N  NE2 . GLN A 1 199 ? -9.404  16.871  -23.361 1.000 17.308 0 199 GLN A NE2 1 ? 
ATOM   1437 N  N   . LYS A 1 200 ? -7.154  14.426  -27.808 1.000 11.731 0 200 LYS A N   1 ? 
ATOM   1438 C  CA  . LYS A 1 200 ? -6.598  13.902  -29.036 1.000 12.989 0 200 LYS A CA  1 ? 
ATOM   1439 C  C   . LYS A 1 200 ? -5.172  14.417  -29.249 1.000 11.249 0 200 LYS A C   1 ? 
ATOM   1440 O  O   . LYS A 1 200 ? -4.838  15.611  -29.111 1.000 12.285 0 200 LYS A O   1 ? 
ATOM   1441 C  CB  . LYS A 1 200 ? -7.489  14.266  -30.233 1.000 14.351 0 200 LYS A CB  1 ? 
ATOM   1442 C  CG  . LYS A 1 200 ? -7.134  13.557  -31.520 1.000 18.607 0 200 LYS A CG  1 ? 
ATOM   1443 C  CD  . LYS A 1 200 ? -7.983  14.005  -32.726 1.000 22.321 0 200 LYS A CD  1 ? 
ATOM   1444 C  CE  . LYS A 1 200 ? -7.439  13.420  -34.013 1.000 27.190 0 200 LYS A CE  1 ? 
ATOM   1445 N  NZ  . LYS A 1 200 ? -8.105  14.011  -35.202 1.000 31.956 0 200 LYS A NZ  1 ? 
ATOM   1446 N  N   . ASN A 1 201 ? -4.283  13.467  -29.581 1.000 10.985 0 201 ASN A N   1 ? 
ATOM   1447 C  CA  . ASN A 1 201 ? -2.887  13.740  -29.920 1.000 12.906 0 201 ASN A CA  1 ? 
ATOM   1448 C  C   . ASN A 1 201 ? -2.047  14.305  -28.767 1.000 13.400 0 201 ASN A C   1 ? 
ATOM   1449 O  O   . ASN A 1 201 ? -0.991  14.911  -28.991 1.000 14.444 0 201 ASN A O   1 ? 
ATOM   1450 C  CB  . ASN A 1 201 ? -2.786  14.610  -31.176 1.000 15.227 0 201 ASN A CB  1 ? 
ATOM   1451 C  CG  . ASN A 1 201 ? -3.265  13.849  -32.405 1.000 21.162 0 201 ASN A CG  1 ? 
ATOM   1452 O  OD1 . ASN A 1 201 ? -3.957  14.411  -33.254 1.000 22.929 0 201 ASN A OD1 1 ? 
ATOM   1453 N  ND2 . ASN A 1 201 ? -2.910  12.575  -32.500 1.000 22.151 0 201 ASN A ND2 1 ? 
ATOM   1454 N  N   . LYS A 1 202 ? -2.553  14.173  -27.531 1.000 10.593 0 202 LYS A N   1 ? 
ATOM   1455 C  CA  . LYS A 1 202 ? -1.866  14.665  -26.342 1.000 11.476 0 202 LYS A CA  1 ? 
ATOM   1456 C  C   . LYS A 1 202 ? -1.856  13.554  -25.296 1.000 9.775  0 202 LYS A C   1 ? 
ATOM   1457 O  O   . LYS A 1 202 ? -2.574  13.615  -24.278 1.000 8.824  0 202 LYS A O   1 ? 
ATOM   1458 C  CB  . LYS A 1 202 ? -2.515  15.929  -25.807 1.000 12.612 0 202 LYS A CB  1 ? 
ATOM   1459 C  CG  . LYS A 1 202 ? -2.392  17.104  -26.785 1.000 14.461 0 202 LYS A CG  1 ? 
ATOM   1460 C  CD  . LYS A 1 202 ? -0.937  17.621  -26.916 1.000 16.500 0 202 LYS A CD  1 ? 
ATOM   1461 C  CE  . LYS A 1 202 ? -0.703  18.711  -27.942 1.000 20.008 0 202 LYS A CE  1 ? 
ATOM   1462 N  NZ  . LYS A 1 202 ? 0.733   19.072  -28.044 1.000 17.714 0 202 LYS A NZ  1 ? 
ATOM   1463 N  N   . PRO A 1 203 ? -1.049  12.503  -25.533 1.000 9.501  0 203 PRO A N   1 ? 
ATOM   1464 C  CA  . PRO A 1 203 ? -1.031  11.376  -24.603 1.000 8.556  0 203 PRO A CA  1 ? 
ATOM   1465 C  C   . PRO A 1 203 ? -0.412  11.792  -23.264 1.000 8.433  0 203 PRO A C   1 ? 
ATOM   1466 O  O   . PRO A 1 203 ? 0.254   12.817  -23.130 1.000 8.836  0 203 PRO A O   1 ? 
ATOM   1467 C  CB  . PRO A 1 203 ? -0.247  10.320  -25.374 1.000 9.013  0 203 PRO A CB  1 ? 
ATOM   1468 C  CG  . PRO A 1 203 ? 0.741   11.134  -26.140 1.000 9.082  0 203 PRO A CG  1 ? 
ATOM   1469 C  CD  . PRO A 1 203 ? -0.079  12.319  -26.620 1.000 9.376  0 203 PRO A CD  1 ? 
ATOM   1470 N  N   . GLY A 1 204 ? -0.547  10.913  -22.288 1.000 7.236  0 204 GLY A N   1 ? 
ATOM   1471 C  CA  . GLY A 1 204 ? 0.155   11.108  -21.025 1.000 6.542  0 204 GLY A CA  1 ? 
ATOM   1472 C  C   . GLY A 1 204 ? 1.663   10.946  -21.186 1.000 6.290  0 204 GLY A C   1 ? 
ATOM   1473 O  O   . GLY A 1 204 ? 2.173   10.088  -21.910 1.000 5.996  0 204 GLY A O   1 ? 
ATOM   1474 N  N   . VAL A 1 205 ? 2.367   11.717  -20.358 1.000 5.297  0 205 VAL A N   1 ? 
ATOM   1475 C  CA  . VAL A 1 205 ? 3.810   11.697  -20.288 1.000 5.160  0 205 VAL A CA  1 ? 
ATOM   1476 C  C   . VAL A 1 205 ? 4.201   11.239  -18.892 1.000 5.163  0 205 VAL A C   1 ? 
ATOM   1477 O  O   . VAL A 1 205 ? 3.735   11.739  -17.867 1.000 5.648  0 205 VAL A O   1 ? 
ATOM   1478 C  CB  . VAL A 1 205 ? 4.453   13.059  -20.665 1.000 5.298  0 205 VAL A CB  1 ? 
ATOM   1479 C  CG1 . VAL A 1 205 ? 5.975   12.886  -20.772 1.000 5.776  0 205 VAL A CG1 1 ? 
ATOM   1480 C  CG2 . VAL A 1 205 ? 3.856   13.570  -21.958 1.000 5.522  0 205 VAL A CG2 1 ? 
ATOM   1481 N  N   . TYR A 1 206 ? 5.167   10.298  -18.855 1.000 4.538  0 206 TYR A N   1 ? 
ATOM   1482 C  CA  . TYR A 1 206 ? 5.519   9.576   -17.645 1.000 4.451  0 206 TYR A CA  1 ? 
ATOM   1483 C  C   . TYR A 1 206 ? 7.018   9.612   -17.430 1.000 4.632  0 206 TYR A C   1 ? 
ATOM   1484 O  O   . TYR A 1 206 ? 7.805   9.480   -18.361 1.000 5.546  0 206 TYR A O   1 ? 
ATOM   1485 C  CB  . TYR A 1 206 ? 4.989   8.137   -17.812 1.000 4.153  0 206 TYR A CB  1 ? 
ATOM   1486 C  CG  . TYR A 1 206 ? 3.486   8.089   -17.951 1.000 4.270  0 206 TYR A CG  1 ? 
ATOM   1487 C  CD1 . TYR A 1 206 ? 2.697   8.082   -16.809 1.000 4.342  0 206 TYR A CD1 1 ? 
ATOM   1488 C  CD2 . TYR A 1 206 ? 2.867   8.085   -19.192 1.000 4.151  0 206 TYR A CD2 1 ? 
ATOM   1489 C  CE1 . TYR A 1 206 ? 1.329   8.103   -16.888 1.000 4.444  0 206 TYR A CE1 1 ? 
ATOM   1490 C  CE2 . TYR A 1 206 ? 1.484   8.149   -19.303 1.000 4.156  0 206 TYR A CE2 1 ? 
ATOM   1491 C  CZ  . TYR A 1 206 ? 0.731   8.154   -18.136 1.000 4.343  0 206 TYR A CZ  1 ? 
ATOM   1492 O  OH  . TYR A 1 206 ? -0.662  8.232   -18.233 1.000 5.186  0 206 TYR A OH  1 ? 
ATOM   1493 N  N   . THR A 1 207 ? 7.400   9.690   -16.168 1.000 4.590  0 207 THR A N   1 ? 
ATOM   1494 C  CA  . THR A 1 207 ? 8.809   9.557   -15.821 1.000 4.527  0 207 THR A CA  1 ? 
ATOM   1495 C  C   . THR A 1 207 ? 9.294   8.148   -16.105 1.000 5.012  0 207 THR A C   1 ? 
ATOM   1496 O  O   . THR A 1 207 ? 8.678   7.200   -15.685 1.000 4.563  0 207 THR A O   1 ? 
ATOM   1497 C  CB  . THR A 1 207 ? 9.041   9.913   -14.351 1.000 4.780  0 207 THR A CB  1 ? 
ATOM   1498 O  OG1 . THR A 1 207 ? 8.431   11.178  -14.093 1.000 4.955  0 207 THR A OG1 1 ? 
ATOM   1499 C  CG2 . THR A 1 207 ? 10.520  9.978   -14.063 1.000 5.175  0 207 THR A CG2 1 ? 
ATOM   1500 N  N   . LYS A 1 208 ? 10.473  8.039   -16.761 1.000 5.027  0 208 LYS A N   1 ? 
ATOM   1501 C  CA  . LYS A 1 208 ? 10.989  6.738   -17.186 1.000 5.771  0 208 LYS A CA  1 ? 
ATOM   1502 C  C   . LYS A 1 208 ? 11.835  6.118   -16.065 1.000 5.235  0 208 LYS A C   1 ? 
ATOM   1503 O  O   . LYS A 1 208 ? 13.061  6.338   -15.938 1.000 4.916  0 208 LYS A O   1 ? 
