data_9AWF
# 
_entry.id   9AWF 
# 
_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   9AWF         pdb_00009awf 10.2210/pdb9awf/pdb 
WWPDB D_1000282178 ?            ?                   
# 
_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                        9AWF 
_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 200 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    263 ?        ? ? ? 
# 
_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 CA  ? ? CA  ? ? 'SUBJECT OF INVESTIGATION' ? 
2 GOL ? ? GOL ? ? 'SUBJECT OF INVESTIGATION' ? 
3 BEN ? ? BEN ? ? '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   401 238 HOH HOH A . 
E 5 HOH 2   402 221 HOH HOH A . 
E 5 HOH 3   403 200 HOH HOH A . 
E 5 HOH 4   404 102 HOH HOH A . 
E 5 HOH 5   405 244 HOH HOH A . 
E 5 HOH 6   406 208 HOH HOH A . 
E 5 HOH 7   407 18  HOH HOH A . 
E 5 HOH 8   408 3   HOH HOH A . 
E 5 HOH 9   409 218 HOH HOH A . 
E 5 HOH 10  410 159 HOH HOH A . 
E 5 HOH 11  411 85  HOH HOH A . 
E 5 HOH 12  412 222 HOH HOH A . 
E 5 HOH 13  413 101 HOH HOH A . 
E 5 HOH 14  414 124 HOH HOH A . 
E 5 HOH 15  415 38  HOH HOH A . 
E 5 HOH 16  416 247 HOH HOH A . 
E 5 HOH 17  417 4   HOH HOH A . 
E 5 HOH 18  418 224 HOH HOH A . 
E 5 HOH 19  419 72  HOH HOH A . 
E 5 HOH 20  420 123 HOH HOH A . 
E 5 HOH 21  421 161 HOH HOH A . 
E 5 HOH 22  422 58  HOH HOH A . 
E 5 HOH 23  423 47  HOH HOH A . 
E 5 HOH 24  424 131 HOH HOH A . 
E 5 HOH 25  425 43  HOH HOH A . 
E 5 HOH 26  426 212 HOH HOH A . 
E 5 HOH 27  427 36  HOH HOH A . 
E 5 HOH 28  428 177 HOH HOH A . 
E 5 HOH 29  429 93  HOH HOH A . 
E 5 HOH 30  430 215 HOH HOH A . 
E 5 HOH 31  431 178 HOH HOH A . 
E 5 HOH 32  432 10  HOH HOH A . 
E 5 HOH 33  433 14  HOH HOH A . 
E 5 HOH 34  434 64  HOH HOH A . 
E 5 HOH 35  435 122 HOH HOH A . 
E 5 HOH 36  436 45  HOH HOH A . 
E 5 HOH 37  437 134 HOH HOH A . 
E 5 HOH 38  438 132 HOH HOH A . 
E 5 HOH 39  439 94  HOH HOH A . 
E 5 HOH 40  440 149 HOH HOH A . 
E 5 HOH 41  441 140 HOH HOH A . 
E 5 HOH 42  442 243 HOH HOH A . 
E 5 HOH 43  443 202 HOH HOH A . 
E 5 HOH 44  444 231 HOH HOH A . 
E 5 HOH 45  445 41  HOH HOH A . 
E 5 HOH 46  446 24  HOH HOH A . 
E 5 HOH 47  447 240 HOH HOH A . 
E 5 HOH 48  448 8   HOH HOH A . 
E 5 HOH 49  449 126 HOH HOH A . 
E 5 HOH 50  450 9   HOH HOH A . 
E 5 HOH 51  451 104 HOH HOH A . 
E 5 HOH 52  452 262 HOH HOH A . 
E 5 HOH 53  453 213 HOH HOH A . 
E 5 HOH 54  454 211 HOH HOH A . 
E 5 HOH 55  455 176 HOH HOH A . 
E 5 HOH 56  456 162 HOH HOH A . 
E 5 HOH 57  457 138 HOH HOH A . 
E 5 HOH 58  458 71  HOH HOH A . 
E 5 HOH 59  459 163 HOH HOH A . 
E 5 HOH 60  460 61  HOH HOH A . 
E 5 HOH 61  461 32  HOH HOH A . 
E 5 HOH 62  462 206 HOH HOH A . 
E 5 HOH 63  463 116 HOH HOH A . 
E 5 HOH 64  464 25  HOH HOH A . 
E 5 HOH 65  465 173 HOH HOH A . 
E 5 HOH 66  466 228 HOH HOH A . 
E 5 HOH 67  467 81  HOH HOH A . 
E 5 HOH 68  468 48  HOH HOH A . 
E 5 HOH 69  469 33  HOH HOH A . 
E 5 HOH 70  470 95  HOH HOH A . 
E 5 HOH 71  471 118 HOH HOH A . 
E 5 HOH 72  472 146 HOH HOH A . 
E 5 HOH 73  473 20  HOH HOH A . 
E 5 HOH 74  474 252 HOH HOH A . 
E 5 HOH 75  475 143 HOH HOH A . 
E 5 HOH 76  476 169 HOH HOH A . 
E 5 HOH 77  477 158 HOH HOH A . 
E 5 HOH 78  478 249 HOH HOH A . 
E 5 HOH 79  479 12  HOH HOH A . 
E 5 HOH 80  480 37  HOH HOH A . 
E 5 HOH 81  481 237 HOH HOH A . 
E 5 HOH 82  482 91  HOH HOH A . 
E 5 HOH 83  483 191 HOH HOH A . 
E 5 HOH 84  484 90  HOH HOH A . 
E 5 HOH 85  485 86  HOH HOH A . 
E 5 HOH 86  486 2   HOH HOH A . 
E 5 HOH 87  487 21  HOH HOH A . 
E 5 HOH 88  488 7   HOH HOH A . 
E 5 HOH 89  489 78  HOH HOH A . 
E 5 HOH 90  490 17  HOH HOH A . 
E 5 HOH 91  491 57  HOH HOH A . 
E 5 HOH 92  492 137 HOH HOH A . 
E 5 HOH 93  493 148 HOH HOH A . 
E 5 HOH 94  494 119 HOH HOH A . 
E 5 HOH 95  495 210 HOH HOH A . 
E 5 HOH 96  496 30  HOH HOH A . 
E 5 HOH 97  497 19  HOH HOH A . 
E 5 HOH 98  498 227 HOH HOH A . 
E 5 HOH 99  499 6   HOH HOH A . 
E 5 HOH 100 500 42  HOH HOH A . 
E 5 HOH 101 501 189 HOH HOH A . 
E 5 HOH 102 502 52  HOH HOH A . 
E 5 HOH 103 503 151 HOH HOH A . 
E 5 HOH 104 504 31  HOH HOH A . 
E 5 HOH 105 505 5   HOH HOH A . 
E 5 HOH 106 506 76  HOH HOH A . 
E 5 HOH 107 507 108 HOH HOH A . 
E 5 HOH 108 508 112 HOH HOH A . 
E 5 HOH 109 509 29  HOH HOH A . 
E 5 HOH 110 510 133 HOH HOH A . 
E 5 HOH 111 511 152 HOH HOH A . 
E 5 HOH 112 512 230 HOH HOH A . 
E 5 HOH 113 513 160 HOH HOH A . 
E 5 HOH 114 514 11  HOH HOH A . 
E 5 HOH 115 515 39  HOH HOH A . 
E 5 HOH 116 516 51  HOH HOH A . 
E 5 HOH 117 517 27  HOH HOH A . 
E 5 HOH 118 518 192 HOH HOH A . 
E 5 HOH 119 519 225 HOH HOH A . 
E 5 HOH 120 520 67  HOH HOH A . 
E 5 HOH 121 521 114 HOH HOH A . 
E 5 HOH 122 522 22  HOH HOH A . 
E 5 HOH 123 523 16  HOH HOH A . 
E 5 HOH 124 524 88  HOH HOH A . 
E 5 HOH 125 525 153 HOH HOH A . 
E 5 HOH 126 526 232 HOH HOH A . 
E 5 HOH 127 527 13  HOH HOH A . 
E 5 HOH 128 528 87  HOH HOH A . 
E 5 HOH 129 529 35  HOH HOH A . 
E 5 HOH 130 530 23  HOH HOH A . 
E 5 HOH 131 531 135 HOH HOH A . 
E 5 HOH 132 532 49  HOH HOH A . 
E 5 HOH 133 533 59  HOH HOH A . 
E 5 HOH 134 534 220 HOH HOH A . 
E 5 HOH 135 535 69  HOH HOH A . 
E 5 HOH 136 536 28  HOH HOH A . 
E 5 HOH 137 537 120 HOH HOH A . 
E 5 HOH 138 538 216 HOH HOH A . 
E 5 HOH 139 539 100 HOH HOH A . 
E 5 HOH 140 540 84  HOH HOH A . 
E 5 HOH 141 541 205 HOH HOH A . 
E 5 HOH 142 542 15  HOH HOH A . 
E 5 HOH 143 543 186 HOH HOH A . 
E 5 HOH 144 544 201 HOH HOH A . 
E 5 HOH 145 545 55  HOH HOH A . 
E 5 HOH 146 546 40  HOH HOH A . 
E 5 HOH 147 547 50  HOH HOH A . 
E 5 HOH 148 548 89  HOH HOH A . 
E 5 HOH 149 549 219 HOH HOH A . 
E 5 HOH 150 550 73  HOH HOH A . 
E 5 HOH 151 551 70  HOH HOH A . 
E 5 HOH 152 552 113 HOH HOH A . 
E 5 HOH 153 553 68  HOH HOH A . 
E 5 HOH 154 554 54  HOH HOH A . 
E 5 HOH 155 555 187 HOH HOH A . 
E 5 HOH 156 556 107 HOH HOH A . 
E 5 HOH 157 557 99  HOH HOH A . 
E 5 HOH 158 558 80  HOH HOH A . 
E 5 HOH 159 559 105 HOH HOH A . 
E 5 HOH 160 560 1   HOH HOH A . 
E 5 HOH 161 561 127 HOH HOH A . 
E 5 HOH 162 562 110 HOH HOH A . 
E 5 HOH 163 563 129 HOH HOH A . 
E 5 HOH 164 564 142 HOH HOH A . 
E 5 HOH 165 565 139 HOH HOH A . 
E 5 HOH 166 566 136 HOH HOH A . 
E 5 HOH 167 567 171 HOH HOH A . 
E 5 HOH 168 568 145 HOH HOH A . 
E 5 HOH 169 569 98  HOH HOH A . 
E 5 HOH 170 570 79  HOH HOH A . 
E 5 HOH 171 571 103 HOH HOH A . 
E 5 HOH 172 572 155 HOH HOH A . 
E 5 HOH 173 573 75  HOH HOH A . 
E 5 HOH 174 574 229 HOH HOH A . 
E 5 HOH 175 575 226 HOH HOH A . 
E 5 HOH 176 576 97  HOH HOH A . 
E 5 HOH 177 577 204 HOH HOH A . 
E 5 HOH 178 578 62  HOH HOH A . 
E 5 HOH 179 579 109 HOH HOH A . 
E 5 HOH 180 580 157 HOH HOH A . 
E 5 HOH 181 581 82  HOH HOH A . 
E 5 HOH 182 582 170 HOH HOH A . 
E 5 HOH 183 583 144 HOH HOH A . 
E 5 HOH 184 584 248 HOH HOH A . 
E 5 HOH 185 585 147 HOH HOH A . 
E 5 HOH 186 586 207 HOH HOH A . 
E 5 HOH 187 587 46  HOH HOH A . 
E 5 HOH 188 588 77  HOH HOH A . 
E 5 HOH 189 589 180 HOH HOH A . 
E 5 HOH 190 590 34  HOH HOH A . 
E 5 HOH 191 591 203 HOH HOH A . 
E 5 HOH 192 592 251 HOH HOH A . 
E 5 HOH 193 593 56  HOH HOH A . 
E 5 HOH 194 594 166 HOH HOH A . 
E 5 HOH 195 595 234 HOH HOH A . 
E 5 HOH 196 596 115 HOH HOH A . 
E 5 HOH 197 597 150 HOH HOH A . 
E 5 HOH 198 598 60  HOH HOH A . 
E 5 HOH 199 599 66  HOH HOH A . 
E 5 HOH 200 600 223 HOH HOH A . 
E 5 HOH 201 601 235 HOH HOH A . 
E 5 HOH 202 602 53  HOH HOH A . 
E 5 HOH 203 603 194 HOH HOH A . 
E 5 HOH 204 604 26  HOH HOH A . 
E 5 HOH 205 605 185 HOH HOH A . 
E 5 HOH 206 606 193 HOH HOH A . 
E 5 HOH 207 607 214 HOH HOH A . 
E 5 HOH 208 608 184 HOH HOH A . 
E 5 HOH 209 609 168 HOH HOH A . 
E 5 HOH 210 610 253 HOH HOH A . 
E 5 HOH 211 611 83  HOH HOH A . 
E 5 HOH 212 612 233 HOH HOH A . 
E 5 HOH 213 613 164 HOH HOH A . 
E 5 HOH 214 614 256 HOH HOH A . 
E 5 HOH 215 615 217 HOH HOH A . 
E 5 HOH 216 616 209 HOH HOH A . 
E 5 HOH 217 617 261 HOH HOH A . 
E 5 HOH 218 618 175 HOH HOH A . 
E 5 HOH 219 619 156 HOH HOH A . 
E 5 HOH 220 620 197 HOH HOH A . 
E 5 HOH 221 621 44  HOH HOH A . 
E 5 HOH 222 622 199 HOH HOH A . 
E 5 HOH 223 623 242 HOH HOH A . 
E 5 HOH 224 624 121 HOH HOH A . 
E 5 HOH 225 625 239 HOH HOH A . 
E 5 HOH 226 626 246 HOH HOH A . 
E 5 HOH 227 627 167 HOH HOH A . 
E 5 HOH 228 628 245 HOH HOH A . 
E 5 HOH 229 629 128 HOH HOH A . 
E 5 HOH 230 630 255 HOH HOH A . 
E 5 HOH 231 631 188 HOH HOH A . 
E 5 HOH 232 632 198 HOH HOH A . 
E 5 HOH 233 633 141 HOH HOH A . 
E 5 HOH 234 634 258 HOH HOH A . 
E 5 HOH 235 635 130 HOH HOH A . 
E 5 HOH 236 636 181 HOH HOH A . 
E 5 HOH 237 637 183 HOH HOH A . 
E 5 HOH 238 638 96  HOH HOH A . 
E 5 HOH 239 639 257 HOH HOH A . 
E 5 HOH 240 640 182 HOH HOH A . 
E 5 HOH 241 641 263 HOH HOH A . 
E 5 HOH 242 642 190 HOH HOH A . 
E 5 HOH 243 643 259 HOH HOH A . 
E 5 HOH 244 644 154 HOH HOH A . 
E 5 HOH 245 645 254 HOH HOH A . 
E 5 HOH 246 646 260 HOH HOH A . 
E 5 HOH 247 647 172 HOH HOH A . 
E 5 HOH 248 648 196 HOH HOH A . 
E 5 HOH 249 649 106 HOH HOH A . 
E 5 HOH 250 650 125 HOH HOH A . 
E 5 HOH 251 651 174 HOH HOH A . 
E 5 HOH 252 652 74  HOH HOH A . 
E 5 HOH 253 653 165 HOH HOH A . 
E 5 HOH 254 654 241 HOH HOH A . 
E 5 HOH 255 655 250 HOH HOH A . 
E 5 HOH 256 656 195 HOH HOH A . 
E 5 HOH 257 657 63  HOH HOH A . 
E 5 HOH 258 658 179 HOH HOH A . 
E 5 HOH 259 659 92  HOH HOH A . 
E 5 HOH 260 660 236 HOH HOH A . 
E 5 HOH 261 661 111 HOH HOH A . 
E 5 HOH 262 662 117 HOH HOH A . 
E 5 HOH 263 663 65  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                     9AWF 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     54.161 
_cell.length_a_esd                 ? 
_cell.length_b                     58.579 
_cell.length_b_esd                 ? 
_cell.length_c                     67.065 
_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                         9AWF 
_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                   9AWF 
_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             2.28 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          46.07 
_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                     200 
_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         2023-11-05 
_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                                       9AWF 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.498 
_reflns.d_resolution_low                               23.09 
_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                                     34792 
_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                           99.45 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                10 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          15.730 
_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                                   0.838 
_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                                     23.09 
_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                             1771 
_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                                  0.838 
_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]                            0.006 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.001 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            -0.004 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               10.887 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.969 
_refine.correlation_coeff_Fo_to_Fc_free          0.955 
_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                                 9AWF 
_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                            1.498 
_refine.ls_d_res_low                             23.090 
_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                     34792 
_refine.ls_number_reflns_R_free                  1771 
_refine.ls_number_reflns_R_work                  33021 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.448 
_refine.ls_percent_reflns_R_free                 5.090 
_refine.ls_R_factor_all                          0.158 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1852 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1562 
_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                       0.065 
_refine.pdbx_overall_ESU_R_Free                  0.068 
_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                             1.129 
_refine.overall_SU_ML                            0.041 
_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             263 
_refine_hist.number_atoms_total               1908 
_refine_hist.d_res_high                       1.498 
_refine_hist.d_res_low                        23.090 
# 
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' ? 0.012  0.011  1680 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1490 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.719  1.620  2280 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.619  1.552  3493 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.073  5.000  222  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 11.998 10.000 2    ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 1.105  5.000  1    ? r_dihedral_angle_other_2_deg   ? ? 
'X-RAY DIFFRACTION' ? 12.656 10.000 269  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 18.000 10.000 58   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.097  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' ? 0.221  0.200  271  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.205  0.200  1414 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.176  0.200  840  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.085  0.200  962  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.203  0.200  157  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.117  0.200  5    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.236  0.200  6    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.171  0.200  18   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.307  0.200  17   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.166  1.026  891  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.163  1.026  891  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 1.715  1.543  1112 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 1.715  1.544  1113 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.726  1.237  789  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.725  1.240  790  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.910  1.750  1168 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.908  1.753  1169 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.204  19.169 1919 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.974  15.811 1841 ? 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' 1.498 1.537  2540 . 120 2314 95.8268  . 0.285 . . 0.285 . . . . . 0.244 . 20 . 0.949 0.947 0.298 
'X-RAY DIFFRACTION' 1.537 1.579  2470 . 111 2328 98.7449  . 0.247 . . 0.245 . . . . . 0.207 . 20 . 0.962 0.950 0.282 
'X-RAY DIFFRACTION' 1.579 1.625  2424 . 136 2272 99.3399  . 0.209 . . 0.207 . . . . . 0.172 . 20 . 0.974 0.965 0.234 
'X-RAY DIFFRACTION' 1.625 1.674  2331 . 119 2206 99.7426  . 0.177 . . 0.175 . . . . . 0.145 . 20 . 0.981 0.975 0.206 
'X-RAY DIFFRACTION' 1.674 1.729  2261 . 105 2154 99.9115  . 0.162 . . 0.160 . . . . . 0.134 . 20 . 0.984 0.978 0.199 
'X-RAY DIFFRACTION' 1.729 1.789  2202 . 101 2101 100.0000 . 0.156 . . 0.154 . . . . . 0.127 . 20 . 0.985 0.976 0.192 
'X-RAY DIFFRACTION' 1.789 1.856  2134 . 112 2022 100.0000 . 0.143 . . 0.143 . . . . . 0.119 . 20 . 0.988 0.984 0.153 
'X-RAY DIFFRACTION' 1.856 1.932  2055 . 107 1946 99.9027  . 0.141 . . 0.140 . . . . . 0.121 . 20 . 0.988 0.985 0.158 
'X-RAY DIFFRACTION' 1.932 2.017  1961 . 96  1865 100.0000 . 0.140 . . 0.138 . . . . . 0.123 . 20 . 0.988 0.977 0.198 
'X-RAY DIFFRACTION' 2.017 2.114  1894 . 95  1797 99.8944  . 0.143 . . 0.141 . . . . . 0.127 . 20 . 0.988 0.982 0.173 
'X-RAY DIFFRACTION' 2.114 2.228  1801 . 77  1724 100.0000 . 0.144 . . 0.142 . . . . . 0.130 . 20 . 0.988 0.978 0.190 
'X-RAY DIFFRACTION' 2.228 2.362  1711 . 123 1587 99.9416  . 0.136 . . 0.133 . . . . . 0.121 . 20 . 0.989 0.982 0.175 
'X-RAY DIFFRACTION' 2.362 2.523  1597 . 79  1518 100.0000 . 0.138 . . 0.137 . . . . . 0.127 . 20 . 0.989 0.984 0.166 
'X-RAY DIFFRACTION' 2.523 2.722  1509 . 72  1436 99.9337  . 0.147 . . 0.144 . . . . . 0.136 . 20 . 0.987 0.976 0.217 
'X-RAY DIFFRACTION' 2.722 2.978  1410 . 79  1331 100.0000 . 0.153 . . 0.152 . . . . . 0.148 . 20 . 0.986 0.981 0.168 
'X-RAY DIFFRACTION' 2.978 3.322  1277 . 65  1212 100.0000 . 0.138 . . 0.139 . . . . . 0.138 . 20 . 0.988 0.991 0.132 
'X-RAY DIFFRACTION' 3.322 3.823  1129 . 59  1069 99.9114  . 0.146 . . 0.144 . . . . . 0.146 . 20 . 0.988 0.979 0.190 
'X-RAY DIFFRACTION' 3.823 4.651  974  . 61  913  100.0000 . 0.137 . . 0.136 . . . . . 0.146 . 20 . 0.989 0.989 0.143 
'X-RAY DIFFRACTION' 4.651 6.448  785  . 29  755  99.8726  . 0.179 . . 0.178 . . . . . 0.191 . 20 . 0.985 0.981 0.211 
'X-RAY DIFFRACTION' 6.448 23.090 497  . 25  471  99.7988  . 0.202 . . 0.200 . . . . . 0.231 . 20 . 0.976 0.974 0.236 
# 
_struct.entry_id                     9AWF 
_struct.title                        'Crystal structure of trypsin at 200 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        9AWF 
_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              9AWF 
_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 ? ? ? ? ? ? ? 2.052 ? ? 
disulf2 disulf ? ? A CYS 25  SG  ? ? ? 1_555 A CYS 41  SG ? ? A CYS 25  A CYS 41  1_555 ? ? ? ? ? ? ? 2.016 ? ? 
disulf3 disulf ? ? A CYS 109 SG  ? ? ? 1_555 A CYS 210 SG ? ? A CYS 109 A CYS 210 1_555 ? ? ? ? ? ? ? 2.048 ? ? 
disulf4 disulf ? ? A CYS 116 SG  ? ? ? 1_555 A CYS 183 SG ? ? A CYS 116 A CYS 183 1_555 ? ? ? ? ? ? ? 2.016 ? ? 
disulf5 disulf ? ? A CYS 148 SG  ? ? ? 1_555 A CYS 162 SG ? ? A CYS 148 A CYS 162 1_555 ? ? ? ? ? ? ? 1.995 ? ? 
disulf6 disulf ? ? A CYS 173 SG  ? ? ? 1_555 A CYS 197 SG ? ? A CYS 173 A CYS 197 1_555 ? ? ? ? ? ? ? 2.023 ? ? 
metalc1 metalc ? ? A GLU 52  OE1 ? ? ? 1_555 B CA  .   CA ? ? A GLU 52  A CA  301 1_555 ? ? ? ? ? ? ? 2.242 ? ? 
metalc2 metalc ? ? A ASN 54  O   ? ? ? 1_555 B CA  .   CA ? ? A ASN 54  A CA  301 1_555 ? ? ? ? ? ? ? 2.310 ? ? 
metalc3 metalc ? ? A VAL 57  O   ? ? ? 1_555 B CA  .   CA ? ? A VAL 57  A CA  301 1_555 ? ? ? ? ? ? ? 2.296 ? ? 
metalc4 metalc ? ? A GLU 62  OE2 ? ? ? 1_555 B CA  .   CA ? ? A GLU 62  A CA  301 1_555 ? ? ? ? ? ? ? 2.340 ? ? 
metalc5 metalc ? ? B CA  .   CA  ? ? ? 1_555 E HOH .   O  ? ? A CA  301 A HOH 407 1_555 ? ? ? ? ? ? ? 2.455 ? ? 
metalc6 metalc ? ? B CA  .   CA  ? ? ? 1_555 E HOH .   O  ? ? A CA  301 A HOH 527 1_555 ? ? ? ? ? ? ? 2.361 ? ? 
# 
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 91.7  ? 
2  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57  ? 1_555 167.1 ? 
3  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57  ? 1_555 81.4  ? 
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_555 101.2 ? 
5  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 159.9 ? 
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 88.4  ? 
7  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 407 ? 1_555 85.3  ? 
8  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 407 ? 1_555 89.4  ? 
9  O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 407 ? 1_555 105.5 ? 
10 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 407 ? 1_555 76.5  ? 
11 OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 527 ? 1_555 82.1  ? 
12 O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 527 ? 1_555 103.2 ? 
13 O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 527 ? 1_555 88.7  ? 
14 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 527 ? 1_555 93.9  ? 
15 O   ? E HOH .  ? A HOH 407 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? E HOH .  ? A HOH 527 ? 1_555 162.4 ? 
# 
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 VAL A 35  ? N VAL A 35  O ILE A 88  ? O ILE A 88  
AA2 4 5 O LYS A 89  ? O LYS A 89  N SER A 68  ? N SER A 68  
AA2 5 6 O ILE A 65  ? O ILE A 65  N VAL A 48  ? N VAL A 48  
AA2 6 7 O GLN A 47  ? O GLN A 47  N ASN A 19  ? N ASN A 19  
# 
_pdbx_entry_details.entry_id                   9AWF 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O  A HOH 466 ? ? O A HOH 618 ? ? 1.83 
2 1 O  A HOH 610 ? ? O A HOH 647 ? ? 1.98 
3 1 OG A SER 108 ? ? O A HOH 401 ? ? 2.09 
4 1 O  A HOH 415 ? ? O A HOH 586 ? ? 2.10 
5 1 O  A HOH 571 ? ? O A HOH 615 ? ? 2.12 
6 1 O  A HOH 550 ? ? O A HOH 615 ? ? 2.14 
7 1 O  A HOH 424 ? ? O A HOH 577 ? ? 2.14 
8 1 O  A HOH 438 ? ? O A HOH 607 ? ? 2.16 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    OH 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    TYR 
_pdbx_validate_symm_contact.auth_seq_id_1     42 
_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    OD2 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    ASP 
_pdbx_validate_symm_contact.auth_seq_id_2     133 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   4_545 
_pdbx_validate_symm_contact.dist              1.87 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     53 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -121.79 
_pdbx_validate_torsion.psi             -80.41 
# 
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                    9AWF 
_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]   0.018463 
_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]   0.017071 
_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]   0.014911 
_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   ? -8.090  -19.866 -13.363 1.000 7.518  0 1   ILE A N   1 ? 
ATOM   2    C  CA  . ILE A 1 1   ? -8.115  -20.801 -14.534 1.000 7.524  0 1   ILE A CA  1 ? 
ATOM   3    C  C   . ILE A 1 1   ? -9.403  -20.528 -15.304 1.000 8.376  0 1   ILE A C   1 ? 
ATOM   4    O  O   . ILE A 1 1   ? -10.502 -20.633 -14.758 1.000 8.596  0 1   ILE A O   1 ? 
ATOM   5    C  CB  . ILE A 1 1   ? -8.061  -22.272 -14.054 1.000 7.814  0 1   ILE A CB  1 ? 
ATOM   6    C  CG1 . ILE A 1 1   ? -6.833  -22.544 -13.178 1.000 7.647  0 1   ILE A CG1 1 ? 
ATOM   7    C  CG2 . ILE A 1 1   ? -8.106  -23.256 -15.210 1.000 8.025  0 1   ILE A CG2 1 ? 
ATOM   8    C  CD1 . ILE A 1 1   ? -5.489  -22.643 -13.906 1.000 9.047  0 1   ILE A CD1 1 ? 
ATOM   9    N  N   . VAL A 1 2   ? -9.252  -20.221 -16.593 1.000 8.181  0 2   VAL A N   1 ? 
ATOM   10   C  CA  . VAL A 1 2   ? -10.377 -19.996 -17.483 1.000 8.464  0 2   VAL A CA  1 ? 
ATOM   11   C  C   . VAL A 1 2   ? -10.503 -21.255 -18.350 1.000 8.330  0 2   VAL A C   1 ? 
ATOM   12   O  O   . VAL A 1 2   ? -9.533  -21.754 -18.950 1.000 8.963  0 2   VAL A O   1 ? 
ATOM   13   C  CB  . VAL A 1 2   ? -10.116 -18.751 -18.349 1.000 8.802  0 2   VAL A CB  1 ? 
ATOM   14   C  CG1 . VAL A 1 2   ? -11.255 -18.595 -19.319 1.000 9.917  0 2   VAL A CG1 1 ? 
ATOM   15   C  CG2 . VAL A 1 2   ? -9.870  -17.480 -17.540 1.000 8.921  0 2   VAL A CG2 1 ? 
ATOM   16   N  N   . GLY A 1 3   ? -11.755 -21.757 -18.435 1.000 9.228  0 3   GLY A N   1 ? 
ATOM   17   C  CA  . GLY A 1 3   ? -12.009 -22.863 -19.331 1.000 10.378 0 3   GLY A CA  1 ? 
ATOM   18   C  C   . GLY A 1 3   ? -11.520 -24.217 -18.862 1.000 11.057 0 3   GLY A C   1 ? 
ATOM   19   O  O   . GLY A 1 3   ? -11.377 -25.111 -19.660 1.000 12.185 0 3   GLY A O   1 ? 
ATOM   20   N  N   . GLY A 1 4   ? -11.324 -24.345 -17.562 1.000 9.741  0 4   GLY A N   1 ? 
ATOM   21   C  CA  . GLY A 1 4   ? -10.852 -25.567 -16.928 1.000 10.108 0 4   GLY A CA  1 ? 
ATOM   22   C  C   . GLY A 1 4   ? -11.986 -26.373 -16.304 1.000 9.990  0 4   GLY A C   1 ? 
ATOM   23   O  O   . GLY A 1 4   ? -13.163 -26.262 -16.697 1.000 11.304 0 4   GLY A O   1 ? 
ATOM   24   N  N   . TYR A 1 5   ? -11.629 -27.157 -15.289 1.000 9.095  0 5   TYR A N   1 ? 
ATOM   25   C  CA  . TYR A 1 5   ? -12.531 -28.055 -14.602 1.000 9.032  0 5   TYR A CA  1 ? 
ATOM   26   C  C   . TYR A 1 5   ? -12.223 -28.053 -13.117 1.000 9.252  0 5   TYR A C   1 ? 
ATOM   27   O  O   . TYR A 1 5   ? -11.138 -27.717 -12.670 1.000 9.750  0 5   TYR A O   1 ? 
ATOM   28   C  CB  . TYR A 1 5   ? -12.476 -29.470 -15.200 1.000 8.981  0 5   TYR A CB  1 ? 
ATOM   29   C  CG  . TYR A 1 5   ? -11.176 -30.200 -15.097 1.000 9.237  0 5   TYR A CG  1 ? 
ATOM   30   C  CD1 . TYR A 1 5   ? -10.110 -29.892 -15.924 1.000 9.697  0 5   TYR A CD1 1 ? 
ATOM   31   C  CD2 . TYR A 1 5   ? -10.951 -31.151 -14.115 1.000 9.172  0 5   TYR A CD2 1 ? 
ATOM   32   C  CE1 . TYR A 1 5   ? -8.916  -30.601 -15.847 1.000 9.517  0 5   TYR A CE1 1 ? 
ATOM   33   C  CE2 . TYR A 1 5   ? -9.749  -31.851 -14.015 1.000 9.974  0 5   TYR A CE2 1 ? 
ATOM   34   C  CZ  . TYR A 1 5   ? -8.715  -31.565 -14.888 1.000 10.076 0 5   TYR A CZ  1 ? 
ATOM   35   O  OH  . TYR A 1 5   ? -7.462  -32.195 -14.826 1.000 13.010 0 5   TYR A OH  1 ? 
ATOM   36   N  N   . THR A 1 6   ? -13.209 -28.450 -12.331 1.000 8.171  0 6   THR A N   1 ? 
ATOM   37   C  CA  . THR A 1 6   ? -13.009 -28.598 -10.909 1.000 8.466  0 6   THR A CA  1 ? 
ATOM   38   C  C   . THR A 1 6   ? -12.105 -29.807 -10.661 1.000 9.640  0 6   THR A C   1 ? 
ATOM   39   O  O   . THR A 1 6   ? -12.422 -30.937 -11.063 1.000 10.651 0 6   THR A O   1 ? 
ATOM   40   C  CB  . THR A 1 6   ? -14.357 -28.705 -10.189 1.000 9.335  0 6   THR A CB  1 ? 
ATOM   41   O  OG1 . THR A 1 6   ? -15.087 -27.481 -10.335 1.000 11.176 0 6   THR A OG1 1 ? 
ATOM   42   C  CG2 . THR A 1 6   ? -14.178 -29.032 -8.725  1.000 10.217 0 6   THR A CG2 1 ? 
ATOM   43   N  N   . CYS A 1 7   ? -10.964 -29.590 -10.004 1.000 8.902  0 7   CYS A N   1 ? 
ATOM   44   C  CA  . CYS A 1 7   ? -9.948  -30.643 -9.890  1.000 8.979  0 7   CYS A CA  1 ? 
ATOM   45   C  C   . CYS A 1 7   ? -10.498 -31.832 -9.106  1.000 9.389  0 7   CYS A C   1 ? 
ATOM   46   O  O   . CYS A 1 7   ? -10.263 -32.987 -9.411  1.000 11.153 0 7   CYS A O   1 ? 
ATOM   47   C  CB  . CYS A 1 7   ? -8.712  -30.188 -9.117  1.000 8.300  0 7   CYS A CB  1 ? 
ATOM   48   S  SG  . CYS A 1 7   ? -7.827  -28.781 -9.864  1.000 8.013  0 7   CYS A SG  1 ? 
ATOM   49   N  N   . GLY A 1 8   ? -11.167 -31.497 -8.008  1.000 9.120  0 8   GLY A N   1 ? 
ATOM   50   C  CA  . GLY A 1 8   ? -11.513 -32.464 -6.966  1.000 9.269  0 8   GLY A CA  1 ? 
ATOM   51   C  C   . GLY A 1 8   ? -10.648 -32.247 -5.743  1.000 9.747  0 8   GLY A C   1 ? 
ATOM   52   O  O   . GLY A 1 8   ? -9.447  -31.996 -5.854  1.000 9.847  0 8   GLY A O   1 ? 
ATOM   53   N  N   . ALA A 1 9   ? -11.220 -32.366 -4.536  1.000 10.398 0 9   ALA A N   1 ? 
ATOM   54   C  CA  . ALA A 1 9   ? -10.488 -32.038 -3.321  1.000 10.578 0 9   ALA A CA  1 ? 