ATOM   1504 C  CB  . LYS A 1 208 ? 11.797  6.922   -18.473 1.000 6.501  0 208 LYS A CB  1 ? 
ATOM   1505 C  CG  . LYS A 1 208 ? 12.200  5.616   -19.166 1.000 7.703  0 208 LYS A CG  1 ? 
ATOM   1506 C  CD  . LYS A 1 208 ? 12.811  5.846   -20.522 1.000 8.504  0 208 LYS A CD  1 ? 
ATOM   1507 C  CE  . LYS A 1 208 ? 13.258  4.547   -21.123 1.000 10.675 0 208 LYS A CE  1 ? 
ATOM   1508 N  NZ  . LYS A 1 208 ? 13.642  4.722   -22.542 1.000 14.362 0 208 LYS A NZ  1 ? 
ATOM   1509 N  N   . VAL A 1 209 ? 11.175  5.311   -15.221 1.000 5.081  0 209 VAL A N   1 ? 
ATOM   1510 C  CA  . VAL A 1 209 ? 11.724  4.816   -13.965 1.000 5.095  0 209 VAL A CA  1 ? 
ATOM   1511 C  C   . VAL A 1 209 ? 13.027  4.027   -14.145 1.000 5.595  0 209 VAL A C   1 ? 
ATOM   1512 O  O   . VAL A 1 209 ? 13.892  4.064   -13.290 1.000 5.960  0 209 VAL A O   1 ? 
ATOM   1513 C  CB  . VAL A 1 209 ? 10.681  4.002   -13.165 1.000 5.353  0 209 VAL A CB  1 ? 
ATOM   1514 C  CG1 . VAL A 1 209 ? 11.329  3.331   -11.953 1.000 5.504  0 209 VAL A CG1 1 ? 
ATOM   1515 C  CG2 . VAL A 1 209 ? 9.528   4.899   -12.705 1.000 5.123  0 209 VAL A CG2 1 ? 
ATOM   1516 N  N   . CYS A 1 210 ? 13.131  3.262   -15.240 1.000 5.791  0 210 CYS A N   1 ? 
ATOM   1517 C  CA  . CYS A 1 210 ? 14.299  2.396   -15.394 1.000 6.610  0 210 CYS A CA  1 ? 
ATOM   1518 C  C   . CYS A 1 210 ? 15.600  3.199   -15.425 1.000 7.232  0 210 CYS A C   1 ? 
ATOM   1519 O  O   . CYS A 1 210 ? 16.672  2.699   -15.051 1.000 9.917  0 210 CYS A O   1 ? 
ATOM   1520 C  CB  . CYS A 1 210 ? 14.150  1.589   -16.670 1.000 7.142  0 210 CYS A CB  1 ? 
ATOM   1521 S  SG  . CYS A 1 210 ? 14.093  2.550   -18.200 1.000 8.188  0 210 CYS A SG  1 ? 
ATOM   1522 N  N   . ASN A 1 211 ? 15.537  4.493   -15.805 1.000 6.667  0 211 ASN A N   1 ? 
ATOM   1523 C  CA  . ASN A 1 211 ? 16.717  5.364   -15.770 1.000 6.618  0 211 ASN A CA  1 ? 
ATOM   1524 C  C   . ASN A 1 211 ? 17.189  5.732   -14.361 1.000 6.719  0 211 ASN A C   1 ? 
ATOM   1525 O  O   . ASN A 1 211 ? 18.338  6.193   -14.184 1.000 8.214  0 211 ASN A O   1 ? 
ATOM   1526 C  CB  . ASN A 1 211 ? 16.454  6.684   -16.498 1.000 6.427  0 211 ASN A CB  1 ? 
ATOM   1527 C  CG  . ASN A 1 211 ? 16.255  6.562   -17.987 1.000 7.070  0 211 ASN A CG  1 ? 
ATOM   1528 O  OD1 . ASN A 1 211 ? 16.206  5.454   -18.541 1.000 8.921  0 211 ASN A OD1 1 ? 
ATOM   1529 N  ND2 . ASN A 1 211 ? 15.954  7.687   -18.628 1.000 7.631  0 211 ASN A ND2 1 ? 
ATOM   1530 N  N   . TYR A 1 212 ? 16.391  5.444   -13.347 1.000 6.329  0 212 TYR A N   1 ? 
ATOM   1531 C  CA  . TYR A 1 212 ? 16.580  5.950   -11.994 1.000 6.737  0 212 TYR A CA  1 ? 
ATOM   1532 C  C   . TYR A 1 212 ? 16.875  4.841   -10.986 1.000 7.284  0 212 TYR A C   1 ? 
ATOM   1533 O  O   . TYR A 1 212 ? 16.987  5.141   -9.796  1.000 8.033  0 212 TYR A O   1 ? 
ATOM   1534 C  CB  . TYR A 1 212 ? 15.336  6.744   -11.573 1.000 6.646  0 212 TYR A CB  1 ? 
ATOM   1535 C  CG  . TYR A 1 212 ? 15.156  7.981   -12.408 1.000 6.121  0 212 TYR A CG  1 ? 
ATOM   1536 C  CD1 . TYR A 1 212 ? 15.995  9.069   -12.253 1.000 6.009  0 212 TYR A CD1 1 ? 
ATOM   1537 C  CD2 . TYR A 1 212 ? 14.218  8.017   -13.435 1.000 5.940  0 212 TYR A CD2 1 ? 
ATOM   1538 C  CE1 . TYR A 1 212 ? 15.901  10.181  -13.098 1.000 5.388  0 212 TYR A CE1 1 ? 
ATOM   1539 C  CE2 . TYR A 1 212 ? 14.119  9.112   -14.291 1.000 5.873  0 212 TYR A CE2 1 ? 
ATOM   1540 C  CZ  . TYR A 1 212 ? 14.914  10.218  -14.066 1.000 5.626  0 212 TYR A CZ  1 ? 
ATOM   1541 O  OH  . TYR A 1 212 ? 14.830  11.323  -14.899 1.000 6.525  0 212 TYR A OH  1 ? 
ATOM   1542 N  N   . VAL A 1 213 ? 16.867  3.584   -11.433 1.000 8.507  0 213 VAL A N   1 ? 
ATOM   1543 C  CA  . VAL A 1 213 ? 16.984  2.500   -10.479 1.000 8.936  0 213 VAL A CA  1 ? 
ATOM   1544 C  C   . VAL A 1 213 ? 18.304  2.574   -9.725  1.000 8.372  0 213 VAL A C   1 ? 
ATOM   1545 O  O   . VAL A 1 213 ? 18.317  2.281   -8.519  1.000 7.699  0 213 VAL A O   1 ? 
ATOM   1546 C  CB  . VAL A 1 213 ? 16.798  1.152   -11.197 1.000 10.020 0 213 VAL A CB  1 ? 
ATOM   1547 C  CG1 . VAL A 1 213 ? 17.103  -0.021  -10.268 1.000 12.393 0 213 VAL A CG1 1 ? 
ATOM   1548 C  CG2 . VAL A 1 213 ? 15.372  0.999   -11.710 1.000 10.225 0 213 VAL A CG2 1 ? 
ATOM   1549 N  N   . SER A 1 214 ? 19.412  2.943   -10.364 1.000 8.885  0 214 SER A N   1 ? 
ATOM   1550 C  CA  . SER A 1 214 ? 20.679  3.038   -9.632  1.000 10.308 0 214 SER A CA  1 ? 
ATOM   1551 C  C   . SER A 1 214 ? 20.619  4.117   -8.554  1.000 8.665  0 214 SER A C   1 ? 
ATOM   1552 O  O   . SER A 1 214 ? 21.084  3.910   -7.442  1.000 8.274  0 214 SER A O   1 ? 
ATOM   1553 C  CB  . SER A 1 214 ? 21.833  3.323   -10.555 1.000 14.262 0 214 SER A CB  1 ? 
ATOM   1554 O  OG  . SER A 1 214 ? 21.961  2.237   -11.436 1.000 23.803 0 214 SER A OG  1 ? 
ATOM   1555 N  N   . TRP A 1 215 ? 20.025  5.270   -8.905  1.000 7.076  0 215 TRP A N   1 ? 
ATOM   1556 C  CA  . TRP A 1 215 ? 19.851  6.350   -7.936  1.000 7.190  0 215 TRP A CA  1 ? 
ATOM   1557 C  C   . TRP A 1 215 ? 18.941  5.911   -6.780  1.000 6.611  0 215 TRP A C   1 ? 
ATOM   1558 O  O   . TRP A 1 215 ? 19.214  6.145   -5.609  1.000 5.770  0 215 TRP A O   1 ? 
ATOM   1559 C  CB  . TRP A 1 215 ? 19.321  7.627   -8.606  1.000 6.777  0 215 TRP A CB  1 ? 
ATOM   1560 C  CG  . TRP A 1 215 ? 18.923  8.699   -7.633  1.000 6.323  0 215 TRP A CG  1 ? 
ATOM   1561 C  CD1 . TRP A 1 215 ? 19.711  9.525   -6.909  1.000 6.193  0 215 TRP A CD1 1 ? 
ATOM   1562 C  CD2 . TRP A 1 215 ? 17.582  9.071   -7.295  1.000 5.670  0 215 TRP A CD2 1 ? 
ATOM   1563 N  NE1 . TRP A 1 215 ? 18.976  10.385  -6.147  1.000 6.476  0 215 TRP A NE1 1 ? 
ATOM   1564 C  CE2 . TRP A 1 215 ? 17.638  10.129  -6.346  1.000 6.174  0 215 TRP A CE2 1 ? 
ATOM   1565 C  CE3 . TRP A 1 215 ? 16.299  8.595   -7.656  1.000 6.132  0 215 TRP A CE3 1 ? 
ATOM   1566 C  CZ2 . TRP A 1 215 ? 16.489  10.714  -5.806  1.000 6.070  0 215 TRP A CZ2 1 ? 
ATOM   1567 C  CZ3 . TRP A 1 215 ? 15.181  9.196   -7.134  1.000 6.072  0 215 TRP A CZ3 1 ? 
ATOM   1568 C  CH2 . TRP A 1 215 ? 15.274  10.236  -6.227  1.000 6.397  0 215 TRP A CH2 1 ? 
ATOM   1569 N  N   . ILE A 1 216 ? 17.854  5.209   -7.099  1.000 5.795  0 216 ILE A N   1 ? 
ATOM   1570 C  CA  . ILE A 1 216 ? 16.924  4.764   -6.087  1.000 6.174  0 216 ILE A CA  1 ? 
ATOM   1571 C  C   . ILE A 1 216 ? 17.648  3.823   -5.122  1.000 6.883  0 216 ILE A C   1 ? 