ATOM   55   C  C   . ALA A 1 9   ? -9.245  -32.923 -3.151  1.000 10.747 0 9   ALA A C   1 ? 
ATOM   56   O  O   . ALA A 1 9   ? -9.329  -34.179 -3.168  1.000 11.076 0 9   ALA A O   1 ? 
ATOM   57   C  CB  . ALA A 1 9   ? -11.388 -32.176 -2.118  1.000 11.669 0 9   ALA A CB  1 ? 
ATOM   58   N  N   . ASN A 1 10  ? -8.096  -32.239 -2.995  1.000 10.110 0 10  ASN A N   1 ? 
ATOM   59   C  CA  . ASN A 1 10  ? -6.801  -32.806 -2.632  1.000 10.309 0 10  ASN A CA  1 ? 
ATOM   60   C  C   . ASN A 1 10  ? -6.292  -33.795 -3.691  1.000 9.900  0 10  ASN A C   1 ? 
ATOM   61   O  O   . ASN A 1 10  ? -5.440  -34.605 -3.427  1.000 13.698 0 10  ASN A O   1 ? 
ATOM   62   C  CB  . ASN A 1 10  ? -6.886  -33.482 -1.265  1.000 11.221 0 10  ASN A CB  1 ? 
ATOM   63   C  CG  . ASN A 1 10  ? -7.438  -32.566 -0.197  1.000 11.659 0 10  ASN A CG  1 ? 
ATOM   64   O  OD1 . ASN A 1 10  ? -8.503  -32.845 0.356   1.000 13.547 0 10  ASN A OD1 1 ? 
ATOM   65   N  ND2 . ASN A 1 10  ? -6.758  -31.435 0.043   1.000 12.240 0 10  ASN A ND2 1 ? 
ATOM   66   N  N   . THR A 1 11  ? -6.694  -33.593 -4.945  1.000 9.932  0 11  THR A N   1 ? 
ATOM   67   C  CA  . THR A 1 11  ? -6.213  -34.331 -6.104  1.000 9.256  0 11  THR A CA  1 ? 
ATOM   68   C  C   . THR A 1 11  ? -4.906  -33.774 -6.654  1.000 9.573  0 11  THR A C   1 ? 
ATOM   69   O  O   . THR A 1 11  ? -4.274  -34.401 -7.516  1.000 10.080 0 11  THR A O   1 ? 
ATOM   70   C  CB  . THR A 1 11  ? -7.260  -34.434 -7.217  1.000 9.839  0 11  THR A CB  1 ? 
ATOM   71   O  OG1 . THR A 1 11  ? -7.585  -33.104 -7.673  1.000 9.701  0 11  THR A OG1 1 ? 
ATOM   72   C  CG2 . THR A 1 11  ? -8.503  -35.178 -6.732  1.000 10.907 0 11  THR A CG2 1 ? 
ATOM   73   N  N   . VAL A 1 12  ? -4.544  -32.567 -6.191  1.000 7.995  0 12  VAL A N   1 ? 
ATOM   74   C  CA  . VAL A 1 12  ? -3.346  -31.902 -6.640  1.000 8.501  0 12  VAL A CA  1 ? 
ATOM   75   C  C   . VAL A 1 12  ? -2.585  -31.591 -5.358  1.000 8.224  0 12  VAL A C   1 ? 
ATOM   76   O  O   . VAL A 1 12  ? -2.550  -30.462 -4.856  1.000 8.023  0 12  VAL A O   1 ? 
ATOM   77   C  CB  . VAL A 1 12  ? -3.667  -30.627 -7.450  1.000 8.827  0 12  VAL A CB  1 ? 
ATOM   78   C  CG1 . VAL A 1 12  ? -2.390  -30.056 -8.053  1.000 9.038  0 12  VAL A CG1 1 ? 
ATOM   79   C  CG2 . VAL A 1 12  ? -4.711  -30.851 -8.533  1.000 10.178 0 12  VAL A CG2 1 ? 
ATOM   80   N  N   . PRO A 1 13  ? -1.941  -32.584 -4.729  1.000 8.068  0 13  PRO A N   1 ? 
ATOM   81   C  CA  . PRO A 1 13  ? -1.528  -32.428 -3.335  1.000 8.007  0 13  PRO A CA  1 ? 
ATOM   82   C  C   . PRO A 1 13  ? -0.289  -31.564 -3.063  1.000 8.258  0 13  PRO A C   1 ? 
ATOM   83   O  O   . PRO A 1 13  ? -0.054  -31.188 -1.929  1.000 7.286  0 13  PRO A O   1 ? 
ATOM   84   C  CB  . PRO A 1 13  ? -1.317  -33.905 -2.936  1.000 9.031  0 13  PRO A CB  1 ? 
ATOM   85   C  CG  . PRO A 1 13  ? -0.880  -34.570 -4.211  1.000 8.926  0 13  PRO A CG  1 ? 
ATOM   86   C  CD  . PRO A 1 13  ? -1.758  -33.964 -5.263  1.000 9.138  0 13  PRO A CD  1 ? 
ATOM   87   N  N   . TYR A 1 14  ? 0.390   -31.162 -4.135  1.000 7.968  0 14  TYR A N   1 ? 
ATOM   88   C  CA  . TYR A 1 14  ? 1.506   -30.222 -4.092  1.000 7.509  0 14  TYR A CA  1 ? 
ATOM   89   C  C   . TYR A 1 14  ? 1.078   -28.760 -4.271  1.000 7.935  0 14  TYR A C   1 ? 
ATOM   90   O  O   . TYR A 1 14  ? 1.931   -27.882 -4.099  1.000 7.119  0 14  TYR A O   1 ? 
ATOM   91   C  CB  . TYR A 1 14  ? 2.524   -30.602 -5.175  1.000 7.929  0 14  TYR A CB  1 ? 
ATOM   92   C  CG  . TYR A 1 14  ? 1.909   -30.743 -6.540  1.000 7.310  0 14  TYR A CG  1 ? 
ATOM   93   C  CD1 . TYR A 1 14  ? 1.648   -29.623 -7.338  1.000 7.587  0 14  TYR A CD1 1 ? 
ATOM   94   C  CD2 . TYR A 1 14  ? 1.498   -31.972 -7.013  1.000 8.241  0 14  TYR A CD2 1 ? 
ATOM   95   C  CE1 . TYR A 1 14  ? 1.098   -29.757 -8.593  1.000 7.232  0 14  TYR A CE1 1 ? 
ATOM   96   C  CE2 . TYR A 1 14  ? 0.905   -32.117 -8.253  1.000 7.889  0 14  TYR A CE2 1 ? 
ATOM   97   C  CZ  . TYR A 1 14  ? 0.663   -31.008 -9.028  1.000 8.464  0 14  TYR A CZ  1 ? 
ATOM   98   O  OH  . TYR A 1 14  ? 0.049   -31.156 -10.260 1.000 8.777  0 14  TYR A OH  1 ? 
ATOM   99   N  N   . GLN A 1 15  ? -0.200  -28.491 -4.599  1.000 6.698  0 15  GLN A N   1 ? 
ATOM   100  C  CA  . GLN A 1 15  ? -0.697  -27.152 -4.818  1.000 7.303  0 15  GLN A CA  1 ? 
ATOM   101  C  C   . GLN A 1 15  ? -0.824  -26.457 -3.468  1.000 7.435  0 15  GLN A C   1 ? 
ATOM   102  O  O   . GLN A 1 15  ? -1.492  -26.963 -2.560  1.000 8.564  0 15  GLN A O   1 ? 
ATOM   103  C  CB  . GLN A 1 15  ? -2.046  -27.192 -5.521  1.000 7.805  0 15  GLN A CB  1 ? 
ATOM   104  C  CG  . GLN A 1 15  ? -2.686  -25.819 -5.614  1.000 7.788  0 15  GLN A CG  1 ? 
ATOM   105  C  CD  . GLN A 1 15  ? -2.172  -24.987 -6.758  1.000 7.820  0 15  GLN A CD  1 ? 
ATOM   106  O  OE1 . GLN A 1 15  ? -2.196  -25.384 -7.926  1.000 8.498  0 15  GLN A OE1 1 ? 
ATOM   107  N  NE2 . GLN A 1 15  ? -1.822  -23.721 -6.483  1.000 8.925  0 15  GLN A NE2 1 ? 
ATOM   108  N  N   . VAL A 1 16  ? -0.220  -25.270 -3.355  1.000 7.632  0 16  VAL A N   1 ? 
ATOM   109  C  CA  . VAL A 1 16  ? -0.390  -24.456 -2.159  1.000 8.554  0 16  VAL A CA  1 ? 
ATOM   110  C  C   . VAL A 1 16  ? -1.040  -23.111 -2.509  1.000 8.484  0 16  VAL A C   1 ? 
ATOM   111  O  O   . VAL A 1 16  ? -0.984  -22.645 -3.664  1.000 7.131  0 16  VAL A O   1 ? 
ATOM   112  C  CB  . VAL A 1 16  ? 0.892   -24.269 -1.356  1.000 12.071 0 16  VAL A CB  1 ? 
ATOM   113  C  CG1 . VAL A 1 16  ? 1.696   -25.567 -1.221  1.000 13.517 0 16  VAL A CG1 1 ? 
ATOM   114  C  CG2 . VAL A 1 16  ? 1.749   -23.194 -1.866  1.000 12.472 0 16  VAL A CG2 1 ? 
ATOM   115  N  N   . SER A 1 17  ? -1.707  -22.523 -1.511  1.000 7.431  0 17  SER A N   1 ? 
ATOM   116  C  CA  . SER A 1 17  ? -2.178  -21.146 -1.561  1.000 7.768  0 17  SER A CA  1 ? 
ATOM   117  C  C   . SER A 1 17  ? -1.265  -20.287 -0.686  1.000 8.170  0 17  SER A C   1 ? 
ATOM   118  O  O   . SER A 1 17  ? -0.987  -20.671 0.448   1.000 8.580  0 17  SER A O   1 ? 
ATOM   119  C  CB  . SER A 1 17  ? -3.624  -21.085 -1.130  1.000 7.328  0 17  SER A CB  1 ? 
ATOM   120  O  OG  . SER A 1 17  ? -3.992  -19.714 -0.863  1.000 7.108  0 17  SER A OG  1 ? 
ATOM   121  N  N   . LEU A 1 18  ? -0.807  -19.154 -1.206  1.000 7.829  0 18  LEU A N   1 ? 
ATOM   122  C  CA  . LEU A 1 18  ? -0.107  -18.162 -0.431  1.000 8.083  0 18  LEU A CA  1 ? 
ATOM   123  C  C   . LEU A 1 18  ? -1.125  -17.136 0.052   1.000 7.660  0 18  LEU A C   1 ? 
ATOM   124  O  O   . LEU A 1 18  ? -1.884  -16.587 -0.740  1.000 6.996  0 18  LEU A O   1 ? 
ATOM   125  C  CB  . LEU A 1 18  ? 0.985   -17.492 -1.250  1.000 8.229  0 18  LEU A CB  1 ? 
ATOM   126  C  CG  . LEU A 1 18  ? 2.007   -18.378 -1.951  1.000 9.219  0 18  LEU A CG  1 ? 
ATOM   127  C  CD1 . LEU A 1 18  ? 3.048   -17.513 -2.666  1.000 10.124 0 18  LEU A CD1 1 ? 
ATOM   128  C  CD2 . LEU A 1 18  ? 2.681   -19.319 -0.975  1.000 9.355  0 18  LEU A CD2 1 ? 
ATOM   129  N  N   . ASN A 1 19  ? -1.108  -16.912 1.379   1.000 7.655  0 19  ASN A N   1 ? 
ATOM   130  C  CA  . ASN A 1 19  ? -2.113  -16.134 2.075   1.000 8.371  0 19  ASN A CA  1 ? 
ATOM   131  C  C   . ASN A 1 19  ? -1.448  -15.025 2.879   1.000 8.983  0 19  ASN A C   1 ? 
ATOM   132  O  O   . ASN A 1 19  ? -0.547  -15.260 3.665   1.000 9.323  0 19  ASN A O   1 ? 
ATOM   133  C  CB  . ASN A 1 19  ? -2.968  -17.050 2.936   1.000 8.608  0 19  ASN A CB  1 ? 
ATOM   134  C  CG  . ASN A 1 19  ? -4.143  -16.375 3.616   1.000 8.419  0 19  ASN A CG  1 ? 
ATOM   135  O  OD1 . ASN A 1 19  ? -3.919  -15.600 4.541   1.000 9.156  0 19  ASN A OD1 1 ? 
ATOM   136  N  ND2 . ASN A 1 19  ? -5.352  -16.585 3.107   1.000 8.892  0 19  ASN A ND2 1 ? 
ATOM   137  N  N   . SER A 1 20  ? -1.957  -13.795 2.701   1.000 8.986  0 20  SER A N   1 ? 
ATOM   138  C  CA  . SER A 1 20  ? -1.503  -12.653 3.496   1.000 10.182 0 20  SER A CA  1 ? 
ATOM   139  C  C   . SER A 1 20  ? -2.698  -11.952 4.111   1.000 11.236 0 20  SER A C   1 ? 
ATOM   140  O  O   . SER A 1 20  ? -2.813  -10.742 4.033   1.000 12.705 0 20  SER A O   1 ? 
ATOM   141  C  CB  . SER A 1 20  ? -0.696  -11.671 2.680   1.000 11.506 0 20  SER A CB  1 ? 
ATOM   142  O  OG  . SER A 1 20  ? -1.432  -11.119 1.608   1.000 15.528 0 20  SER A OG  1 ? 
ATOM   143  N  N   . GLY A 1 21  ? -3.624  -12.745 4.611   1.000 10.626 0 21  GLY A N   1 ? 
ATOM   144  C  CA  . GLY A 1 21  ? -4.945  -12.260 5.017   1.000 10.539 0 21  GLY A CA  1 ? 
ATOM   145  C  C   . GLY A 1 21  ? -6.036  -12.669 4.036   1.000 10.964 0 21  GLY A C   1 ? 
ATOM   146  O  O   . GLY A 1 21  ? -7.235  -12.496 4.294   1.000 10.995 0 21  GLY A O   1 ? 
ATOM   147  N  N   . TYR A 1 22  ? -5.606  -13.172 2.851   1.000 9.695  0 22  TYR A N   1 ? 
ATOM   148  C  CA  . TYR A 1 22  ? -6.434  -13.466 1.692   1.000 9.521  0 22  TYR A CA  1 ? 
ATOM   149  C  C   . TYR A 1 22  ? -5.497  -14.262 0.776   1.000 8.024  0 22  TYR A C   1 ? 
ATOM   150  O  O   . TYR A 1 22  ? -4.277  -14.078 0.845   1.000 8.257  0 22  TYR A O   1 ? 
ATOM   151  C  CB  . TYR A 1 22  ? -6.952  -12.187 1.016   1.000 10.325 0 22  TYR A CB  1 ? 
ATOM   152  C  CG  . TYR A 1 22  ? -5.868  -11.171 0.812   1.000 11.243 0 22  TYR A CG  1 ? 
ATOM   153  C  CD1 . TYR A 1 22  ? -5.005  -11.240 -0.272  1.000 12.631 0 22  TYR A CD1 1 ? 
ATOM   154  C  CD2 . TYR A 1 22  ? -5.627  -10.203 1.786   1.000 12.461 0 22  TYR A CD2 1 ? 
ATOM   155  C  CE1 . TYR A 1 22  ? -4.003  -10.292 -0.437  1.000 13.080 0 22  TYR A CE1 1 ? 
ATOM   156  C  CE2 . TYR A 1 22  ? -4.591  -9.309  1.670   1.000 13.937 0 22  TYR A CE2 1 ? 
ATOM   157  C  CZ  . TYR A 1 22  ? -3.785  -9.363  0.564   1.000 14.890 0 22  TYR A CZ  1 ? 
ATOM   158  O  OH  . TYR A 1 22  ? -2.703  -8.540  0.427   1.000 19.253 0 22  TYR A OH  1 ? 
ATOM   159  N  N   . HIS A 1 23  ? -6.068  -15.109 -0.072  1.000 7.680  0 23  HIS A N   1 ? 
ATOM   160  C  CA  . HIS A 1 23  ? -5.289  -15.796 -1.131  1.000 8.184  0 23  HIS A CA  1 ? 
ATOM   161  C  C   . HIS A 1 23  ? -4.766  -14.770 -2.131  1.000 8.020  0 23  HIS A C   1 ? 
ATOM   162  O  O   . HIS A 1 23  ? -5.571  -14.008 -2.644  1.000 8.274  0 23  HIS A O   1 ? 
ATOM   163  C  CB  . HIS A 1 23  ? -6.186  -16.813 -1.865  1.000 8.127  0 23  HIS A CB  1 ? 
ATOM   164  C  CG  . HIS A 1 23  ? -5.560  -17.309 -3.129  1.000 7.981  0 23  HIS A CG  1 ? 
ATOM   165  N  ND1 . HIS A 1 23  ? -4.697  -18.364 -3.126  1.000 7.808  0 23  HIS A ND1 1 ? 
ATOM   166  C  CD2 . HIS A 1 23  ? -5.663  -16.899 -4.436  1.000 9.079  0 23  HIS A CD2 1 ? 
ATOM   167  C  CE1 . HIS A 1 23  ? -4.262  -18.575 -4.374  1.000 8.101  0 23  HIS A CE1 1 ? 
ATOM   168  N  NE2 . HIS A 1 23  ? -4.825  -17.695 -5.194  1.000 9.006  0 23  HIS A NE2 1 ? 
ATOM   169  N  N   . PHE A 1 24  ? -3.476  -14.824 -2.502  1.000 7.879  0 24  PHE A N   1 ? 
ATOM   170  C  CA  . PHE A 1 24  ? -2.997  -13.916 -3.521  1.000 7.917  0 24  PHE A CA  1 ? 
ATOM   171  C  C   . PHE A 1 24  ? -2.172  -14.591 -4.611  1.000 8.474  0 24  PHE A C   1 ? 
ATOM   172  O  O   . PHE A 1 24  ? -1.965  -13.971 -5.651  1.000 9.444  0 24  PHE A O   1 ? 
ATOM   173  C  CB  . PHE A 1 24  ? -2.239  -12.754 -2.874  1.000 8.939  0 24  PHE A CB  1 ? 
ATOM   174  C  CG  . PHE A 1 24  ? -0.966  -13.136 -2.216  1.000 8.517  0 24  PHE A CG  1 ? 
ATOM   175  C  CD1 . PHE A 1 24  ? 0.209   -13.149 -2.974  1.000 9.726  0 24  PHE A CD1 1 ? 
ATOM   176  C  CD2 . PHE A 1 24  ? -0.887  -13.517 -0.885  1.000 8.307  0 24  PHE A CD2 1 ? 
ATOM   177  C  CE1 . PHE A 1 24  ? 1.398   -13.547 -2.392  1.000 9.031  0 24  PHE A CE1 1 ? 
ATOM   178  C  CE2 . PHE A 1 24  ? 0.315   -13.831 -0.294  1.000 8.974  0 24  PHE A CE2 1 ? 
ATOM   179  C  CZ  . PHE A 1 24  ? 1.451   -13.917 -1.080  1.000 8.594  0 24  PHE A CZ  1 ? 
ATOM   180  N  N   . CYS A 1 25  ? -1.743  -15.841 -4.412  1.000 7.303  0 25  CYS A N   1 ? 
ATOM   181  C  CA  . CYS A 1 25  ? -0.887  -16.500 -5.387  1.000 6.593  0 25  CYS A CA  1 ? 
ATOM   182  C  C   . CYS A 1 25  ? -0.850  -17.988 -5.071  1.000 5.962  0 25  CYS A C   1 ? 
ATOM   183  O  O   . CYS A 1 25  ? -1.147  -18.396 -3.942  1.000 7.499  0 25  CYS A O   1 ? 
ATOM   184  C  CB  . CYS A 1 25  ? 0.563   -15.991 -5.414  1.000 6.948  0 25  CYS A CB  1 ? 
ATOM   185  S  SG  . CYS A 1 25  ? 0.874   -14.531 -6.496  1.000 6.841  0 25  CYS A SG  1 ? 
ATOM   186  N  N   . GLY A 1 26  ? -0.518  -18.798 -6.075  1.000 6.558  0 26  GLY A N   1 ? 
ATOM   187  C  CA  . GLY A 1 26  ? -0.228  -20.212 -5.854  1.000 6.465  0 26  GLY A CA  1 ? 
ATOM   188  C  C   . GLY A 1 26  ? 1.245   -20.492 -5.622  1.000 6.485  0 26  GLY A C   1 ? 
ATOM   189  O  O   . GLY A 1 26  ? 2.078   -19.610 -5.663  1.000 6.751  0 26  GLY A O   1 ? 
ATOM   190  N  N   . GLY A 1 27  ? 1.520   -21.780 -5.385  1.000 6.712  0 27  GLY A N   1 ? 
ATOM   191  C  CA  . GLY A 1 27  ? 2.879   -22.241 -5.214  1.000 6.466  0 27  GLY A CA  1 ? 
ATOM   192  C  C   . GLY A 1 27  ? 2.862   -23.753 -5.271  1.000 6.454  0 27  GLY A C   1 ? 
ATOM   193  O  O   . GLY A 1 27  ? 1.760   -24.318 -5.302  1.000 7.366  0 27  GLY A O   1 ? 
ATOM   194  N  N   . SER A 1 28  ? 4.037   -24.339 -5.279  1.000 6.774  0 28  SER A N   1 ? 
ATOM   195  C  CA  . SER A 1 28  ? 4.239   -25.785 -5.357  1.000 7.049  0 28  SER A CA  1 ? 
ATOM   196  C  C   . SER A 1 28  ? 5.130   -26.222 -4.196  1.000 7.427  0 28  SER A C   1 ? 
ATOM   197  O  O   . SER A 1 28  ? 6.234   -25.697 -4.031  1.000 7.926  0 28  SER A O   1 ? 
ATOM   198  C  CB  . SER A 1 28  ? 4.818   -26.239 -6.664  1.000 7.607  0 28  SER A CB  1 ? 
ATOM   199  O  OG  . SER A 1 28  ? 4.006   -25.823 -7.756  1.000 9.353  0 28  SER A OG  1 ? 
ATOM   200  N  N   . LEU A 1 29  ? 4.690   -27.257 -3.482  1.000 6.893  0 29  LEU A N   1 ? 
ATOM   201  C  CA  . LEU A 1 29  ? 5.509   -27.847 -2.430  1.000 7.697  0 29  LEU A CA  1 ? 
ATOM   202  C  C   . LEU A 1 29  ? 6.558   -28.765 -3.049  1.000 8.342  0 29  LEU A C   1 ? 
ATOM   203  O  O   . LEU A 1 29  ? 6.182   -29.698 -3.761  1.000 7.933  0 29  LEU A O   1 ? 
ATOM   204  C  CB  . LEU A 1 29  ? 4.584   -28.633 -1.494  1.000 8.368  0 29  LEU A CB  1 ? 
ATOM   205  C  CG  . LEU A 1 29  ? 5.222   -29.092 -0.187  1.000 9.700  0 29  LEU A CG  1 ? 
ATOM   206  C  CD1 . LEU A 1 29  ? 5.584   -27.920 0.723   1.000 9.584  0 29  LEU A CD1 1 ? 
ATOM   207  C  CD2 . LEU A 1 29  ? 4.304   -30.064 0.542   1.000 11.313 0 29  LEU A CD2 1 ? 
ATOM   208  N  N   . ILE A 1 30  ? 7.842   -28.540 -2.785  1.000 9.314  0 30  ILE A N   1 ? 
ATOM   209  C  CA  . ILE A 1 30  ? 8.882   -29.355 -3.428  1.000 10.477 0 30  ILE A CA  1 ? 
ATOM   210  C  C   . ILE A 1 30  ? 9.621   -30.228 -2.412  1.000 10.748 0 30  ILE A C   1 ? 
ATOM   211  O  O   . ILE A 1 30  ? 10.344  -31.106 -2.860  1.000 11.897 0 30  ILE A O   1 ? 
ATOM   212  C  CB  . ILE A 1 30  ? 9.855   -28.536 -4.282  1.000 11.662 0 30  ILE A CB  1 ? 
ATOM   213  C  CG1 . ILE A 1 30  ? 10.551  -27.418 -3.505  1.000 12.191 0 30  ILE A CG1 1 ? 
ATOM   214  C  CG2 . ILE A 1 30  ? 9.139   -28.051 -5.547  1.000 11.369 0 30  ILE A CG2 1 ? 
ATOM   215  C  CD1 . ILE A 1 30  ? 11.681  -26.760 -4.322  1.000 13.638 0 30  ILE A CD1 1 ? 
ATOM   216  N  N   . ASN A 1 31  ? 9.479   -29.943 -1.110  1.000 10.643 0 31  ASN A N   1 ? 
ATOM   217  C  CA  . ASN A 1 31  ? 9.843   -30.863 -0.042  1.000 10.930 0 31  ASN A CA  1 ? 
ATOM   218  C  C   . ASN A 1 31  ? 9.074   -30.463 1.198   1.000 11.068 0 31  ASN A C   1 ? 
ATOM   219  O  O   . ASN A 1 31  ? 8.258   -29.523 1.161   1.000 11.845 0 31  ASN A O   1 ? 
ATOM   220  C  CB  . ASN A 1 31  ? 11.370  -30.984 0.129   1.000 11.730 0 31  ASN A CB  1 ? 
ATOM   221  C  CG  . ASN A 1 31  ? 12.024  -29.726 0.642   1.000 13.295 0 31  ASN A CG  1 ? 
ATOM   222  O  OD1 . ASN A 1 31  ? 11.458  -28.949 1.395   1.000 11.885 0 31  ASN A OD1 1 ? 
ATOM   223  N  ND2 . ASN A 1 31  ? 13.288  -29.581 0.281   1.000 17.256 0 31  ASN A ND2 1 ? 
ATOM   224  N  N   . SER A 1 32  ? 9.320   -31.090 2.342   1.000 10.491 0 32  SER A N   1 ? 
ATOM   225  C  CA  . SER A 1 32  ? 8.502   -30.786 3.498   1.000 10.913 0 32  SER A CA  1 ? 
ATOM   226  C  C   . SER A 1 32  ? 8.632   -29.358 4.005   1.000 10.722 0 32  SER A C   1 ? 
ATOM   227  O  O   . SER A 1 32  ? 7.771   -28.907 4.785   1.000 13.306 0 32  SER A O   1 ? 
ATOM   228  C  CB  . SER A 1 32  ? 8.764   -31.741 4.684   1.000 10.951 0 32  SER A CB  1 ? 
ATOM   229  O  OG  . SER A 1 32  ? 10.084  -31.600 5.146   1.000 12.868 0 32  SER A OG  1 ? 
ATOM   230  N  N   . GLN A 1 33  ? 9.688   -28.620 3.609   1.000 11.143 0 33  GLN A N   1 ? 
ATOM   231  C  CA  . GLN A 1 33  ? 9.947   -27.314 4.199   1.000 11.641 0 33  GLN A CA  1 ? 
ATOM   232  C  C   . GLN A 1 33  ? 10.011  -26.177 3.172   1.000 9.562  0 33  GLN A C   1 ? 
ATOM   233  O  O   . GLN A 1 33  ? 10.222  -25.028 3.572   1.000 10.620 0 33  GLN A O   1 ? 
ATOM   234  C  CB  . GLN A 1 33  ? 11.299  -27.276 4.940   1.000 15.221 0 33  GLN A CB  1 ? 
ATOM   235  C  CG  . GLN A 1 33  ? 11.497  -28.270 6.059   1.000 23.870 0 33  GLN A CG  1 ? 
ATOM   236  C  CD  . GLN A 1 33  ? 12.817  -27.937 6.725   1.000 23.744 0 33  GLN A CD  1 ? 
ATOM   237  O  OE1 . GLN A 1 33  ? 13.903  -28.371 6.296   1.000 34.483 0 33  GLN A OE1 1 ? 
ATOM   238  N  NE2 . GLN A 1 33  ? 12.721  -27.052 7.679   1.000 26.600 0 33  GLN A NE2 1 ? 
ATOM   239  N  N   . TRP A 1 34  ? 9.845   -26.484 1.887   1.000 8.324  0 34  TRP A N   1 ? 
ATOM   240  C  CA  . TRP A 1 34  ? 10.086  -25.490 0.841   1.000 8.378  0 34  TRP A CA  1 ? 
ATOM   241  C  C   . TRP A 1 34  ? 8.994   -25.499 -0.221  1.000 8.817  0 34  TRP A C   1 ? 
ATOM   242  O  O   . TRP A 1 34  ? 8.576   -26.545 -0.716  1.000 8.250  0 34  TRP A O   1 ? 
ATOM   243  C  CB  . TRP A 1 34  ? 11.429  -25.697 0.150   1.000 9.240  0 34  TRP A CB  1 ? 
ATOM   244  C  CG  . TRP A 1 34  ? 12.621  -25.374 0.997   1.000 9.624  0 34  TRP A CG  1 ? 
ATOM   245  C  CD1 . TRP A 1 34  ? 13.293  -26.208 1.853   1.000 10.321 0 34  TRP A CD1 1 ? 
ATOM   246  C  CD2 . TRP A 1 34  ? 13.301  -24.115 1.043   1.000 9.534  0 34  TRP A CD2 1 ? 
ATOM   247  N  NE1 . TRP A 1 34  ? 14.321  -25.539 2.448   1.000 9.915  0 34  TRP A NE1 1 ? 
ATOM   248  C  CE2 . TRP A 1 34  ? 14.384  -24.258 1.961   1.000 10.154 0 34  TRP A CE2 1 ? 
ATOM   249  C  CE3 . TRP A 1 34  ? 13.102  -22.874 0.427   1.000 10.178 0 34  TRP A CE3 1 ? 
ATOM   250  C  CZ2 . TRP A 1 34  ? 15.265  -23.211 2.242   1.000 11.086 0 34  TRP A CZ2 1 ? 
ATOM   251  C  CZ3 . TRP A 1 34  ? 13.940  -21.829 0.732   1.000 11.500 0 34  TRP A CZ3 1 ? 
ATOM   252  C  CH2 . TRP A 1 34  ? 15.024  -21.990 1.627   1.000 11.311 0 34  TRP A CH2 1 ? 
ATOM   253  N  N   . VAL A 1 35  ? 8.687   -24.265 -0.653  1.000 8.098  0 35  VAL A N   1 ? 
ATOM   254  C  CA  . VAL A 1 35  ? 7.713   -23.994 -1.693  1.000 8.716  0 35  VAL A CA  1 ? 
ATOM   255  C  C   . VAL A 1 35  ? 8.388   -23.187 -2.798  1.000 8.237  0 35  VAL A C   1 ? 
ATOM   256  O  O   . VAL A 1 35  ? 9.177   -22.272 -2.539  1.000 8.263  0 35  VAL A O   1 ? 
ATOM   257  C  CB  . VAL A 1 35  ? 6.529   -23.206 -1.090  1.000 8.346  0 35  VAL A CB  1 ? 
ATOM   258  C  CG1 . VAL A 1 35  ? 5.647   -22.585 -2.189  1.000 8.664  0 35  VAL A CG1 1 ? 
ATOM   259  C  CG2 . VAL A 1 35  ? 5.683   -24.105 -0.203  1.000 9.810  0 35  VAL A CG2 1 ? 
ATOM   260  N  N   . VAL A 1 36  ? 8.017   -23.486 -4.049  1.000 7.615  0 36  VAL A N   1 ? 
ATOM   261  C  CA  . VAL A 1 36  ? 8.435   -22.644 -5.153  1.000 8.944  0 36  VAL A CA  1 ? 
ATOM   262  C  C   . VAL A 1 36  ? 7.233   -21.859 -5.680  1.000 7.385  0 36  VAL A C   1 ? 
ATOM   263  O  O   . VAL A 1 36  ? 6.115   -22.390 -5.817  1.000 8.505  0 36  VAL A O   1 ? 
ATOM   264  C  CB  . VAL A 1 36  ? 9.161   -23.452 -6.219  1.000 12.188 0 36  VAL A CB  1 ? 
ATOM   265  C  CG1 . VAL A 1 36  ? 8.242   -24.435 -6.811  1.000 13.283 0 36  VAL A CG1 1 ? 
ATOM   266  C  CG2 . VAL A 1 36  ? 9.864   -22.573 -7.261  1.000 16.624 0 36  VAL A CG2 1 ? 
ATOM   267  N  N   . SER A 1 37  ? 7.478   -20.592 -5.991  1.000 6.513  0 37  SER A N   1 ? 
ATOM   268  C  CA  . SER A 1 37  ? 6.401   -19.756 -6.514  1.000 6.356  0 37  SER A CA  1 ? 
ATOM   269  C  C   . SER A 1 37  ? 7.040   -18.767 -7.510  1.000 6.392  0 37  SER A C   1 ? 
ATOM   270  O  O   . SER A 1 37  ? 8.174   -18.945 -7.947  1.000 6.050  0 37  SER A O   1 ? 
ATOM   271  C  CB  . SER A 1 37  ? 5.634   -19.075 -5.361  1.000 6.396  0 37  SER A CB  1 ? 
ATOM   272  O  OG  . SER A 1 37  ? 4.498   -18.300 -5.784  1.000 6.104  0 37  SER A OG  1 ? 
ATOM   273  N  N   . ALA A 1 38  ? 6.283   -17.723 -7.888  1.000 5.772  0 38  ALA A N   1 ? 
ATOM   274  C  CA  . ALA A 1 38  ? 6.761   -16.704 -8.812  1.000 5.672  0 38  ALA A CA  1 ? 
ATOM   275  C  C   . ALA A 1 38  ? 7.327   -15.527 -8.028  1.000 6.179  0 38  ALA A C   1 ? 
ATOM   276  O  O   . ALA A 1 38  ? 6.768   -15.136 -7.008  1.000 6.686  0 38  ALA A O   1 ? 
ATOM   277  C  CB  . ALA A 1 38  ? 5.637   -16.208 -9.723  1.000 5.853  0 38  ALA A CB  1 ? 
ATOM   278  N  N   . ALA A 1 39  ? 8.493   -14.993 -8.434  1.000 5.862  0 39  ALA A N   1 ? 
ATOM   279  C  CA  . ALA A 1 39  ? 9.015   -13.807 -7.785  1.000 5.852  0 39  ALA A CA  1 ? 
ATOM   280  C  C   . ALA A 1 39  ? 8.055   -12.631 -7.777  1.000 5.850  0 39  ALA A C   1 ? 
ATOM   281  O  O   . ALA A 1 39  ? 8.144   -11.837 -6.858  1.000 7.108  0 39  ALA A O   1 ? 
ATOM   282  C  CB  . ALA A 1 39  ? 10.325  -13.433 -8.409  1.000 5.959  0 39  ALA A CB  1 ? 
ATOM   283  N  N   . HIS A 1 40  ? 7.191   -12.477 -8.801  1.000 6.369  0 40  HIS A N   1 ? 
ATOM   284  C  CA  . HIS A 1 40  ? 6.247   -11.371 -8.802  1.000 6.793  0 40  HIS A CA  1 ? 
ATOM   285  C  C   . HIS A 1 40  ? 5.167   -11.504 -7.742  1.000 7.802  0 40  HIS A C   1 ? 
ATOM   286  O  O   . HIS A 1 40  ? 4.472   -10.515 -7.516  1.000 8.807  0 40  HIS A O   1 ? 
ATOM   287  C  CB  . HIS A 1 40  ? 5.724   -11.117 -10.216 1.000 7.152  0 40  HIS A CB  1 ? 
ATOM   288  C  CG  . HIS A 1 40  ? 4.532   -11.912 -10.624 1.000 6.792  0 40  HIS A CG  1 ? 
ATOM   289  N  ND1 . HIS A 1 40  ? 4.575   -12.995 -11.491 1.000 6.749  0 40  HIS A ND1 1 ? 
ATOM   290  C  CD2 . HIS A 1 40  ? 3.214   -11.742 -10.304 1.000 7.266  0 40  HIS A CD2 1 ? 
ATOM   291  C  CE1 . HIS A 1 40  ? 3.324   -13.420 -11.706 1.000 8.086  0 40  HIS A CE1 1 ? 
ATOM   292  N  NE2 . HIS A 1 40  ? 2.465   -12.681 -10.969 1.000 7.712  0 40  HIS A NE2 1 ? 
ATOM   293  N  N   . CYS A 1 41  ? 5.104   -12.658 -7.062  1.000 7.713  0 41  CYS A N   1 ? 
ATOM   294  C  CA  . CYS A 1 41  ? 4.258   -12.887 -5.932  1.000 8.377  0 41  CYS A CA  1 ? 
ATOM   295  C  C   . CYS A 1 41  ? 4.933   -12.500 -4.621  1.000 9.671  0 41  CYS A C   1 ? 
ATOM   296  O  O   . CYS A 1 41  ? 4.302   -12.655 -3.570  1.000 11.605 0 41  CYS A O   1 ? 
ATOM   297  C  CB  . CYS A 1 41  ? 3.861   -14.352 -5.839  1.000 7.686  0 41  CYS A CB  1 ? 
ATOM   298  S  SG  . CYS A 1 41  ? 2.737   -14.907 -7.169  1.000 8.067  0 41  CYS A SG  1 ? 
ATOM   299  N  N   . TYR A 1 42  ? 6.185   -12.023 -4.622  1.000 7.994  0 42  TYR A N   1 ? 
ATOM   300  C  CA  . TYR A 1 42  ? 6.815   -11.676 -3.375  1.000 8.792  0 42  TYR A CA  1 ? 
ATOM   301  C  C   . TYR A 1 42  ? 5.980   -10.674 -2.573  1.000 8.280  0 42  TYR A C   1 ? 
ATOM   302  O  O   . TYR A 1 42  ? 5.599   -9.636  -3.062  1.000 10.056 0 42  TYR A O   1 ? 
ATOM   303  C  CB  . TYR A 1 42  ? 8.228   -11.151 -3.660  1.000 9.115  0 42  TYR A CB  1 ? 
ATOM   304  C  CG  . TYR A 1 42  ? 8.835   -10.546 -2.417  1.000 10.380 0 42  TYR A CG  1 ? 
ATOM   305  C  CD1 . TYR A 1 42  ? 9.343   -11.355 -1.429  1.000 12.072 0 42  TYR A CD1 1 ? 
ATOM   306  C  CD2 . TYR A 1 42  ? 8.793   -9.205  -2.214  1.000 11.737 0 42  TYR A CD2 1 ? 
ATOM   307  C  CE1 . TYR A 1 42  ? 9.736   -10.804 -0.217  1.000 14.290 0 42  TYR A CE1 1 ? 
ATOM   308  C  CE2 . TYR A 1 42  ? 9.181   -8.642  -1.008  1.000 13.766 0 42  TYR A CE2 1 ? 
ATOM   309  C  CZ  . TYR A 1 42  ? 9.627   -9.461  -0.023  1.000 15.200 0 42  TYR A CZ  1 ? 
ATOM   310  O  OH  . TYR A 1 42  ? 10.079  -8.917  1.161   1.000 22.625 0 42  TYR A OH  1 ? 
ATOM   311  N  N   . LYS A 1 43  ? 5.934   -10.960 -1.255  1.000 9.890  0 43  LYS A N   1 ? 
ATOM   312  C  CA  . LYS A 1 43  ? 5.616   -9.990  -0.230  1.000 11.642 0 43  LYS A CA  1 ? 
ATOM   313  C  C   . LYS A 1 43  ? 6.059   -10.532 1.111   1.000 11.427 0 43  LYS A C   1 ? 
ATOM   314  O  O   . LYS A 1 43  ? 6.341   -11.719 1.243   1.000 11.590 0 43  LYS A O   1 ? 
ATOM   315  C  CB  . LYS A 1 43  ? 4.142   -9.644  -0.239  1.000 15.824 0 43  LYS A CB  1 ? 
ATOM   316  C  CG  . LYS A 1 43  ? 3.268   -10.804 0.039   1.000 16.080 0 43  LYS A CG  1 ? 
ATOM   317  C  CD  . LYS A 1 43  ? 1.838   -10.389 0.275   1.000 16.732 0 43  LYS A CD  1 ? 
ATOM   318  C  CE  . LYS A 1 43  ? 1.138   -9.981  -0.981  1.000 15.432 0 43  LYS A CE  1 ? 
ATOM   319  N  NZ  . LYS A 1 43  ? -0.252  -9.578  -0.647  1.000 20.221 0 43  LYS A NZ  1 ? 
ATOM   320  N  N   . SER A 1 44  ? 6.131   -9.634  2.108   1.000 12.108 0 44  SER A N   1 ? 
ATOM   321  C  CA  . SER A 1 44  ? 6.431   -10.115 3.443   1.000 13.696 0 44  SER A CA  1 ? 
ATOM   322  C  C   . SER A 1 44  ? 5.146   -10.627 4.089   1.000 12.304 0 44  SER A C   1 ? 
ATOM   323  O  O   . SER A 1 44  ? 4.011   -10.353 3.656   1.000 14.749 0 44  SER A O   1 ? 
ATOM   324  C  CB  . SER A 1 44  ? 7.083   -9.031  4.266   1.000 16.336 0 44  SER A CB  1 ? 
ATOM   325  O  OG  . SER A 1 44  ? 6.198   -7.984  4.343   1.000 20.020 0 44  SER A OG  1 ? 
ATOM   326  N  N   . GLY A 1 45  ? 5.315   -11.406 5.138   1.000 12.886 0 45  GLY A N   1 ? 
ATOM   327  C  CA  . GLY A 1 45  ? 4.136   -11.804 5.906   1.000 14.822 0 45  GLY A CA  1 ? 
ATOM   328  C  C   . GLY A 1 45  ? 3.308   -12.935 5.281   1.000 15.673 0 45  GLY A C   1 ? 
ATOM   329  O  O   . GLY A 1 45  ? 2.089   -12.992 5.468   1.000 20.459 0 45  GLY A O   1 ? 
ATOM   330  N  N   . ILE A 1 46  ? 3.962   -13.897 4.630   1.000 13.858 0 46  ILE A N   1 ? 
ATOM   331  C  CA  . ILE A 1 46  ? 3.238   -14.954 3.902   1.000 12.536 0 46  ILE A CA  1 ? 
ATOM   332  C  C   . ILE A 1 46  ? 2.927   -16.096 4.875   1.000 10.735 0 46  ILE A C   1 ? 
ATOM   333  O  O   . ILE A 1 46  ? 3.830   -16.554 5.592   1.000 11.950 0 46  ILE A O   1 ? 
ATOM   334  C  CB  . ILE A 1 46  ? 4.068   -15.479 2.688   1.000 12.003 0 46  ILE A CB  1 ? 
ATOM   335  C  CG1 . ILE A 1 46  ? 4.223   -14.353 1.672   1.000 14.660 0 46  ILE A CG1 1 ? 
ATOM   336  C  CG2 . ILE A 1 46  ? 3.501   -16.741 2.052   1.000 13.031 0 46  ILE A CG2 1 ? 
ATOM   337  C  CD1 . ILE A 1 46  ? 5.094   -14.731 0.501   1.000 15.512 0 46  ILE A CD1 1 ? 
ATOM   338  N  N   . GLN A 1 47  ? 1.682   -16.578 4.838   1.000 9.651  0 47  GLN A N   1 ? 
ATOM   339  C  CA  . GLN A 1 47  ? 1.348   -17.888 5.373   1.000 8.616  0 47  GLN A CA  1 ? 
ATOM   340  C  C   . GLN A 1 47  ? 1.084   -18.855 4.230   1.000 9.209  0 47  GLN A C   1 ? 
ATOM   341  O  O   . GLN A 1 47  ? 0.305   -18.516 3.322   1.000 9.837  0 47  GLN A O   1 ? 
ATOM   342  C  CB  . GLN A 1 47  ? 0.091   -17.828 6.249   1.000 9.234  0 47  GLN A CB  1 ? 
ATOM   343  C  CG  . GLN A 1 47  ? -0.231  -19.117 7.037   1.000 10.020 0 47  GLN A CG  1 ? 
ATOM   344  C  CD  . GLN A 1 47  ? -1.563  -19.000 7.749   1.000 10.244 0 47  GLN A CD  1 ? 
ATOM   345  O  OE1 . GLN A 1 47  ? -2.616  -18.710 7.159   1.000 11.231 0 47  GLN A OE1 1 ? 
ATOM   346  N  NE2 . GLN A 1 47  ? -1.506  -19.059 9.074   1.000 13.044 0 47  GLN A NE2 1 ? 
ATOM   347  N  N   . VAL A 1 48  ? 1.708   -20.038 4.302   1.000 7.923  0 48  VAL A N   1 ? 
ATOM   348  C  CA  . VAL A 1 48  ? 1.503   -21.044 3.283   1.000 8.841  0 48  VAL A CA  1 ? 
ATOM   349  C  C   . VAL A 1 48  ? 0.367   -21.969 3.733   1.000 8.820  0 48  VAL A C   1 ? 
ATOM   350  O  O   . VAL A 1 48  ? 0.329   -22.404 4.867   1.000 9.801  0 48  VAL A O   1 ? 
ATOM   351  C  CB  . VAL A 1 48  ? 2.802   -21.822 3.044   1.000 9.319  0 48  VAL A CB  1 ? 
ATOM   352  C  CG1 . VAL A 1 48  ? 2.580   -22.953 2.056   1.000 10.376 0 48  VAL A CG1 1 ? 
ATOM   353  C  CG2 . VAL A 1 48  ? 3.889   -20.888 2.535   1.000 10.226 0 48  VAL A CG2 1 ? 
ATOM   354  N  N   . ARG A 1 49  ? -0.588  -22.215 2.844   1.000 7.643  0 49  ARG A N   1 ? 
ATOM   355  C  CA  . ARG A 1 49  ? -1.754  -23.041 3.127   1.000 7.671  0 49  ARG A CA  1 ? 
ATOM   356  C  C   . ARG A 1 49  ? -1.746  -24.270 2.234   1.000 7.243  0 49  ARG A C   1 ? 
ATOM   357  O  O   . ARG A 1 49  ? -1.844  -24.151 1.006   1.000 7.738  0 49  ARG A O   1 ? 
ATOM   358  C  CB  . ARG A 1 49  ? -3.031  -22.233 2.993   1.000 8.182  0 49  ARG A CB  1 ? 
ATOM   359  C  CG  . ARG A 1 49  ? -3.058  -21.082 3.993   1.000 7.903  0 49  ARG A CG  1 ? 
ATOM   360  C  CD  . ARG A 1 49  ? -4.448  -20.447 4.115   1.000 8.416  0 49  ARG A CD  1 ? 
ATOM   361  N  NE  . ARG A 1 49  ? -4.485  -19.557 5.275   1.000 8.374  0 49  ARG A NE  1 ? 
ATOM   362  C  CZ  . ARG A 1 49  ? -5.609  -19.210 5.890   1.000 9.403  0 49  ARG A CZ  1 ? 
ATOM   363  N  NH1 . ARG A 1 49  ? -6.793  -19.483 5.350   1.000 10.123 0 49  ARG A NH1 1 ? 
ATOM   364  N  NH2 . ARG A 1 49  ? -5.512  -18.661 7.078   1.000 10.832 0 49  ARG A NH2 1 ? 
ATOM   365  N  N   . LEU A 1 50  ? -1.508  -25.402 2.858   1.000 8.425  0 50  LEU A N   1 ? 
ATOM   366  C  CA  . LEU A 1 50  ? -1.388  -26.704 2.235   1.000 8.673  0 50  LEU A CA  1 ? 
ATOM   367  C  C   . LEU A 1 50  ? -2.674  -27.480 2.468   1.000 8.969  0 50  LEU A C   1 ? 
ATOM   368  O  O   . LEU A 1 50  ? -3.410  -27.191 3.395   1.000 8.838  0 50  LEU A O   1 ? 
ATOM   369  C  CB  . LEU A 1 50  ? -0.191  -27.445 2.850   1.000 10.040 0 50  LEU A CB  1 ? 
ATOM   370  C  CG  . LEU A 1 50  ? 1.152   -26.731 2.754   1.000 13.182 0 50  LEU A CG  1 ? 
ATOM   371  C  CD1 . LEU A 1 50  ? 1.523   -26.067 4.056   1.000 18.712 0 50  LEU A CD1 1 ? 
ATOM   372  C  CD2 . LEU A 1 50  ? 2.261   -27.687 2.369   1.000 18.469 0 50  LEU A CD2 1 ? 
ATOM   373  N  N   . GLY A 1 51  ? -2.927  -28.462 1.611   1.000 8.703  0 51  GLY A N   1 ? 
ATOM   374  C  CA  . GLY A 1 51  ? -4.077  -29.325 1.758   1.000 8.014  0 51  GLY A CA  1 ? 
ATOM   375  C  C   . GLY A 1 51  ? -5.423  -28.649 1.529   1.000 8.398  0 51  GLY A C   1 ? 
ATOM   376  O  O   . GLY A 1 51  ? -6.449  -29.125 1.995   1.000 8.707  0 51  GLY A O   1 ? 
ATOM   377  N  N   . GLU A 1 52  ? -5.413  -27.535 0.791   1.000 7.537  0 52  GLU A N   1 ? 
ATOM   378  C  CA  . GLU A 1 52  ? -6.656  -26.794 0.558   1.000 7.644  0 52  GLU A CA  1 ? 
ATOM   379  C  C   . GLU A 1 52  ? -7.435  -27.363 -0.618  1.000 7.295  0 52  GLU A C   1 ? 
ATOM   380  O  O   . GLU A 1 52  ? -6.836  -27.710 -1.650  1.000 8.414  0 52  GLU A O   1 ? 
ATOM   381  C  CB  . GLU A 1 52  ? -6.312  -25.355 0.218   1.000 8.140  0 52  GLU A CB  1 ? 
ATOM   382  C  CG  . GLU A 1 52  ? -5.855  -24.542 1.402   1.000 8.448  0 52  GLU A CG  1 ? 
ATOM   383  C  CD  . GLU A 1 52  ? -6.991  -24.130 2.314   1.000 7.899  0 52  GLU A CD  1 ? 
ATOM   384  O  OE1 . GLU A 1 52  ? -8.091  -24.740 2.191   1.000 9.044  0 52  GLU A OE1 1 ? 
ATOM   385  O  OE2 . GLU A 1 52  ? -6.811  -23.129 3.092   1.000 8.754  0 52  GLU A OE2 1 ? 
ATOM   386  N  N   . ASP A 1 53  ? -8.755  -27.280 -0.499  1.000 7.480  0 53  ASP A N   1 ? 
ATOM   387  C  CA  . ASP A 1 53  ? -9.635  -27.324 -1.665  1.000 8.317  0 53  ASP A CA  1 ? 
ATOM   388  C  C   . ASP A 1 53  ? -10.446 -26.035 -1.661  1.000 8.492  0 53  ASP A C   1 ? 
ATOM   389  O  O   . ASP A 1 53  ? -10.071 -25.095 -2.330  1.000 8.902  0 53  ASP A O   1 ? 
ATOM   390  C  CB  . ASP A 1 53  ? -10.518 -28.559 -1.780  1.000 8.809  0 53  ASP A CB  1 ? 
ATOM   391  C  CG  . ASP A 1 53  ? -11.225 -28.610 -3.111  1.000 9.024  0 53  ASP A CG  1 ? 
ATOM   392  O  OD1 . ASP A 1 53  ? -10.578 -28.360 -4.155  1.000 10.412 0 53  ASP A OD1 1 ? 
ATOM   393  O  OD2 . ASP A 1 53  ? -12.456 -28.881 -3.128  1.000 11.314 0 53  ASP A OD2 1 ? 
ATOM   394  N  N   . ASN A 1 54  ? -11.514 -25.944 -0.863  1.000 8.166  0 54  ASN A N   1 ? 
ATOM   395  C  CA  . ASN A 1 54  ? -12.205 -24.675 -0.715  1.000 8.821  0 54  ASN A CA  1 ? 
ATOM   396  C  C   . ASN A 1 54  ? -11.358 -23.752 0.167   1.000 8.584  0 54  ASN A C   1 ? 
ATOM   397  O  O   . ASN A 1 54  ? -11.172 -24.039 1.356   1.000 8.799  0 54  ASN A O   1 ? 
ATOM   398  C  CB  . ASN A 1 54  ? -13.593 -24.931 -0.119  1.000 8.755  0 54  ASN A CB  1 ? 
ATOM   399  C  CG  . ASN A 1 54  ? -14.435 -23.691 -0.156  1.000 9.588  0 54  ASN A CG  1 ? 
ATOM   400  O  OD1 . ASN A 1 54  ? -13.980 -22.568 0.118   1.000 9.657  0 54  ASN A OD1 1 ? 
ATOM   401  N  ND2 . ASN A 1 54  ? -15.692 -23.867 -0.549  1.000 11.272 0 54  ASN A ND2 1 ? 
ATOM   402  N  N   . ILE A 1 55  ? -10.876 -22.617 -0.370  1.000 8.518  0 55  ILE A N   1 ? 
ATOM   403  C  CA  . ILE A 1 55  ? -9.973  -21.747 0.365   1.000 9.106  0 55  ILE A CA  1 ? 
ATOM   404  C  C   . ILE A 1 55  ? -10.725 -20.884 1.359   1.000 8.205  0 55  ILE A C   1 ? 
ATOM   405  O  O   . ILE A 1 55  ? -10.073 -20.224 2.156   1.000 8.646  0 55  ILE A O   1 ? 
ATOM   406  C  CB  . ILE A 1 55  ? -9.057  -20.875 -0.517  1.000 10.016 0 55  ILE A CB  1 ? 
ATOM   407  C  CG1 . ILE A 1 55  ? -9.861  -20.147 -1.610  1.000 11.533 0 55  ILE A CG1 1 ? 
ATOM   408  C  CG2 . ILE A 1 55  ? -7.900  -21.698 -1.043  1.000 9.904  0 55  ILE A CG2 1 ? 
ATOM   409  C  CD1 . ILE A 1 55  ? -9.029  -19.043 -2.301  1.000 12.546 0 55  ILE A CD1 1 ? 
ATOM   410  N  N   . ASN A 1 56  ? -12.062 -20.926 1.359   1.000 7.882  0 56  ASN A N   1 ? 
ATOM   411  C  CA  . ASN A 1 56  ? -12.866 -20.129 2.256   1.000 9.007  0 56  ASN A CA  1 ? 
ATOM   412  C  C   . ASN A 1 56  ? -13.504 -20.955 3.379   1.000 9.413  0 56  ASN A C   1 ? 
ATOM   413  O  O   . ASN A 1 56  ? -14.202 -20.378 4.214   1.000 10.045 0 56  ASN A O   1 ? 
ATOM   414  C  CB  . ASN A 1 56  ? -13.909 -19.315 1.487   1.000 9.322  0 56  ASN A CB  1 ? 
ATOM   415  C  CG  . ASN A 1 56  ? -13.352 -17.982 1.014   1.000 12.747 0 56  ASN A CG  1 ? 
ATOM   416  O  OD1 . ASN A 1 56  ? -12.665 -17.286 1.782   1.000 12.278 0 56  ASN A OD1 1 ? 
ATOM   417  N  ND2 . ASN A 1 56  ? -13.736 -17.565 -0.201  1.000 14.875 0 56  ASN A ND2 1 ? 
ATOM   418  N  N   . VAL A 1 57  ? -13.339 -22.304 3.381   1.000 8.583  0 57  VAL A N   1 ? 
ATOM   419  C  CA  . VAL A 1 57  ? -13.953 -23.157 4.374   1.000 9.516  0 57  VAL A CA  1 ? 
ATOM   420  C  C   . VAL A 1 57  ? -12.894 -24.110 4.888   1.000 9.394  0 57  VAL A C   1 ? 
ATOM   421  O  O   . VAL A 1 57  ? -12.173 -24.713 4.108   1.000 9.340  0 57  VAL A O   1 ? 
ATOM   422  C  CB  . VAL A 1 57  ? -15.118 -23.941 3.732   1.000 10.399 0 57  VAL A CB  1 ? 
ATOM   423  C  CG1 . VAL A 1 57  ? -15.769 -24.908 4.726   1.000 10.864 0 57  VAL A CG1 1 ? 
ATOM   424  C  CG2 . VAL A 1 57  ? -16.155 -22.991 3.109   1.000 10.211 0 57  VAL A CG2 1 ? 
ATOM   425  N  N   . VAL A 1 58  ? -12.820 -24.280 6.212   1.000 8.771  0 58  VAL A N   1 ? 
ATOM   426  C  CA  . VAL A 1 58  ? -11.963 -25.320 6.767   1.000 10.595 0 58  VAL A CA  1 ? 
ATOM   427  C  C   . VAL A 1 58  ? -12.661 -26.672 6.613   1.000 10.768 0 58  VAL A C   1 ? 
ATOM   428  O  O   . VAL A 1 58  ? -13.783 -26.902 7.152   1.000 11.612 0 58  VAL A O   1 ? 
ATOM   429  C  CB  . VAL A 1 58  ? -11.624 -25.035 8.235   1.000 11.344 0 58  VAL A CB  1 ? 
ATOM   430  C  CG1 . VAL A 1 58  ? -10.799 -26.179 8.826   1.000 13.402 0 58  VAL A CG1 1 ? 
ATOM   431  C  CG2 . VAL A 1 58  ? -10.973 -23.693 8.431   1.000 13.253 0 58  VAL A CG2 1 ? 
ATOM   432  N  N   . GLU A 1 59  ? -12.007 -27.573 5.852   1.000 9.958  0 59  GLU A N   1 ? 
ATOM   433  C  CA  . GLU A 1 59  ? -12.610 -28.833 5.446   1.000 11.397 0 59  GLU A CA  1 ? 
ATOM   434  C  C   . GLU A 1 59  ? -11.925 -30.008 6.127   1.000 12.064 0 59  GLU A C   1 ? 
ATOM   435  O  O   . GLU A 1 59  ? -12.506 -31.092 6.128   1.000 14.665 0 59  GLU A O   1 ? 
ATOM   436  C  CB  . GLU A 1 59  ? -12.618 -28.997 3.922   1.000 10.449 0 59  GLU A CB  1 ? 
ATOM   437  C  CG  . GLU A 1 59  ? -13.440 -27.951 3.205   1.000 11.823 0 59  GLU A CG  1 ? 
ATOM   438  C  CD  . GLU A 1 59  ? -13.462 -28.101 1.697   1.000 12.824 0 59  GLU A CD  1 ? 
ATOM   439  O  OE1 . GLU A 1 59  ? -12.419 -27.901 1.082   1.000 11.743 0 59  GLU A OE1 1 ? 
ATOM   440  O  OE2 . GLU A 1 59  ? -14.538 -28.342 1.104   1.000 17.944 0 59  GLU A OE2 1 ? 
ATOM   441  N  N   . GLY A 1 60  ? -10.725 -29.845 6.680   1.000 11.996 0 60  GLY A N   1 ? 
ATOM   442  C  CA  . GLY A 1 60  ? -10.179 -30.867 7.563   1.000 12.956 0 60  GLY A CA  1 ? 
ATOM   443  C  C   . GLY A 1 60  ? -8.828  -31.435 7.141   1.000 12.908 0 60  GLY A C   1 ? 
ATOM   444  O  O   . GLY A 1 60  ? -8.257  -32.188 7.914   1.000 15.566 0 60  GLY A O   1 ? 
ATOM   445  N  N   . ASN A 1 61  ? -8.299  -31.065 5.962   1.000 11.269 0 61  ASN A N   1 ? 
ATOM   446  C  CA  . ASN A 1 61  ? -6.990  -31.561 5.540   1.000 11.233 0 61  ASN A CA  1 ? 
ATOM   447  C  C   . ASN A 1 61  ? -5.946  -30.438 5.441   1.000 9.974  0 61  ASN A C   1 ? 
ATOM   448  O  O   . ASN A 1 61  ? -4.796  -30.669 5.024   1.000 10.957 0 61  ASN A O   1 ? 
ATOM   449  C  CB  . ASN A 1 61  ? -7.117  -32.288 4.203   1.000 13.283 0 61  ASN A CB  1 ? 
ATOM   450  C  CG  . ASN A 1 61  ? -7.917  -33.561 4.383   1.000 15.582 0 61  ASN A CG  1 ? 
ATOM   451  O  OD1 . ASN A 1 61  ? -7.495  -34.453 5.132   1.000 19.032 0 61  ASN A OD1 1 ? 
ATOM   452  N  ND2 . ASN A 1 61  ? -9.069  -33.632 3.760   1.000 16.710 0 61  ASN A ND2 1 ? 
ATOM   453  N  N   . GLU A 1 62  ? -6.312  -29.245 5.887   1.000 10.137 0 62  GLU A N   1 ? 
ATOM   454  C  CA  . GLU A 1 62  ? -5.380  -28.119 5.819   1.000 10.271 0 62  GLU A CA  1 ? 
ATOM   455  C  C   . GLU A 1 62  ? -4.210  -28.225 6.788   1.000 10.726 0 62  GLU A C   1 ? 
ATOM   456  O  O   . GLU A 1 62  ? -4.305  -28.706 7.933   1.000 11.332 0 62  GLU A O   1 ? 
ATOM   457  C  CB  . GLU A 1 62  ? -6.084  -26.783 6.096   1.000 10.305 0 62  GLU A CB  1 ? 
ATOM   458  C  CG  . GLU A 1 62  ? -7.208  -26.475 5.118   1.000 9.448  0 62  GLU A CG  1 ? 
ATOM   459  C  CD  . GLU A 1 62  ? -8.612  -26.942 5.518   1.000 9.773  0 62  GLU A CD  1 ? 
ATOM   460  O  OE1 . GLU A 1 62  ? -8.730  -27.781 6.467   1.000 10.358 0 62  GLU A OE1 1 ? 
ATOM   461  O  OE2 . GLU A 1 62  ? -9.587  -26.492 4.882   1.000 9.508  0 62  GLU A OE2 1 ? 
ATOM   462  N  N   . GLN A 1 63  ? -3.100  -27.614 6.362   1.000 10.635 0 63  GLN A N   1 ? 
ATOM   463  C  CA  . GLN A 1 63  ? -1.992  -27.241 7.228   1.000 10.226 0 63  GLN A CA  1 ? 
ATOM   464  C  C   . GLN A 1 63  ? -1.635  -25.804 6.900   1.000 11.090 0 63  GLN A C   1 ? 
ATOM   465  O  O   . GLN A 1 63  ? -1.333  -25.509 5.736   1.000 11.129 0 63  GLN A O   1 ? 
ATOM   466  C  CB  . GLN A 1 63  ? -0.764  -28.128 7.014   1.000 10.598 0 63  GLN A CB  1 ? 
ATOM   467  C  CG  . GLN A 1 63  ? -1.053  -29.582 7.332   1.000 11.579 0 63  GLN A CG  1 ? 
ATOM   468  C  CD  . GLN A 1 63  ? 0.099   -30.519 7.061   1.000 11.685 0 63  GLN A CD  1 ? 
ATOM   469  O  OE1 . GLN A 1 63  ? 1.245   -30.205 7.453   1.000 13.556 0 63  GLN A OE1 1 ? 
ATOM   470  N  NE2 . GLN A 1 63  ? -0.199  -31.619 6.388   1.000 12.655 0 63  GLN A NE2 1 ? 
ATOM   471  N  N   . PHE A 1 64  ? -1.681  -24.922 7.896   1.000 9.888  0 64  PHE A N   1 ? 
ATOM   472  C  CA  . PHE A 1 64  ? -1.304  -23.533 7.719   1.000 10.810 0 64  PHE A CA  1 ? 
ATOM   473  C  C   . PHE A 1 64  ? 0.038   -23.320 8.425   1.000 10.957 0 64  PHE A C   1 ? 
ATOM   474  O  O   . PHE A 1 64  ? 0.109   -23.502 9.654   1.000 12.925 0 64  PHE A O   1 ? 
ATOM   475  C  CB  . PHE A 1 64  ? -2.339  -22.639 8.358   1.000 10.519 0 64  PHE A CB  1 ? 
ATOM   476  C  CG  . PHE A 1 64  ? -3.747  -22.681 7.816   1.000 10.646 0 64  PHE A CG  1 ? 
ATOM   477  C  CD1 . PHE A 1 64  ? -4.074  -23.322 6.627   1.000 10.775 0 64  PHE A CD1 1 ? 
ATOM   478  C  CD2 . PHE A 1 64  ? -4.762  -22.042 8.519   1.000 12.358 0 64  PHE A CD2 1 ? 
ATOM   479  C  CE1 . PHE A 1 64  ? -5.385  -23.326 6.168   1.000 10.814 0 64  PHE A CE1 1 ? 
ATOM   480  C  CE2 . PHE A 1 64  ? -6.060  -22.023 8.040   1.000 12.669 0 64  PHE A CE2 1 ? 
ATOM   481  C  CZ  . PHE A 1 64  ? -6.367  -22.675 6.861   1.000 11.414 0 64  PHE A CZ  1 ? 
ATOM   482  N  N   . ILE A 1 65  ? 1.061   -22.878 7.692   1.000 10.021 0 65  ILE A N   1 ? 
ATOM   483  C  CA  . ILE A 1 65  ? 2.418   -22.756 8.195   1.000 9.693  0 65  ILE A CA  1 ? 
ATOM   484  C  C   . ILE A 1 65  ? 2.971   -21.412 7.722   1.000 9.334  0 65  ILE A C   1 ? 
ATOM   485  O  O   . ILE A 1 65  ? 3.023   -21.167 6.523   1.000 9.858  0 65  ILE A O   1 ? 
ATOM   486  C  CB  . ILE A 1 65  ? 3.290   -23.934 7.754   1.000 10.610 0 65  ILE A CB  1 ? 
ATOM   487  C  CG1 . ILE A 1 65  ? 2.674   -25.285 8.126   1.000 11.402 0 65  ILE A CG1 1 ? 
ATOM   488  C  CG2 . ILE A 1 65  ? 4.683   -23.772 8.324   1.000 9.898  0 65  ILE A CG2 1 ? 
ATOM   489  C  CD1 . ILE A 1 65  ? 3.453   -26.475 7.594   1.000 12.498 0 65  ILE A CD1 1 ? 
ATOM   490  N  N   . SER A 1 66  ? 3.406   -20.549 8.642   1.000 11.447 0 66  SER A N   1 ? 
ATOM   491  C  CA  . SER A 1 66  ? 4.065   -19.282 8.283   1.000 11.936 0 66  SER A CA  1 ? 
ATOM   492  C  C   . SER A 1 66  ? 5.403   -19.507 7.562   1.000 11.197 0 66  SER A C   1 ? 
ATOM   493  O  O   . SER A 1 66  ? 6.133   -20.442 7.880   1.000 12.378 0 66  SER A O   1 ? 
ATOM   494  C  CB  . SER A 1 66  ? 4.292   -18.484 9.538   1.000 14.401 0 66  SER A CB  1 ? 
ATOM   495  O  OG  . SER A 1 66  ? 3.058   -18.120 10.119  1.000 20.120 0 66  SER A OG  1 ? 
ATOM   496  N  N   . ALA A 1 67  ? 5.721   -18.637 6.604   1.000 10.949 0 67  ALA A N   1 ? 
ATOM   497  C  CA  . ALA A 1 67  ? 7.023   -18.636 5.986   1.000 10.854 0 67  ALA A CA  1 ? 
ATOM   498  C  C   . ALA A 1 67  ? 8.020   -18.010 6.955   1.000 11.590 0 67  ALA A C   1 ? 
ATOM   499  O  O   . ALA A 1 67  ? 7.722   -17.008 7.603   1.000 13.300 0 67  ALA A O   1 ? 
ATOM   500  C  CB  . ALA A 1 67  ? 6.958   -17.911 4.676   1.000 11.197 0 67  ALA A CB  1 ? 
ATOM   501  N  N   . SER A 1 68  ? 9.235   -18.575 6.982   1.000 11.543 0 68  SER A N   1 ? 
ATOM   502  C  CA  . SER A 1 68  ? 10.317  -17.966 7.745   1.000 12.138 0 68  SER A CA  1 ? 
ATOM   503  C  C   . SER A 1 68  ? 11.206  -17.078 6.873   1.000 11.770 0 68  SER A C   1 ? 
ATOM   504  O  O   . SER A 1 68  ? 11.866  -16.173 7.367   1.000 12.038 0 68  SER A O   1 ? 
ATOM   505  C  CB  . SER A 1 68  ? 11.161  -19.002 8.429   1.000 13.315 0 68  SER A CB  1 ? 
ATOM   506  O  OG  . SER A 1 68  ? 11.667  -19.914 7.507   1.000 14.548 0 68  SER A OG  1 ? 
ATOM   507  N  N   . LYS A 1 69  ? 11.270  -17.369 5.586   1.000 11.069 0 69  LYS A N   1 ? 
ATOM   508  C  CA  . LYS A 1 69  ? 12.180  -16.676 4.683   1.000 12.671 0 69  LYS A CA  1 ? 
ATOM   509  C  C   . LYS A 1 69  ? 11.655  -16.810 3.250   1.000 12.585 0 69  LYS A C   1 ? 
ATOM   510  O  O   . LYS A 1 69  ? 11.112  -17.838 2.903   1.000 12.239 0 69  LYS A O   1 ? 
ATOM   511  C  CB  . LYS A 1 69  ? 13.572  -17.313 4.824   1.000 18.256 0 69  LYS A CB  1 ? 
ATOM   512  C  CG  . LYS A 1 69  ? 14.676  -16.864 3.882   1.000 26.806 0 69  LYS A CG  1 ? 
ATOM   513  C  CD  . LYS A 1 69  ? 15.961  -17.694 4.019   1.000 26.439 0 69  LYS A CD  1 ? 
ATOM   514  C  CE  . LYS A 1 69  ? 16.864  -17.247 5.147   1.000 29.747 0 69  LYS A CE  1 ? 