ATOM   1572 O  O   . ILE A 1 216 ? 17.562  3.992   -3.920  1.000 6.845  0 216 ILE A O   1 ? 
ATOM   1573 C  CB  . ILE A 1 216 ? 15.659  4.120   -6.672  1.000 6.793  0 216 ILE A CB  1 ? 
ATOM   1574 C  CG1 . ILE A 1 216 ? 14.813  5.120   -7.453  1.000 7.099  0 216 ILE A CG1 1 ? 
ATOM   1575 C  CG2 . ILE A 1 216 ? 14.894  3.389   -5.569  1.000 7.010  0 216 ILE A CG2 1 ? 
ATOM   1576 C  CD1 . ILE A 1 216 ? 13.663  4.483   -8.262  1.000 7.448  0 216 ILE A CD1 1 ? 
ATOM   1577 N  N   . LYS A 1 217 ? 18.360  2.835   -5.652  1.000 7.443  0 217 LYS A N   1 ? 
ATOM   1578 C  CA  . LYS A 1 217 ? 18.974  1.810   -4.810  1.000 8.888  0 217 LYS A CA  1 ? 
ATOM   1579 C  C   . LYS A 1 217 ? 20.055  2.427   -3.947  1.000 8.425  0 217 LYS A C   1 ? 
ATOM   1580 O  O   . LYS A 1 217 ? 20.123  2.151   -2.746  1.000 8.830  0 217 LYS A O   1 ? 
ATOM   1581 C  CB  . LYS A 1 217 ? 19.533  0.692   -5.689  1.000 10.585 0 217 LYS A CB  1 ? 
ATOM   1582 C  CG  . LYS A 1 217 ? 18.404  -0.165  -6.247  1.000 14.227 0 217 LYS A CG  1 ? 
ATOM   1583 C  CD  . LYS A 1 217 ? 18.893  -1.284  -7.157  1.000 19.451 0 217 LYS A CD  1 ? 
ATOM   1584 C  CE  . LYS A 1 217 ? 17.735  -2.182  -7.566  1.000 24.203 0 217 LYS A CE  1 ? 
ATOM   1585 N  NZ  . LYS A 1 217 ? 17.397  -3.107  -6.459  1.000 28.755 0 217 LYS A NZ  1 ? 
ATOM   1586 N  N   . GLN A 1 218 ? 20.873  3.331   -4.494  1.000 9.072  0 218 GLN A N   1 ? 
ATOM   1587 C  CA  . GLN A 1 218 ? 21.956  3.865   -3.681  1.000 9.333  0 218 GLN A CA  1 ? 
ATOM   1588 C  C   . GLN A 1 218 ? 21.409  4.824   -2.624  1.000 9.009  0 218 GLN A C   1 ? 
ATOM   1589 O  O   . GLN A 1 218 ? 21.933  4.898   -1.506  1.000 9.274  0 218 GLN A O   1 ? 
ATOM   1590 C  CB  . GLN A 1 218 ? 23.044  4.455   -4.578  1.000 13.164 0 218 GLN A CB  1 ? 
ATOM   1591 C  CG  . GLN A 1 218 ? 22.709  5.781   -5.157  1.000 15.879 0 218 GLN A CG  1 ? 
ATOM   1592 C  CD  . GLN A 1 218 ? 23.181  6.970   -4.351  1.000 17.973 0 218 GLN A CD  1 ? 
ATOM   1593 O  OE1 . GLN A 1 218 ? 23.682  6.834   -3.227  1.000 19.455 0 218 GLN A OE1 1 ? 
ATOM   1594 N  NE2 . GLN A 1 218 ? 22.931  8.150   -4.904  1.000 17.844 0 218 GLN A NE2 1 ? 
ATOM   1595 N  N   . THR A 1 219 ? 20.311  5.533   -2.958  1.000 7.910  0 219 THR A N   1 ? 
ATOM   1596 C  CA  . THR A 1 219 ? 19.708  6.469   -2.024  1.000 8.725  0 219 THR A CA  1 ? 
ATOM   1597 C  C   . THR A 1 219 ? 19.145  5.682   -0.843  1.000 9.130  0 219 THR A C   1 ? 
ATOM   1598 O  O   . THR A 1 219 ? 19.381  6.010   0.338   1.000 9.273  0 219 THR A O   1 ? 
ATOM   1599 C  CB  . THR A 1 219 ? 18.644  7.356   -2.694  1.000 8.491  0 219 THR A CB  1 ? 
ATOM   1600 O  OG1 . THR A 1 219 ? 19.287  8.116   -3.718  1.000 8.108  0 219 THR A OG1 1 ? 
ATOM   1601 C  CG2 . THR A 1 219 ? 17.915  8.203   -1.652  1.000 8.374  0 219 THR A CG2 1 ? 
ATOM   1602 N  N   . ILE A 1 220 ? 18.387  4.608   -1.129  1.000 8.701  0 220 ILE A N   1 ? 
ATOM   1603 C  CA  . ILE A 1 220 ? 17.868  3.749   -0.062  1.000 9.225  0 220 ILE A CA  1 ? 
ATOM   1604 C  C   . ILE A 1 220 ? 19.002  3.207   0.802   1.000 10.362 0 220 ILE A C   1 ? 
ATOM   1605 O  O   . ILE A 1 220 ? 18.863  3.130   2.029   1.000 12.483 0 220 ILE A O   1 ? 
ATOM   1606 C  CB  . ILE A 1 220 ? 16.995  2.635   -0.657  1.000 10.228 0 220 ILE A CB  1 ? 
ATOM   1607 C  CG1 . ILE A 1 220 ? 15.717  3.237   -1.219  1.000 11.736 0 220 ILE A CG1 1 ? 
ATOM   1608 C  CG2 . ILE A 1 220 ? 16.740  1.541   0.378   1.000 10.438 0 220 ILE A CG2 1 ? 
ATOM   1609 C  CD1 . ILE A 1 220 ? 14.880  2.278   -2.063  1.000 13.130 0 220 ILE A CD1 1 ? 
ATOM   1610 N  N   . ALA A 1 221 ? 20.095  2.785   0.167   1.000 9.372  0 221 ALA A N   1 ? 
ATOM   1611 C  CA  . ALA A 1 221 ? 21.164  2.120   0.902   1.000 10.204 0 221 ALA A CA  1 ? 
ATOM   1612 C  C   . ALA A 1 221 ? 21.832  3.058   1.901   1.000 10.806 0 221 ALA A C   1 ? 
ATOM   1613 O  O   . ALA A 1 221 ? 22.572  2.580   2.774   1.000 11.166 0 221 ALA A O   1 ? 
ATOM   1614 C  CB  . ALA A 1 221 ? 22.195  1.606   -0.048  1.000 10.463 0 221 ALA A CB  1 ? 
ATOM   1615 N  N   . SER A 1 222 ? 21.703  4.376   1.707   1.000 10.872 0 222 SER A N   1 ? 
ATOM   1616 C  CA  . SER A 1 222 ? 22.425  5.340   2.521   1.000 11.531 0 222 SER A CA  1 ? 
ATOM   1617 C  C   . SER A 1 222 ? 21.525  6.233   3.350   1.000 12.080 0 222 SER A C   1 ? 
ATOM   1618 O  O   . SER A 1 222 ? 21.976  7.228   3.935   1.000 12.018 0 222 SER A O   1 ? 
ATOM   1619 C  CB  . SER A 1 222 ? 23.369  6.164   1.731   1.000 15.089 0 222 SER A CB  1 ? 
ATOM   1620 O  OG  . SER A 1 222 ? 24.480  5.348   1.378   1.000 18.064 0 222 SER A OG  1 ? 
ATOM   1621 N  N   . ASN A 1 223 ? 20.243  5.907   3.415   1.000 11.111 0 223 ASN A N   1 ? 
ATOM   1622 C  CA  . ASN A 1 223 ? 19.270  6.763   4.093   1.000 12.033 0 223 ASN A CA  1 ? 
ATOM   1623 C  C   . ASN A 1 223 ? 18.309  5.902   4.925   1.000 13.956 0 223 ASN A C   1 ? 
ATOM   1624 O  O   . ASN A 1 223 ? 17.386  6.501   5.445   1.000 16.430 0 223 ASN A O   1 ? 
ATOM   1625 C  CB  . ASN A 1 223 ? 18.542  7.670   3.111   1.000 11.666 0 223 ASN A CB  1 ? 
ATOM   1626 C  CG  . ASN A 1 223 ? 19.392  8.803   2.597   1.000 11.876 0 223 ASN A CG  1 ? 
ATOM   1627 O  OD1 . ASN A 1 223 ? 19.505  9.860   3.248   1.000 12.818 0 223 ASN A OD1 1 ? 
ATOM   1628 N  ND2 . ASN A 1 223 ? 19.962  8.613   1.415   1.000 11.592 0 223 ASN A ND2 1 ? 
ATOM   1629 O  OXT . ASN A 1 223 ? 18.487  4.690   4.976   1.000 15.413 0 223 ASN A OXT 1 ? 
HETATM 1630 CA CA  . CA  B 2 .   ? -10.069 4.470   3.183   1.000 5.669  0 301 CA  A CA  1 ? 
HETATM 1631 C  C1  . BEN C 3 .   ? -1.732  14.363  -17.033 1.000 9.035  0 302 BEN A C1  1 ? 
HETATM 1632 C  C2  . BEN C 3 .   ? -1.343  13.717  -15.886 1.000 8.970  0 302 BEN A C2  1 ? 
HETATM 1633 C  C3  . BEN C 3 .   ? -1.053  14.385  -14.708 1.000 9.472  0 302 BEN A C3  1 ? 
HETATM 1634 C  C4  . BEN C 3 .   ? -1.068  15.747  -14.698 1.000 10.114 0 302 BEN A C4  1 ? 
HETATM 1635 C  C5  . BEN C 3 .   ? -1.343  16.419  -15.869 1.000 10.539 0 302 BEN A C5  1 ? 
HETATM 1636 C  C6  . BEN C 3 .   ? -1.681  15.746  -17.028 1.000 10.051 0 302 BEN A C6  1 ? 
HETATM 1637 C  C   . BEN C 3 .   ? -2.086  13.584  -18.260 1.000 7.923  0 302 BEN A C   1 ? 
HETATM 1638 N  N1  . BEN C 3 .   ? -1.695  12.327  -18.416 1.000 7.291  0 302 BEN A N1  1 ? 
HETATM 1639 N  N2  . BEN C 3 .   ? -2.808  14.144  -19.240 1.000 7.996  0 302 BEN A N2  1 ? 