ATOM   515  N  NZ  . LYS A 1 69  ? 18.200  -17.907 5.068   1.000 29.728 0 69  LYS A NZ  1 ? 
ATOM   516  N  N   . SER A 1 70  ? 11.836  -15.779 2.440   1.000 9.979  0 70  SER A N   1 ? 
ATOM   517  C  CA  . SER A 1 70  ? 11.561  -15.828 1.020   1.000 10.987 0 70  SER A CA  1 ? 
ATOM   518  C  C   . SER A 1 70  ? 12.855  -15.446 0.309   1.000 11.359 0 70  SER A C   1 ? 
ATOM   519  O  O   . SER A 1 70  ? 13.589  -14.586 0.814   1.000 11.828 0 70  SER A O   1 ? 
ATOM   520  C  CB  . SER A 1 70  ? 10.412  -14.932 0.658   1.000 14.663 0 70  SER A CB  1 ? 
ATOM   521  O  OG  . SER A 1 70  ? 9.195   -15.508 1.127   1.000 19.369 0 70  SER A OG  1 ? 
ATOM   522  N  N   . ILE A 1 71  ? 13.124  -16.087 -0.836  1.000 9.270  0 71  ILE A N   1 ? 
ATOM   523  C  CA  . ILE A 1 71  ? 14.324  -15.852 -1.639  1.000 8.772  0 71  ILE A CA  1 ? 
ATOM   524  C  C   . ILE A 1 71  ? 13.889  -15.676 -3.081  1.000 7.948  0 71  ILE A C   1 ? 
ATOM   525  O  O   . ILE A 1 71  ? 13.545  -16.626 -3.741  1.000 8.512  0 71  ILE A O   1 ? 
ATOM   526  C  CB  . ILE A 1 71  ? 15.347  -16.985 -1.512  1.000 9.152  0 71  ILE A CB  1 ? 
ATOM   527  C  CG1 . ILE A 1 71  ? 15.658  -17.263 -0.036  1.000 10.576 0 71  ILE A CG1 1 ? 
ATOM   528  C  CG2 . ILE A 1 71  ? 16.614  -16.709 -2.360  1.000 9.252  0 71  ILE A CG2 1 ? 
ATOM   529  C  CD1 . ILE A 1 71  ? 16.515  -18.469 0.147   1.000 11.979 0 71  ILE A CD1 1 ? 
ATOM   530  N  N   . VAL A 1 72  ? 13.893  -14.432 -3.546  1.000 7.947  0 72  VAL A N   1 ? 
ATOM   531  C  CA  . VAL A 1 72  ? 13.657  -14.113 -4.940  1.000 7.494  0 72  VAL A CA  1 ? 
ATOM   532  C  C   . VAL A 1 72  ? 14.911  -14.458 -5.737  1.000 7.867  0 72  VAL A C   1 ? 
ATOM   533  O  O   . VAL A 1 72  ? 16.052  -14.276 -5.296  1.000 9.577  0 72  VAL A O   1 ? 
ATOM   534  C  CB  . VAL A 1 72  ? 13.284  -12.616 -5.035  1.000 8.706  0 72  VAL A CB  1 ? 
ATOM   535  C  CG1 . VAL A 1 72  ? 13.322  -12.127 -6.477  1.000 9.144  0 72  VAL A CG1 1 ? 
ATOM   536  C  CG2 . VAL A 1 72  ? 11.937  -12.352 -4.391  1.000 8.795  0 72  VAL A CG2 1 ? 
ATOM   537  N  N   . HIS A 1 73  ? 14.722  -14.968 -6.955  1.000 6.850  0 73  HIS A N   1 ? 
ATOM   538  C  CA  . HIS A 1 73  ? 15.845  -15.282 -7.801  1.000 7.773  0 73  HIS A CA  1 ? 
ATOM   539  C  C   . HIS A 1 73  ? 16.777  -14.073 -7.936  1.000 8.094  0 73  HIS A C   1 ? 
ATOM   540  O  O   . HIS A 1 73  ? 16.340  -12.908 -8.065  1.000 7.855  0 73  HIS A O   1 ? 
ATOM   541  C  CB  . HIS A 1 73  ? 15.385  -15.714 -9.188  1.000 7.710  0 73  HIS A CB  1 ? 
ATOM   542  C  CG  . HIS A 1 73  ? 16.544  -16.317 -9.931  1.000 8.874  0 73  HIS A CG  1 ? 
ATOM   543  N  ND1 . HIS A 1 73  ? 17.415  -15.596 -10.723 1.000 9.762  0 73  HIS A ND1 1 ? 
ATOM   544  C  CD2 . HIS A 1 73  ? 16.905  -17.644 -10.068 1.000 8.655  0 73  HIS A CD2 1 ? 
ATOM   545  C  CE1 . HIS A 1 73  ? 18.324  -16.428 -11.212 1.000 9.182  0 73  HIS A CE1 1 ? 
ATOM   546  N  NE2 . HIS A 1 73  ? 18.028  -17.687 -10.847 1.000 9.599  0 73  HIS A NE2 1 ? 
ATOM   547  N  N   . PRO A 1 74  ? 18.106  -14.294 -7.871  1.000 8.140  0 74  PRO A N   1 ? 
ATOM   548  C  CA  . PRO A 1 74  ? 19.060  -13.175 -7.893  1.000 8.571  0 74  PRO A CA  1 ? 
ATOM   549  C  C   . PRO A 1 74  ? 19.076  -12.360 -9.174  1.000 8.830  0 74  PRO A C   1 ? 
ATOM   550  O  O   . PRO A 1 74  ? 19.548  -11.217 -9.076  1.000 10.554 0 74  PRO A O   1 ? 
ATOM   551  C  CB  . PRO A 1 74  ? 20.438  -13.813 -7.693  1.000 9.529  0 74  PRO A CB  1 ? 
ATOM   552  C  CG  . PRO A 1 74  ? 20.208  -15.223 -8.086  1.000 9.227  0 74  PRO A CG  1 ? 
ATOM   553  C  CD  . PRO A 1 74  ? 18.795  -15.558 -7.634  1.000 8.395  0 74  PRO A CD  1 ? 
ATOM   554  N  N   . SER A 1 75  ? 18.474  -12.844 -10.249 1.000 7.866  0 75  SER A N   1 ? 
ATOM   555  C  CA  . SER A 1 75  ? 18.430  -12.150 -11.530 1.000 8.580  0 75  SER A CA  1 ? 
ATOM   556  C  C   . SER A 1 75  ? 17.006  -11.772 -11.938 1.000 8.422  0 75  SER A C   1 ? 
ATOM   557  O  O   . SER A 1 75  ? 16.748  -11.408 -13.105 1.000 8.168  0 75  SER A O   1 ? 
ATOM   558  C  CB  . SER A 1 75  ? 19.114  -12.934 -12.648 1.000 10.268 0 75  SER A CB  1 ? 
ATOM   559  O  OG  . SER A 1 75  ? 20.489  -13.085 -12.308 1.000 12.390 0 75  SER A OG  1 ? 
ATOM   560  N  N   . TYR A 1 76  ? 16.082  -11.833 -10.994 1.000 7.177  0 76  TYR A N   1 ? 
ATOM   561  C  CA  . TYR A 1 76  ? 14.693  -11.500 -11.328 1.000 7.526  0 76  TYR A CA  1 ? 
ATOM   562  C  C   . TYR A 1 76  ? 14.619  -10.052 -11.826 1.000 7.805  0 76  TYR A C   1 ? 
ATOM   563  O  O   . TYR A 1 76  ? 15.058  -9.129  -11.117 1.000 8.070  0 76  TYR A O   1 ? 
ATOM   564  C  CB  . TYR A 1 76  ? 13.788  -11.700 -10.116 1.000 7.113  0 76  TYR A CB  1 ? 
ATOM   565  C  CG  . TYR A 1 76  ? 12.398  -11.127 -10.280 1.000 7.572  0 76  TYR A CG  1 ? 
ATOM   566  C  CD1 . TYR A 1 76  ? 11.587  -11.570 -11.289 1.000 7.867  0 76  TYR A CD1 1 ? 
ATOM   567  C  CD2 . TYR A 1 76  ? 11.892  -10.162 -9.425  1.000 7.725  0 76  TYR A CD2 1 ? 
ATOM   568  C  CE1 . TYR A 1 76  ? 10.293  -11.128 -11.442 1.000 7.189  0 76  TYR A CE1 1 ? 
ATOM   569  C  CE2 . TYR A 1 76  ? 10.581  -9.731  -9.556  1.000 7.398  0 76  TYR A CE2 1 ? 
ATOM   570  C  CZ  . TYR A 1 76  ? 9.790   -10.163 -10.609 1.000 8.028  0 76  TYR A CZ  1 ? 
ATOM   571  O  OH  . TYR A 1 76  ? 8.510   -9.705  -10.779 1.000 8.711  0 76  TYR A OH  1 ? 
ATOM   572  N  N   . ASN A 1 77  ? 13.909  -9.855  -12.967 1.000 7.729  0 77  ASN A N   1 ? 
ATOM   573  C  CA  . ASN A 1 77  ? 13.639  -8.512  -13.478 1.000 8.018  0 77  ASN A CA  1 ? 
ATOM   574  C  C   . ASN A 1 77  ? 12.138  -8.302  -13.509 1.000 7.966  0 77  ASN A C   1 ? 
ATOM   575  O  O   . ASN A 1 77  ? 11.445  -9.019  -14.233 1.000 8.675  0 77  ASN A O   1 ? 
ATOM   576  C  CB  . ASN A 1 77  ? 14.268  -8.384  -14.863 1.000 9.124  0 77  ASN A CB  1 ? 
ATOM   577  C  CG  . ASN A 1 77  ? 14.084  -7.018  -15.473 1.000 11.557 0 77  ASN A CG  1 ? 
ATOM   578  O  OD1 . ASN A 1 77  ? 13.018  -6.430  -15.386 1.000 11.084 0 77  ASN A OD1 1 ? 
ATOM   579  N  ND2 . ASN A 1 77  ? 15.145  -6.500  -16.069 1.000 16.306 0 77  ASN A ND2 1 ? 
ATOM   580  N  N   . SER A 1 78  ? 11.672  -7.406  -12.644 1.000 7.981  0 78  SER A N   1 ? 
ATOM   581  C  CA  . SER A 1 78  ? 10.238  -7.224  -12.546 1.000 8.414  0 78  SER A CA  1 ? 
ATOM   582  C  C   . SER A 1 78  ? 9.633   -6.507  -13.737 1.000 9.339  0 78  SER A C   1 ? 
ATOM   583  O  O   . SER A 1 78  ? 8.400   -6.601  -13.910 1.000 10.357 0 78  SER A O   1 ? 
ATOM   584  C  CB  . SER A 1 78  ? 9.919   -6.495  -11.281 1.000 9.295  0 78  SER A CB  1 ? 
ATOM   585  O  OG  . SER A 1 78  ? 10.518  -5.201  -11.244 1.000 10.967 0 78  SER A OG  1 ? 
ATOM   586  N  N   . ASN A 1 79  ? 10.440  -5.841  -14.569 1.000 8.504  0 79  ASN A N   1 ? 
ATOM   587  C  CA  . ASN A 1 79  ? 9.917   -5.210  -15.788 1.000 8.969  0 79  ASN A CA  1 ? 
ATOM   588  C  C   . ASN A 1 79  ? 9.631   -6.246  -16.879 1.000 9.830  0 79  ASN A C   1 ? 
ATOM   589  O  O   . ASN A 1 79  ? 8.586   -6.227  -17.498 1.000 10.890 0 79  ASN A O   1 ? 
ATOM   590  C  CB  . ASN A 1 79  ? 10.859  -4.110  -16.274 1.000 9.636  0 79  ASN A CB  1 ? 
ATOM   591  C  CG  . ASN A 1 79  ? 10.955  -2.960  -15.290 1.000 9.646  0 79  ASN A CG  1 ? 
ATOM   592  O  OD1 . ASN A 1 79  ? 9.932   -2.596  -14.673 1.000 10.294 0 79  ASN A OD1 1 ? 
ATOM   593  N  ND2 . ASN A 1 79  ? 12.150  -2.418  -15.195 1.000 11.503 0 79  ASN A ND2 1 ? 
ATOM   594  N  N   . THR A 1 80  ? 10.538  -7.210  -17.081 1.000 8.559  0 80  THR A N   1 ? 
ATOM   595  C  CA  . THR A 1 80  ? 10.441  -8.162  -18.171 1.000 8.942  0 80  THR A CA  1 ? 
ATOM   596  C  C   . THR A 1 80  ? 9.900   -9.515  -17.697 1.000 8.796  0 80  THR A C   1 ? 
ATOM   597  O  O   . THR A 1 80  ? 9.511   -10.337 -18.537 1.000 9.581  0 80  THR A O   1 ? 
ATOM   598  C  CB  . THR A 1 80  ? 11.810  -8.378  -18.816 1.000 9.591  0 80  THR A CB  1 ? 
ATOM   599  O  OG1 . THR A 1 80  ? 12.651  -8.985  -17.834 1.000 10.202 0 80  THR A OG1 1 ? 
ATOM   600  C  CG2 . THR A 1 80  ? 12.437  -7.089  -19.301 1.000 10.153 0 80  THR A CG2 1 ? 
ATOM   601  N  N   . LEU A 1 81  ? 9.860   -9.718  -16.363 1.000 8.451  0 81  LEU A N   1 ? 
ATOM   602  C  CA  . LEU A 1 81  ? 9.497   -10.953 -15.691 1.000 8.392  0 81  LEU A CA  1 ? 
ATOM   603  C  C   . LEU A 1 81  ? 10.467  -12.072 -16.057 1.000 8.063  0 81  LEU A C   1 ? 
ATOM   604  O  O   . LEU A 1 81  ? 10.194  -13.238 -15.769 1.000 7.074  0 81  LEU A O   1 ? 
ATOM   605  C  CB  . LEU A 1 81  ? 8.053   -11.342 -15.933 1.000 8.796  0 81  LEU A CB  1 ? 
ATOM   606  C  CG  . LEU A 1 81  ? 7.014   -10.380 -15.364 1.000 12.196 0 81  LEU A CG  1 ? 
ATOM   607  C  CD1 . LEU A 1 81  ? 5.598   -10.899 -15.563 1.000 13.140 0 81  LEU A CD1 1 ? 
ATOM   608  C  CD2 . LEU A 1 81  ? 7.235   -10.110 -13.905 1.000 13.462 0 81  LEU A CD2 1 ? 
ATOM   609  N  N   . ASN A 1 82  ? 11.691  -11.718 -16.488 1.000 7.594  0 82  ASN A N   1 ? 
ATOM   610  C  CA  . ASN A 1 82  ? 12.716  -12.742 -16.658 1.000 7.731  0 82  ASN A CA  1 ? 
ATOM   611  C  C   . ASN A 1 82  ? 13.135  -13.255 -15.270 1.000 6.996  0 82  ASN A C   1 ? 
ATOM   612  O  O   . ASN A 1 82  ? 13.327  -12.484 -14.353 1.000 7.882  0 82  ASN A O   1 ? 
ATOM   613  C  CB  . ASN A 1 82  ? 13.909  -12.169 -17.408 1.000 8.317  0 82  ASN A CB  1 ? 
ATOM   614  C  CG  . ASN A 1 82  ? 14.829  -13.231 -17.957 1.000 7.911  0 82  ASN A CG  1 ? 
ATOM   615  O  OD1 . ASN A 1 82  ? 14.414  -14.338 -18.298 1.000 8.496  0 82  ASN A OD1 1 ? 
ATOM   616  N  ND2 . ASN A 1 82  ? 16.087  -12.845 -18.124 1.000 9.979  0 82  ASN A ND2 1 ? 
ATOM   617  N  N   . ASN A 1 83  ? 13.251  -14.583 -15.147 1.000 6.093  0 83  ASN A N   1 ? 
ATOM   618  C  CA  . ASN A 1 83  ? 13.613  -15.232 -13.889 1.000 6.933  0 83  ASN A CA  1 ? 
ATOM   619  C  C   . ASN A 1 83  ? 12.533  -15.042 -12.826 1.000 7.014  0 83  ASN A C   1 ? 
ATOM   620  O  O   . ASN A 1 83  ? 12.814  -14.768 -11.664 1.000 6.954  0 83  ASN A O   1 ? 
ATOM   621  C  CB  . ASN A 1 83  ? 15.014  -14.851 -13.384 1.000 7.629  0 83  ASN A CB  1 ? 
ATOM   622  C  CG  . ASN A 1 83  ? 16.124  -14.968 -14.403 1.000 7.713  0 83  ASN A CG  1 ? 
ATOM   623  O  OD1 . ASN A 1 83  ? 16.441  -16.076 -14.823 1.000 9.082  0 83  ASN A OD1 1 ? 
ATOM   624  N  ND2 . ASN A 1 83  ? 16.627  -13.816 -14.838 1.000 7.805  0 83  ASN A ND2 1 ? 
ATOM   625  N  N   . ASP A 1 84  ? 11.261  -15.297 -13.185 1.000 6.898  0 84  ASP A N   1 ? 
ATOM   626  C  CA  . ASP A 1 84  ? 10.096  -15.131 -12.319 1.000 6.437  0 84  ASP A CA  1 ? 
ATOM   627  C  C   . ASP A 1 84  ? 9.911   -16.370 -11.465 1.000 5.832  0 84  ASP A C   1 ? 
ATOM   628  O  O   . ASP A 1 84  ? 9.031   -17.202 -11.690 1.000 6.410  0 84  ASP A O   1 ? 
ATOM   629  C  CB  . ASP A 1 84  ? 8.857   -14.742 -13.126 1.000 6.235  0 84  ASP A CB  1 ? 
ATOM   630  C  CG  . ASP A 1 84  ? 7.705   -14.275 -12.272 1.000 6.585  0 84  ASP A CG  1 ? 
ATOM   631  O  OD1 . ASP A 1 84  ? 7.944   -13.999 -11.087 1.000 6.314  0 84  ASP A OD1 1 ? 
ATOM   632  O  OD2 . ASP A 1 84  ? 6.564   -14.225 -12.797 1.000 7.541  0 84  ASP A OD2 1 ? 
ATOM   633  N  N   . ILE A 1 85  ? 10.796  -16.455 -10.470 1.000 6.811  0 85  ILE A N   1 ? 
ATOM   634  C  CA  . ILE A 1 85  ? 10.858  -17.609 -9.583  1.000 6.763  0 85  ILE A CA  1 ? 
ATOM   635  C  C   . ILE A 1 85  ? 11.336  -17.163 -8.199  1.000 6.307  0 85  ILE A C   1 ? 
ATOM   636  O  O   . ILE A 1 85  ? 12.221  -16.293 -8.085  1.000 6.928  0 85  ILE A O   1 ? 
ATOM   637  C  CB  . ILE A 1 85  ? 11.676  -18.761 -10.204 1.000 7.681  0 85  ILE A CB  1 ? 
ATOM   638  C  CG1 . ILE A 1 85  ? 11.538  -20.002 -9.344  1.000 8.185  0 85  ILE A CG1 1 ? 
ATOM   639  C  CG2 . ILE A 1 85  ? 13.124  -18.393 -10.406 1.000 8.566  0 85  ILE A CG2 1 ? 
ATOM   640  C  CD1 . ILE A 1 85  ? 12.104  -21.226 -9.990  1.000 9.399  0 85  ILE A CD1 1 ? 
ATOM   641  N  N   . MET A 1 86  ? 10.736  -17.735 -7.160  1.000 6.597  0 86  MET A N   1 ? 
ATOM   642  C  CA  . MET A 1 86  ? 11.095  -17.484 -5.779  1.000 8.114  0 86  MET A CA  1 ? 
ATOM   643  C  C   . MET A 1 86  ? 10.905  -18.756 -4.964  1.000 8.118  0 86  MET A C   1 ? 
ATOM   644  O  O   . MET A 1 86  ? 10.084  -19.605 -5.270  1.000 8.540  0 86  MET A O   1 ? 
ATOM   645  C  CB  . MET A 1 86  ? 10.343  -16.311 -5.119  1.000 10.548 0 86  MET A CB  1 ? 
ATOM   646  C  CG  . MET A 1 86  ? 8.985   -16.505 -4.780  1.000 13.342 0 86  MET A CG  1 ? 
ATOM   647  S  SD  . MET A 1 86  ? 8.542   -15.006 -3.726  1.000 17.006 0 86  MET A SD  1 ? 
ATOM   648  C  CE  . MET A 1 86  ? 9.210   -15.314 -2.128  1.000 26.035 0 86  MET A CE  1 ? 
ATOM   649  N  N   . LEU A 1 87  ? 11.734  -18.909 -3.906  1.000 6.930  0 87  LEU A N   1 ? 
ATOM   650  C  CA  . LEU A 1 87  ? 11.624  -19.993 -2.946  1.000 7.261  0 87  LEU A CA  1 ? 
ATOM   651  C  C   . LEU A 1 87  ? 11.177  -19.473 -1.603  1.000 7.486  0 87  LEU A C   1 ? 
ATOM   652  O  O   . LEU A 1 87  ? 11.511  -18.369 -1.218  1.000 8.374  0 87  LEU A O   1 ? 
ATOM   653  C  CB  . LEU A 1 87  ? 13.010  -20.621 -2.739  1.000 7.706  0 87  LEU A CB  1 ? 
ATOM   654  C  CG  . LEU A 1 87  ? 13.460  -21.470 -3.909  1.000 9.119  0 87  LEU A CG  1 ? 
ATOM   655  C  CD1 . LEU A 1 87  ? 14.924  -21.821 -3.785  1.000 9.591  0 87  LEU A CD1 1 ? 
ATOM   656  C  CD2 . LEU A 1 87  ? 12.637  -22.746 -4.050  1.000 11.376 0 87  LEU A CD2 1 ? 
ATOM   657  N  N   . ILE A 1 88  ? 10.274  -20.231 -0.970  1.000 7.164  0 88  ILE A N   1 ? 
ATOM   658  C  CA  . ILE A 1 88  ? 9.763   -19.839 0.333   1.000 7.228  0 88  ILE A CA  1 ? 
ATOM   659  C  C   . ILE A 1 88  ? 10.038  -21.022 1.283   1.000 8.132  0 88  ILE A C   1 ? 
ATOM   660  O  O   . ILE A 1 88  ? 9.666   -22.157 0.987   1.000 8.509  0 88  ILE A O   1 ? 
ATOM   661  C  CB  . ILE A 1 88  ? 8.257   -19.558 0.255   1.000 8.110  0 88  ILE A CB  1 ? 
ATOM   662  C  CG1 . ILE A 1 88  ? 7.946   -18.438 -0.735  1.000 8.670  0 88  ILE A CG1 1 ? 
ATOM   663  C  CG2 . ILE A 1 88  ? 7.700   -19.280 1.664   1.000 10.249 0 88  ILE A CG2 1 ? 
ATOM   664  C  CD1 . ILE A 1 88  ? 6.471   -18.448 -1.055  1.000 10.178 0 88  ILE A CD1 1 ? 
ATOM   665  N  N   . LYS A 1 89  ? 10.639  -20.694 2.438   1.000 8.112  0 89  LYS A N   1 ? 
ATOM   666  C  CA  . LYS A 1 89  ? 10.875  -21.722 3.453   1.000 8.938  0 89  LYS A CA  1 ? 
ATOM   667  C  C   . LYS A 1 89  ? 9.804   -21.599 4.523   1.000 8.921  0 89  LYS A C   1 ? 
ATOM   668  O  O   . LYS A 1 89  ? 9.486   -20.499 4.986   1.000 10.249 0 89  LYS A O   1 ? 
ATOM   669  C  CB  . LYS A 1 89  ? 12.293  -21.587 4.020   1.000 9.913  0 89  LYS A CB  1 ? 
ATOM   670  C  CG  . LYS A 1 89  ? 12.656  -22.745 4.951   1.000 11.090 0 89  LYS A CG  1 ? 
ATOM   671  C  CD  . LYS A 1 89  ? 13.976  -22.588 5.602   1.000 12.730 0 89  LYS A CD  1 ? 
ATOM   672  C  CE  . LYS A 1 89  ? 14.378  -23.870 6.298   1.000 14.871 0 89  LYS A CE  1 ? 
ATOM   673  N  NZ  . LYS A 1 89  ? 15.686  -23.666 6.960   1.000 15.767 0 89  LYS A NZ  1 ? 
ATOM   674  N  N   . LEU A 1 90  ? 9.290   -22.749 4.929   1.000 9.755  0 90  LEU A N   1 ? 
ATOM   675  C  CA  . LEU A 1 90  ? 8.313   -22.867 6.009   1.000 10.903 0 90  LEU A CA  1 ? 
ATOM   676  C  C   . LEU A 1 90  ? 8.984   -22.889 7.390   1.000 11.384 0 90  LEU A C   1 ? 
ATOM   677  O  O   . LEU A 1 90  ? 10.085  -23.425 7.519   1.000 11.362 0 90  LEU A O   1 ? 
ATOM   678  C  CB  . LEU A 1 90  ? 7.524   -24.158 5.802   1.000 12.105 0 90  LEU A CB  1 ? 
ATOM   679  C  CG  . LEU A 1 90  ? 6.840   -24.314 4.459   1.000 14.192 0 90  LEU A CG  1 ? 
ATOM   680  C  CD1 . LEU A 1 90  ? 6.016   -25.579 4.465   1.000 14.666 0 90  LEU A CD1 1 ? 
ATOM   681  C  CD2 . LEU A 1 90  ? 5.993   -23.113 4.093   1.000 17.159 0 90  LEU A CD2 1 ? 
ATOM   682  N  N   . LYS A 1 91  ? 8.340   -22.240 8.366   1.000 12.137 0 91  LYS A N   1 ? 
ATOM   683  C  CA  . LYS A 1 91  ? 8.866   -22.154 9.738   1.000 13.289 0 91  LYS A CA  1 ? 
ATOM   684  C  C   . LYS A 1 91  ? 8.989   -23.544 10.377  1.000 16.078 0 91  LYS A C   1 ? 
ATOM   685  O  O   . LYS A 1 91  ? 9.878   -23.782 11.217  1.000 16.242 0 91  LYS A O   1 ? 
ATOM   686  C  CB  . LYS A 1 91  ? 7.938   -21.274 10.583  1.000 16.352 0 91  LYS A CB  1 ? 
ATOM   687  C  CG  . LYS A 1 91  ? 8.193   -19.779 10.524  1.000 20.086 0 91  LYS A CG  1 ? 
ATOM   688  C  CD  . LYS A 1 91  ? 7.342   -19.013 11.562  1.000 26.510 0 91  LYS A CD  1 ? 
ATOM   689  C  CE  . LYS A 1 91  ? 7.866   -17.657 12.016  1.000 33.690 0 91  LYS A CE  1 ? 
ATOM   690  N  NZ  . LYS A 1 91  ? 8.150   -16.766 10.876  1.000 37.636 0 91  LYS A NZ  1 ? 
ATOM   691  N  N   . SER A 1 92  ? 8.100   -24.452 10.003  1.000 14.093 0 92  SER A N   1 ? 
ATOM   692  C  CA  . SER A 1 92  ? 8.136   -25.842 10.440  1.000 15.465 0 92  SER A CA  1 ? 
ATOM   693  C  C   . SER A 1 92  ? 7.828   -26.720 9.237   1.000 15.338 0 92  SER A C   1 ? 
ATOM   694  O  O   . SER A 1 92  ? 7.195   -26.277 8.279   1.000 13.481 0 92  SER A O   1 ? 
ATOM   695  C  CB  . SER A 1 92  ? 7.219   -26.113 11.584  1.000 17.090 0 92  SER A CB  1 ? 
ATOM   696  O  OG  . SER A 1 92  ? 5.869   -25.835 11.248  1.000 20.788 0 92  SER A OG  1 ? 
ATOM   697  N  N   . ALA A 1 93  ? 8.287   -27.978 9.257   1.000 15.430 0 93  ALA A N   1 ? 
ATOM   698  C  CA  . ALA A 1 93  ? 8.062   -28.885 8.157   1.000 13.729 0 93  ALA A CA  1 ? 
ATOM   699  C  C   . ALA A 1 93  ? 6.594   -29.301 8.112   1.000 13.223 0 93  ALA A C   1 ? 
ATOM   700  O  O   . ALA A 1 93  ? 5.977   -29.555 9.163   1.000 14.838 0 93  ALA A O   1 ? 
ATOM   701  C  CB  . ALA A 1 93  ? 8.935   -30.129 8.345   1.000 14.939 0 93  ALA A CB  1 ? 
ATOM   702  N  N   . ALA A 1 94  ? 6.055   -29.400 6.909   1.000 12.653 0 94  ALA A N   1 ? 
ATOM   703  C  CA  . ALA A 1 94  ? 4.716   -29.909 6.734   1.000 13.460 0 94  ALA A CA  1 ? 
ATOM   704  C  C   . ALA A 1 94  ? 4.710   -31.398 7.015   1.000 13.064 0 94  ALA A C   1 ? 
ATOM   705  O  O   . ALA A 1 94  ? 5.730   -32.066 6.825   1.000 14.301 0 94  ALA A O   1 ? 
ATOM   706  C  CB  . ALA A 1 94  ? 4.265   -29.662 5.326   1.000 13.736 0 94  ALA A CB  1 ? 
ATOM   707  N  N   . SER A 1 95  ? 3.544   -31.911 7.403   1.000 12.219 0 95  SER A N   1 ? 
ATOM   708  C  CA  . SER A 1 95  ? 3.316   -33.342 7.572   1.000 13.467 0 95  SER A CA  1 ? 
ATOM   709  C  C   . SER A 1 95  ? 2.864   -33.913 6.247   1.000 13.881 0 95  SER A C   1 ? 
ATOM   710  O  O   . SER A 1 95  ? 1.763   -33.632 5.804   1.000 15.339 0 95  SER A O   1 ? 
ATOM   711  C  CB  . SER A 1 95  ? 2.275   -33.624 8.599   1.000 16.839 0 95  SER A CB  1 ? 
ATOM   712  O  OG  . SER A 1 95  ? 2.815   -33.256 9.831   1.000 24.376 0 95  SER A OG  1 ? 
ATOM   713  N  N   . LEU A 1 96  ? 3.702   -34.720 5.600   1.000 12.375 0 96  LEU A N   1 ? 
ATOM   714  C  CA  . LEU A 1 96  ? 3.377   -35.221 4.275   1.000 13.508 0 96  LEU A CA  1 ? 
ATOM   715  C  C   . LEU A 1 96  ? 2.551   -36.496 4.382   1.000 16.121 0 96  LEU A C   1 ? 
ATOM   716  O  O   . LEU A 1 96  ? 2.806   -37.345 5.238   1.000 17.028 0 96  LEU A O   1 ? 
ATOM   717  C  CB  . LEU A 1 96  ? 4.661   -35.479 3.485   1.000 14.474 0 96  LEU A CB  1 ? 
ATOM   718  C  CG  . LEU A 1 96  ? 5.587   -34.274 3.330   1.000 15.742 0 96  LEU A CG  1 ? 
ATOM   719  C  CD1 . LEU A 1 96  ? 6.779   -34.619 2.482   1.000 18.264 0 96  LEU A CD1 1 ? 
ATOM   720  C  CD2 . LEU A 1 96  ? 4.855   -33.117 2.712   1.000 16.408 0 96  LEU A CD2 1 ? 
ATOM   721  N  N   . ASN A 1 97  ? 1.530   -36.553 3.538   1.000 15.091 0 97  ASN A N   1 ? 
ATOM   722  C  CA  . ASN A 1 97  ? 0.534   -37.596 3.487   1.000 17.420 0 97  ASN A CA  1 ? 
ATOM   723  C  C   . ASN A 1 97  ? 0.018   -37.673 2.042   1.000 15.337 0 97  ASN A C   1 ? 
ATOM   724  O  O   . ASN A 1 97  ? 0.586   -37.062 1.120   1.000 16.222 0 97  ASN A O   1 ? 
ATOM   725  C  CB  . ASN A 1 97  ? -0.480  -37.348 4.610   1.000 18.346 0 97  ASN A CB  1 ? 
ATOM   726  C  CG  . ASN A 1 97  ? -1.166  -35.997 4.537   1.000 20.223 0 97  ASN A CG  1 ? 
ATOM   727  O  OD1 . ASN A 1 97  ? -1.249  -35.237 5.510   1.000 23.109 0 97  ASN A OD1 1 ? 
ATOM   728  N  ND2 . ASN A 1 97  ? -1.684  -35.727 3.366   1.000 14.536 0 97  ASN A ND2 1 ? 
ATOM   729  N  N   . SER A 1 98  ? -1.053  -38.442 1.793   1.000 15.118 0 98  SER A N   1 ? 
ATOM   730  C  CA  . SER A 1 98  ? -1.549  -38.576 0.433   1.000 14.814 0 98  SER A CA  1 ? 
ATOM   731  C  C   . SER A 1 98  ? -2.202  -37.298 -0.132  1.000 14.184 0 98  SER A C   1 ? 
ATOM   732  O  O   . SER A 1 98  ? -2.262  -37.119 -1.357  1.000 14.181 0 98  SER A O   1 ? 
ATOM   733  C  CB  . SER A 1 98  ? -2.574  -39.689 0.360   1.000 16.709 0 98  SER A CB  1 ? 
ATOM   734  O  OG  . SER A 1 98  ? -3.711  -39.358 1.169   1.000 17.395 0 98  SER A OG  1 ? 
ATOM   735  N  N   . ARG A 1 99  ? -2.604  -36.373 0.737   1.000 15.239 0 99  ARG A N   1 ? 
ATOM   736  C  CA  . ARG A 1 99  ? -3.265  -35.137 0.320   1.000 13.844 0 99  ARG A CA  1 ? 
ATOM   737  C  C   . ARG A 1 99  ? -2.356  -33.908 0.387   1.000 14.955 0 99  ARG A C   1 ? 
ATOM   738  O  O   . ARG A 1 99  ? -2.747  -32.828 -0.097  1.000 15.090 0 99  ARG A O   1 ? 
ATOM   739  C  CB  . ARG A 1 99  ? -4.512  -34.956 1.182   1.000 14.190 0 99  ARG A CB  1 ? 
ATOM   740  C  CG  . ARG A 1 99  ? -5.508  -36.088 0.978   1.000 14.442 0 99  ARG A CG  1 ? 
ATOM   741  C  CD  . ARG A 1 99  ? -6.706  -35.882 1.877   1.000 17.395 0 99  ARG A CD  1 ? 
ATOM   742  N  NE  . ARG A 1 99  ? -7.772  -36.812 1.536   1.000 20.229 0 99  ARG A NE  1 ? 
ATOM   743  C  CZ  . ARG A 1 99  ? -7.762  -38.093 1.837   1.000 25.208 0 99  ARG A CZ  1 ? 
ATOM   744  N  NH1 . ARG A 1 99  ? -6.893  -38.563 2.730   1.000 27.932 0 99  ARG A NH1 1 ? 
ATOM   745  N  NH2 . ARG A 1 99  ? -8.711  -38.867 1.330   1.000 26.470 0 99  ARG A NH2 1 ? 
ATOM   746  N  N   . VAL A 1 100 ? -1.182  -34.043 1.029   1.000 11.346 0 100 VAL A N   1 ? 
ATOM   747  C  CA  . VAL A 1 100 ? -0.174  -32.994 1.113   1.000 10.719 0 100 VAL A CA  1 ? 
ATOM   748  C  C   . VAL A 1 100 ? 1.136   -33.676 0.755   1.000 11.618 0 100 VAL A C   1 ? 
ATOM   749  O  O   . VAL A 1 100 ? 1.699   -34.468 1.530   1.000 12.830 0 100 VAL A O   1 ? 
ATOM   750  C  CB  . VAL A 1 100 ? -0.126  -32.316 2.479   1.000 11.464 0 100 VAL A CB  1 ? 
ATOM   751  C  CG1 . VAL A 1 100 ? 0.998   -31.305 2.537   1.000 12.580 0 100 VAL A CG1 1 ? 
ATOM   752  C  CG2 . VAL A 1 100 ? -1.474  -31.672 2.802   1.000 12.342 0 100 VAL A CG2 1 ? 
ATOM   753  N  N   . ALA A 1 101 ? 1.619   -33.374 -0.428  1.000 9.679  0 101 ALA A N   1 ? 
ATOM   754  C  CA  . ALA A 1 101 ? 2.752   -34.099 -0.945  1.000 10.196 0 101 ALA A CA  1 ? 
ATOM   755  C  C   . ALA A 1 101 ? 3.606   -33.197 -1.818  1.000 10.105 0 101 ALA A C   1 ? 
ATOM   756  O  O   . ALA A 1 101 ? 3.093   -32.275 -2.442  1.000 11.492 0 101 ALA A O   1 ? 
ATOM   757  C  CB  . ALA A 1 101 ? 2.297   -35.277 -1.749  1.000 10.842 0 101 ALA A CB  1 ? 
ATOM   758  N  N   . SER A 1 102 ? 4.914   -33.478 -1.845  1.000 9.508  0 102 SER A N   1 ? 
ATOM   759  C  CA  . SER A 1 102 ? 5.794   -32.724 -2.726  1.000 9.499  0 102 SER A CA  1 ? 
ATOM   760  C  C   . SER A 1 102 ? 5.659   -33.185 -4.170  1.000 10.426 0 102 SER A C   1 ? 
ATOM   761  O  O   . SER A 1 102 ? 5.286   -34.318 -4.474  1.000 12.001 0 102 SER A O   1 ? 
ATOM   762  C  CB  . SER A 1 102 ? 7.205   -32.844 -2.239  1.000 12.097 0 102 SER A CB  1 ? 
ATOM   763  O  OG  . SER A 1 102 ? 7.579   -34.205 -2.032  1.000 13.897 0 102 SER A OG  1 ? 
ATOM   764  N  N   . ILE A 1 103 ? 6.066   -32.303 -5.092  1.000 8.620  0 103 ILE A N   1 ? 
ATOM   765  C  CA  . ILE A 1 103 ? 6.217   -32.590 -6.507  1.000 9.001  0 103 ILE A CA  1 ? 
ATOM   766  C  C   . ILE A 1 103 ? 7.704   -32.627 -6.855  1.000 8.641  0 103 ILE A C   1 ? 
ATOM   767  O  O   . ILE A 1 103 ? 8.459   -31.761 -6.432  1.000 9.207  0 103 ILE A O   1 ? 
ATOM   768  C  CB  . ILE A 1 103 ? 5.414   -31.619 -7.387  1.000 9.247  0 103 ILE A CB  1 ? 
ATOM   769  C  CG1 . ILE A 1 103 ? 5.300   -32.057 -8.850  1.000 10.686 0 103 ILE A CG1 1 ? 
ATOM   770  C  CG2 . ILE A 1 103 ? 5.937   -30.198 -7.301  1.000 10.261 0 103 ILE A CG2 1 ? 
ATOM   771  C  CD1 . ILE A 1 103 ? 4.561   -33.349 -9.054  1.000 11.630 0 103 ILE A CD1 1 ? 
ATOM   772  N  N   . SER A 1 104 ? 8.100   -33.612 -7.678  1.000 9.541  0 104 SER A N   1 ? 
ATOM   773  C  CA  . SER A 1 104 ? 9.470   -33.704 -8.151  1.000 10.403 0 104 SER A CA  1 ? 
ATOM   774  C  C   . SER A 1 104 ? 9.899   -32.540 -9.049  1.000 9.562  0 104 SER A C   1 ? 
ATOM   775  O  O   . SER A 1 104 ? 9.151   -32.117 -9.921  1.000 9.990  0 104 SER A O   1 ? 
ATOM   776  C  CB  . SER A 1 104 ? 9.681   -35.007 -8.898  1.000 13.115 0 104 SER A CB  1 ? 
ATOM   777  O  OG  . SER A 1 104 ? 9.464   -36.087 -7.991  1.000 16.598 0 104 SER A OG  1 ? 
ATOM   778  N  N   . LEU A 1 105 ? 11.177  -32.145 -8.918  1.000 10.881 0 105 LEU A N   1 ? 
ATOM   779  C  CA  . LEU A 1 105 ? 11.834  -31.280 -9.883  1.000 11.304 0 105 LEU A CA  1 ? 
ATOM   780  C  C   . LEU A 1 105 ? 12.234  -32.050 -11.135 1.000 11.334 0 105 LEU A C   1 ? 
ATOM   781  O  O   . LEU A 1 105 ? 12.376  -33.261 -11.115 1.000 13.489 0 105 LEU A O   1 ? 
ATOM   782  C  CB  . LEU A 1 105 ? 13.075  -30.652 -9.242  1.000 11.949 0 105 LEU A CB  1 ? 
ATOM   783  C  CG  . LEU A 1 105 ? 12.796  -29.683 -8.099  1.000 14.700 0 105 LEU A CG  1 ? 
ATOM   784  C  CD1 . LEU A 1 105 ? 14.075  -29.138 -7.536  1.000 15.102 0 105 LEU A CD1 1 ? 
ATOM   785  C  CD2 . LEU A 1 105 ? 11.887  -28.550 -8.534  1.000 16.385 0 105 LEU A CD2 1 ? 
ATOM   786  N  N   . PRO A 1 106 ? 12.329  -31.369 -12.287 1.000 10.946 0 106 PRO A N   1 ? 
ATOM   787  C  CA  . PRO A 1 106 ? 12.678  -32.039 -13.535 1.000 13.409 0 106 PRO A CA  1 ? 
ATOM   788  C  C   . PRO A 1 106 ? 14.141  -32.430 -13.516 1.000 14.582 0 106 PRO A C   1 ? 
ATOM   789  O  O   . PRO A 1 106 ? 14.939  -31.772 -12.878 1.000 13.755 0 106 PRO A O   1 ? 
ATOM   790  C  CB  . PRO A 1 106 ? 12.377  -31.038 -14.630 1.000 14.125 0 106 PRO A CB  1 ? 
ATOM   791  C  CG  . PRO A 1 106 ? 12.248  -29.714 -13.941 1.000 13.648 0 106 PRO A CG  1 ? 
ATOM   792  C  CD  . PRO A 1 106 ? 12.024  -29.940 -12.462 1.000 12.781 0 106 PRO A CD  1 ? 
ATOM   793  N  N   . THR A 1 107 ? 14.458  -33.570 -14.143 1.000 19.348 0 107 THR A N   1 ? 
ATOM   794  C  CA  . THR A 1 107 ? 15.860  -33.887 -14.397 1.000 20.866 0 107 THR A CA  1 ? 
ATOM   795  C  C   . THR A 1 107 ? 16.205  -33.466 -15.826 1.000 20.588 0 107 THR A C   1 ? 
ATOM   796  O  O   . THR A 1 107 ? 17.380  -33.313 -16.145 1.000 24.387 0 107 THR A O   1 ? 
ATOM   797  C  CB  . THR A 1 107 ? 16.147  -35.368 -14.115 1.000 23.730 0 107 THR A CB  1 ? 
ATOM   798  O  OG1 . THR A 1 107 ? 15.388  -36.065 -15.072 1.000 24.014 0 107 THR A OG1 1 ? 
ATOM   799  C  CG2 . THR A 1 107 ? 15.658  -35.855 -12.782 1.000 26.458 0 107 THR A CG2 1 ? 
ATOM   800  N  N   . SER A 1 108 ? 15.171  -33.229 -16.630 1.000 20.832 0 108 SER A N   1 ? 
ATOM   801  C  CA  . SER A 1 108 ? 15.285  -32.741 -17.976 1.000 20.653 0 108 SER A CA  1 ? 
ATOM   802  C  C   . SER A 1 108 ? 14.148  -31.777 -18.324 1.000 18.384 0 108 SER A C   1 ? 
ATOM   803  O  O   . SER A 1 108 ? 13.029  -31.905 -17.818 1.000 17.590 0 108 SER A O   1 ? 
ATOM   804  C  CB  . SER A 1 108 ? 15.263  -33.942 -18.887 1.000 24.034 0 108 SER A CB  1 ? 
ATOM   805  O  OG  . SER A 1 108 ? 15.081  -33.491 -20.186 1.000 33.761 0 108 SER A OG  1 ? 
ATOM   806  N  N   . CYS A 1 109 ? 14.440  -30.835 -19.217 1.000 16.016 0 109 CYS A N   1 ? 
ATOM   807  C  CA  . CYS A 1 109 ? 13.394  -29.942 -19.709 1.000 14.834 0 109 CYS A CA  1 ? 
ATOM   808  C  C   . CYS A 1 109 ? 12.373  -30.716 -20.535 1.000 16.848 0 109 CYS A C   1 ? 
ATOM   809  O  O   . CYS A 1 109 ? 12.682  -31.746 -21.146 1.000 19.778 0 109 CYS A O   1 ? 
ATOM   810  C  CB  . CYS A 1 109 ? 13.970  -28.816 -20.540 1.000 14.169 0 109 CYS A CB  1 ? 
ATOM   811  S  SG  . CYS A 1 109 ? 15.178  -27.814 -19.680 1.000 14.077 0 109 CYS A SG  1 ? 
ATOM   812  N  N   . ALA A 1 110 ? 11.119  -30.266 -20.522 1.000 15.379 0 110 ALA A N   1 ? 
ATOM   813  C  CA  . ALA A 1 110 ? 10.065  -30.803 -21.362 1.000 16.035 0 110 ALA A CA  1 ? 
ATOM   814  C  C   . ALA A 1 110 ? 10.187  -30.222 -22.754 1.000 19.115 0 110 ALA A C   1 ? 
ATOM   815  O  O   . ALA A 1 110 ? 11.109  -29.413 -22.997 1.000 23.706 0 110 ALA A O   1 ? 
ATOM   816  C  CB  . ALA A 1 110 ? 8.709   -30.567 -20.743 1.000 16.995 0 110 ALA A CB  1 ? 
ATOM   817  N  N   . SER A 1 111 ? 9.430   -30.812 -23.680 1.000 16.122 0 111 SER A N   1 ? 
ATOM   818  C  CA  . SER A 1 111 ? 9.378   -30.413 -25.082 1.000 17.043 0 111 SER A CA  1 ? 
ATOM   819  C  C   . SER A 1 111 ? 7.996   -29.876 -25.447 1.000 14.748 0 111 SER A C   1 ? 
ATOM   820  O  O   . SER A 1 111 ? 6.962   -30.330 -24.947 1.000 13.686 0 111 SER A O   1 ? 
ATOM   821  C  CB  . SER A 1 111 ? 9.658   -31.648 -25.999 1.000 18.873 0 111 SER A CB  1 ? 
ATOM   822  O  OG  . SER A 1 111 ? 10.896  -32.185 -25.699 1.000 24.920 0 111 SER A OG  1 ? 
ATOM   823  N  N   . ALA A 1 112 ? 7.981   -29.083 -26.500 1.000 14.181 0 112 ALA A N   1 ? 
ATOM   824  C  CA  . ALA A 1 112 ? 6.726   -28.700 -27.118 1.000 13.451 0 112 ALA A CA  1 ? 
ATOM   825  C  C   . ALA A 1 112 ? 5.920   -29.952 -27.491 1.000 13.981 0 112 ALA A C   1 ? 
ATOM   826  O  O   . ALA A 1 112 ? 6.461   -30.966 -27.952 1.000 13.788 0 112 ALA A O   1 ? 
ATOM   827  C  CB  . ALA A 1 112 ? 7.012   -27.893 -28.347 1.000 14.950 0 112 ALA A CB  1 ? 
ATOM   828  N  N   . GLY A 1 113 ? 4.624   -29.871 -27.228 1.000 12.404 0 113 GLY A N   1 ? 
ATOM   829  C  CA  . GLY A 1 113 ? 3.682   -30.936 -27.445 1.000 13.093 0 113 GLY A CA  1 ? 
ATOM   830  C  C   . GLY A 1 113 ? 3.372   -31.747 -26.199 1.000 13.074 0 113 GLY A C   1 ? 
ATOM   831  O  O   . GLY A 1 113 ? 2.364   -32.444 -26.200 1.000 16.480 0 113 GLY A O   1 ? 
ATOM   832  N  N   . THR A 1 114 ? 4.194   -31.620 -25.161 1.000 13.038 0 114 THR A N   1 ? 
ATOM   833  C  CA  . THR A 1 114 ? 3.930   -32.356 -23.928 1.000 14.634 0 114 THR A CA  1 ? 
ATOM   834  C  C   . THR A 1 114 ? 2.677   -31.778 -23.280 1.000 13.697 0 114 THR A C   1 ? 
ATOM   835  O  O   . THR A 1 114 ? 2.531   -30.570 -23.158 1.000 12.642 0 114 THR A O   1 ? 
ATOM   836  C  CB  . THR A 1 114 ? 5.147   -32.293 -23.014 1.000 17.740 0 114 THR A CB  1 ? 
ATOM   837  O  OG1 . THR A 1 114 ? 6.201   -32.970 -23.705 1.000 22.738 0 114 THR A OG1 1 ? 
ATOM   838  C  CG2 . THR A 1 114 ? 4.954   -32.990 -21.677 1.000 16.490 0 114 THR A CG2 1 ? 
ATOM   839  N  N   . GLN A 1 115 ? 1.812   -32.655 -22.778 1.000 12.707 0 115 GLN A N   1 ? 
ATOM   840  C  CA  . GLN A 1 115 ? 0.623   -32.277 -22.054 1.000 15.130 0 115 GLN A CA  1 ? 
ATOM   841  C  C   . GLN A 1 115 ? 0.973   -32.145 -20.572 1.000 13.522 0 115 GLN A C   1 ? 
ATOM   842  O  O   . GLN A 1 115 ? 1.758   -32.905 -19.965 1.000 12.887 0 115 GLN A O   1 ? 
ATOM   843  C  CB  . GLN A 1 115 ? -0.488  -33.296 -22.262 1.000 19.795 0 115 GLN A CB  1 ? 
ATOM   844  C  CG  . GLN A 1 115 ? -1.876  -32.675 -22.155 1.000 27.343 0 115 GLN A CG  1 ? 
ATOM   845  C  CD  . GLN A 1 115 ? -2.390  -31.982 -23.409 1.000 31.479 0 115 GLN A CD  1 ? 
ATOM   846  O  OE1 . GLN A 1 115 ? -3.315  -31.166 -23.345 1.000 42.685 0 115 GLN A OE1 1 ? 
ATOM   847  N  NE2 . GLN A 1 115 ? -1.854  -32.322 -24.573 1.000 36.742 0 115 GLN A NE2 1 ? 
ATOM   848  N  N   . CYS A 1 116 ? 0.407   -31.068 -20.004 1.000 11.126 0 116 CYS A N   1 ? 
ATOM   849  C  CA  . CYS A 1 116 ? 0.688   -30.684 -18.629 1.000 10.402 0 116 CYS A CA  1 ? 
ATOM   850  C  C   . CYS A 1 116 ? -0.609  -30.300 -17.908 1.000 9.010  0 116 CYS A C   1 ? 
ATOM   851  O  O   . CYS A 1 116 ? -1.631  -30.057 -18.525 1.000 11.457 0 116 CYS A O   1 ? 
ATOM   852  C  CB  . CYS A 1 116 ? 1.624   -29.480 -18.590 1.000 9.829  0 116 CYS A CB  1 ? 
ATOM   853  S  SG  . CYS A 1 116 ? 3.191   -29.707 -19.501 1.000 10.823 0 116 CYS A SG  1 ? 
ATOM   854  N  N   . LEU A 1 117 ? -0.555  -30.290 -16.574 1.000 8.515  0 117 LEU A N   1 ? 
ATOM   855  C  CA  . LEU A 1 117 ? -1.687  -29.937 -15.720 1.000 8.147  0 117 LEU A CA  1 ? 
ATOM   856  C  C   . LEU A 1 117 ? -1.326  -28.637 -15.017 1.000 7.411  0 117 LEU A C   1 ? 
ATOM   857  O  O   . LEU A 1 117 ? -0.288  -28.533 -14.360 1.000 6.756  0 117 LEU A O   1 ? 
ATOM   858  C  CB  . LEU A 1 117 ? -1.957  -31.034 -14.687 1.000 9.117  0 117 LEU A CB  1 ? 
ATOM   859  C  CG  . LEU A 1 117 ? -3.097  -30.756 -13.733 1.000 9.695  0 117 LEU A CG  1 ? 
ATOM   860  C  CD1 . LEU A 1 117 ? -4.451  -30.845 -14.421 1.000 11.138 0 117 LEU A CD1 1 ? 
ATOM   861  C  CD2 . LEU A 1 117 ? -3.046  -31.635 -12.487 1.000 11.178 0 117 LEU A CD2 1 ? 
ATOM   862  N  N   . ILE A 1 118 ? -2.183  -27.636 -15.189 1.000 6.705  0 118 ILE A N   1 ? 
ATOM   863  C  CA  . ILE A 1 118 ? -2.036  -26.297 -14.617 1.000 7.230  0 118 ILE A CA  1 ? 
ATOM   864  C  C   . ILE A 1 118 ? -3.180  -26.124 -13.644 1.000 7.055  0 118 ILE A C   1 ? 
ATOM   865  O  O   . ILE A 1 118 ? -4.305  -26.532 -13.914 1.000 7.409  0 118 ILE A O   1 ? 
ATOM   866  C  CB  . ILE A 1 118 ? -2.099  -25.215 -15.721 1.000 8.130  0 118 ILE A CB  1 ? 
ATOM   867  C  CG1 . ILE A 1 118 ? -1.082  -25.544 -16.822 1.000 9.877  0 118 ILE A CG1 1 ? 
ATOM   868  C  CG2 . ILE A 1 118 ? -1.844  -23.857 -15.108 1.000 9.307  0 118 ILE A CG2 1 ? 
ATOM   869  C  CD1 . ILE A 1 118 ? -1.222  -24.726 -18.092 1.000 12.478 0 118 ILE A CD1 1 ? 
ATOM   870  N  N   . SER A 1 119 ? -2.927  -25.533 -12.455 1.000 5.725  0 119 SER A N   1 ? 
ATOM   871  C  CA  . SER A 1 119 ? -3.983  -25.495 -11.444 1.000 6.125  0 119 SER A CA  1 ? 
ATOM   872  C  C   . SER A 1 119 ? -3.900  -24.188 -10.664 1.000 6.222  0 119 SER A C   1 ? 
ATOM   873  O  O   . SER A 1 119 ? -2.855  -23.575 -10.565 1.000 7.213  0 119 SER A O   1 ? 
ATOM   874  C  CB  . SER A 1 119 ? -3.925  -26.697 -10.551 1.000 6.014  0 119 SER A CB  1 ? 
ATOM   875  O  OG  . SER A 1 119 ? -2.588  -26.908 -10.059 1.000 7.032  0 119 SER A OG  1 ? 
ATOM   876  N  N   . GLY A 1 120 ? -5.034  -23.797 -10.091 1.000 6.215  0 120 GLY A N   1 ? 
ATOM   877  C  CA  . GLY A 1 120 ? -5.061  -22.603 -9.246  1.000 6.209  0 120 GLY A CA  1 ? 
ATOM   878  C  C   . GLY A 1 120 ? -6.470  -22.138 -8.879  1.000 7.175  0 120 GLY A C   1 ? 
ATOM   879  O  O   . GLY A 1 120 ? -7.493  -22.637 -9.349  1.000 8.018  0 120 GLY A O   1 ? 
ATOM   880  N  N   . TRP A 1 121 ? -6.506  -21.093 -8.016  1.000 6.405  0 121 TRP A N   1 ? 
ATOM   881  C  CA  . TRP A 1 121 ? -7.732  -20.447 -7.546  1.000 7.033  0 121 TRP A CA  1 ? 
ATOM   882  C  C   . TRP A 1 121 ? -7.893  -19.058 -8.175  1.000 7.886  0 121 TRP A C   1 ? 
ATOM   883  O  O   . TRP A 1 121 ? -8.606  -18.218 -7.604  1.000 9.677  0 121 TRP A O   1 ? 
ATOM   884  C  CB  . TRP A 1 121 ? -7.656  -20.307 -6.008  1.000 7.615  0 121 TRP A CB  1 ? 
ATOM   885  C  CG  . TRP A 1 121 ? -7.759  -21.591 -5.247  1.000 7.007  0 121 TRP A CG  1 ? 
ATOM   886  C  CD1 . TRP A 1 121 ? -8.911  -22.230 -4.903  1.000 7.760  0 121 TRP A CD1 1 ? 
ATOM   887  C  CD2 . TRP A 1 121 ? -6.709  -22.387 -4.679  1.000 7.049  0 121 TRP A CD2 1 ? 
ATOM   888  N  NE1 . TRP A 1 121 ? -8.652  -23.363 -4.167  1.000 8.218  0 121 TRP A NE1 1 ? 
ATOM   889  C  CE2 . TRP A 1 121 ? -7.294  -23.472 -3.995  1.000 6.614  0 121 TRP A CE2 1 ? 
ATOM   890  C  CE3 . TRP A 1 121 ? -5.324  -22.229 -4.608  1.000 7.085  0 121 TRP A CE3 1 ? 
ATOM   891  C  CZ2 . TRP A 1 121 ? -6.539  -24.433 -3.343  1.000 7.587  0 121 TRP A CZ2 1 ? 
ATOM   892  C  CZ3 . TRP A 1 121 ? -4.579  -23.181 -3.975  1.000 7.494  0 121 TRP A CZ3 1 ? 
ATOM   893  C  CH2 . TRP A 1 121 ? -5.187  -24.261 -3.323  1.000 7.273  0 121 TRP A CH2 1 ? 
ATOM   894  N  N   . GLY A 1 122 ? -7.290  -18.834 -9.342  1.000 7.070  0 122 GLY A N   1 ? 
ATOM   895  C  CA  . GLY A 1 122 ? -7.434  -17.552 -9.997  1.000 7.773  0 122 GLY A CA  1 ? 
ATOM   896  C  C   . GLY A 1 122 ? -8.751  -17.385 -10.759 1.000 7.382  0 122 GLY A C   1 ? 
ATOM   897  O  O   . GLY A 1 122 ? -9.628  -18.251 -10.764 1.000 7.229  0 122 GLY A O   1 ? 
ATOM   898  N  N   . ASN A 1 123 ? -8.848  -16.207 -11.356 1.000 8.071  0 123 ASN A N   1 ? 
ATOM   899  C  CA  . ASN A 1 123 ? -10.066 -15.789 -12.074 1.000 8.763  0 123 ASN A CA  1 ? 
ATOM   900  C  C   . ASN A 1 123 ? -10.449 -16.855 -13.103 1.000 9.127  0 123 ASN A C   1 ? 
ATOM   901  O  O   . ASN A 1 123 ? -9.574  -17.401 -13.808 1.000 7.567  0 123 ASN A O   1 ? 
ATOM   902  C  CB  . ASN A 1 123 ? -9.753  -14.422 -12.704 1.000 9.038  0 123 ASN A CB  1 ? 
ATOM   903  C  CG  . ASN A 1 123 ? -10.897 -13.693 -13.359 1.000 11.514 0 123 ASN A CG  1 ? 
ATOM   904  O  OD1 . ASN A 1 123 ? -12.041 -14.138 -13.323 1.000 12.621 0 123 ASN A OD1 1 ? 
ATOM   905  N  ND2 . ASN A 1 123 ? -10.574 -12.546 -13.964 1.000 14.325 0 123 ASN A ND2 1 ? 
ATOM   906  N  N   . THR A 1 124 ? -11.771 -17.097 -13.228 1.000 9.863  0 124 THR A N   1 ? 
ATOM   907  C  CA  . THR A 1 124 ? -12.320 -18.060 -14.173 1.000 9.970  0 124 THR A CA  1 ? 
ATOM   908  C  C   . THR A 1 124 ? -12.954 -17.389 -15.386 1.000 11.271 0 124 THR A C   1 ? 
ATOM   909  O  O   . THR A 1 124 ? -13.352 -18.090 -16.312 1.000 12.056 0 124 THR A O   1 ? 
ATOM   910  C  CB  . THR A 1 124 ? -13.314 -19.035 -13.515 1.000 11.385 0 124 THR A CB  1 ? 
ATOM   911  O  OG1 . THR A 1 124 ? -14.413 -18.234 -13.096 1.000 12.713 0 124 THR A OG1 1 ? 
ATOM   912  C  CG2 . THR A 1 124 ? -12.684 -19.776 -12.357 1.000 10.715 0 124 THR A CG2 1 ? 
ATOM   913  N  N   . LYS A 1 125 ? -12.911 -16.070 -15.463 1.000 13.836 0 125 LYS A N   1 ? 
ATOM   914  C  CA  . LYS A 1 125 ? -13.487 -15.365 -16.608 1.000 17.231 0 125 LYS A CA  1 ? 
ATOM   915  C  C   . LYS A 1 125 ? -12.433 -14.742 -17.510 1.000 17.158 0 125 LYS A C   1 ? 
ATOM   916  O  O   . LYS A 1 125 ? -11.442 -14.200 -17.042 1.000 18.246 0 125 LYS A O   1 ? 
ATOM   917  C  CB  . LYS A 1 125 ? -14.358 -14.237 -16.060 1.000 22.235 0 125 LYS A CB  1 ? 
ATOM   918  C  CG  . LYS A 1 125 ? -15.530 -14.721 -15.229 1.000 28.255 0 125 LYS A CG  1 ? 
ATOM   919  C  CD  . LYS A 1 125 ? -16.242 -15.883 -15.854 1.000 31.550 0 125 LYS A CD  1 ? 
ATOM   920  C  CE  . LYS A 1 125 ? -17.500 -15.419 -16.554 1.000 42.953 0 125 LYS A CE  1 ? 
ATOM   921  N  NZ  . LYS A 1 125 ? -18.544 -15.059 -15.565 1.000 44.523 0 125 LYS A NZ  1 ? 
ATOM   922  N  N   . SER A 1 126 ? -12.634 -14.802 -18.836 1.000 20.955 0 126 SER A N   1 ? 
ATOM   923  C  CA  . SER A 1 126 ? -11.695 -14.168 -19.754 1.000 22.763 0 126 SER A CA  1 ? 
ATOM   924  C  C   . SER A 1 126 ? -11.946 -12.665 -19.917 1.000 25.601 0 126 SER A C   1 ? 
ATOM   925  O  O   . SER A 1 126 ? -11.048 -11.937 -20.340 1.000 28.308 0 126 SER A O   1 ? 
ATOM   926  C  CB  . SER A 1 126 ? -11.693 -14.870 -21.079 1.000 22.629 0 126 SER A CB  1 ? 
ATOM   927  O  OG  . SER A 1 126 ? -12.940 -14.755 -21.747 1.000 23.216 0 126 SER A OG  1 ? 
ATOM   928  N  N   . SER A 1 127 ? -13.174 -12.194 -19.638 1.000 28.640 0 127 SER A N   1 ? 
ATOM   929  C  CA  . SER A 1 127 ? -13.394 -10.767 -19.451 1.000 32.891 0 127 SER A CA  1 ? 
ATOM   930  C  C   . SER A 1 127 ? -14.247 -10.576 -18.201 1.000 31.684 0 127 SER A C   1 ? 
ATOM   931  O  O   . SER A 1 127 ? -15.175 -11.322 -17.955 1.000 33.970 0 127 SER A O   1 ? 
ATOM   932  C  CB  . SER A 1 127 ? -14.004 -10.112 -20.661 1.000 38.421 0 127 SER A CB  1 ? 
ATOM   933  O  OG  . SER A 1 127 ? -15.097 -10.869 -21.136 1.000 45.777 0 127 SER A OG  1 ? 
ATOM   934  N  N   . GLY A 1 128 ? -13.871 -9.630  -17.357 1.000 34.109 0 128 GLY A N   1 ? 
ATOM   935  C  CA  . GLY A 1 128 ? -14.544 -9.546  -16.074 1.000 34.153 0 128 GLY A CA  1 ? 
ATOM   936  C  C   . GLY A 1 128 ? -13.966 -10.579 -15.110 1.000 29.932 0 128 GLY A C   1 ? 
ATOM   937  O  O   . GLY A 1 128 ? -12.868 -11.115 -15.360 1.000 26.734 0 128 GLY A O   1 ? 
ATOM   938  N  N   . THR A 1 129 ? -14.701 -10.806 -14.002 1.000 23.632 0 129 THR A N   1 ? 
ATOM   939  C  CA  . THR A 1 129 ? -14.060 -11.308 -12.799 1.000 20.463 0 129 THR A CA  1 ? 
ATOM   940  C  C   . THR A 1 129 ? -14.987 -12.218 -12.004 1.000 18.364 0 129 THR A C   1 ? 
ATOM   941  O  O   . THR A 1 129 ? -16.033 -11.797 -11.523 1.000 20.417 0 129 THR A O   1 ? 
ATOM   942  C  CB  . THR A 1 129 ? -13.611 -10.144 -11.923 1.000 23.436 0 129 THR A CB  1 ? 
ATOM   943  O  OG1 . THR A 1 129 ? -12.783 -9.347  -12.766 1.000 30.166 0 129 THR A OG1 1 ? 
ATOM   944  C  CG2 . THR A 1 129 ? -12.832 -10.542 -10.700 1.000 26.966 0 129 THR A CG2 1 ? 
ATOM   945  N  N   . SER A 1 130 ? -14.517 -13.454 -11.782 1.000 15.592 0 130 SER A N   1 ? 
ATOM   946  C  CA  . SER A 1 130 ? -15.153 -14.385 -10.867 1.000 15.470 0 130 SER A CA  1 ? 
ATOM   947  C  C   . SER A 1 130 ? -14.093 -15.317 -10.269 1.000 13.644 0 130 SER A C   1 ? 
ATOM   948  O  O   . SER A 1 130 ? -13.375 -16.001 -11.011 1.000 14.366 0 130 SER A O   1 ? 
ATOM   949  C  CB  . SER A 1 130 ? -16.143 -15.202 -11.561 1.000 17.384 0 130 SER A CB  1 ? 
ATOM   950  O  OG  . SER A 1 130 ? -16.823 -16.002 -10.613 1.000 17.274 0 130 SER A OG  1 ? 
ATOM   951  N  N   . TYR A 1 131 ? -13.970 -15.292 -8.948  1.000 13.059 0 131 TYR A N   1 ? 
ATOM   952  C  CA  . TYR A 1 131 ? -12.945 -16.070 -8.266  1.000 13.380 0 131 TYR A CA  1 ? 
ATOM   953  C  C   . TYR A 1 131 ? -13.610 -17.296 -7.677  1.000 14.821 0 131 TYR A C   1 ? 
ATOM   954  O  O   . TYR A 1 131 ? -14.612 -17.175 -6.957  1.000 15.899 0 131 TYR A O   1 ? 
ATOM   955  C  CB  . TYR A 1 131 ? -12.186 -15.239 -7.224  1.000 14.513 0 131 TYR A CB  1 ? 
ATOM   956  C  CG  . TYR A 1 131 ? -11.194 -14.315 -7.875  1.000 15.463 0 131 TYR A CG  1 ? 
ATOM   957  C  CD1 . TYR A 1 131 ? -11.587 -13.087 -8.382  1.000 16.839 0 131 TYR A CD1 1 ? 
ATOM   958  C  CD2 . TYR A 1 131 ? -9.885  -14.725 -8.094  1.000 17.381 0 131 TYR A CD2 1 ? 
ATOM   959  C  CE1 . TYR A 1 131 ? -10.689 -12.248 -9.021  1.000 19.010 0 131 TYR A CE1 1 ? 
ATOM   960  C  CE2 . TYR A 1 131 ? -8.975  -13.890 -8.717  1.000 18.840 0 131 TYR A CE2 1 ? 
ATOM   961  C  CZ  . TYR A 1 131 ? -9.385  -12.655 -9.190  1.000 19.947 0 131 TYR A CZ  1 ? 
ATOM   962  O  OH  . TYR A 1 131 ? -8.482  -11.830 -9.824  1.000 27.574 0 131 TYR A OH  1 ? 
ATOM   963  N  N   . PRO A 1 132 ? -13.092 -18.514 -7.949  1.000 11.695 0 132 PRO A N   1 ? 
ATOM   964  C  CA  . PRO A 1 132 ? -13.648 -19.762 -7.426  1.000 12.057 0 132 PRO A CA  1 ? 
ATOM   965  C  C   . PRO A 1 132 ? -13.174 -19.945 -5.985  1.000 13.435 0 132 PRO A C   1 ? 
ATOM   966  O  O   . PRO A 1 132 ? -12.167 -19.415 -5.525  1.000 17.649 0 132 PRO A O   1 ? 
ATOM   967  C  CB  . PRO A 1 132 ? -13.047 -20.815 -8.368  1.000 11.685 0 132 PRO A CB  1 ? 
ATOM   968  C  CG  . PRO A 1 132 ? -11.678 -20.253 -8.634  1.000 11.263 0 132 PRO A CG  1 ? 
ATOM   969  C  CD  . PRO A 1 132 ? -11.877 -18.740 -8.731  1.000 11.207 0 132 PRO A CD  1 ? 
ATOM   970  N  N   . ASP A 1 133 ? -13.911 -20.752 -5.284  1.000 14.627 0 133 ASP A N   1 ? 
ATOM   971  C  CA  . ASP A 1 133 ? -13.484 -21.072 -3.939  1.000 15.070 0 133 ASP A CA  1 ? 
ATOM   972  C  C   . ASP A 1 133 ? -12.725 -22.398 -3.945  1.000 12.965 0 133 ASP A C   1 ? 
ATOM   973  O  O   . ASP A 1 133 ? -11.847 -22.564 -3.107  1.000 11.417 0 133 ASP A O   1 ? 
ATOM   974  C  CB  . ASP A 1 133 ? -14.632 -20.989 -2.945  1.000 18.803 0 133 ASP A CB  1 ? 