HETATM 1640 C  C1  . GOL D 4 .   ? -1.986  16.977  -10.213 1.000 24.924 0 303 GOL A C1  1 ? 
HETATM 1641 O  O1  . GOL D 4 .   ? -1.691  15.952  -9.260  1.000 30.122 0 303 GOL A O1  1 ? 
HETATM 1642 C  C2  . GOL D 4 .   ? -0.817  17.901  -10.426 1.000 27.624 0 303 GOL A C2  1 ? 
HETATM 1643 O  O2  . GOL D 4 .   ? 0.070   17.745  -9.327  1.000 32.804 0 303 GOL A O2  1 ? 
HETATM 1644 C  C3  . GOL D 4 .   ? -0.080  17.629  -11.714 1.000 24.580 0 303 GOL A C3  1 ? 
HETATM 1645 O  O3  . GOL D 4 .   ? -0.226  18.688  -12.648 1.000 28.461 0 303 GOL A O3  1 ? 
HETATM 1646 O  O   . HOH E 5 .   ? -3.625  1.010   10.151  1.000 42.875 0 401 HOH A O   1 ? 
HETATM 1647 O  O   . HOH E 5 .   ? 6.498   -6.932  -20.693 1.000 25.524 0 402 HOH A O   1 ? 
HETATM 1648 O  O   . HOH E 5 .   ? 14.984  -3.840  -22.136 1.000 29.822 0 403 HOH A O   1 ? 
HETATM 1649 O  O   . HOH E 5 .   ? -11.015 13.607  -25.353 1.000 35.639 0 404 HOH A O   1 ? 
HETATM 1650 O  O   . HOH E 5 .   ? 18.617  1.512   3.876   1.000 19.383 0 405 HOH A O   1 ? 
HETATM 1651 O  O   . HOH E 5 .   ? 12.473  7.252   8.897   1.000 23.728 0 406 HOH A O   1 ? 
HETATM 1652 O  O   . HOH E 5 .   ? 24.493  4.647   -1.028  1.000 21.150 0 407 HOH A O   1 ? 
HETATM 1653 O  O   . HOH E 5 .   ? -14.463 0.517   -1.342  1.000 16.661 0 408 HOH A O   1 ? 
HETATM 1654 O  O   . HOH E 5 .   ? -10.186 2.334   2.085   1.000 5.214  0 409 HOH A O   1 ? 
HETATM 1655 O  O   . HOH E 5 .   ? -5.276  -11.995 1.192   1.000 21.372 0 410 HOH A O   1 ? 
HETATM 1656 O  O   . HOH E 5 .   ? 18.567  9.936   -19.528 1.000 27.220 0 411 HOH A O   1 ? 
HETATM 1657 O  O   . HOH E 5 .   ? 12.796  1.758   -23.410 1.000 27.562 0 412 HOH A O   1 ? 
HETATM 1658 O  O   . HOH E 5 .   ? -17.273 12.013  -3.558  1.000 23.485 0 413 HOH A O   1 ? 
HETATM 1659 O  O   . HOH E 5 .   ? -18.185 14.361  -8.692  1.000 31.115 0 414 HOH A O   1 ? 
HETATM 1660 O  O   . HOH E 5 .   ? 10.645  -2.753  -5.191  1.000 15.015 0 415 HOH A O   1 ? 
HETATM 1661 O  O   . HOH E 5 .   ? -13.683 0.042   -5.375  1.000 7.875  0 416 HOH A O   1 ? 
HETATM 1662 O  O   . HOH E 5 .   ? -6.127  17.856  -28.920 1.000 22.290 0 417 HOH A O   1 ? 
HETATM 1663 O  O   . HOH E 5 .   ? -1.963  8.032   -20.474 1.000 6.284  0 418 HOH A O   1 ? 
HETATM 1664 O  O   . HOH E 5 .   ? 4.264   12.191  12.587  1.000 33.063 0 419 HOH A O   1 ? 
HETATM 1665 O  O   . HOH E 5 .   ? -3.460  -5.002  -10.022 1.000 19.225 0 420 HOH A O   1 ? 
HETATM 1666 O  O   . HOH E 5 .   ? 7.444   -4.419  7.766   1.000 24.932 0 421 HOH A O   1 ? 
HETATM 1667 O  O   . HOH E 5 .   ? 8.475   -3.643  -22.475 1.000 19.894 0 422 HOH A O   1 ? 
HETATM 1668 O  O   . HOH E 5 .   ? -7.189  -4.277  -13.051 1.000 21.375 0 423 HOH A O   1 ? 
HETATM 1669 O  O   . HOH E 5 .   ? -18.154 19.650  -20.568 1.000 40.417 0 424 HOH A O   1 ? 
HETATM 1670 O  O   . HOH E 5 .   ? 16.550  5.705   -21.124 1.000 20.378 0 425 HOH A O   1 ? 
HETATM 1671 O  O   . HOH E 5 .   ? 7.981   15.898  2.611   1.000 21.751 0 426 HOH A O   1 ? 
HETATM 1672 O  O   . HOH E 5 .   ? -7.852  0.498   -22.086 1.000 19.487 0 427 HOH A O   1 ? 
HETATM 1673 O  O   . HOH E 5 .   ? -10.795 -6.736  -2.723  1.000 24.991 0 428 HOH A O   1 ? 
HETATM 1674 O  O   . HOH E 5 .   ? -8.094  18.416  -14.425 1.000 25.185 0 429 HOH A O   1 ? 
HETATM 1675 O  O   . HOH E 5 .   ? -13.903 8.916   -17.150 1.000 12.319 0 430 HOH A O   1 ? 
HETATM 1676 O  O   . HOH E 5 .   ? 12.933  -6.543  -11.430 1.000 27.457 0 431 HOH A O   1 ? 
HETATM 1677 O  O   . HOH E 5 .   ? -10.335 -5.259  -11.573 1.000 32.985 0 432 HOH A O   1 ? 
HETATM 1678 O  O   . HOH E 5 .   ? -16.907 13.418  -6.671  1.000 40.206 0 433 HOH A O   1 ? 
HETATM 1679 O  O   . HOH E 5 .   ? 10.986  2.749   -17.097 1.000 7.783  0 434 HOH A O   1 ? 
HETATM 1680 O  O   . HOH E 5 .   ? 8.846   4.831   -34.414 1.000 36.902 0 435 HOH A O   1 ? 
HETATM 1681 O  O   . HOH E 5 .   ? -6.003  -0.921  9.067   1.000 19.087 0 436 HOH A O   1 ? 
HETATM 1682 O  O   . HOH E 5 .   ? -16.754 10.637  -14.105 1.000 19.729 0 437 HOH A O   1 ? 
HETATM 1683 O  O   . HOH E 5 .   ? 15.384  20.624  -18.129 1.000 11.407 0 438 HOH A O   1 ? 
HETATM 1684 O  O   . HOH E 5 .   ? -12.577 11.700  -3.206  1.000 22.325 0 439 HOH A O   1 ? 
HETATM 1685 O  O   . HOH E 5 .   ? -4.364  -1.555  -1.244  1.000 8.315  0 440 HOH A O   1 ? 
HETATM 1686 O  O   . HOH E 5 .   ? 12.454  8.840   -24.062 1.000 21.297 0 441 HOH A O   1 ? 
HETATM 1687 O  O   . HOH E 5 .   ? 7.545   21.356  -8.923  1.000 12.164 0 442 HOH A O   1 ? 
HETATM 1688 O  O   . HOH E 5 .   ? -9.391  -3.853  10.005  1.000 37.330 0 443 HOH A O   1 ? 
HETATM 1689 O  O   . HOH E 5 .   ? 6.265   20.964  -21.897 1.000 22.886 0 444 HOH A O   1 ? 
HETATM 1690 O  O   . HOH E 5 .   ? 9.792   8.514   -25.461 1.000 22.416 0 445 HOH A O   1 ? 
HETATM 1691 O  O   . HOH E 5 .   ? 0.934   9.917   10.760  1.000 16.514 0 446 HOH A O   1 ? 
HETATM 1692 O  O   . HOH E 5 .   ? 5.636   5.181   -34.238 1.000 27.030 0 447 HOH A O   1 ? 
HETATM 1693 O  O   . HOH E 5 .   ? 5.937   20.724  -5.451  1.000 29.251 0 448 HOH A O   1 ? 
HETATM 1694 O  O   . HOH E 5 .   ? -8.504  18.364  -20.206 1.000 15.763 0 449 HOH A O   1 ? 
HETATM 1695 O  O   . HOH E 5 .   ? -16.310 1.683   7.236   1.000 29.401 0 450 HOH A O   1 ? 
HETATM 1696 O  O   . HOH E 5 .   ? 1.279   -2.012  11.054  1.000 32.709 0 451 HOH A O   1 ? 
HETATM 1697 O  O   . HOH E 5 .   ? 14.818  7.230   -23.118 1.000 23.096 0 452 HOH A O   1 ? 
HETATM 1698 O  O   . HOH E 5 .   ? -3.973  11.366  -26.521 1.000 13.029 0 453 HOH A O   1 ? 
HETATM 1699 O  O   . HOH E 5 .   ? 8.682   4.082   -26.170 1.000 20.009 0 454 HOH A O   1 ? 
HETATM 1700 O  O   . HOH E 5 .   ? -6.860  2.117   -29.519 1.000 23.383 0 455 HOH A O   1 ? 
HETATM 1701 O  O   . HOH E 5 .   ? 8.741   -5.391  -4.454  1.000 27.807 0 456 HOH A O   1 ? 
HETATM 1702 O  O   . HOH E 5 .   ? 12.874  -3.343  -23.417 1.000 35.452 0 457 HOH A O   1 ? 
HETATM 1703 O  O   . HOH E 5 .   ? 4.278   1.156   10.665  1.000 15.319 0 458 HOH A O   1 ? 
HETATM 1704 O  O   . HOH E 5 .   ? 0.543   -4.281  -15.892 1.000 26.697 0 459 HOH A O   1 ? 
HETATM 1705 O  O   . HOH E 5 .   ? -0.077  18.149  6.336   1.000 29.819 0 460 HOH A O   1 ? 
HETATM 1706 O  O   . HOH E 5 .   ? 12.603  9.190   -31.706 1.000 27.416 0 461 HOH A O   1 ? 
HETATM 1707 O  O   . HOH E 5 .   ? -3.823  -7.131  -3.769  1.000 11.747 0 462 HOH A O   1 ? 
HETATM 1708 O  O   . HOH E 5 .   ? 8.735   16.695  -32.549 1.000 24.317 0 463 HOH A O   1 ? 
HETATM 1709 O  O   . HOH E 5 .   ? 3.031   -8.097  0.546   1.000 15.925 0 464 HOH A O   1 ? 