ATOM   975  C  CG  . ASP A 1 133 ? -15.837 -21.883 -3.178  1.000 25.234 0 133 ASP A CG  1 ? 
ATOM   976  O  OD1 . ASP A 1 133 ? -15.932 -22.566 -4.251  1.000 28.862 0 133 ASP A OD1 1 ? 
ATOM   977  O  OD2 . ASP A 1 133 ? -16.775 -21.807 -2.332  1.000 36.760 0 133 ASP A OD2 1 ? 
ATOM   978  N  N   . VAL A 1 134 ? -12.995 -23.275 -4.919  1.000 11.065 0 134 VAL A N   1 ? 
ATOM   979  C  CA  . VAL A 1 134 ? -12.369 -24.589 -4.981  1.000 9.856  0 134 VAL A CA  1 ? 
ATOM   980  C  C   . VAL A 1 134 ? -11.326 -24.586 -6.099  1.000 8.560  0 134 VAL A C   1 ? 
ATOM   981  O  O   . VAL A 1 134 ? -11.358 -23.759 -6.986  1.000 9.085  0 134 VAL A O   1 ? 
ATOM   982  C  CB  . VAL A 1 134 ? -13.360 -25.734 -5.185  1.000 10.499 0 134 VAL A CB  1 ? 
ATOM   983  C  CG1 . VAL A 1 134 ? -14.297 -25.839 -3.982  1.000 12.537 0 134 VAL A CG1 1 ? 
ATOM   984  C  CG2 . VAL A 1 134 ? -14.086 -25.621 -6.502  1.000 12.184 0 134 VAL A CG2 1 ? 
ATOM   985  N  N   . LEU A 1 135 ? -10.388 -25.517 -6.019  1.000 8.274  0 135 LEU A N   1 ? 
ATOM   986  C  CA  . LEU A 1 135 ? -9.258  -25.552 -6.940  1.000 7.407  0 135 LEU A CA  1 ? 
ATOM   987  C  C   . LEU A 1 135 ? -9.714  -25.930 -8.344  1.000 7.390  0 135 LEU A C   1 ? 
ATOM   988  O  O   . LEU A 1 135 ? -10.443 -26.910 -8.534  1.000 7.480  0 135 LEU A O   1 ? 
ATOM   989  C  CB  . LEU A 1 135 ? -8.170  -26.512 -6.431  1.000 7.357  0 135 LEU A CB  1 ? 
ATOM   990  C  CG  . LEU A 1 135 ? -6.853  -26.553 -7.184  1.000 7.645  0 135 LEU A CG  1 ? 
ATOM   991  C  CD1 . LEU A 1 135 ? -6.106  -25.233 -7.079  1.000 7.490  0 135 LEU A CD1 1 ? 
ATOM   992  C  CD2 . LEU A 1 135 ? -5.947  -27.647 -6.699  1.000 8.360  0 135 LEU A CD2 1 ? 
ATOM   993  N  N   . LYS A 1 136 ? -9.200  -25.229 -9.353  1.000 7.384  0 136 LYS A N   1 ? 
ATOM   994  C  CA  . LYS A 1 136 ? -9.498  -25.493 -10.745 1.000 8.082  0 136 LYS A CA  1 ? 
ATOM   995  C  C   . LYS A 1 136 ? -8.249  -26.022 -11.431 1.000 8.260  0 136 LYS A C   1 ? 
ATOM   996  O  O   . LYS A 1 136 ? -7.137  -25.640 -11.054 1.000 7.272  0 136 LYS A O   1 ? 
ATOM   997  C  CB  . LYS A 1 136 ? -10.037 -24.242 -11.446 1.000 9.492  0 136 LYS A CB  1 ? 
ATOM   998  C  CG  . LYS A 1 136 ? -11.285 -23.665 -10.823 1.000 11.209 0 136 LYS A CG  1 ? 
ATOM   999  C  CD  . LYS A 1 136 ? -12.490 -24.512 -11.088 1.000 15.101 0 136 LYS A CD  1 ? 
ATOM   1000 C  CE  . LYS A 1 136 ? -13.732 -24.028 -10.363 1.000 16.934 0 136 LYS A CE  1 ? 
ATOM   1001 N  NZ  . LYS A 1 136 ? -14.910 -24.747 -10.883 1.000 21.788 0 136 LYS A NZ  1 ? 
ATOM   1002 N  N   . CYS A 1 137 ? -8.499  -26.780 -12.499 1.000 7.455  0 137 CYS A N   1 ? 
ATOM   1003 C  CA  . CYS A 1 137 ? -7.478  -27.521 -13.220 1.000 6.878  0 137 CYS A CA  1 ? 
ATOM   1004 C  C   . CYS A 1 137 ? -7.653  -27.282 -14.722 1.000 7.226  0 137 CYS A C   1 ? 
ATOM   1005 O  O   . CYS A 1 137 ? -8.758  -27.070 -15.189 1.000 8.502  0 137 CYS A O   1 ? 
ATOM   1006 C  CB  . CYS A 1 137 ? -7.637  -29.011 -12.958 1.000 7.568  0 137 CYS A CB  1 ? 
ATOM   1007 S  SG  . CYS A 1 137 ? -6.775  -29.575 -11.437 1.000 8.240  0 137 CYS A SG  1 ? 
ATOM   1008 N  N   . LEU A 1 138 ? -6.541  -27.362 -15.448 1.000 6.936  0 138 LEU A N   1 ? 
ATOM   1009 C  CA  . LEU A 1 138 ? -6.546  -27.254 -16.892 1.000 7.479  0 138 LEU A CA  1 ? 
ATOM   1010 C  C   . LEU A 1 138 ? -5.449  -28.132 -17.445 1.000 7.261  0 138 LEU A C   1 ? 
ATOM   1011 O  O   . LEU A 1 138 ? -4.303  -28.049 -17.027 1.000 7.412  0 138 LEU A O   1 ? 
ATOM   1012 C  CB  . LEU A 1 138 ? -6.270  -25.791 -17.305 1.000 8.304  0 138 LEU A CB  1 ? 
ATOM   1013 C  CG  . LEU A 1 138 ? -6.168  -25.590 -18.827 1.000 8.890  0 138 LEU A CG  1 ? 
ATOM   1014 C  CD1 . LEU A 1 138 ? -7.477  -25.841 -19.525 1.000 9.595  0 138 LEU A CD1 1 ? 
ATOM   1015 C  CD2 . LEU A 1 138 ? -5.698  -24.177 -19.169 1.000 9.567  0 138 LEU A CD2 1 ? 
ATOM   1016 N  N   . LYS A 1 139 ? -5.783  -28.989 -18.404 1.000 7.461  0 139 LYS A N   1 ? 
ATOM   1017 C  CA  . LYS A 1 139 ? -4.793  -29.708 -19.170 1.000 8.567  0 139 LYS A CA  1 ? 
ATOM   1018 C  C   . LYS A 1 139 ? -4.458  -28.893 -20.412 1.000 8.670  0 139 LYS A C   1 ? 
ATOM   1019 O  O   . LYS A 1 139 ? -5.360  -28.482 -21.129 1.000 10.129 0 139 LYS A O   1 ? 
ATOM   1020 C  CB  . LYS A 1 139 ? -5.320  -31.103 -19.522 1.000 9.111  0 139 LYS A CB  1 ? 
ATOM   1021 C  CG  . LYS A 1 139 ? -5.369  -32.001 -18.301 1.000 10.611 0 139 LYS A CG  1 ? 
ATOM   1022 C  CD  . LYS A 1 139 ? -5.785  -33.433 -18.645 1.000 11.662 0 139 LYS A CD  1 ? 
ATOM   1023 C  CE  . LYS A 1 139 ? -5.748  -34.316 -17.414 1.000 12.762 0 139 LYS A CE  1 ? 
ATOM   1024 N  NZ  . LYS A 1 139 ? -6.080  -35.703 -17.785 1.000 14.245 0 139 LYS A NZ  1 ? 
ATOM   1025 N  N   . ALA A 1 140 ? -3.161  -28.733 -20.654 1.000 9.359  0 140 ALA A N   1 ? 
ATOM   1026 C  CA  . ALA A 1 140 ? -2.733  -27.907 -21.764 1.000 10.062 0 140 ALA A CA  1 ? 
ATOM   1027 C  C   . ALA A 1 140 ? -1.375  -28.356 -22.267 1.000 9.518  0 140 ALA A C   1 ? 
ATOM   1028 O  O   . ALA A 1 140 ? -0.532  -28.761 -21.468 1.000 10.172 0 140 ALA A O   1 ? 
ATOM   1029 C  CB  . ALA A 1 140 ? -2.611  -26.499 -21.245 1.000 10.841 0 140 ALA A CB  1 ? 
ATOM   1030 N  N   . PRO A 1 141 ? -1.108  -28.237 -23.580 1.000 9.281  0 141 PRO A N   1 ? 
ATOM   1031 C  CA  . PRO A 1 141 ? 0.212   -28.584 -24.088 1.000 9.162  0 141 PRO A CA  1 ? 
ATOM   1032 C  C   . PRO A 1 141 ? 1.174   -27.400 -24.070 1.000 8.903  0 141 PRO A C   1 ? 
ATOM   1033 O  O   . PRO A 1 141 ? 0.771   -26.262 -24.197 1.000 9.412  0 141 PRO A O   1 ? 
ATOM   1034 C  CB  . PRO A 1 141 ? -0.142  -28.951 -25.535 1.000 9.744  0 141 PRO A CB  1 ? 
ATOM   1035 C  CG  . PRO A 1 141 ? -1.240  -27.986 -25.895 1.000 10.302 0 141 PRO A CG  1 ? 
ATOM   1036 C  CD  . PRO A 1 141 ? -2.061  -27.879 -24.639 1.000 10.275 0 141 PRO A CD  1 ? 
ATOM   1037 N  N   . ILE A 1 142 ? 2.449   -27.736 -24.005 1.000 9.042  0 142 ILE A N   1 ? 
ATOM   1038 C  CA  . ILE A 1 142 ? 3.534   -26.804 -24.215 1.000 9.059  0 142 ILE A CA  1 ? 
ATOM   1039 C  C   . ILE A 1 142 ? 3.577   -26.482 -25.690 1.000 8.980  0 142 ILE A C   1 ? 
ATOM   1040 O  O   . ILE A 1 142 ? 3.439   -27.389 -26.516 1.000 11.142 0 142 ILE A O   1 ? 
ATOM   1041 C  CB  . ILE A 1 142 ? 4.849   -27.385 -23.694 1.000 9.071  0 142 ILE A CB  1 ? 
ATOM   1042 C  CG1 . ILE A 1 142 ? 4.790   -27.617 -22.179 1.000 9.680  0 142 ILE A CG1 1 ? 
ATOM   1043 C  CG2 . ILE A 1 142 ? 5.993   -26.486 -24.106 1.000 10.033 0 142 ILE A CG2 1 ? 
ATOM   1044 C  CD1 . ILE A 1 142 ? 6.068   -28.198 -21.626 1.000 11.907 0 142 ILE A CD1 1 ? 
ATOM   1045 N  N   . LEU A 1 143 ? 3.654   -25.191 -26.016 1.000 9.233  0 143 LEU A N   1 ? 
ATOM   1046 C  CA  . LEU A 1 143 ? 3.730   -24.732 -27.412 1.000 9.434  0 143 LEU A CA  1 ? 
ATOM   1047 C  C   . LEU A 1 143 ? 5.191   -24.578 -27.838 1.000 11.488 0 143 LEU A C   1 ? 
ATOM   1048 O  O   . LEU A 1 143 ? 6.106   -24.479 -27.021 1.000 11.422 0 143 LEU A O   1 ? 
ATOM   1049 C  CB  . LEU A 1 143 ? 2.996   -23.391 -27.492 1.000 10.634 0 143 LEU A CB  1 ? 
ATOM   1050 C  CG  . LEU A 1 143 ? 1.535   -23.439 -27.066 1.000 12.058 0 143 LEU A CG  1 ? 
ATOM   1051 C  CD1 . LEU A 1 143 ? 0.879   -22.079 -27.146 1.000 14.825 0 143 LEU A CD1 1 ? 
ATOM   1052 C  CD2 . LEU A 1 143 ? 0.701   -24.428 -27.843 1.000 15.210 0 143 LEU A CD2 1 ? 
ATOM   1053 N  N   . SER A 1 144 ? 5.417   -24.600 -29.166 1.000 11.259 0 144 SER A N   1 ? 
ATOM   1054 C  CA  . SER A 1 144 ? 6.751   -24.461 -29.712 1.000 13.285 0 144 SER A CA  1 ? 
ATOM   1055 C  C   . SER A 1 144 ? 7.316   -23.089 -29.343 1.000 12.462 0 144 SER A C   1 ? 
ATOM   1056 O  O   . SER A 1 144 ? 6.593   -22.117 -29.173 1.000 13.208 0 144 SER A O   1 ? 
ATOM   1057 C  CB  . SER A 1 144 ? 6.743   -24.622 -31.211 1.000 13.803 0 144 SER A CB  1 ? 
ATOM   1058 O  OG  . SER A 1 144 ? 5.963   -23.629 -31.868 1.000 14.462 0 144 SER A OG  1 ? 
ATOM   1059 N  N   . ASP A 1 145 ? 8.629   -23.027 -29.280 1.000 15.709 0 145 ASP A N   1 ? 
ATOM   1060 C  CA  . ASP A 1 145 ? 9.339   -21.784 -29.035 1.000 18.838 0 145 ASP A CA  1 ? 
ATOM   1061 C  C   . ASP A 1 145 ? 9.001   -20.768 -30.117 1.000 16.295 0 145 ASP A C   1 ? 
ATOM   1062 O  O   . ASP A 1 145 ? 8.803   -19.576 -29.825 1.000 16.060 0 145 ASP A O   1 ? 
ATOM   1063 C  CB  . ASP A 1 145 ? 10.835  -22.098 -28.980 1.000 22.875 0 145 ASP A CB  1 ? 
ATOM   1064 C  CG  . ASP A 1 145 ? 11.181  -22.785 -27.662 1.000 31.512 0 145 ASP A CG  1 ? 
ATOM   1065 O  OD1 . ASP A 1 145 ? 10.341  -22.703 -26.698 1.000 46.278 0 145 ASP A OD1 1 ? 
ATOM   1066 O  OD2 . ASP A 1 145 ? 12.264  -23.357 -27.580 1.000 44.371 0 145 ASP A OD2 1 ? 
ATOM   1067 N  N   . SER A 1 146 ? 8.885   -21.246 -31.348 1.000 17.022 0 146 SER A N   1 ? 
ATOM   1068 C  CA  . SER A 1 146 ? 8.597   -20.351 -32.462 1.000 18.517 0 146 SER A CA  1 ? 
ATOM   1069 C  C   . SER A 1 146 ? 7.187   -19.762 -32.375 1.000 16.341 0 146 SER A C   1 ? 
ATOM   1070 O  O   . SER A 1 146 ? 6.997   -18.531 -32.563 1.000 16.151 0 146 SER A O   1 ? 
ATOM   1071 C  CB  . SER A 1 146 ? 8.910   -20.969 -33.833 1.000 21.014 0 146 SER A CB  1 ? 
ATOM   1072 O  OG  . SER A 1 146 ? 7.911   -21.871 -34.216 1.000 27.256 0 146 SER A OG  1 ? 
ATOM   1073 N  N   . SER A 1 147 ? 6.193   -20.555 -31.942 1.000 13.451 0 147 SER A N   1 ? 
ATOM   1074 C  CA  . SER A 1 147 ? 4.850   -20.027 -31.816 1.000 13.932 0 147 SER A CA  1 ? 
ATOM   1075 C  C   . SER A 1 147 ? 4.763   -19.075 -30.624 1.000 13.239 0 147 SER A C   1 ? 
ATOM   1076 O  O   . SER A 1 147 ? 4.052   -18.077 -30.667 1.000 13.576 0 147 SER A O   1 ? 
ATOM   1077 C  CB  . SER A 1 147 ? 3.799   -21.094 -31.714 1.000 17.080 0 147 SER A CB  1 ? 
ATOM   1078 O  OG  . SER A 1 147 ? 3.895   -21.771 -30.507 1.000 22.786 0 147 SER A OG  1 ? 
ATOM   1079 N  N   . CYS A 1 148 ? 5.523   -19.377 -29.568 1.000 12.176 0 148 CYS A N   1 ? 
ATOM   1080 C  CA  . CYS A 1 148 ? 5.535   -18.544 -28.379 1.000 11.377 0 148 CYS A CA  1 ? 
ATOM   1081 C  C   . CYS A 1 148 ? 6.120   -17.163 -28.694 1.000 10.777 0 148 CYS A C   1 ? 
ATOM   1082 O  O   . CYS A 1 148 ? 5.528   -16.127 -28.356 1.000 11.447 0 148 CYS A O   1 ? 
ATOM   1083 C  CB  . CYS A 1 148 ? 6.334   -19.279 -27.300 1.000 10.937 0 148 CYS A CB  1 ? 
ATOM   1084 S  SG  . CYS A 1 148 ? 6.292   -18.547 -25.647 1.000 11.253 0 148 CYS A SG  1 ? 
ATOM   1085 N  N   . LYS A 1 149 ? 7.307   -17.161 -29.340 1.000 12.154 0 149 LYS A N   1 ? 
ATOM   1086 C  CA  . LYS A 1 149 ? 7.938   -15.912 -29.744 1.000 13.229 0 149 LYS A CA  1 ? 
ATOM   1087 C  C   . LYS A 1 149 ? 7.126   -15.111 -30.769 1.000 13.968 0 149 LYS A C   1 ? 
ATOM   1088 O  O   . LYS A 1 149 ? 7.095   -13.874 -30.704 1.000 14.999 0 149 LYS A O   1 ? 
ATOM   1089 C  CB  . LYS A 1 149 ? 9.354   -16.204 -30.243 1.000 14.176 0 149 LYS A CB  1 ? 
ATOM   1090 C  CG  . LYS A 1 149 ? 10.326  -16.660 -29.170 1.000 16.796 0 149 LYS A CG  1 ? 
ATOM   1091 C  CD  . LYS A 1 149 ? 11.729  -16.880 -29.675 1.000 19.852 0 149 LYS A CD  1 ? 
ATOM   1092 C  CE  . LYS A 1 149 ? 12.691  -17.065 -28.531 1.000 26.244 0 149 LYS A CE  1 ? 
ATOM   1093 N  NZ  . LYS A 1 149 ? 13.911  -17.773 -29.001 1.000 31.693 0 149 LYS A NZ  1 ? 
ATOM   1094 N  N   . SER A 1 150 ? 6.438   -15.782 -31.687 1.000 13.016 0 150 SER A N   1 ? 
ATOM   1095 C  CA  . SER A 1 150 ? 5.579   -15.096 -32.638 1.000 14.436 0 150 SER A CA  1 ? 
ATOM   1096 C  C   . SER A 1 150 ? 4.380   -14.447 -31.953 1.000 12.273 0 150 SER A C   1 ? 
ATOM   1097 O  O   . SER A 1 150 ? 3.935   -13.381 -32.377 1.000 14.721 0 150 SER A O   1 ? 
ATOM   1098 C  CB  . SER A 1 150 ? 5.102   -16.045 -33.732 1.000 16.816 0 150 SER A CB  1 ? 
ATOM   1099 O  OG  . SER A 1 150 ? 6.263   -16.404 -34.430 1.000 24.266 0 150 SER A OG  1 ? 
ATOM   1100 N  N   . ALA A 1 151 ? 3.864   -15.073 -30.859 1.000 10.903 0 151 ALA A N   1 ? 
ATOM   1101 C  CA  . ALA A 1 151 ? 2.720   -14.566 -30.118 1.000 10.514 0 151 ALA A CA  1 ? 
ATOM   1102 C  C   . ALA A 1 151 ? 3.079   -13.310 -29.325 1.000 10.825 0 151 ALA A C   1 ? 
ATOM   1103 O  O   . ALA A 1 151 ? 2.247   -12.390 -29.202 1.000 10.944 0 151 ALA A O   1 ? 
ATOM   1104 C  CB  . ALA A 1 151 ? 2.188   -15.632 -29.180 1.000 11.645 0 151 ALA A CB  1 ? 
ATOM   1105 N  N   . TYR A 1 152 ? 4.337   -13.250 -28.844 1.000 9.824  0 152 TYR A N   1 ? 
ATOM   1106 C  CA  . TYR A 1 152 ? 4.791   -12.191 -27.959 1.000 10.494 0 152 TYR A CA  1 ? 
ATOM   1107 C  C   . TYR A 1 152 ? 6.142   -11.704 -28.436 1.000 10.645 0 152 TYR A C   1 ? 
ATOM   1108 O  O   . TYR A 1 152 ? 7.170   -11.954 -27.841 1.000 10.802 0 152 TYR A O   1 ? 
ATOM   1109 C  CB  . TYR A 1 152 ? 4.921   -12.739 -26.547 1.000 10.108 0 152 TYR A CB  1 ? 
ATOM   1110 C  CG  . TYR A 1 152 ? 3.614   -13.076 -25.863 1.000 8.993  0 152 TYR A CG  1 ? 
ATOM   1111 C  CD1 . TYR A 1 152 ? 2.809   -12.069 -25.361 1.000 9.415  0 152 TYR A CD1 1 ? 
ATOM   1112 C  CD2 . TYR A 1 152 ? 3.230   -14.398 -25.647 1.000 9.485  0 152 TYR A CD2 1 ? 
ATOM   1113 C  CE1 . TYR A 1 152 ? 1.633   -12.359 -24.701 1.000 9.884  0 152 TYR A CE1 1 ? 
ATOM   1114 C  CE2 . TYR A 1 152 ? 2.045   -14.702 -24.986 1.000 9.170  0 152 TYR A CE2 1 ? 
ATOM   1115 C  CZ  . TYR A 1 152 ? 1.244   -13.684 -24.515 1.000 9.494  0 152 TYR A CZ  1 ? 
ATOM   1116 O  OH  . TYR A 1 152 ? 0.111   -13.976 -23.806 1.000 9.543  0 152 TYR A OH  1 ? 
ATOM   1117 N  N   . PRO A 1 153 ? 6.186   -10.963 -29.569 1.000 11.354 0 153 PRO A N   1 ? 
ATOM   1118 C  CA  . PRO A 1 153 ? 7.457   -10.513 -30.131 1.000 12.521 0 153 PRO A CA  1 ? 
ATOM   1119 C  C   . PRO A 1 153 ? 8.281   -9.680  -29.162 1.000 10.205 0 153 PRO A C   1 ? 
ATOM   1120 O  O   . PRO A 1 153 ? 7.744   -8.841  -28.473 1.000 11.811 0 153 PRO A O   1 ? 
ATOM   1121 C  CB  . PRO A 1 153 ? 7.033   -9.620  -31.325 1.000 14.395 0 153 PRO A CB  1 ? 
ATOM   1122 C  CG  . PRO A 1 153 ? 5.614   -9.985  -31.627 1.000 13.369 0 153 PRO A CG  1 ? 
ATOM   1123 C  CD  . PRO A 1 153 ? 5.023   -10.614 -30.381 1.000 12.601 0 153 PRO A CD  1 ? 
ATOM   1124 N  N   . GLY A 1 154 ? 9.554   -10.054 -29.023 1.000 11.827 0 154 GLY A N   1 ? 
ATOM   1125 C  CA  . GLY A 1 154 ? 10.492  -9.309  -28.214 1.000 12.794 0 154 GLY A CA  1 ? 
ATOM   1126 C  C   . GLY A 1 154 ? 10.377  -9.526  -26.712 1.000 12.376 0 154 GLY A C   1 ? 
ATOM   1127 O  O   . GLY A 1 154 ? 10.964  -8.752  -25.974 1.000 15.346 0 154 GLY A O   1 ? 
ATOM   1128 N  N   . GLN A 1 155 ? 9.564   -10.506 -26.292 1.000 11.241 0 155 GLN A N   1 ? 
ATOM   1129 C  CA  . GLN A 1 155 ? 9.269   -10.640 -24.866 1.000 10.429 0 155 GLN A CA  1 ? 
ATOM   1130 C  C   . GLN A 1 155 ? 9.640   -11.999 -24.267 1.000 9.912  0 155 GLN A C   1 ? 
ATOM   1131 O  O   . GLN A 1 155 ? 9.618   -12.116 -23.030 1.000 11.925 0 155 GLN A O   1 ? 
ATOM   1132 C  CB  . GLN A 1 155 ? 7.783   -10.416 -24.646 1.000 10.058 0 155 GLN A CB  1 ? 
ATOM   1133 C  CG  . GLN A 1 155 ? 7.336   -9.015  -25.058 1.000 11.470 0 155 GLN A CG  1 ? 
ATOM   1134 C  CD  . GLN A 1 155 ? 5.868   -8.875  -25.343 1.000 12.944 0 155 GLN A CD  1 ? 
ATOM   1135 O  OE1 . GLN A 1 155 ? 5.069   -8.942  -24.429 1.000 16.221 0 155 GLN A OE1 1 ? 
ATOM   1136 N  NE2 . GLN A 1 155 ? 5.485   -8.780  -26.620 1.000 14.480 0 155 GLN A NE2 1 ? 
ATOM   1137 N  N   . ILE A 1 156 ? 9.851   -13.022 -25.077 1.000 9.160  0 156 ILE A N   1 ? 
ATOM   1138 C  CA  . ILE A 1 156 ? 10.056  -14.363 -24.559 1.000 9.118  0 156 ILE A CA  1 ? 
ATOM   1139 C  C   . ILE A 1 156 ? 11.560  -14.589 -24.455 1.000 10.216 0 156 ILE A C   1 ? 
ATOM   1140 O  O   . ILE A 1 156 ? 12.279  -14.640 -25.457 1.000 13.372 0 156 ILE A O   1 ? 
ATOM   1141 C  CB  . ILE A 1 156 ? 9.389   -15.380 -25.487 1.000 9.489  0 156 ILE A CB  1 ? 
ATOM   1142 C  CG1 . ILE A 1 156 ? 7.897   -15.120 -25.636 1.000 9.744  0 156 ILE A CG1 1 ? 
ATOM   1143 C  CG2 . ILE A 1 156 ? 9.645   -16.807 -25.007 1.000 9.501  0 156 ILE A CG2 1 ? 
ATOM   1144 C  CD1 . ILE A 1 156 ? 7.155   -15.107 -24.303 1.000 9.734  0 156 ILE A CD1 1 ? 
ATOM   1145 N  N   . THR A 1 157 ? 12.033  -14.806 -23.225 1.000 8.729  0 157 THR A N   1 ? 
ATOM   1146 C  CA  . THR A 1 157 ? 13.416  -15.199 -22.991 1.000 9.374  0 157 THR A CA  1 ? 
ATOM   1147 C  C   . THR A 1 157 ? 13.572  -16.716 -22.932 1.000 9.056  0 157 THR A C   1 ? 
ATOM   1148 O  O   . THR A 1 157 ? 12.606  -17.459 -22.942 1.000 10.688 0 157 THR A O   1 ? 
ATOM   1149 C  CB  . THR A 1 157 ? 13.955  -14.601 -21.680 1.000 9.723  0 157 THR A CB  1 ? 
ATOM   1150 O  OG1 . THR A 1 157 ? 13.345  -15.320 -20.597 1.000 9.918  0 157 THR A OG1 1 ? 
ATOM   1151 C  CG2 . THR A 1 157 ? 13.627  -13.123 -21.554 1.000 9.784  0 157 THR A CG2 1 ? 
ATOM   1152 N  N   . SER A 1 158 ? 14.826  -17.159 -22.826 1.000 9.843  0 158 SER A N   1 ? 
ATOM   1153 C  CA  . SER A 1 158 ? 15.149  -18.567 -22.729 1.000 10.376 0 158 SER A CA  1 ? 
ATOM   1154 C  C   . SER A 1 158 ? 14.663  -19.189 -21.415 1.000 9.727  0 158 SER A C   1 ? 
ATOM   1155 O  O   . SER A 1 158 ? 14.758  -20.410 -21.244 1.000 10.843 0 158 SER A O   1 ? 
ATOM   1156 C  CB  . SER A 1 158 ? 16.646  -18.734 -22.904 1.000 12.317 0 158 SER A CB  1 ? 
ATOM   1157 O  OG  . SER A 1 158 ? 17.376  -18.156 -21.860 1.000 17.865 0 158 SER A OG  1 ? 
ATOM   1158 N  N   . ASN A 1 159 ? 14.188  -18.340 -20.483 1.000 8.298  0 159 ASN A N   1 ? 
ATOM   1159 C  CA  . ASN A 1 159 ? 13.679  -18.757 -19.193 1.000 8.223  0 159 ASN A CA  1 ? 
ATOM   1160 C  C   . ASN A 1 159 ? 12.147  -18.830 -19.142 1.000 7.798  0 159 ASN A C   1 ? 
ATOM   1161 O  O   . ASN A 1 159 ? 11.597  -18.921 -18.055 1.000 8.089  0 159 ASN A O   1 ? 
ATOM   1162 C  CB  . ASN A 1 159 ? 14.231  -17.844 -18.108 1.000 9.061  0 159 ASN A CB  1 ? 
ATOM   1163 C  CG  . ASN A 1 159 ? 15.732  -17.868 -18.041 1.000 8.393  0 159 ASN A CG  1 ? 
ATOM   1164 O  OD1 . ASN A 1 159 ? 16.325  -18.950 -18.038 1.000 10.308 0 159 ASN A OD1 1 ? 
ATOM   1165 N  ND2 . ASN A 1 159 ? 16.323  -16.686 -18.023 1.000 9.563  0 159 ASN A ND2 1 ? 
ATOM   1166 N  N   . MET A 1 160 ? 11.506  -18.783 -20.308 1.000 7.606  0 160 MET A N   1 ? 
ATOM   1167 C  CA  . MET A 1 160 ? 10.046  -18.764 -20.416 1.000 8.155  0 160 MET A CA  1 ? 
ATOM   1168 C  C   . MET A 1 160 ? 9.627   -19.797 -21.450 1.000 8.305  0 160 MET A C   1 ? 
ATOM   1169 O  O   . MET A 1 160 ? 10.371  -20.059 -22.442 1.000 10.490 0 160 MET A O   1 ? 
ATOM   1170 C  CB  . MET A 1 160 ? 9.582   -17.386 -20.892 1.000 7.942  0 160 MET A CB  1 ? 
ATOM   1171 C  CG  . MET A 1 160 ? 9.880   -16.301 -19.909 1.000 8.668  0 160 MET A CG  1 ? 
ATOM   1172 S  SD  . MET A 1 160 ? 9.469   -14.681 -20.655 1.000 8.429  0 160 MET A SD  1 ? 
ATOM   1173 C  CE  . MET A 1 160 ? 10.270  -13.549 -19.505 1.000 9.546  0 160 MET A CE  1 ? 
ATOM   1174 N  N   . PHE A 1 161 ? 8.425   -20.365 -21.265 1.000 7.902  0 161 PHE A N   1 ? 
ATOM   1175 C  CA  . PHE A 1 161 ? 7.785   -21.081 -22.353 1.000 8.040  0 161 PHE A CA  1 ? 
ATOM   1176 C  C   . PHE A 1 161 ? 6.299   -20.786 -22.334 1.000 8.313  0 161 PHE A C   1 ? 
ATOM   1177 O  O   . PHE A 1 161 ? 5.715   -20.277 -21.350 1.000 8.384  0 161 PHE A O   1 ? 
ATOM   1178 C  CB  . PHE A 1 161 ? 8.017   -22.582 -22.247 1.000 8.253  0 161 PHE A CB  1 ? 
ATOM   1179 C  CG  . PHE A 1 161 ? 7.381   -23.263 -21.057 1.000 9.048  0 161 PHE A CG  1 ? 
ATOM   1180 C  CD1 . PHE A 1 161 ? 6.109   -23.816 -21.145 1.000 10.232 0 161 PHE A CD1 1 ? 
ATOM   1181 C  CD2 . PHE A 1 161 ? 8.058   -23.407 -19.853 1.000 10.112 0 161 PHE A CD2 1 ? 
ATOM   1182 C  CE1 . PHE A 1 161 ? 5.535   -24.501 -20.091 1.000 10.531 0 161 PHE A CE1 1 ? 
ATOM   1183 C  CE2 . PHE A 1 161 ? 7.482   -24.105 -18.787 1.000 9.666  0 161 PHE A CE2 1 ? 
ATOM   1184 C  CZ  . PHE A 1 161 ? 6.229   -24.656 -18.905 1.000 9.481  0 161 PHE A CZ  1 ? 
ATOM   1185 N  N   . CYS A 1 162 ? 5.678   -21.067 -23.461 1.000 8.439  0 162 CYS A N   1 ? 
ATOM   1186 C  CA  . CYS A 1 162 ? 4.248   -20.837 -23.589 1.000 8.296  0 162 CYS A CA  1 ? 
ATOM   1187 C  C   . CYS A 1 162 ? 3.546   -22.195 -23.498 1.000 8.787  0 162 CYS A C   1 ? 
ATOM   1188 O  O   . CYS A 1 162 ? 4.030   -23.214 -23.976 1.000 8.320  0 162 CYS A O   1 ? 
ATOM   1189 C  CB  . CYS A 1 162 ? 3.916   -20.250 -24.964 1.000 8.941  0 162 CYS A CB  1 ? 
ATOM   1190 S  SG  . CYS A 1 162 ? 4.352   -18.509 -25.183 1.000 9.975  0 162 CYS A SG  1 ? 
ATOM   1191 N  N   . ALA A 1 163 ? 2.363   -22.200 -22.922 1.000 7.907  0 163 ALA A N   1 ? 
ATOM   1192 C  CA  . ALA A 1 163 ? 1.495   -23.375 -22.911 1.000 7.971  0 163 ALA A CA  1 ? 
ATOM   1193 C  C   . ALA A 1 163 ? 0.062   -22.898 -22.996 1.000 7.950  0 163 ALA A C   1 ? 
ATOM   1194 O  O   . ALA A 1 163 ? -0.269  -21.811 -22.538 1.000 8.768  0 163 ALA A O   1 ? 
ATOM   1195 C  CB  . ALA A 1 163 ? 1.684   -24.232 -21.687 1.000 8.591  0 163 ALA A CB  1 ? 
ATOM   1196 N  N   . GLY A 1 164 ? -0.786  -23.714 -23.622 1.000 7.990  0 164 GLY A N   1 ? 
ATOM   1197 C  CA  . GLY A 1 164 ? -2.188  -23.425 -23.768 1.000 7.980  0 164 GLY A CA  1 ? 
ATOM   1198 C  C   . GLY A 1 164 ? -2.659  -23.619 -25.206 1.000 9.104  0 164 GLY A C   1 ? 
ATOM   1199 O  O   . GLY A 1 164 ? -2.270  -24.580 -25.860 1.000 10.339 0 164 GLY A O   1 ? 
ATOM   1200 N  N   . TYR A 1 165 ? -3.539  -22.709 -25.635 1.000 9.779  0 165 TYR A N   1 ? 
ATOM   1201 C  CA  . TYR A 1 165 ? -4.282  -22.882 -26.882 1.000 10.909 0 165 TYR A CA  1 ? 
ATOM   1202 C  C   . TYR A 1 165 ? -4.321  -21.537 -27.585 1.000 11.518 0 165 TYR A C   1 ? 
ATOM   1203 O  O   . TYR A 1 165 ? -4.855  -20.588 -27.041 1.000 13.540 0 165 TYR A O   1 ? 
ATOM   1204 C  CB  . TYR A 1 165 ? -5.683  -23.353 -26.513 1.000 11.341 0 165 TYR A CB  1 ? 
ATOM   1205 C  CG  . TYR A 1 165 ? -5.700  -24.695 -25.798 1.000 11.678 0 165 TYR A CG  1 ? 
ATOM   1206 C  CD1 . TYR A 1 165 ? -5.683  -25.889 -26.492 1.000 13.818 0 165 TYR A CD1 1 ? 
ATOM   1207 C  CD2 . TYR A 1 165 ? -5.635  -24.747 -24.423 1.000 11.938 0 165 TYR A CD2 1 ? 
ATOM   1208 C  CE1 . TYR A 1 165 ? -5.709  -27.113 -25.837 1.000 13.284 0 165 TYR A CE1 1 ? 
ATOM   1209 C  CE2 . TYR A 1 165 ? -5.661  -25.962 -23.756 1.000 11.941 0 165 TYR A CE2 1 ? 
ATOM   1210 C  CZ  . TYR A 1 165 ? -5.683  -27.157 -24.464 1.000 12.267 0 165 TYR A CZ  1 ? 
ATOM   1211 O  OH  . TYR A 1 165 ? -5.675  -28.407 -23.902 1.000 14.738 0 165 TYR A OH  1 ? 
ATOM   1212 N  N   . LEU A 1 166 ? -3.848  -21.510 -28.820 1.000 12.413 0 166 LEU A N   1 ? 
ATOM   1213 C  CA  . LEU A 1 166 ? -3.833  -20.246 -29.555 1.000 13.140 0 166 LEU A CA  1 ? 
ATOM   1214 C  C   . LEU A 1 166 ? -5.240  -19.784 -29.945 1.000 13.351 0 166 LEU A C   1 ? 
ATOM   1215 O  O   . LEU A 1 166 ? -5.456  -18.575 -30.113 1.000 14.661 0 166 LEU A O   1 ? 
ATOM   1216 C  CB  . LEU A 1 166 ? -2.957  -20.399 -30.783 1.000 14.571 0 166 LEU A CB  1 ? 
ATOM   1217 C  CG  . LEU A 1 166 ? -1.476  -20.640 -30.538 1.000 14.946 0 166 LEU A CG  1 ? 
ATOM   1218 C  CD1 . LEU A 1 166 ? -0.777  -20.838 -31.861 1.000 18.355 0 166 LEU A CD1 1 ? 
ATOM   1219 C  CD2 . LEU A 1 166 ? -0.839  -19.521 -29.751 1.000 15.374 0 166 LEU A CD2 1 ? 
ATOM   1220 N  N   . GLU A 1 167 ? -6.214  -20.691 -29.986 1.000 13.444 0 167 GLU A N   1 ? 
ATOM   1221 C  CA  . GLU A 1 167 ? -7.578  -20.315 -30.305 1.000 15.976 0 167 GLU A CA  1 ? 
ATOM   1222 C  C   . GLU A 1 167 ? -8.265  -19.505 -29.206 1.000 15.671 0 167 GLU A C   1 ? 
ATOM   1223 O  O   . GLU A 1 167 ? -9.311  -18.918 -29.457 1.000 19.525 0 167 GLU A O   1 ? 
ATOM   1224 C  CB  . GLU A 1 167 ? -8.456  -21.514 -30.663 1.000 19.611 0 167 GLU A CB  1 ? 
ATOM   1225 C  CG  . GLU A 1 167 ? -8.535  -22.564 -29.575 1.000 23.340 0 167 GLU A CG  1 ? 
ATOM   1226 C  CD  . GLU A 1 167 ? -7.535  -23.711 -29.665 1.000 23.369 0 167 GLU A CD  1 ? 
ATOM   1227 O  OE1 . GLU A 1 167 ? -7.996  -24.879 -29.339 1.000 29.272 0 167 GLU A OE1 1 ? 
ATOM   1228 O  OE2 . GLU A 1 167 ? -6.301  -23.506 -30.056 1.000 20.727 0 167 GLU A OE2 1 ? 
ATOM   1229 N  N   . GLY A 1 168 ? -7.731  -19.506 -27.979 1.000 14.744 0 168 GLY A N   1 ? 
ATOM   1230 C  CA  . GLY A 1 168 ? -8.352  -18.815 -26.874 1.000 15.665 0 168 GLY A CA  1 ? 
ATOM   1231 C  C   . GLY A 1 168 ? -9.283  -19.736 -26.083 1.000 14.344 0 168 GLY A C   1 ? 
ATOM   1232 O  O   . GLY A 1 168 ? -9.519  -20.898 -26.474 1.000 16.854 0 168 GLY A O   1 ? 
ATOM   1233 N  N   . GLY A 1 169 ? -9.757  -19.190 -24.963 1.000 12.709 0 169 GLY A N   1 ? 
ATOM   1234 C  CA  . GLY A 1 169 ? -10.810 -19.819 -24.162 1.000 11.521 0 169 GLY A CA  1 ? 
ATOM   1235 C  C   . GLY A 1 169 ? -10.322 -20.648 -22.980 1.000 10.977 0 169 GLY A C   1 ? 
ATOM   1236 O  O   . GLY A 1 169 ? -11.115 -20.970 -22.108 1.000 12.956 0 169 GLY A O   1 ? 
ATOM   1237 N  N   . LYS A 1 170 ? -9.045  -21.055 -22.992 1.000 10.285 0 170 LYS A N   1 ? 
ATOM   1238 C  CA  . LYS A 1 170 ? -8.514  -21.930 -21.944 1.000 9.655  0 170 LYS A CA  1 ? 
ATOM   1239 C  C   . LYS A 1 170 ? -7.119  -21.427 -21.553 1.000 9.612  0 170 LYS A C   1 ? 
ATOM   1240 O  O   . LYS A 1 170 ? -6.197  -21.416 -22.383 1.000 10.080 0 170 LYS A O   1 ? 
ATOM   1241 C  CB  . LYS A 1 170 ? -8.396  -23.358 -22.475 1.000 12.117 0 170 LYS A CB  1 ? 
ATOM   1242 C  CG  . LYS A 1 170 ? -9.743  -24.025 -22.636 1.000 14.378 0 170 LYS A CG  1 ? 
ATOM   1243 C  CD  . LYS A 1 170 ? -9.619  -25.441 -23.132 1.000 18.204 0 170 LYS A CD  1 ? 
ATOM   1244 C  CE  . LYS A 1 170 ? -9.367  -25.545 -24.612 1.000 27.170 0 170 LYS A CE  1 ? 
ATOM   1245 N  NZ  . LYS A 1 170 ? -9.514  -26.962 -25.045 1.000 34.865 0 170 LYS A NZ  1 ? 
ATOM   1246 N  N   . ASP A 1 171 ? -6.948  -21.039 -20.286 1.000 7.849  0 171 ASP A N   1 ? 
ATOM   1247 C  CA  . ASP A 1 171 ? -5.675  -20.430 -19.897 1.000 7.426  0 171 ASP A CA  1 ? 
ATOM   1248 C  C   . ASP A 1 171 ? -5.646  -20.323 -18.368 1.000 6.840  0 171 ASP A C   1 ? 
ATOM   1249 O  O   . ASP A 1 171 ? -6.673  -20.464 -17.687 1.000 8.319  0 171 ASP A O   1 ? 
ATOM   1250 C  CB  . ASP A 1 171 ? -5.578  -19.006 -20.495 1.000 7.275  0 171 ASP A CB  1 ? 
ATOM   1251 C  CG  . ASP A 1 171 ? -4.213  -18.318 -20.504 1.000 7.622  0 171 ASP A CG  1 ? 
ATOM   1252 O  OD1 . ASP A 1 171 ? -3.187  -18.942 -20.107 1.000 8.294  0 171 ASP A OD1 1 ? 
ATOM   1253 O  OD2 . ASP A 1 171 ? -4.209  -17.124 -20.889 1.000 7.937  0 171 ASP A OD2 1 ? 
ATOM   1254 N  N   . SER A 1 172 ? -4.480  -20.060 -17.778 1.000 7.088  0 172 SER A N   1 ? 
ATOM   1255 C  CA  . SER A 1 172 ? -4.411  -19.547 -16.417 1.000 7.125  0 172 SER A CA  1 ? 
ATOM   1256 C  C   . SER A 1 172 ? -4.717  -18.038 -16.393 1.000 7.807  0 172 SER A C   1 ? 
ATOM   1257 O  O   . SER A 1 172 ? -4.857  -17.417 -17.447 1.000 7.726  0 172 SER A O   1 ? 
ATOM   1258 C  CB  . SER A 1 172 ? -3.038  -19.878 -15.789 1.000 7.930  0 172 SER A CB  1 ? 
ATOM   1259 O  OG  . SER A 1 172 ? -1.936  -19.390 -16.576 1.000 7.544  0 172 SER A OG  1 ? 
ATOM   1260 N  N   . CYS A 1 173 ? -4.792  -17.457 -15.193 1.000 6.844  0 173 CYS A N   1 ? 
ATOM   1261 C  CA  . CYS A 1 173 ? -5.231  -16.065 -15.098 1.000 8.359  0 173 CYS A CA  1 ? 
ATOM   1262 C  C   . CYS A 1 173 ? -4.761  -15.485 -13.770 1.000 9.043  0 173 CYS A C   1 ? 
ATOM   1263 O  O   . CYS A 1 173 ? -4.135  -16.140 -12.970 1.000 8.961  0 173 CYS A O   1 ? 
ATOM   1264 C  CB  . CYS A 1 173 ? -6.753  -16.030 -15.320 1.000 8.590  0 173 CYS A CB  1 ? 
ATOM   1265 S  SG  . CYS A 1 173 ? -7.429  -14.387 -15.745 1.000 9.858  0 173 CYS A SG  1 ? 
ATOM   1266 N  N   . GLN A 1 174 ? -5.091  -14.210 -13.542 1.000 10.535 0 174 GLN A N   1 ? 
ATOM   1267 C  CA  . GLN A 1 174 ? -4.796  -13.537 -12.291 1.000 11.892 0 174 GLN A CA  1 ? 
ATOM   1268 C  C   . GLN A 1 174 ? -5.216  -14.404 -11.111 1.000 10.352 0 174 GLN A C   1 ? 
ATOM   1269 O  O   . GLN A 1 174 ? -6.335  -14.884 -11.065 1.000 11.607 0 174 GLN A O   1 ? 
ATOM   1270 C  CB  . GLN A 1 174 ? -5.585  -12.231 -12.257 1.000 15.661 0 174 GLN A CB  1 ? 
ATOM   1271 C  CG  . GLN A 1 174 ? -4.771  -11.113 -11.630 1.000 27.960 0 174 GLN A CG  1 ? 
ATOM   1272 C  CD  . GLN A 1 174 ? -5.098  -10.746 -10.207 1.000 38.825 0 174 GLN A CD  1 ? 
ATOM   1273 O  OE1 . GLN A 1 174 ? -4.521  -9.789  -9.675  1.000 48.859 0 174 GLN A OE1 1 ? 
ATOM   1274 N  NE2 . GLN A 1 174 ? -6.007  -11.488 -9.577  1.000 48.077 0 174 GLN A NE2 1 ? 
ATOM   1275 N  N   . GLY A 1 175 ? -4.340  -14.532 -10.147 1.000 8.271  0 175 GLY A N   1 ? 
ATOM   1276 C  CA  . GLY A 1 175 ? -4.601  -15.315 -8.960  1.000 8.093  0 175 GLY A CA  1 ? 
ATOM   1277 C  C   . GLY A 1 175 ? -4.063  -16.744 -9.081  1.000 7.290  0 175 GLY A C   1 ? 
ATOM   1278 O  O   . GLY A 1 175 ? -3.899  -17.418 -8.058  1.000 7.722  0 175 GLY A O   1 ? 
ATOM   1279 N  N   . ASP A 1 176 ? -3.749  -17.197 -10.297 1.000 7.169  0 176 ASP A N   1 ? 
ATOM   1280 C  CA  . ASP A 1 176 ? -3.082  -18.481 -10.507 1.000 6.624  0 176 ASP A CA  1 ? 
ATOM   1281 C  C   . ASP A 1 176 ? -1.558  -18.310 -10.418 1.000 6.522  0 176 ASP A C   1 ? 
ATOM   1282 O  O   . ASP A 1 176 ? -0.841  -19.331 -10.336 1.000 6.326  0 176 ASP A O   1 ? 
ATOM   1283 C  CB  . ASP A 1 176 ? -3.438  -19.095 -11.879 1.000 6.380  0 176 ASP A CB  1 ? 
ATOM   1284 C  CG  . ASP A 1 176 ? -4.900  -19.462 -11.991 1.000 6.809  0 176 ASP A CG  1 ? 
ATOM   1285 O  OD1 . ASP A 1 176 ? -5.430  -20.023 -10.978 1.000 6.924  0 176 ASP A OD1 1 ? 
ATOM   1286 O  OD2 . ASP A 1 176 ? -5.478  -19.247 -13.094 1.000 7.601  0 176 ASP A OD2 1 ? 
ATOM   1287 N  N   . SER A 1 177 ? -1.088  -17.067 -10.507 1.000 6.635  0 177 SER A N   1 ? 
ATOM   1288 C  CA  . SER A 1 177 ? 0.357   -16.784 -10.560 1.000 6.379  0 177 SER A CA  1 ? 
ATOM   1289 C  C   . SER A 1 177 ? 1.110   -17.518 -9.472  1.000 6.231  0 177 SER A C   1 ? 
ATOM   1290 O  O   . SER A 1 177 ? 0.649   -17.585 -8.342  1.000 6.461  0 177 SER A O   1 ? 
ATOM   1291 C  CB  . SER A 1 177 ? 0.634   -15.305 -10.389 1.000 7.759  0 177 SER A CB  1 ? 
ATOM   1292 O  OG  . SER A 1 177 ? 0.197   -14.625 -11.565 1.000 10.182 0 177 SER A OG  1 ? 
ATOM   1293 N  N   . GLY A 1 178 ? 2.278   -18.049 -9.807  1.000 5.734  0 178 GLY A N   1 ? 
ATOM   1294 C  CA  . GLY A 1 178 ? 3.115   -18.751 -8.843  1.000 5.887  0 178 GLY A CA  1 ? 
ATOM   1295 C  C   . GLY A 1 178 ? 2.783   -20.241 -8.753  1.000 6.027  0 178 GLY A C   1 ? 
ATOM   1296 O  O   . GLY A 1 178 ? 3.573   -21.030 -8.236  1.000 7.068  0 178 GLY A O   1 ? 
ATOM   1297 N  N   . GLY A 1 179 ? 1.625   -20.651 -9.290  1.000 6.307  0 179 GLY A N   1 ? 
ATOM   1298 C  CA  . GLY A 1 179 ? 1.251   -22.047 -9.217  1.000 6.136  0 179 GLY A CA  1 ? 
ATOM   1299 C  C   . GLY A 1 179 ? 1.910   -22.923 -10.263 1.000 6.625  0 179 GLY A C   1 ? 
ATOM   1300 O  O   . GLY A 1 179 ? 2.700   -22.510 -11.106 1.000 7.075  0 179 GLY A O   1 ? 
ATOM   1301 N  N   . PRO A 1 180 ? 1.596   -24.224 -10.166 1.000 7.052  0 180 PRO A N   1 ? 
ATOM   1302 C  CA  . PRO A 1 180 ? 2.323   -25.248 -10.923 1.000 7.507  0 180 PRO A CA  1 ? 
ATOM   1303 C  C   . PRO A 1 180 ? 1.856   -25.469 -12.342 1.000 7.298  0 180 PRO A C   1 ? 
ATOM   1304 O  O   . PRO A 1 180 ? 0.670   -25.442 -12.634 1.000 7.300  0 180 PRO A O   1 ? 
ATOM   1305 C  CB  . PRO A 1 180 ? 2.064   -26.502 -10.122 1.000 8.066  0 180 PRO A CB  1 ? 
ATOM   1306 C  CG  . PRO A 1 180 ? 0.710   -26.254 -9.494  1.000 7.615  0 180 PRO A CG  1 ? 
ATOM   1307 C  CD  . PRO A 1 180 ? 0.648   -24.784 -9.204  1.000 7.596  0 180 PRO A CD  1 ? 
ATOM   1308 N  N   . VAL A 1 181 ? 2.819   -25.914 -13.148 1.000 6.768  0 181 VAL A N   1 ? 
ATOM   1309 C  CA  . VAL A 1 181 ? 2.610   -26.579 -14.426 1.000 6.796  0 181 VAL A CA  1 ? 
ATOM   1310 C  C   . VAL A 1 181 ? 3.351   -27.905 -14.311 1.000 6.706  0 181 VAL A C   1 ? 
ATOM   1311 O  O   . VAL A 1 181 ? 4.581   -27.878 -14.258 1.000 7.334  0 181 VAL A O   1 ? 
ATOM   1312 C  CB  . VAL A 1 181 ? 3.149   -25.792 -15.634 1.000 7.142  0 181 VAL A CB  1 ? 
ATOM   1313 C  CG1 . VAL A 1 181 ? 2.905   -26.507 -16.968 1.000 7.362  0 181 VAL A CG1 1 ? 
ATOM   1314 C  CG2 . VAL A 1 181 ? 2.639   -24.352 -15.611 1.000 7.908  0 181 VAL A CG2 1 ? 
ATOM   1315 N  N   . VAL A 1 182 ? 2.634   -29.006 -14.236 1.000 6.707  0 182 VAL A N   1 ? 
ATOM   1316 C  CA  . VAL A 1 182 ? 3.217   -30.327 -13.994 1.000 7.098  0 182 VAL A CA  1 ? 
ATOM   1317 C  C   . VAL A 1 182 ? 3.023   -31.172 -15.247 1.000 7.005  0 182 VAL A C   1 ? 
ATOM   1318 O  O   . VAL A 1 182 ? 1.920   -31.294 -15.763 1.000 8.000  0 182 VAL A O   1 ? 
ATOM   1319 C  CB  . VAL A 1 182 ? 2.617   -30.966 -12.731 1.000 7.654  0 182 VAL A CB  1 ? 
ATOM   1320 C  CG1 . VAL A 1 182 ? 2.964   -32.454 -12.614 1.000 8.949  0 182 VAL A CG1 1 ? 
ATOM   1321 C  CG2 . VAL A 1 182 ? 3.086   -30.207 -11.489 1.000 8.308  0 182 VAL A CG2 1 ? 
ATOM   1322 N  N   . CYS A 1 183 ? 4.103   -31.831 -15.707 1.000 7.719  0 183 CYS A N   1 ? 
ATOM   1323 C  CA  . CYS A 1 183 ? 4.086   -32.621 -16.925 1.000 8.795  0 183 CYS A CA  1 ? 
ATOM   1324 C  C   . CYS A 1 183 ? 4.771   -33.954 -16.609 1.000 9.031  0 183 CYS A C   1 ? 
ATOM   1325 O  O   . CYS A 1 183 ? 5.898   -33.946 -16.176 1.000 10.014 0 183 CYS A O   1 ? 
ATOM   1326 C  CB  . CYS A 1 183 ? 4.781   -31.908 -18.072 1.000 9.129  0 183 CYS A CB  1 ? 
ATOM   1327 S  SG  . CYS A 1 183 ? 4.594   -30.111 -18.111 1.000 10.105 0 183 CYS A SG  1 ? 
ATOM   1328 N  N   . SER A 1 184 ? 4.016   -35.064 -16.738 1.000 11.589 0 184 SER A N   1 ? 
ATOM   1329 C  CA  . SER A 1 184 ? 4.568   -36.391 -16.456 1.000 11.695 0 184 SER A CA  1 ? 
ATOM   1330 C  C   . SER A 1 184 ? 5.175   -36.455 -15.052 1.000 10.459 0 184 SER A C   1 ? 
ATOM   1331 O  O   . SER A 1 184 ? 6.224   -37.039 -14.854 1.000 12.521 0 184 SER A O   1 ? 
ATOM   1332 C  CB  . SER A 1 184 ? 5.583   -36.724 -17.487 1.000 14.567 0 184 SER A CB  1 ? 
ATOM   1333 O  OG  . SER A 1 184 ? 4.973   -36.723 -18.770 1.000 17.013 0 184 SER A OG  1 ? 
ATOM   1334 N  N   . GLY A 1 185 ? 4.541   -35.806 -14.072 1.000 10.328 0 185 GLY A N   1 ? 
ATOM   1335 C  CA  . GLY A 1 185 ? 4.895   -35.936 -12.670 1.000 10.453 0 185 GLY A CA  1 ? 
ATOM   1336 C  C   . GLY A 1 185 ? 6.073   -35.060 -12.270 1.000 10.656 0 185 GLY A C   1 ? 
ATOM   1337 O  O   . GLY A 1 185 ? 6.608   -35.214 -11.186 1.000 12.423 0 185 GLY A O   1 ? 
ATOM   1338 N  N   . LYS A 1 186 ? 6.443   -34.083 -13.112 1.000 9.947  0 186 LYS A N   1 ? 
ATOM   1339 C  CA  . LYS A 1 186 ? 7.572   -33.192 -12.830 1.000 10.423 0 186 LYS A CA  1 ? 
ATOM   1340 C  C   . LYS A 1 186 ? 7.073   -31.747 -12.925 1.000 8.891  0 186 LYS A C   1 ? 
ATOM   1341 O  O   . LYS A 1 186 ? 6.321   -31.398 -13.832 1.000 8.815  0 186 LYS A O   1 ? 
ATOM   1342 C  CB  . LYS A 1 186 ? 8.719   -33.362 -13.833 1.000 13.069 0 186 LYS A CB  1 ? 
ATOM   1343 C  CG  . LYS A 1 186 ? 9.245   -34.781 -14.011 1.000 15.517 0 186 LYS A CG  1 ? 
ATOM   1344 C  CD  . LYS A 1 186 ? 9.728   -35.382 -12.765 1.000 16.293 0 186 LYS A CD  1 ? 
ATOM   1345 C  CE  . LYS A 1 186 ? 10.381  -36.741 -13.060 1.000 20.770 0 186 LYS A CE  1 ? 
ATOM   1346 N  NZ  . LYS A 1 186 ? 10.879  -37.384 -11.822 1.000 24.443 0 186 LYS A NZ  1 ? 
ATOM   1347 N  N   . LEU A 1 187 ? 7.593   -30.883 -12.058 1.000 8.186  0 187 LEU A N   1 ? 
ATOM   1348 C  CA  . LEU A 1 187 ? 7.270   -29.459 -12.092 1.000 8.426  0 187 LEU A CA  1 ? 
ATOM   1349 C  C   . LEU A 1 187 ? 8.078   -28.758 -13.177 1.000 8.065  0 187 LEU A C   1 ? 
ATOM   1350 O  O   . LEU A 1 187 ? 9.279   -28.537 -13.008 1.000 11.556 0 187 LEU A O   1 ? 
ATOM   1351 C  CB  . LEU A 1 187 ? 7.492   -28.884 -10.704 1.000 8.203  0 187 LEU A CB  1 ? 
ATOM   1352 C  CG  . LEU A 1 187 ? 7.198   -27.373 -10.615 1.000 9.265  0 187 LEU A CG  1 ? 
ATOM   1353 C  CD1 . LEU A 1 187 ? 5.717   -27.149 -10.705 1.000 10.010 0 187 LEU A CD1 1 ? 
ATOM   1354 C  CD2 . LEU A 1 187 ? 7.711   -26.808 -9.314  1.000 10.063 0 187 LEU A CD2 1 ? 
ATOM   1355 N  N   . GLN A 1 188 ? 7.440   -28.462 -14.295 1.000 8.001  0 188 GLN A N   1 ? 
ATOM   1356 C  CA  . GLN A 1 188 ? 8.147   -27.866 -15.397 1.000 8.473  0 188 GLN A CA  1 ? 
ATOM   1357 C  C   . GLN A 1 188 ? 7.937   -26.363 -15.528 1.000 7.792  0 188 GLN A C   1 ? 
ATOM   1358 O  O   . GLN A 1 188 ? 8.751   -25.679 -16.147 1.000 8.026  0 188 GLN A O   1 ? 
ATOM   1359 C  CB  . GLN A 1 188 ? 7.774   -28.503 -16.724 1.000 8.842  0 188 GLN A CB  1 ? 
ATOM   1360 C  CG  . GLN A 1 188 ? 8.246   -29.957 -16.917 1.000 9.596  0 188 GLN A CG  1 ? 
ATOM   1361 C  CD  . GLN A 1 188 ? 9.744   -30.135 -17.109 1.000 11.384 0 188 GLN A CD  1 ? 
ATOM   1362 O  OE1 . GLN A 1 188 ? 10.613  -29.241 -17.039 1.000 12.394 0 188 GLN A OE1 1 ? 
ATOM   1363 N  NE2 . GLN A 1 188 ? 10.124  -31.405 -17.271 1.000 10.437 0 188 GLN A NE2 1 ? 
ATOM   1364 N  N   . GLY A 1 189 ? 6.841   -25.852 -14.933 1.000 7.817  0 189 GLY A N   1 ? 
ATOM   1365 C  CA  . GLY A 1 189 ? 6.563   -24.442 -15.099 1.000 7.269  0 189 GLY A CA  1 ? 
ATOM   1366 C  C   . GLY A 1 189 ? 5.973   -23.816 -13.855 1.000 7.062  0 189 GLY A C   1 ? 
ATOM   1367 O  O   . GLY A 1 189 ? 5.409   -24.474 -12.992 1.000 7.495  0 189 GLY A O   1 ? 
ATOM   1368 N  N   . ILE A 1 190 ? 6.040   -22.492 -13.848 1.000 6.814  0 190 ILE A N   1 ? 
ATOM   1369 C  CA  . ILE A 1 190 ? 5.392   -21.670 -12.831 1.000 6.852  0 190 ILE A CA  1 ? 
ATOM   1370 C  C   . ILE A 1 190 ? 4.508   -20.643 -13.568 1.000 6.168  0 190 ILE A C   1 ? 
ATOM   1371 O  O   . ILE A 1 190 ? 4.973   -19.998 -14.497 1.000 6.831  0 190 ILE A O   1 ? 
ATOM   1372 C  CB  . ILE A 1 190 ? 6.451   -20.919 -12.005 1.000 7.502  0 190 ILE A CB  1 ? 
ATOM   1373 C  CG1 . ILE A 1 190 ? 7.368   -21.887 -11.262 1.000 9.707  0 190 ILE A CG1 1 ? 
ATOM   1374 C  CG2 . ILE A 1 190 ? 5.806   -19.985 -11.002 1.000 7.074  0 190 ILE A CG2 1 ? 
ATOM   1375 C  CD1 . ILE A 1 190 ? 8.601   -21.275 -10.803 1.000 11.047 0 190 ILE A CD1 1 ? 
ATOM   1376 N  N   . VAL A 1 191 ? 3.243   -20.496 -13.178 1.000 6.210  0 191 VAL A N   1 ? 
ATOM   1377 C  CA  . VAL A 1 191 ? 2.365   -19.511 -13.802 1.000 6.366  0 191 VAL A CA  1 ? 
ATOM   1378 C  C   . VAL A 1 191 ? 2.949   -18.119 -13.617 1.000 6.580  0 191 VAL A C   1 ? 
ATOM   1379 O  O   . VAL A 1 191 ? 3.179   -17.665 -12.500 1.000 6.994  0 191 VAL A O   1 ? 
ATOM   1380 C  CB  . VAL A 1 191 ? 0.982   -19.574 -13.162 1.000 6.120  0 191 VAL A CB  1 ? 
ATOM   1381 C  CG1 . VAL A 1 191 ? 0.045   -18.511 -13.744 1.000 6.244  0 191 VAL A CG1 1 ? 
ATOM   1382 C  CG2 . VAL A 1 191 ? 0.314   -20.949 -13.181 1.000 6.256  0 191 VAL A CG2 1 ? 
ATOM   1383 N  N   . SER A 1 192 ? 3.241   -17.432 -14.748 1.000 6.016  0 192 SER A N   1 ? 
ATOM   1384 C  CA  . SER A 1 192 ? 3.975   -16.186 -14.745 1.000 6.380  0 192 SER A CA  1 ? 
ATOM   1385 C  C   . SER A 1 192 ? 3.158   -15.025 -15.306 1.000 6.629  0 192 SER A C   1 ? 
ATOM   1386 O  O   . SER A 1 192 ? 2.820   -14.102 -14.578 1.000 8.639  0 192 SER A O   1 ? 
ATOM   1387 C  CB  . SER A 1 192 ? 5.349   -16.357 -15.364 1.000 6.932  0 192 SER A CB  1 ? 
ATOM   1388 O  OG  . SER A 1 192 ? 6.098   -15.143 -15.265 1.000 6.742  0 192 SER A OG  1 ? 
ATOM   1389 N  N   . TRP A 1 193 ? 2.878   -15.037 -16.609 1.000 6.444  0 193 TRP A N   1 ? 
ATOM   1390 C  CA  . TRP A 1 193 ? 2.239   -13.872 -17.211 1.000 6.743  0 193 TRP A CA  1 ? 
ATOM   1391 C  C   . TRP A 1 193 ? 1.515   -14.208 -18.512 1.000 7.178  0 193 TRP A C   1 ? 
ATOM   1392 O  O   . TRP A 1 193 ? 1.554   -15.330 -18.956 1.000 7.502  0 193 TRP A O   1 ? 
ATOM   1393 C  CB  . TRP A 1 193 ? 3.251   -12.738 -17.397 1.000 6.617  0 193 TRP A CB  1 ? 
ATOM   1394 C  CG  . TRP A 1 193 ? 4.355   -12.944 -18.382 1.000 6.975  0 193 TRP A CG  1 ? 
ATOM   1395 C  CD1 . TRP A 1 193 ? 5.547   -13.554 -18.139 1.000 7.121  0 193 TRP A CD1 1 ? 
ATOM   1396 C  CD2 . TRP A 1 193 ? 4.406   -12.561 -19.761 1.000 7.752  0 193 TRP A CD2 1 ? 
ATOM   1397 N  NE1 . TRP A 1 193 ? 6.345   -13.552 -19.257 1.000 7.890  0 193 TRP A NE1 1 ? 
ATOM   1398 C  CE2 . TRP A 1 193 ? 5.672   -12.936 -20.258 1.000 7.923  0 193 TRP A CE2 1 ? 
ATOM   1399 C  CE3 . TRP A 1 193 ? 3.544   -11.835 -20.584 1.000 8.694  0 193 TRP A CE3 1 ? 
ATOM   1400 C  CZ2 . TRP A 1 193 ? 6.068   -12.668 -21.566 1.000 8.557  0 193 TRP A CZ2 1 ? 
ATOM   1401 C  CZ3 . TRP A 1 193 ? 3.917   -11.616 -21.884 1.000 9.353  0 193 TRP A CZ3 1 ? 
ATOM   1402 C  CH2 . TRP A 1 193 ? 5.164   -11.992 -22.347 1.000 8.840  0 193 TRP A CH2 1 ? 
ATOM   1403 N  N   . GLY A 1 194 ? 0.802   -13.197 -19.032 1.000 7.751  0 194 GLY A N   1 ? 
ATOM   1404 C  CA  . GLY A 1 194 ? 0.157   -13.323 -20.336 1.000 9.060  0 194 GLY A CA  1 ? 
ATOM   1405 C  C   . GLY A 1 194 ? -0.614  -12.046 -20.613 1.000 9.969  0 194 GLY A C   1 ? 
ATOM   1406 O  O   . GLY A 1 194 ? -0.754  -11.247 -19.696 1.000 12.559 0 194 GLY A O   1 ? 
ATOM   1407 N  N   . SER A 1 195 ? -1.038  -11.836 -21.864 1.000 9.194  0 195 SER A N   1 ? 
ATOM   1408 C  CA  . SER A 1 195 ? -1.840  -10.647 -22.161 1.000 10.250 0 195 SER A CA  1 ? 
ATOM   1409 C  C   . SER A 1 195 ? -3.307  -10.930 -21.913 1.000 9.450  0 195 SER A C   1 ? 
ATOM   1410 O  O   . SER A 1 195 ? -3.903  -11.726 -22.653 1.000 10.377 0 195 SER A O   1 ? 
ATOM   1411 C  CB  . SER A 1 195 ? -1.594  -10.247 -23.583 1.000 12.410 0 195 SER A CB  1 ? 
ATOM   1412 O  OG  . SER A 1 195 ? -2.519  -9.215  -23.884 1.000 18.642 0 195 SER A OG  1 ? 
ATOM   1413 N  N   . GLY A 1 196 ? -3.868  -10.361 -20.858 1.000 8.727  0 196 GLY A N   1 ? 
ATOM   1414 C  CA  . GLY A 1 196 ? -5.214  -10.747 -20.473 1.000 9.401  0 196 GLY A CA  1 ? 
ATOM   1415 C  C   . GLY A 1 196 ? -5.198  -12.233 -20.101 1.000 9.588  0 196 GLY A C   1 ? 
ATOM   1416 O  O   . GLY A 1 196 ? -4.169  -12.714 -19.612 1.000 10.359 0 196 GLY A O   1 ? 
ATOM   1417 N  N   . CYS A 1 197 ? -6.314  -12.904 -20.315 1.000 9.355  0 197 CYS A N   1 ? 
ATOM   1418 C  CA  . CYS A 1 197 ? -6.418  -14.336 -20.060 1.000 9.706  0 197 CYS A CA  1 ? 
ATOM   1419 C  C   . CYS A 1 197 ? -7.296  -14.937 -21.137 1.000 9.722  0 197 CYS A C   1 ? 
ATOM   1420 O  O   . CYS A 1 197 ? -8.383  -14.419 -21.437 1.000 9.422  0 197 CYS A O   1 ? 
ATOM   1421 C  CB  . CYS A 1 197 ? -7.056  -14.651 -18.715 1.000 10.221 0 197 CYS A CB  1 ? 
ATOM   1422 S  SG  . CYS A 1 197 ? -6.300  -13.783 -17.311 1.000 10.072 0 197 CYS A SG  1 ? 
ATOM   1423 N  N   . ALA A 1 198 ? -6.880  -16.111 -21.620 1.000 9.826  0 198 ALA A N   1 ? 
ATOM   1424 C  CA  . ALA A 1 198 ? -7.627  -16.913 -22.562 1.000 9.307  0 198 ALA A CA  1 ? 
ATOM   1425 C  C   . ALA A 1 198 ? -7.910  -16.130 -23.850 1.000 10.132 0 198 ALA A C   1 ? 