HETATM 1710 O  O   . HOH E 5 .   ? 19.418  13.625  4.604   1.000 23.704 0 465 HOH A O   1 ? 
HETATM 1711 O  O   . HOH E 5 .   ? 18.666  9.598   -16.534 1.000 27.625 0 466 HOH A O   1 ? 
HETATM 1712 O  O   . HOH E 5 .   ? -10.178 11.946  -5.605  1.000 13.728 0 467 HOH A O   1 ? 
HETATM 1713 O  O   . HOH E 5 .   ? -13.547 9.229   -21.886 1.000 20.156 0 468 HOH A O   1 ? 
HETATM 1714 O  O   . HOH E 5 .   ? -3.013  -3.046  5.897   1.000 12.664 0 469 HOH A O   1 ? 
HETATM 1715 O  O   . HOH E 5 .   ? 17.185  9.080   6.432   1.000 25.862 0 470 HOH A O   1 ? 
HETATM 1716 O  O   . HOH E 5 .   ? 5.033   6.028   -8.449  1.000 8.822  0 471 HOH A O   1 ? 
HETATM 1717 O  O   . HOH E 5 .   ? 18.224  19.553  -14.462 1.000 12.414 0 472 HOH A O   1 ? 
HETATM 1718 O  O   . HOH E 5 .   ? -11.267 0.564   -6.758  1.000 5.888  0 473 HOH A O   1 ? 
HETATM 1719 O  O   . HOH E 5 .   ? 21.647  11.337  4.027   1.000 20.401 0 474 HOH A O   1 ? 
HETATM 1720 O  O   . HOH E 5 .   ? 9.025   26.135  -12.003 1.000 13.051 0 475 HOH A O   1 ? 
HETATM 1721 O  O   . HOH E 5 .   ? -6.077  -3.318  9.376   1.000 38.856 0 476 HOH A O   1 ? 
HETATM 1722 O  O   . HOH E 5 .   ? -3.549  17.201  -6.884  1.000 34.617 0 477 HOH A O   1 ? 
HETATM 1723 O  O   . HOH E 5 .   ? 19.758  3.745   7.184   1.000 17.659 0 478 HOH A O   1 ? 
HETATM 1724 O  O   . HOH E 5 .   ? 10.152  19.214  -21.125 1.000 11.049 0 479 HOH A O   1 ? 
HETATM 1725 O  O   . HOH E 5 .   ? -6.616  9.201   -24.758 1.000 20.002 0 480 HOH A O   1 ? 
HETATM 1726 O  O   . HOH E 5 .   ? -17.601 1.717   -9.632  1.000 26.657 0 481 HOH A O   1 ? 
HETATM 1727 O  O   . HOH E 5 .   ? -9.131  8.530   -10.972 1.000 6.283  0 482 HOH A O   1 ? 
HETATM 1728 O  O   . HOH E 5 .   ? 14.135  12.765  -26.306 1.000 33.663 0 483 HOH A O   1 ? 
HETATM 1729 O  O   . HOH E 5 .   ? -0.794  0.573   -11.397 1.000 5.583  0 484 HOH A O   1 ? 
HETATM 1730 O  O   . HOH E 5 .   ? -9.802  17.565  -17.193 1.000 27.078 0 485 HOH A O   1 ? 
HETATM 1731 O  O   . HOH E 5 .   ? -1.952  7.859   -8.909  1.000 3.534  0 486 HOH A O   1 ? 
HETATM 1732 O  O   . HOH E 5 .   ? -10.112 -2.004  2.070   1.000 9.785  0 487 HOH A O   1 ? 
HETATM 1733 O  O   . HOH E 5 .   ? 2.166   -5.890  -23.221 1.000 32.130 0 488 HOH A O   1 ? 
HETATM 1734 O  O   . HOH E 5 .   ? 0.519   7.322   11.795  1.000 18.583 0 489 HOH A O   1 ? 
HETATM 1735 O  O   . HOH E 5 .   ? 19.081  12.317  -14.985 1.000 23.474 0 490 HOH A O   1 ? 
HETATM 1736 O  O   . HOH E 5 .   ? -4.177  -7.035  -19.159 1.000 22.521 0 491 HOH A O   1 ? 
HETATM 1737 O  O   . HOH E 5 .   ? -10.893 1.667   -19.797 1.000 17.116 0 492 HOH A O   1 ? 
HETATM 1738 O  O   . HOH E 5 .   ? 1.362   19.571  -18.690 1.000 28.248 0 493 HOH A O   1 ? 
HETATM 1739 O  O   . HOH E 5 .   ? 21.774  13.862  -11.294 1.000 34.986 0 494 HOH A O   1 ? 
HETATM 1740 O  O   . HOH E 5 .   ? 8.584   20.126  -6.481  1.000 14.603 0 495 HOH A O   1 ? 
HETATM 1741 O  O   . HOH E 5 .   ? 8.214   -4.341  -17.490 1.000 11.017 0 496 HOH A O   1 ? 
HETATM 1742 O  O   . HOH E 5 .   ? 5.739   -7.354  -3.253  1.000 15.806 0 497 HOH A O   1 ? 
HETATM 1743 O  O   . HOH E 5 .   ? 4.640   21.299  -8.473  1.000 29.762 0 498 HOH A O   1 ? 
HETATM 1744 O  O   . HOH E 5 .   ? 5.559   10.519  -35.377 1.000 32.687 0 499 HOH A O   1 ? 
HETATM 1745 O  O   . HOH E 5 .   ? 19.374  -0.359  -1.926  1.000 14.057 0 500 HOH A O   1 ? 
HETATM 1746 O  O   . HOH E 5 .   ? -3.374  18.774  -17.804 1.000 20.926 0 501 HOH A O   1 ? 
HETATM 1747 O  O   . HOH E 5 .   ? 1.892   17.825  -14.251 1.000 11.492 0 502 HOH A O   1 ? 
HETATM 1748 O  O   . HOH E 5 .   ? -13.035 4.316   -21.864 1.000 18.368 0 503 HOH A O   1 ? 
HETATM 1749 O  O   . HOH E 5 .   ? 1.673   0.572   9.791   1.000 15.041 0 504 HOH A O   1 ? 
HETATM 1750 O  O   . HOH E 5 .   ? 13.453  10.345  -25.773 1.000 25.883 0 505 HOH A O   1 ? 
HETATM 1751 O  O   . HOH E 5 .   ? -1.255  20.222  -3.131  1.000 21.726 0 506 HOH A O   1 ? 
HETATM 1752 O  O   . HOH E 5 .   ? 16.303  3.092   4.472   1.000 20.613 0 507 HOH A O   1 ? 
HETATM 1753 O  O   . HOH E 5 .   ? -3.223  3.374   -0.564  1.000 5.225  0 508 HOH A O   1 ? 
HETATM 1754 O  O   . HOH E 5 .   ? -3.665  8.875   -23.486 1.000 8.629  0 509 HOH A O   1 ? 
HETATM 1755 O  O   . HOH E 5 .   ? 2.108   11.486  -32.249 1.000 17.211 0 510 HOH A O   1 ? 
HETATM 1756 O  O   . HOH E 5 .   ? 2.355   1.662   -28.978 1.000 15.174 0 511 HOH A O   1 ? 
HETATM 1757 O  O   . HOH E 5 .   ? -4.468  15.132  -22.959 1.000 10.955 0 512 HOH A O   1 ? 
HETATM 1758 O  O   . HOH E 5 .   ? -7.918  0.154   -3.721  1.000 6.580  0 513 HOH A O   1 ? 
HETATM 1759 O  O   . HOH E 5 .   ? 9.474   -5.262  -0.162  1.000 16.322 0 514 HOH A O   1 ? 
HETATM 1760 O  O   . HOH E 5 .   ? 0.003   16.897  -30.635 1.000 24.825 0 515 HOH A O   1 ? 
HETATM 1761 O  O   . HOH E 5 .   ? 23.457  -0.035  2.890   1.000 22.791 0 516 HOH A O   1 ? 
HETATM 1762 O  O   . HOH E 5 .   ? -6.293  17.427  -8.552  1.000 30.717 0 517 HOH A O   1 ? 
HETATM 1763 O  O   . HOH E 5 .   ? 6.517   -2.430  10.866  1.000 39.387 0 518 HOH A O   1 ? 
HETATM 1764 O  O   . HOH E 5 .   ? 2.109   -8.181  7.849   1.000 38.878 0 519 HOH A O   1 ? 
HETATM 1765 O  O   . HOH E 5 .   ? -16.053 8.364   6.274   1.000 11.227 0 520 HOH A O   1 ? 
HETATM 1766 O  O   . HOH E 5 .   ? -1.537  22.907  -22.572 1.000 28.384 0 521 HOH A O   1 ? 
HETATM 1767 O  O   . HOH E 5 .   ? -0.248  -8.521  -3.015  1.000 14.970 0 522 HOH A O   1 ? 
HETATM 1768 O  O   . HOH E 5 .   ? 4.801   5.737   12.360  1.000 24.998 0 523 HOH A O   1 ? 
HETATM 1769 O  O   . HOH E 5 .   ? 12.350  22.842  -26.942 1.000 23.855 0 524 HOH A O   1 ? 
HETATM 1770 O  O   . HOH E 5 .   ? 8.727   14.119  -16.663 1.000 7.150  0 525 HOH A O   1 ? 
HETATM 1771 O  O   . HOH E 5 .   ? 7.753   -9.687  -15.583 1.000 27.741 0 526 HOH A O   1 ? 
HETATM 1772 O  O   . HOH E 5 .   ? -7.425  9.010   2.651   1.000 5.633  0 527 HOH A O   1 ? 
HETATM 1773 O  O   . HOH E 5 .   ? -9.925  -5.774  0.055   1.000 18.852 0 528 HOH A O   1 ? 
HETATM 1774 O  O   . HOH E 5 .   ? -6.814  -4.014  -10.423 1.000 25.939 0 529 HOH A O   1 ? 
HETATM 1775 O  O   . HOH E 5 .   ? -16.415 -0.136  2.609   1.000 33.251 0 530 HOH A O   1 ? 
HETATM 1776 O  O   . HOH E 5 .   ? -0.383  -6.691  8.002   1.000 23.814 0 531 HOH A O   1 ? 
HETATM 1777 O  O   . HOH E 5 .   ? 20.549  0.299   -12.869 1.000 40.305 0 532 HOH A O   1 ? 
HETATM 1778 O  O   . HOH E 5 .   ? -9.301  6.357   4.371   1.000 6.622  0 533 HOH A O   1 ? 
HETATM 1779 O  O   . HOH E 5 .   ? 12.729  -1.654  4.208   1.000 19.443 0 534 HOH A O   1 ? 
HETATM 1780 O  O   . HOH E 5 .   ? -0.226  15.107  6.826   1.000 20.004 0 535 HOH A O   1 ? 
HETATM 1781 O  O   . HOH E 5 .   ? 1.389   -5.313  -17.790 1.000 29.672 0 536 HOH A O   1 ? 
HETATM 1782 O  O   . HOH E 5 .   ? 9.888   16.139  -27.904 1.000 11.156 0 537 HOH A O   1 ? 
HETATM 1783 O  O   . HOH E 5 .   ? -5.759  10.602  1.122   1.000 6.183  0 538 HOH A O   1 ? 
HETATM 1784 O  O   . HOH E 5 .   ? 10.173  1.714   -27.318 1.000 24.992 0 539 HOH A O   1 ? 
HETATM 1785 O  O   . HOH E 5 .   ? -2.369  3.524   -28.290 1.000 11.736 0 540 HOH A O   1 ? 
HETATM 1786 O  O   . HOH E 5 .   ? -0.769  -4.363  -10.842 1.000 12.462 0 541 HOH A O   1 ? 
HETATM 1787 O  O   . HOH E 5 .   ? 5.470   13.919  7.570   1.000 16.499 0 542 HOH A O   1 ? 
HETATM 1788 O  O   . HOH E 5 .   ? 6.002   8.134   -35.036 1.000 27.008 0 543 HOH A O   1 ? 
HETATM 1789 O  O   . HOH E 5 .   ? -10.848 -6.341  4.162   1.000 31.600 0 544 HOH A O   1 ? 
HETATM 1790 O  O   . HOH E 5 .   ? -8.926  0.161   3.325   1.000 6.785  0 545 HOH A O   1 ? 
HETATM 1791 O  O   . HOH E 5 .   ? 22.913  1.796   -7.086  1.000 19.536 0 546 HOH A O   1 ? 
HETATM 1792 O  O   . HOH E 5 .   ? 2.482   20.632  -23.830 1.000 20.821 0 547 HOH A O   1 ? 
HETATM 1793 O  O   . HOH E 5 .   ? 10.667  24.826  -8.329  1.000 15.917 0 548 HOH A O   1 ? 
HETATM 1794 O  O   . HOH E 5 .   ? -8.375  0.974   9.162   1.000 19.326 0 549 HOH A O   1 ? 
HETATM 1795 O  O   . HOH E 5 .   ? -11.878 6.459   -15.076 1.000 10.410 0 550 HOH A O   1 ? 
HETATM 1796 O  O   . HOH E 5 .   ? 17.428  20.336  -9.065  1.000 8.497  0 551 HOH A O   1 ? 
HETATM 1797 O  O   . HOH E 5 .   ? 7.278   7.282   -25.537 1.000 9.141  0 552 HOH A O   1 ? 
HETATM 1798 O  O   . HOH E 5 .   ? 1.584   -6.039  -14.647 1.000 20.598 0 553 HOH A O   1 ? 
HETATM 1799 O  O   . HOH E 5 .   ? -14.816 1.497   -18.090 1.000 20.362 0 554 HOH A O   1 ? 
HETATM 1800 O  O   . HOH E 5 .   ? -1.052  0.502   -0.581  1.000 7.588  0 555 HOH A O   1 ? 
HETATM 1801 O  O   . HOH E 5 .   ? -10.120 12.093  2.902   1.000 11.504 0 556 HOH A O   1 ? 
HETATM 1802 O  O   . HOH E 5 .   ? 9.347   12.099  -33.851 1.000 19.093 0 557 HOH A O   1 ? 
HETATM 1803 O  O   . HOH E 5 .   ? -2.798  3.658   10.350  1.000 18.619 0 558 HOH A O   1 ? 
HETATM 1804 O  O   . HOH E 5 .   ? -15.170 10.916  -10.392 1.000 20.684 0 559 HOH A O   1 ? 
HETATM 1805 O  O   . HOH E 5 .   ? 8.657   29.226  -14.046 1.000 7.984  0 560 HOH A O   1 ? 
HETATM 1806 O  O   . HOH E 5 .   ? 12.591  -0.172  9.718   1.000 24.103 0 561 HOH A O   1 ? 
HETATM 1807 O  O   . HOH E 5 .   ? -12.318 -4.119  -12.071 1.000 15.953 0 562 HOH A O   1 ? 
HETATM 1808 O  O   . HOH E 5 .   ? -1.829  -11.119 3.488   1.000 31.305 0 563 HOH A O   1 ? 
HETATM 1809 O  O   . HOH E 5 .   ? 14.798  -1.938  7.201   1.000 21.503 0 564 HOH A O   1 ? 
HETATM 1810 O  O   . HOH E 5 .   ? 23.803  9.378   4.335   1.000 22.550 0 565 HOH A O   1 ? 
HETATM 1811 O  O   . HOH E 5 .   ? 5.260   22.314  -2.128  1.000 27.551 0 566 HOH A O   1 ? 
HETATM 1812 O  O   . HOH E 5 .   ? 5.633   -4.311  -27.306 1.000 34.451 0 567 HOH A O   1 ? 
HETATM 1813 O  O   . HOH E 5 .   ? 2.962   20.756  -27.465 1.000 17.559 0 568 HOH A O   1 ? 
HETATM 1814 O  O   . HOH E 5 .   ? -8.425  15.887  -2.469  1.000 18.280 0 569 HOH A O   1 ? 
HETATM 1815 O  O   . HOH E 5 .   ? -3.774  9.299   -7.303  1.000 4.662  0 570 HOH A O   1 ? 
HETATM 1816 O  O   . HOH E 5 .   ? 16.017  -3.481  -10.391 1.000 23.499 0 571 HOH A O   1 ? 
HETATM 1817 O  O   . HOH E 5 .   ? 20.335  6.037   -16.222 1.000 31.546 0 572 HOH A O   1 ? 
HETATM 1818 O  O   . HOH E 5 .   ? 16.387  15.392  1.661   1.000 14.018 0 573 HOH A O   1 ? 
HETATM 1819 O  O   . HOH E 5 .   ? 2.765   -5.725  -5.592  1.000 30.031 0 574 HOH A O   1 ? 
HETATM 1820 O  O   . HOH E 5 .   ? 19.607  9.414   -11.561 1.000 10.601 0 575 HOH A O   1 ? 
HETATM 1821 O  O   . HOH E 5 .   ? -5.860  -7.732  -15.296 1.000 17.623 0 576 HOH A O   1 ? 
HETATM 1822 O  O   . HOH E 5 .   ? 1.954   5.869   -31.586 1.000 28.519 0 577 HOH A O   1 ? 
HETATM 1823 O  O   . HOH E 5 .   ? 6.556   15.300  4.710   1.000 20.474 0 578 HOH A O   1 ? 
HETATM 1824 O  O   . HOH E 5 .   ? 7.121   -8.483  -10.295 1.000 34.797 0 579 HOH A O   1 ? 
HETATM 1825 O  O   . HOH E 5 .   ? -10.998 6.262   -26.078 1.000 34.864 0 580 HOH A O   1 ? 
HETATM 1826 O  O   . HOH E 5 .   ? 13.109  17.128  -26.725 1.000 43.906 0 581 HOH A O   1 ? 
HETATM 1827 O  O   . HOH E 5 .   ? 0.938   20.825  -25.778 1.000 22.825 0 582 HOH A O   1 ? 
HETATM 1828 O  O   . HOH E 5 .   ? -5.576  -0.983  -4.585  1.000 6.398  0 583 HOH A O   1 ? 
HETATM 1829 O  O   . HOH E 5 .   ? -8.918  13.486  0.382   1.000 9.752  0 584 HOH A O   1 ? 
HETATM 1830 O  O   . HOH E 5 .   ? -14.391 -2.994  -9.777  1.000 31.137 0 585 HOH A O   1 ? 
HETATM 1831 O  O   . HOH E 5 .   ? -11.387 19.422  -17.654 1.000 35.810 0 586 HOH A O   1 ? 
HETATM 1832 O  O   . HOH E 5 .   ? 3.743   7.998   11.369  1.000 15.495 0 587 HOH A O   1 ? 
HETATM 1833 O  O   . HOH E 5 .   ? -2.674  5.559   -30.022 1.000 13.634 0 588 HOH A O   1 ? 
HETATM 1834 O  O   . HOH E 5 .   ? 17.993  3.174   -18.571 1.000 18.836 0 589 HOH A O   1 ? 
HETATM 1835 O  O   . HOH E 5 .   ? -14.349 13.245  -4.146  1.000 13.244 0 590 HOH A O   1 ? 
HETATM 1836 O  O   . HOH E 5 .   ? 13.513  22.439  -10.230 1.000 8.147  0 591 HOH A O   1 ? 
HETATM 1837 O  O   . HOH E 5 .   ? 3.461   3.776   -30.694 1.000 15.181 0 592 HOH A O   1 ? 
HETATM 1838 O  O   . HOH E 5 .   ? -17.442 10.337  -5.868  1.000 41.908 0 593 HOH A O   1 ? 
HETATM 1839 O  O   . HOH E 5 .   ? -8.987  1.804   -26.633 1.000 28.385 0 594 HOH A O   1 ? 
HETATM 1840 O  O   . HOH E 5 .   ? -4.203  0.927   -2.645  1.000 6.917  0 595 HOH A O   1 ? 
HETATM 1841 O  O   . HOH E 5 .   ? 17.883  22.189  -14.654 1.000 15.848 0 596 HOH A O   1 ? 
HETATM 1842 O  O   . HOH E 5 .   ? -4.739  19.686  -24.711 1.000 34.986 0 597 HOH A O   1 ? 
HETATM 1843 O  O   . HOH E 5 .   ? 12.961  29.329  -13.372 1.000 16.254 0 598 HOH A O   1 ? 
HETATM 1844 O  O   . HOH E 5 .   ? 10.413  5.660   -31.927 1.000 17.075 0 599 HOH A O   1 ? 
HETATM 1845 O  O   . HOH E 5 .   ? -14.695 5.568   -17.785 1.000 25.343 0 600 HOH A O   1 ? 
HETATM 1846 O  O   . HOH E 5 .   ? -9.566  16.072  -27.865 1.000 23.900 0 601 HOH A O   1 ? 
HETATM 1847 O  O   . HOH E 5 .   ? -14.957 6.343   7.825   1.000 9.187  0 602 HOH A O   1 ? 
HETATM 1848 O  O   . HOH E 5 .   ? 18.045  15.055  -19.838 1.000 25.611 0 603 HOH A O   1 ? 
HETATM 1849 O  O   . HOH E 5 .   ? 19.190  15.576  -16.204 1.000 15.671 0 604 HOH A O   1 ? 
HETATM 1850 O  O   . HOH E 5 .   ? -20.292 13.022  -13.060 1.000 40.670 0 605 HOH A O   1 ? 
HETATM 1851 O  O   . HOH E 5 .   ? -8.087  13.789  4.060   1.000 9.702  0 606 HOH A O   1 ? 
HETATM 1852 O  O   . HOH E 5 .   ? 12.635  -4.092  -6.737  1.000 20.408 0 607 HOH A O   1 ? 
HETATM 1853 O  O   . HOH E 5 .   ? 5.990   -6.590  6.848   1.000 23.467 0 608 HOH A O   1 ? 
HETATM 1854 O  O   . HOH E 5 .   ? 0.891   11.432  -17.214 1.000 8.843  0 609 HOH A O   1 ? 
HETATM 1855 O  O   . HOH E 5 .   ? -4.516  11.479  -23.741 1.000 8.909  0 610 HOH A O   1 ? 
HETATM 1856 O  O   . HOH E 5 .   ? -7.126  13.768  -6.972  1.000 28.451 0 611 HOH A O   1 ? 
HETATM 1857 O  O   . HOH E 5 .   ? 10.797  2.127   -19.863 1.000 11.422 0 612 HOH A O   1 ? 
HETATM 1858 O  O   . HOH E 5 .   ? 17.247  18.155  -5.633  1.000 11.823 0 613 HOH A O   1 ? 
HETATM 1859 O  O   . HOH E 5 .   ? 6.129   -6.579  -7.454  1.000 22.483 0 614 HOH A O   1 ? 
HETATM 1860 O  O   . HOH E 5 .   ? -15.797 0.659   -13.637 1.000 15.558 0 615 HOH A O   1 ? 
HETATM 1861 O  O   . HOH E 5 .   ? 19.982  6.353   -11.730 1.000 10.549 0 616 HOH A O   1 ? 
HETATM 1862 O  O   . HOH E 5 .   ? 10.144  3.756   -29.346 1.000 17.640 0 617 HOH A O   1 ? 
HETATM 1863 O  O   . HOH E 5 .   ? 10.572  -4.445  2.124   1.000 14.227 0 618 HOH A O   1 ? 
HETATM 1864 O  O   . HOH E 5 .   ? -14.146 -2.751  -4.904  1.000 19.891 0 619 HOH A O   1 ? 
HETATM 1865 O  O   . HOH E 5 .   ? 11.338  12.951  -16.230 1.000 5.529  0 620 HOH A O   1 ? 
HETATM 1866 O  O   . HOH E 5 .   ? 14.432  25.961  -16.562 1.000 13.442 0 621 HOH A O   1 ? 
HETATM 1867 O  O   . HOH E 5 .   ? 10.605  6.554   -26.547 1.000 33.320 0 622 HOH A O   1 ? 
HETATM 1868 O  O   . HOH E 5 .   ? 17.342  19.053  -17.101 1.000 11.619 0 623 HOH A O   1 ? 
HETATM 1869 O  O   . HOH E 5 .   ? 19.393  12.904  -17.738 1.000 21.603 0 624 HOH A O   1 ? 
HETATM 1870 O  O   . HOH E 5 .   ? -12.447 16.694  -23.649 1.000 33.132 0 625 HOH A O   1 ? 
HETATM 1871 O  O   . HOH E 5 .   ? -16.561 2.765   -1.003  1.000 23.776 0 626 HOH A O   1 ? 
HETATM 1872 O  O   . HOH E 5 .   ? 16.844  -0.286  -15.075 1.000 29.199 0 627 HOH A O   1 ? 
HETATM 1873 O  O   . HOH E 5 .   ? 19.319  3.011   -13.358 1.000 18.379 0 628 HOH A O   1 ? 
HETATM 1874 O  O   . HOH E 5 .   ? 17.115  14.057  -23.468 1.000 21.201 0 629 HOH A O   1 ? 
HETATM 1875 O  O   . HOH E 5 .   ? -3.646  -0.911  -27.346 1.000 38.295 0 630 HOH A O   1 ? 
HETATM 1876 O  O   . HOH E 5 .   ? 15.657  2.779   -23.628 1.000 19.863 0 631 HOH A O   1 ? 
HETATM 1877 O  O   . HOH E 5 .   ? 12.326  -5.363  -15.799 1.000 21.937 0 632 HOH A O   1 ? 
HETATM 1878 O  O   . HOH E 5 .   ? -15.738 6.815   -6.645  1.000 23.285 0 633 HOH A O   1 ? 
HETATM 1879 O  O   . HOH E 5 .   ? -5.357  -1.112  -26.225 1.000 40.791 0 634 HOH A O   1 ? 
HETATM 1880 O  O   . HOH E 5 .   ? 9.308   23.685  -20.333 1.000 27.952 0 635 HOH A O   1 ? 
HETATM 1881 O  O   . HOH E 5 .   ? -4.335  -8.113  3.604   1.000 28.107 0 636 HOH A O   1 ? 
HETATM 1882 O  O   . HOH E 5 .   ? 6.810   19.412  -19.379 1.000 19.268 0 637 HOH A O   1 ? 
HETATM 1883 O  O   . HOH E 5 .   ? -9.410  4.914   -31.965 1.000 41.547 0 638 HOH A O   1 ? 
HETATM 1884 O  O   . HOH E 5 .   ? 11.500  5.905   -24.356 1.000 30.742 0 639 HOH A O   1 ? 
HETATM 1885 O  O   . HOH E 5 .   ? 9.674   3.344   -23.241 1.000 31.462 0 640 HOH A O   1 ? 
HETATM 1886 O  O   . HOH E 5 .   ? -15.039 4.280   -14.496 1.000 30.794 0 641 HOH A O   1 ? 
HETATM 1887 O  O   . HOH E 5 .   ? -14.720 13.046  -19.769 1.000 24.188 0 642 HOH A O   1 ? 
HETATM 1888 O  O   . HOH E 5 .   ? 5.307   -6.836  -0.553  1.000 12.057 0 643 HOH A O   1 ? 
HETATM 1889 O  O   . HOH E 5 .   ? 22.978  7.889   -7.975  1.000 30.289 0 644 HOH A O   1 ? 
HETATM 1890 O  O   . HOH E 5 .   ? 15.653  7.912   9.080   1.000 25.473 0 645 HOH A O   1 ? 
HETATM 1891 O  O   . HOH E 5 .   ? -4.440  -5.524  4.920   1.000 36.442 0 646 HOH A O   1 ? 
HETATM 1892 O  O   . HOH E 5 .   ? -4.852  11.281  10.057  1.000 20.138 0 647 HOH A O   1 ? 
HETATM 1893 O  O   . HOH E 5 .   ? -10.825 -8.784  -1.087  1.000 30.493 0 648 HOH A O   1 ? 
HETATM 1894 O  O   . HOH E 5 .   ? 20.776  -0.386  -10.175 1.000 30.954 0 649 HOH A O   1 ? 
HETATM 1895 O  O   . HOH E 5 .   ? 9.688   0.607   11.966  1.000 20.061 0 650 HOH A O   1 ? 
HETATM 1896 O  O   . HOH E 5 .   ? -15.869 15.564  -19.524 1.000 31.805 0 651 HOH A O   1 ? 
HETATM 1897 O  O   . HOH E 5 .   ? 7.375   -7.246  -5.568  1.000 22.164 0 652 HOH A O   1 ? 
HETATM 1898 O  O   . HOH E 5 .   ? 1.914   13.629  8.669   1.000 37.373 0 653 HOH A O   1 ? 
HETATM 1899 O  O   . HOH E 5 .   ? 15.125  -2.379  0.048   1.000 31.341 0 654 HOH A O   1 ? 
HETATM 1900 O  O   . HOH E 5 .   ? 0.780   18.532  -16.831 1.000 21.357 0 655 HOH A O   1 ? 
HETATM 1901 O  O   . HOH E 5 .   ? -18.695 11.349  -12.326 1.000 35.326 0 656 HOH A O   1 ? 
HETATM 1902 O  O   . HOH E 5 .   ? 10.908  -5.187  -20.895 1.000 26.261 0 657 HOH A O   1 ? 
HETATM 1903 O  O   . HOH E 5 .   ? -15.656 -1.248  5.749   1.000 40.286 0 658 HOH A O   1 ? 
HETATM 1904 O  O   . HOH E 5 .   ? 0.087   2.647   10.566  1.000 31.911 0 659 HOH A O   1 ? 
HETATM 1905 O  O   . HOH E 5 .   ? 13.306  18.420  -24.330 1.000 23.330 0 660 HOH A O   1 ? 
HETATM 1906 O  O   . HOH E 5 .   ? 0.269   13.160  -31.915 1.000 30.559 0 661 HOH A O   1 ? 
HETATM 1907 O  O   . HOH E 5 .   ? 14.393  -0.141  2.884   1.000 30.900 0 662 HOH A O   1 ? 
HETATM 1908 O  O   . HOH E 5 .   ? -5.794  2.707   10.103  1.000 36.483 0 663 HOH A O   1 ? 
HETATM 1909 O  O   . HOH E 5 .   ? -1.176  20.292  -17.052 1.000 30.458 0 664 HOH A O   1 ? 
HETATM 1910 O  O   . HOH E 5 .   ? -2.154  17.244  7.428   1.000 29.983 0 665 HOH A O   1 ? 
HETATM 1911 O  O   . HOH E 5 .   ? 0.770   15.607  -33.090 1.000 35.276 0 666 HOH A O   1 ? 
HETATM 1912 O  O   . HOH E 5 .   ? 16.263  23.237  -18.895 1.000 15.657 0 667 HOH A O   1 ? 
HETATM 1913 O  O   . HOH E 5 .   ? 3.811   9.804   13.368  1.000 31.071 0 668 HOH A O   1 ? 
HETATM 1914 O  O   . HOH E 5 .   ? 20.951  13.216  6.489   1.000 30.245 0 669 HOH A O   1 ? 
HETATM 1915 O  O   . HOH E 5 .   ? 21.350  4.285   -14.348 1.000 43.845 0 670 HOH A O   1 ? 
HETATM 1916 O  O   . HOH E 5 .   ? -10.002 8.354   6.119   1.000 11.432 0 671 HOH A O   1 ? 
HETATM 1917 O  O   . HOH E 5 .   ? 14.894  19.102  -20.231 1.000 17.136 0 672 HOH A O   1 ? 
HETATM 1918 O  O   . HOH E 5 .   ? 8.366   -8.326  -2.647  1.000 26.034 0 673 HOH A O   1 ? 
HETATM 1919 O  O   . HOH E 5 .   ? -12.960 5.961   -23.976 1.000 31.501 0 674 HOH A O   1 ? 
HETATM 1920 O  O   . HOH E 5 .   ? -1.883  -4.186  -17.643 1.000 33.415 0 675 HOH A O   1 ? 
HETATM 1921 O  O   . HOH E 5 .   ? 3.418   19.825  -12.853 1.000 21.717 0 676 HOH A O   1 ? 
HETATM 1922 O  O   . HOH E 5 .   ? 19.899  4.748   -18.310 1.000 45.209 0 677 HOH A O   1 ? 
HETATM 1923 O  O   . HOH E 5 .   ? -16.065 7.847   -13.166 1.000 34.812 0 678 HOH A O   1 ? 
HETATM 1924 O  O   . HOH E 5 .   ? -0.186  11.550  12.470  1.000 34.911 0 679 HOH A O   1 ? 
HETATM 1925 O  O   . HOH E 5 .   ? 1.938   -9.673  -1.763  1.000 24.063 0 680 HOH A O   1 ? 
HETATM 1926 O  O   . HOH E 5 .   ? -15.072 8.971   -19.728 1.000 26.390 0 681 HOH A O   1 ? 
HETATM 1927 O  O   . HOH E 5 .   ? 22.890  10.534  -7.884  1.000 32.281 0 682 HOH A O   1 ? 
HETATM 1928 O  O   . HOH E 5 .   ? 1.450   20.777  -21.172 1.000 16.435 0 683 HOH A O   1 ? 
HETATM 1929 O  O   . HOH E 5 .   ? 12.408  6.722   -32.669 1.000 38.462 0 684 HOH A O   1 ? 
HETATM 1930 O  O   . HOH E 5 .   ? 20.889  19.457  -14.085 1.000 19.578 0 685 HOH A O   1 ? 
HETATM 1931 O  O   . HOH E 5 .   ? 7.811   -4.654  -20.263 1.000 24.244 0 686 HOH A O   1 ? 
HETATM 1932 O  O   . HOH E 5 .   ? -3.294  -3.247  8.628   1.000 24.315 0 687 HOH A O   1 ? 
HETATM 1933 O  O   . HOH E 5 .   ? -17.924 16.159  -18.346 1.000 45.973 0 688 HOH A O   1 ? 
HETATM 1934 O  O   . HOH E 5 .   ? 10.126  -6.092  4.152   1.000 21.091 0 689 HOH A O   1 ? 
HETATM 1935 O  O   . HOH E 5 .   ? 21.056  20.231  -11.596 1.000 26.010 0 690 HOH A O   1 ? 
HETATM 1936 O  O   . HOH E 5 .   ? 20.218  16.624  -18.508 1.000 43.020 0 691 HOH A O   1 ? 
HETATM 1937 O  O   . HOH E 5 .   ? 12.815  19.711  -21.997 1.000 14.801 0 692 HOH A O   1 ? 
HETATM 1938 O  O   . HOH E 5 .   ? 7.602   -7.910  0.419   1.000 25.353 0 693 HOH A O   1 ? 
HETATM 1939 O  O   . HOH E 5 .   ? -12.764 -2.386  1.351   1.000 18.485 0 694 HOH A O   1 ? 
HETATM 1940 O  O   . HOH E 5 .   ? -4.945  -5.422  -13.956 1.000 20.207 0 695 HOH A O   1 ? 
HETATM 1941 O  O   . HOH E 5 .   ? -14.641 7.997   -23.833 1.000 39.241 0 696 HOH A O   1 ? 
HETATM 1942 O  O   . HOH E 5 .   ? 7.051   -4.716  10.031  1.000 33.878 0 697 HOH A O   1 ? 
HETATM 1943 O  O   . HOH E 5 .   ? 17.103  18.033  -21.605 1.000 23.711 0 698 HOH A O   1 ? 
HETATM 1944 O  O   . HOH E 5 .   ? -16.160 8.412   -10.646 1.000 32.027 0 699 HOH A O   1 ? 
HETATM 1945 O  O   . HOH E 5 .   ? 8.800   -8.468  -19.746 1.000 35.597 0 700 HOH A O   1 ? 
HETATM 1946 O  O   . HOH E 5 .   ? 21.829  10.059  -10.181 1.000 32.007 0 701 HOH A O   1 ? 
HETATM 1947 O  O   . HOH E 5 .   ? 2.089   18.635  8.765   1.000 39.615 0 702 HOH A O   1 ? 
HETATM 1948 O  O   . HOH E 5 .   ? -16.099 -1.905  -12.912 1.000 25.096 0 703 HOH A O   1 ? 
HETATM 1949 O  O   . HOH E 5 .   ? 19.727  -1.351  0.632   1.000 23.905 0 704 HOH A O   1 ? 
HETATM 1950 O  O   . HOH E 5 .   ? -18.203 -0.481  -9.270  1.000 34.520 0 705 HOH A O   1 ? 
HETATM 1951 O  O   . HOH E 5 .   ? 5.048   1.793   -32.055 1.000 21.467 0 706 HOH A O   1 ? 
HETATM 1952 O  O   . HOH E 5 .   ? -3.112  -8.310  -15.934 1.000 23.250 0 707 HOH A O   1 ? 
HETATM 1953 O  O   . HOH E 5 .   ? -14.415 -3.730  -14.002 1.000 15.826 0 708 HOH A O   1 ? 
HETATM 1954 O  O   . HOH E 5 .   ? 13.312  4.903   -26.759 1.000 33.293 0 709 HOH A O   1 ? 
HETATM 1955 O  O   . HOH E 5 .   ? 19.908  10.160  -14.150 1.000 24.839 0 710 HOH A O   1 ? 
HETATM 1956 O  O   . HOH E 5 .   ? -14.551 7.004   -15.017 1.000 21.057 0 711 HOH A O   1 ? 
HETATM 1957 O  O   . HOH E 5 .   ? 19.500  19.138  -18.644 1.000 27.003 0 712 HOH A O   1 ? 
HETATM 1958 O  O   . HOH E 5 .   ? -12.682 0.121   10.685  1.000 28.450 0 713 HOH A O   1 ? 
HETATM 1959 O  O   . HOH E 5 .   ? 9.049   21.518  -21.927 1.000 19.348 0 714 HOH A O   1 ? 
HETATM 1960 O  O   . HOH E 5 .   ? -2.582  -5.211  -19.685 1.000 24.598 0 715 HOH A O   1 ? 
HETATM 1961 O  O   . HOH E 5 .   ? 4.295   21.209  -11.061 1.000 29.421 0 716 HOH A O   1 ? 
HETATM 1962 O  O   . HOH E 5 .   ? 7.367   23.670  -2.960  1.000 30.801 0 717 HOH A O   1 ? 
HETATM 1963 O  O   . HOH E 5 .   ? -1.342  -0.850  -28.961 1.000 24.165 0 718 HOH A O   1 ? 
HETATM 1964 O  O   . HOH E 5 .   ? -12.543 -5.323  0.624   1.000 27.767 0 719 HOH A O   1 ? 
HETATM 1965 O  O   . HOH E 5 .   ? -15.419 -3.108  -7.425  1.000 34.141 0 720 HOH A O   1 ? 
HETATM 1966 O  O   . HOH E 5 .   ? -9.999  0.541   10.979  1.000 24.950 0 721 HOH A O   1 ? 
HETATM 1967 O  O   . HOH E 5 .   ? -2.558  -5.165  -15.463 1.000 17.847 0 722 HOH A O   1 ? 
HETATM 1968 O  O   . HOH E 5 .   ? 11.788  11.072  -33.324 1.000 26.536 0 723 HOH A O   1 ? 
HETATM 1969 O  O   . HOH E 5 .   ? 16.241  16.949  -24.064 1.000 27.667 0 724 HOH A O   1 ? 
HETATM 1970 O  O   . HOH E 5 .   ? 8.943   -1.963  12.290  1.000 26.662 0 725 HOH A O   1 ? 
HETATM 1971 O  O   . HOH E 5 .   ? -17.043 1.138   -2.743  1.000 24.819 0 726 HOH A O   1 ? 
HETATM 1972 O  O   . HOH E 5 .   ? -16.833 -2.225  -10.387 1.000 27.352 0 727 HOH A O   1 ? 
HETATM 1973 O  O   . HOH E 5 .   ? -16.423 0.656   -5.501  1.000 14.139 0 728 HOH A O   1 ? 
HETATM 1974 O  O   . HOH E 5 .   ? 14.128  4.988   -31.372 1.000 30.051 0 729 HOH A O   1 ? 
HETATM 1975 O  O   . HOH E 5 .   ? -17.548 1.408   4.675   1.000 31.163 0 730 HOH A O   1 ? 
HETATM 1976 O  O   . HOH E 5 .   ? -0.375  1.741   -29.188 1.000 15.101 0 731 HOH A O   1 ? 
HETATM 1977 O  O   . HOH E 5 .   ? 7.833   -7.651  5.111   1.000 39.268 0 732 HOH A O   1 ? 
HETATM 1978 O  O   . HOH E 5 .   ? -4.134  1.673   -29.129 1.000 21.023 0 733 HOH A O   1 ? 
HETATM 1979 O  O   . HOH E 5 .   ? -0.704  -5.624  -13.180 1.000 19.918 0 734 HOH A O   1 ? 
HETATM 1980 O  O   . HOH E 5 .   ? -13.453 -9.323  -0.793  1.000 46.071 0 735 HOH A O   1 ? 
HETATM 1981 O  O   . HOH E 5 .   ? -0.657  5.194   -31.950 1.000 18.431 0 736 HOH A O   1 ? 
HETATM 1982 O  O   . HOH E 5 .   ? 5.001   -4.476  14.428  1.000 34.768 0 737 HOH A O   1 ? 
HETATM 1983 O  O   . HOH E 5 .   ? 18.745  20.118  -21.063 1.000 36.672 0 738 HOH A O   1 ? 
HETATM 1984 O  O   . HOH E 5 .   ? -17.693 -1.450  -6.540  1.000 31.107 0 739 HOH A O   1 ? 
HETATM 1985 O  O   . HOH E 5 .   ? -0.792  2.359   -31.839 1.000 23.709 0 740 HOH A O   1 ? 
HETATM 1986 O  O   . HOH E 5 .   ? -18.972 -2.255  -14.169 1.000 31.600 0 741 HOH A O   1 ? 
HETATM 1987 O  O   . HOH E 5 .   ? 24.690  6.234   -17.704 1.000 44.326 0 742 HOH A O   1 ? 
# 