ATOM   1426 O  O   . ALA A 1 198 ? -8.873  -16.463 -24.570 1.000 11.520 0 198 ALA A O   1 ? 
ATOM   1427 C  CB  . ALA A 1 198 ? -8.877  -17.451 -21.913 1.000 9.678  0 198 ALA A CB  1 ? 
ATOM   1428 N  N   . GLN A 1 199 ? -7.021  -15.194 -24.244 1.000 10.187 0 199 GLN A N   1 ? 
ATOM   1429 C  CA  . GLN A 1 199 ? -7.278  -14.445 -25.458 1.000 11.226 0 199 GLN A CA  1 ? 
ATOM   1430 C  C   . GLN A 1 199 ? -6.679  -15.188 -26.634 1.000 11.228 0 199 GLN A C   1 ? 
ATOM   1431 O  O   . GLN A 1 199 ? -5.622  -15.809 -26.552 1.000 11.536 0 199 GLN A O   1 ? 
ATOM   1432 C  CB  . GLN A 1 199 ? -6.709  -13.031 -25.357 1.000 11.735 0 199 GLN A CB  1 ? 
ATOM   1433 C  CG  . GLN A 1 199 ? -7.225  -12.241 -24.153 1.000 12.304 0 199 GLN A CG  1 ? 
ATOM   1434 C  CD  . GLN A 1 199 ? -8.695  -11.979 -24.246 1.000 13.133 0 199 GLN A CD  1 ? 
ATOM   1435 O  OE1 . GLN A 1 199 ? -9.086  -11.311 -25.196 1.000 17.069 0 199 GLN A OE1 1 ? 
ATOM   1436 N  NE2 . GLN A 1 199 ? -9.517  -12.528 -23.344 1.000 14.781 0 199 GLN A NE2 1 ? 
ATOM   1437 N  N   . LYS A 1 200 ? -7.285  -14.986 -27.798 1.000 11.859 0 200 LYS A N   1 ? 
ATOM   1438 C  CA  . LYS A 1 200 ? -6.767  -15.564 -29.027 1.000 13.005 0 200 LYS A CA  1 ? 
ATOM   1439 C  C   . LYS A 1 200 ? -5.340  -15.090 -29.307 1.000 12.749 0 200 LYS A C   1 ? 
ATOM   1440 O  O   . LYS A 1 200 ? -5.030  -13.907 -29.165 1.000 12.877 0 200 LYS A O   1 ? 
ATOM   1441 C  CB  . LYS A 1 200 ? -7.659  -15.135 -30.198 1.000 14.757 0 200 LYS A CB  1 ? 
ATOM   1442 C  CG  . LYS A 1 200 ? -7.407  -15.869 -31.487 1.000 18.688 0 200 LYS A CG  1 ? 
ATOM   1443 C  CD  . LYS A 1 200 ? -8.361  -15.475 -32.628 1.000 22.513 0 200 LYS A CD  1 ? 
ATOM   1444 C  CE  . LYS A 1 200 ? -7.821  -15.922 -33.965 1.000 27.438 0 200 LYS A CE  1 ? 
ATOM   1445 N  NZ  . LYS A 1 200 ? -7.603  -17.381 -33.962 1.000 35.679 0 200 LYS A NZ  1 ? 
ATOM   1446 N  N   . ASN A 1 201 ? -4.456  -16.039 -29.644 1.000 11.010 0 201 ASN A N   1 ? 
ATOM   1447 C  CA  . ASN A 1 201 ? -3.085  -15.764 -30.012 1.000 13.456 0 201 ASN A CA  1 ? 
ATOM   1448 C  C   . ASN A 1 201 ? -2.247  -15.200 -28.874 1.000 12.746 0 201 ASN A C   1 ? 
ATOM   1449 O  O   . ASN A 1 201 ? -1.157  -14.709 -29.123 1.000 14.630 0 201 ASN A O   1 ? 
ATOM   1450 C  CB  . ASN A 1 201 ? -3.030  -14.891 -31.258 1.000 13.949 0 201 ASN A CB  1 ? 
ATOM   1451 C  CG  . ASN A 1 201 ? -3.449  -15.661 -32.504 1.000 19.549 0 201 ASN A CG  1 ? 
ATOM   1452 O  OD1 . ASN A 1 201 ? -4.090  -15.091 -33.399 1.000 24.669 0 201 ASN A OD1 1 ? 
ATOM   1453 N  ND2 . ASN A 1 201 ? -3.072  -16.934 -32.563 1.000 21.887 0 201 ASN A ND2 1 ? 
ATOM   1454 N  N   . LYS A 1 202 ? -2.742  -15.313 -27.636 1.000 11.562 0 202 LYS A N   1 ? 
ATOM   1455 C  CA  . LYS A 1 202 ? -2.047  -14.831 -26.455 1.000 12.082 0 202 LYS A CA  1 ? 
ATOM   1456 C  C   . LYS A 1 202 ? -2.036  -15.917 -25.400 1.000 10.168 0 202 LYS A C   1 ? 
ATOM   1457 O  O   . LYS A 1 202 ? -2.746  -15.849 -24.379 1.000 9.156  0 202 LYS A O   1 ? 
ATOM   1458 C  CB  . LYS A 1 202 ? -2.665  -13.552 -25.927 1.000 12.025 0 202 LYS A CB  1 ? 
ATOM   1459 C  CG  . LYS A 1 202 ? -2.548  -12.412 -26.935 1.000 13.024 0 202 LYS A CG  1 ? 
ATOM   1460 C  CD  . LYS A 1 202 ? -1.120  -11.944 -27.121 1.000 14.598 0 202 LYS A CD  1 ? 
ATOM   1461 C  CE  . LYS A 1 202 ? -0.954  -10.840 -28.137 1.000 15.596 0 202 LYS A CE  1 ? 
ATOM   1462 N  NZ  . LYS A 1 202 ? 0.470   -10.408 -28.240 1.000 15.521 0 202 LYS A NZ  1 ? 
ATOM   1463 N  N   . PRO A 1 203 ? -1.185  -16.942 -25.571 1.000 10.074 0 203 PRO A N   1 ? 
ATOM   1464 C  CA  . PRO A 1 203 ? -1.183  -18.079 -24.631 1.000 9.894  0 203 PRO A CA  1 ? 
ATOM   1465 C  C   . PRO A 1 203 ? -0.513  -17.664 -23.317 1.000 8.449  0 203 PRO A C   1 ? 
ATOM   1466 O  O   . PRO A 1 203 ? 0.116   -16.615 -23.175 1.000 8.898  0 203 PRO A O   1 ? 
ATOM   1467 C  CB  . PRO A 1 203 ? -0.372  -19.155 -25.369 1.000 11.112 0 203 PRO A CB  1 ? 
ATOM   1468 C  CG  . PRO A 1 203 ? 0.566   -18.349 -26.210 1.000 11.260 0 203 PRO A CG  1 ? 
ATOM   1469 C  CD  . PRO A 1 203 ? -0.265  -17.181 -26.685 1.000 10.396 0 203 PRO A CD  1 ? 
ATOM   1470 N  N   . GLY A 1 204 ? -0.654  -18.529 -22.321 1.000 8.615  0 204 GLY A N   1 ? 
ATOM   1471 C  CA  . GLY A 1 204 ? 0.040   -18.338 -21.071 1.000 7.578  0 204 GLY A CA  1 ? 
ATOM   1472 C  C   . GLY A 1 204 ? 1.548   -18.478 -21.219 1.000 7.825  0 204 GLY A C   1 ? 
ATOM   1473 O  O   . GLY A 1 204 ? 2.039   -19.329 -21.953 1.000 7.941  0 204 GLY A O   1 ? 
ATOM   1474 N  N   . VAL A 1 205 ? 2.262   -17.663 -20.428 1.000 6.696  0 205 VAL A N   1 ? 
ATOM   1475 C  CA  . VAL A 1 205 ? 3.712   -17.683 -20.369 1.000 6.624  0 205 VAL A CA  1 ? 
ATOM   1476 C  C   . VAL A 1 205 ? 4.119   -18.117 -18.976 1.000 7.201  0 205 VAL A C   1 ? 
ATOM   1477 O  O   . VAL A 1 205 ? 3.599   -17.650 -17.959 1.000 7.216  0 205 VAL A O   1 ? 
ATOM   1478 C  CB  . VAL A 1 205 ? 4.325   -16.315 -20.758 1.000 7.270  0 205 VAL A CB  1 ? 
ATOM   1479 C  CG1 . VAL A 1 205 ? 5.819   -16.512 -20.853 1.000 7.785  0 205 VAL A CG1 1 ? 
ATOM   1480 C  CG2 . VAL A 1 205 ? 3.763   -15.826 -22.072 1.000 7.911  0 205 VAL A CG2 1 ? 
ATOM   1481 N  N   . TYR A 1 206 ? 5.045   -19.106 -18.952 1.000 6.251  0 206 TYR A N   1 ? 
ATOM   1482 C  CA  . TYR A 1 206 ? 5.423   -19.805 -17.735 1.000 6.164  0 206 TYR A CA  1 ? 
ATOM   1483 C  C   . TYR A 1 206 ? 6.930   -19.748 -17.526 1.000 6.488  0 206 TYR A C   1 ? 
ATOM   1484 O  O   . TYR A 1 206 ? 7.701   -19.858 -18.470 1.000 7.704  0 206 TYR A O   1 ? 
ATOM   1485 C  CB  . TYR A 1 206 ? 4.949   -21.266 -17.873 1.000 6.345  0 206 TYR A CB  1 ? 
ATOM   1486 C  CG  . TYR A 1 206 ? 3.454   -21.301 -18.016 1.000 6.959  0 206 TYR A CG  1 ? 
ATOM   1487 C  CD1 . TYR A 1 206 ? 2.657   -21.314 -16.869 1.000 7.165  0 206 TYR A CD1 1 ? 
ATOM   1488 C  CD2 . TYR A 1 206 ? 2.803   -21.319 -19.246 1.000 6.490  0 206 TYR A CD2 1 ? 
ATOM   1489 C  CE1 . TYR A 1 206 ? 1.289   -21.317 -16.929 1.000 7.349  0 206 TYR A CE1 1 ? 
ATOM   1490 C  CE2 . TYR A 1 206 ? 1.428   -21.285 -19.330 1.000 7.008  0 206 TYR A CE2 1 ? 
ATOM   1491 C  CZ  . TYR A 1 206 ? 0.667   -21.285 -18.176 1.000 6.830  0 206 TYR A CZ  1 ? 
ATOM   1492 O  OH  . TYR A 1 206 ? -0.716  -21.225 -18.262 1.000 7.939  0 206 TYR A OH  1 ? 
ATOM   1493 N  N   . THR A 1 207 ? 7.354   -19.673 -16.270 1.000 6.181  0 207 THR A N   1 ? 
ATOM   1494 C  CA  . THR A 1 207 ? 8.754   -19.772 -15.952 1.000 6.201  0 207 THR A CA  1 ? 
ATOM   1495 C  C   . THR A 1 207 ? 9.255   -21.193 -16.175 1.000 6.801  0 207 THR A C   1 ? 
ATOM   1496 O  O   . THR A 1 207 ? 8.631   -22.130 -15.766 1.000 7.112  0 207 THR A O   1 ? 
ATOM   1497 C  CB  . THR A 1 207 ? 9.020   -19.408 -14.485 1.000 6.402  0 207 THR A CB  1 ? 
ATOM   1498 O  OG1 . THR A 1 207 ? 8.337   -18.178 -14.213 1.000 6.757  0 207 THR A OG1 1 ? 
ATOM   1499 C  CG2 . THR A 1 207 ? 10.497  -19.359 -14.210 1.000 7.095  0 207 THR A CG2 1 ? 
ATOM   1500 N  N   . LYS A 1 208 ? 10.414  -21.291 -16.849 1.000 7.273  0 208 LYS A N   1 ? 
ATOM   1501 C  CA  . LYS A 1 208 ? 10.963  -22.586 -17.251 1.000 7.953  0 208 LYS A CA  1 ? 
ATOM   1502 C  C   . LYS A 1 208 ? 11.818  -23.180 -16.116 1.000 7.704  0 208 LYS A C   1 ? 
ATOM   1503 O  O   . LYS A 1 208 ? 13.022  -22.979 -16.008 1.000 7.926  0 208 LYS A O   1 ? 
ATOM   1504 C  CB  . LYS A 1 208 ? 11.725  -22.400 -18.553 1.000 9.438  0 208 LYS A CB  1 ? 
ATOM   1505 C  CG  . LYS A 1 208 ? 12.187  -23.714 -19.208 1.000 11.598 0 208 LYS A CG  1 ? 
ATOM   1506 C  CD  . LYS A 1 208 ? 12.824  -23.465 -20.581 1.000 13.045 0 208 LYS A CD  1 ? 
ATOM   1507 C  CE  . LYS A 1 208 ? 13.351  -24.762 -21.187 1.000 17.084 0 208 LYS A CE  1 ? 
ATOM   1508 N  NZ  . LYS A 1 208 ? 13.605  -24.642 -22.647 1.000 21.774 0 208 LYS A NZ  1 ? 
ATOM   1509 N  N   . VAL A 1 209 ? 11.182  -24.012 -15.297 1.000 7.414  0 209 VAL A N   1 ? 
ATOM   1510 C  CA  . VAL A 1 209 ? 11.749  -24.485 -14.045 1.000 7.399  0 209 VAL A CA  1 ? 
ATOM   1511 C  C   . VAL A 1 209 ? 13.040  -25.262 -14.286 1.000 8.321  0 209 VAL A C   1 ? 
ATOM   1512 O  O   . VAL A 1 209 ? 13.920  -25.253 -13.452 1.000 7.957  0 209 VAL A O   1 ? 
ATOM   1513 C  CB  . VAL A 1 209 ? 10.715  -25.310 -13.243 1.000 8.038  0 209 VAL A CB  1 ? 
ATOM   1514 C  CG1 . VAL A 1 209 ? 11.329  -25.998 -12.065 1.000 8.106  0 209 VAL A CG1 1 ? 
ATOM   1515 C  CG2 . VAL A 1 209 ? 9.512   -24.458 -12.827 1.000 8.368  0 209 VAL A CG2 1 ? 
ATOM   1516 N  N   . CYS A 1 210 ? 13.119  -26.042 -15.368 1.000 8.350  0 210 CYS A N   1 ? 
ATOM   1517 C  CA  . CYS A 1 210 ? 14.294  -26.885 -15.571 1.000 9.744  0 210 CYS A CA  1 ? 
ATOM   1518 C  C   . CYS A 1 210 ? 15.579  -26.075 -15.627 1.000 10.571 0 210 CYS A C   1 ? 
ATOM   1519 O  O   . CYS A 1 210 ? 16.654  -26.597 -15.331 1.000 12.678 0 210 CYS A O   1 ? 
ATOM   1520 C  CB  . CYS A 1 210 ? 14.123  -27.721 -16.827 1.000 9.866  0 210 CYS A CB  1 ? 
ATOM   1521 S  SG  . CYS A 1 210 ? 14.013  -26.784 -18.347 1.000 10.541 0 210 CYS A SG  1 ? 
ATOM   1522 N  N   . ASN A 1 211 ? 15.524  -24.769 -15.959 1.000 8.665  0 211 ASN A N   1 ? 
ATOM   1523 C  CA  . ASN A 1 211 ? 16.712  -23.937 -15.954 1.000 9.330  0 211 ASN A CA  1 ? 
ATOM   1524 C  C   . ASN A 1 211 ? 17.201  -23.588 -14.545 1.000 9.406  0 211 ASN A C   1 ? 
ATOM   1525 O  O   . ASN A 1 211 ? 18.328  -23.086 -14.404 1.000 12.453 0 211 ASN A O   1 ? 
ATOM   1526 C  CB  . ASN A 1 211 ? 16.485  -22.618 -16.699 1.000 8.869  0 211 ASN A CB  1 ? 
ATOM   1527 C  CG  . ASN A 1 211 ? 16.293  -22.762 -18.194 1.000 9.978  0 211 ASN A CG  1 ? 
ATOM   1528 O  OD1 . ASN A 1 211 ? 16.319  -23.864 -18.729 1.000 13.200 0 211 ASN A OD1 1 ? 
ATOM   1529 N  ND2 . ASN A 1 211 ? 15.970  -21.657 -18.845 1.000 10.231 0 211 ASN A ND2 1 ? 
ATOM   1530 N  N   . TYR A 1 212 ? 16.396  -23.831 -13.512 1.000 8.259  0 212 TYR A N   1 ? 
ATOM   1531 C  CA  . TYR A 1 212 ? 16.651  -23.361 -12.156 1.000 7.737  0 212 TYR A CA  1 ? 
ATOM   1532 C  C   . TYR A 1 212 ? 16.963  -24.473 -11.161 1.000 8.326  0 212 TYR A C   1 ? 
ATOM   1533 O  O   . TYR A 1 212 ? 17.054  -24.175 -9.972  1.000 9.410  0 212 TYR A O   1 ? 
ATOM   1534 C  CB  . TYR A 1 212 ? 15.427  -22.574 -11.659 1.000 7.942  0 212 TYR A CB  1 ? 
ATOM   1535 C  CG  . TYR A 1 212 ? 15.194  -21.349 -12.523 1.000 7.759  0 212 TYR A CG  1 ? 
ATOM   1536 C  CD1 . TYR A 1 212 ? 15.963  -20.200 -12.356 1.000 8.317  0 212 TYR A CD1 1 ? 
ATOM   1537 C  CD2 . TYR A 1 212 ? 14.301  -21.363 -13.595 1.000 8.423  0 212 TYR A CD2 1 ? 
ATOM   1538 C  CE1 . TYR A 1 212 ? 15.823  -19.091 -13.177 1.000 8.356  0 212 TYR A CE1 1 ? 
ATOM   1539 C  CE2 . TYR A 1 212 ? 14.144  -20.262 -14.414 1.000 8.513  0 212 TYR A CE2 1 ? 
ATOM   1540 C  CZ  . TYR A 1 212 ? 14.892  -19.128 -14.207 1.000 8.527  0 212 TYR A CZ  1 ? 
ATOM   1541 O  OH  . TYR A 1 212 ? 14.767  -18.032 -15.020 1.000 9.117  0 212 TYR A OH  1 ? 
ATOM   1542 N  N   . VAL A 1 213 ? 17.010  -25.725 -11.603 1.000 8.700  0 213 VAL A N   1 ? 
ATOM   1543 C  CA  . VAL A 1 213 ? 17.152  -26.823 -10.661 1.000 10.199 0 213 VAL A CA  1 ? 
ATOM   1544 C  C   . VAL A 1 213 ? 18.453  -26.675 -9.870  1.000 9.085  0 213 VAL A C   1 ? 
ATOM   1545 O  O   . VAL A 1 213 ? 18.425  -26.926 -8.659  1.000 10.445 0 213 VAL A O   1 ? 
ATOM   1546 C  CB  . VAL A 1 213 ? 17.053  -28.196 -11.355 1.000 11.129 0 213 VAL A CB  1 ? 
ATOM   1547 C  CG1 . VAL A 1 213 ? 17.362  -29.319 -10.381 1.000 13.631 0 213 VAL A CG1 1 ? 
ATOM   1548 C  CG2 . VAL A 1 213 ? 15.660  -28.351 -11.972 1.000 11.670 0 213 VAL A CG2 1 ? 
ATOM   1549 N  N   . SER A 1 214 ? 19.572  -26.286 -10.485 1.000 10.891 0 214 SER A N   1 ? 
ATOM   1550 C  CA  . SER A 1 214 ? 20.822  -26.121 -9.744  1.000 11.698 0 214 SER A CA  1 ? 
ATOM   1551 C  C   . SER A 1 214 ? 20.695  -25.075 -8.653  1.000 10.837 0 214 SER A C   1 ? 
ATOM   1552 O  O   . SER A 1 214 ? 21.092  -25.296 -7.506  1.000 11.541 0 214 SER A O   1 ? 
ATOM   1553 C  CB  . SER A 1 214 ? 21.907  -25.750 -10.714 1.000 15.488 0 214 SER A CB  1 ? 
ATOM   1554 O  OG  . SER A 1 214 ? 22.281  -26.942 -11.386 1.000 24.232 0 214 SER A OG  1 ? 
ATOM   1555 N  N   . TRP A 1 215 ? 20.102  -23.931 -9.004  1.000 9.140  0 215 TRP A N   1 ? 
ATOM   1556 C  CA  . TRP A 1 215 ? 19.911  -22.851 -8.035  1.000 9.650  0 215 TRP A CA  1 ? 
ATOM   1557 C  C   . TRP A 1 215 ? 18.975  -23.301 -6.916  1.000 9.046  0 215 TRP A C   1 ? 
ATOM   1558 O  O   . TRP A 1 215 ? 19.198  -23.052 -5.734  1.000 8.132  0 215 TRP A O   1 ? 
ATOM   1559 C  CB  . TRP A 1 215 ? 19.380  -21.589 -8.750  1.000 9.375  0 215 TRP A CB  1 ? 
ATOM   1560 C  CG  . TRP A 1 215 ? 18.953  -20.526 -7.784  1.000 8.479  0 215 TRP A CG  1 ? 
ATOM   1561 C  CD1 . TRP A 1 215 ? 19.749  -19.668 -7.083  1.000 9.230  0 215 TRP A CD1 1 ? 
ATOM   1562 C  CD2 . TRP A 1 215 ? 17.613  -20.156 -7.427  1.000 8.173  0 215 TRP A CD2 1 ? 
ATOM   1563 N  NE1 . TRP A 1 215 ? 19.006  -18.821 -6.304  1.000 8.860  0 215 TRP A NE1 1 ? 
ATOM   1564 C  CE2 . TRP A 1 215 ? 17.670  -19.085 -6.500  1.000 8.789  0 215 TRP A CE2 1 ? 
ATOM   1565 C  CE3 . TRP A 1 215 ? 16.350  -20.589 -7.846  1.000 8.753  0 215 TRP A CE3 1 ? 
ATOM   1566 C  CZ2 . TRP A 1 215 ? 16.525  -18.498 -5.969  1.000 9.296  0 215 TRP A CZ2 1 ? 
ATOM   1567 C  CZ3 . TRP A 1 215 ? 15.224  -20.042 -7.285  1.000 9.189  0 215 TRP A CZ3 1 ? 
ATOM   1568 C  CH2 . TRP A 1 215 ? 15.305  -18.999 -6.370  1.000 9.633  0 215 TRP A CH2 1 ? 
ATOM   1569 N  N   . ILE A 1 216 ? 17.896  -24.011 -7.232  1.000 8.609  0 216 ILE A N   1 ? 
ATOM   1570 C  CA  . ILE A 1 216 ? 16.972  -24.453 -6.203  1.000 8.677  0 216 ILE A CA  1 ? 
ATOM   1571 C  C   . ILE A 1 216 ? 17.689  -25.378 -5.224  1.000 8.863  0 216 ILE A C   1 ? 
ATOM   1572 O  O   . ILE A 1 216 ? 17.584  -25.197 -4.034  1.000 8.292  0 216 ILE A O   1 ? 
ATOM   1573 C  CB  . ILE A 1 216 ? 15.733  -25.120 -6.821  1.000 9.632  0 216 ILE A CB  1 ? 
ATOM   1574 C  CG1 . ILE A 1 216 ? 14.917  -24.083 -7.599  1.000 10.050 0 216 ILE A CG1 1 ? 
ATOM   1575 C  CG2 . ILE A 1 216 ? 14.890  -25.820 -5.764  1.000 9.688  0 216 ILE A CG2 1 ? 
ATOM   1576 C  CD1 . ILE A 1 216 ? 13.817  -24.725 -8.436  1.000 10.812 0 216 ILE A CD1 1 ? 
ATOM   1577 N  N   . LYS A 1 217 ? 18.397  -26.354 -5.752  1.000 9.987  0 217 LYS A N   1 ? 
ATOM   1578 C  CA  . LYS A 1 217 ? 19.032  -27.354 -4.891  1.000 10.921 0 217 LYS A CA  1 ? 
ATOM   1579 C  C   . LYS A 1 217 ? 20.134  -26.764 -4.034  1.000 11.298 0 217 LYS A C   1 ? 
ATOM   1580 O  O   . LYS A 1 217 ? 20.176  -27.058 -2.841  1.000 11.368 0 217 LYS A O   1 ? 
ATOM   1581 C  CB  . LYS A 1 217 ? 19.575  -28.486 -5.751  1.000 13.335 0 217 LYS A CB  1 ? 
ATOM   1582 C  CG  . LYS A 1 217 ? 18.501  -29.328 -6.393  1.000 16.828 0 217 LYS A CG  1 ? 
ATOM   1583 C  CD  . LYS A 1 217 ? 19.150  -30.446 -7.215  1.000 23.269 0 217 LYS A CD  1 ? 
ATOM   1584 C  CE  . LYS A 1 217 ? 18.205  -31.502 -7.732  1.000 30.245 0 217 LYS A CE  1 ? 
ATOM   1585 N  NZ  . LYS A 1 217 ? 17.621  -32.272 -6.613  1.000 34.978 0 217 LYS A NZ  1 ? 
ATOM   1586 N  N   . GLN A 1 218 ? 20.945  -25.862 -4.575  1.000 11.499 0 218 GLN A N   1 ? 
ATOM   1587 C  CA  . GLN A 1 218 ? 22.025  -25.236 -3.807  1.000 13.416 0 218 GLN A CA  1 ? 
ATOM   1588 C  C   . GLN A 1 218 ? 21.418  -24.372 -2.733  1.000 11.216 0 218 GLN A C   1 ? 
ATOM   1589 O  O   . GLN A 1 218 ? 21.935  -24.224 -1.621  1.000 11.670 0 218 GLN A O   1 ? 
ATOM   1590 C  CB  . GLN A 1 218 ? 22.966  -24.423 -4.708  1.000 18.383 0 218 GLN A CB  1 ? 
ATOM   1591 C  CG  . GLN A 1 218 ? 23.236  -25.047 -6.059  1.000 29.809 0 218 GLN A CG  1 ? 
ATOM   1592 C  CD  . GLN A 1 218 ? 24.618  -25.546 -6.370  1.000 42.414 0 218 GLN A CD  1 ? 
ATOM   1593 O  OE1 . GLN A 1 218 ? 25.127  -26.465 -5.727  1.000 61.507 0 218 GLN A OE1 1 ? 
ATOM   1594 N  NE2 . GLN A 1 218 ? 25.191  -24.987 -7.429  1.000 41.498 0 218 GLN A NE2 1 ? 
ATOM   1595 N  N   . THR A 1 219 ? 20.347  -23.640 -3.096  1.000 10.535 0 219 THR A N   1 ? 
ATOM   1596 C  CA  . THR A 1 219 ? 19.743  -22.695 -2.173  1.000 10.332 0 219 THR A CA  1 ? 
ATOM   1597 C  C   . THR A 1 219 ? 19.177  -23.468 -0.997  1.000 11.183 0 219 THR A C   1 ? 
ATOM   1598 O  O   . THR A 1 219 ? 19.364  -23.101 0.183   1.000 10.315 0 219 THR A O   1 ? 
ATOM   1599 C  CB  . THR A 1 219 ? 18.704  -21.780 -2.859  1.000 10.243 0 219 THR A CB  1 ? 
ATOM   1600 O  OG1 . THR A 1 219 ? 19.362  -21.065 -3.900  1.000 10.394 0 219 THR A OG1 1 ? 
ATOM   1601 C  CG2 . THR A 1 219 ? 18.018  -20.854 -1.860  1.000 10.705 0 219 THR A CG2 1 ? 
ATOM   1602 N  N   . ILE A 1 220 ? 18.422  -24.550 -1.287  1.000 9.811  0 220 ILE A N   1 ? 
ATOM   1603 C  CA  . ILE A 1 220 ? 17.858  -25.356 -0.226  1.000 11.139 0 220 ILE A CA  1 ? 
ATOM   1604 C  C   . ILE A 1 220 ? 18.957  -25.903 0.676   1.000 11.063 0 220 ILE A C   1 ? 
ATOM   1605 O  O   . ILE A 1 220 ? 18.768  -25.978 1.888   1.000 13.378 0 220 ILE A O   1 ? 
ATOM   1606 C  CB  . ILE A 1 220 ? 16.932  -26.425 -0.804  1.000 12.450 0 220 ILE A CB  1 ? 
ATOM   1607 C  CG1 . ILE A 1 220 ? 15.696  -25.696 -1.327  1.000 13.544 0 220 ILE A CG1 1 ? 
ATOM   1608 C  CG2 . ILE A 1 220 ? 16.641  -27.515 0.225   1.000 14.696 0 220 ILE A CG2 1 ? 
ATOM   1609 C  CD1 . ILE A 1 220 ? 14.799  -26.601 -2.141  1.000 16.828 0 220 ILE A CD1 1 ? 
ATOM   1610 N  N   . ALA A 1 221 ? 20.061  -26.317 0.080   1.000 10.795 0 221 ALA A N   1 ? 
ATOM   1611 C  CA  . ALA A 1 221 ? 21.096  -27.018 0.835   1.000 12.290 0 221 ALA A CA  1 ? 
ATOM   1612 C  C   . ALA A 1 221 ? 21.733  -26.092 1.862   1.000 13.397 0 221 ALA A C   1 ? 
ATOM   1613 O  O   . ALA A 1 221 ? 22.353  -26.563 2.808   1.000 12.745 0 221 ALA A O   1 ? 
ATOM   1614 C  CB  . ALA A 1 221 ? 22.172  -27.508 -0.111  1.000 12.698 0 221 ALA A CB  1 ? 
ATOM   1615 N  N   . SER A 1 222 ? 21.621  -24.767 1.666   1.000 12.709 0 222 SER A N   1 ? 
ATOM   1616 C  CA  . SER A 1 222 ? 22.353  -23.812 2.491   1.000 13.197 0 222 SER A CA  1 ? 
ATOM   1617 C  C   . SER A 1 222 ? 21.477  -22.831 3.253   1.000 13.318 0 222 SER A C   1 ? 
ATOM   1618 O  O   . SER A 1 222 ? 21.985  -21.891 3.845   1.000 14.399 0 222 SER A O   1 ? 
ATOM   1619 C  CB  . SER A 1 222 ? 23.331  -23.036 1.707   1.000 16.776 0 222 SER A CB  1 ? 
ATOM   1620 O  OG  . SER A 1 222 ? 24.443  -23.851 1.401   1.000 19.691 0 222 SER A OG  1 ? 
ATOM   1621 N  N   . ASN A 1 223 ? 20.172  -23.101 3.336   1.000 12.729 0 223 ASN A N   1 ? 
ATOM   1622 C  CA  . ASN A 1 223 ? 19.207  -22.216 3.977   1.000 12.972 0 223 ASN A CA  1 ? 
ATOM   1623 C  C   . ASN A 1 223 ? 18.203  -23.017 4.824   1.000 14.562 0 223 ASN A C   1 ? 
ATOM   1624 O  O   . ASN A 1 223 ? 17.286  -22.382 5.354   1.000 17.072 0 223 ASN A O   1 ? 
ATOM   1625 C  CB  . ASN A 1 223 ? 18.496  -21.362 2.937   1.000 12.740 0 223 ASN A CB  1 ? 
ATOM   1626 C  CG  . ASN A 1 223 ? 19.362  -20.252 2.400   1.000 13.148 0 223 ASN A CG  1 ? 
ATOM   1627 O  OD1 . ASN A 1 223 ? 19.486  -19.182 3.041   1.000 15.950 0 223 ASN A OD1 1 ? 
ATOM   1628 N  ND2 . ASN A 1 223 ? 19.942  -20.489 1.236   1.000 11.522 0 223 ASN A ND2 1 ? 
ATOM   1629 O  OXT . ASN A 1 223 ? 18.341  -24.263 4.914   1.000 16.265 0 223 ASN A OXT 1 ? 
HETATM 1630 CA CA  . CA  B 2 .   ? -10.094 -24.980 3.170   1.000 8.033  0 301 CA  A CA  1 ? 
HETATM 1631 C  C1  . BEN C 3 .   ? -1.848  -15.066 -17.082 1.000 10.222 0 302 BEN A C1  1 ? 
HETATM 1632 C  C2  . BEN C 3 .   ? -1.309  -15.687 -15.987 1.000 11.105 0 302 BEN A C2  1 ? 
HETATM 1633 C  C3  . BEN C 3 .   ? -0.969  -15.017 -14.842 1.000 12.451 0 302 BEN A C3  1 ? 
HETATM 1634 C  C4  . BEN C 3 .   ? -1.241  -13.685 -14.732 1.000 13.922 0 302 BEN A C4  1 ? 
HETATM 1635 C  C5  . BEN C 3 .   ? -1.740  -13.031 -15.831 1.000 15.251 0 302 BEN A C5  1 ? 
HETATM 1636 C  C6  . BEN C 3 .   ? -2.054  -13.709 -16.999 1.000 13.764 0 302 BEN A C6  1 ? 
HETATM 1637 C  C   . BEN C 3 .   ? -2.171  -15.847 -18.290 1.000 10.199 0 302 BEN A C   1 ? 
HETATM 1638 N  N1  . BEN C 3 .   ? -1.817  -17.103 -18.445 1.000 8.639  0 302 BEN A N1  1 ? 
HETATM 1639 N  N2  . BEN C 3 .   ? -2.906  -15.271 -19.245 1.000 9.574  0 302 BEN A N2  1 ? 
HETATM 1640 C  C1  . GOL D 4 .   ? -4.334  -25.205 9.860   1.000 30.124 0 303 GOL A C1  1 ? 
HETATM 1641 O  O1  . GOL D 4 .   ? -3.079  -25.762 10.263  1.000 21.431 0 303 GOL A O1  1 ? 
HETATM 1642 C  C2  . GOL D 4 .   ? -5.535  -25.856 10.498  1.000 33.717 0 303 GOL A C2  1 ? 
HETATM 1643 O  O2  . GOL D 4 .   ? -5.533  -25.571 11.897  1.000 39.546 0 303 GOL A O2  1 ? 
HETATM 1644 C  C3  . GOL D 4 .   ? -6.846  -25.414 9.883   1.000 35.945 0 303 GOL A C3  1 ? 
HETATM 1645 O  O3  . GOL D 4 .   ? -7.784  -24.952 10.854  1.000 39.016 0 303 GOL A O3  1 ? 
HETATM 1646 O  O   . HOH E 5 .   ? 14.885  -32.977 -22.200 1.000 32.913 0 401 HOH A O   1 ? 
HETATM 1647 O  O   . HOH E 5 .   ? -17.880 -23.716 -4.694  1.000 48.350 0 402 HOH A O   1 ? 
HETATM 1648 O  O   . HOH E 5 .   ? -14.505 -28.946 -1.286  1.000 22.712 0 403 HOH A O   1 ? 
HETATM 1649 O  O   . HOH E 5 .   ? -4.989  -41.489 1.043   1.000 24.245 0 404 HOH A O   1 ? 
HETATM 1650 O  O   . HOH E 5 .   ? 6.030   -18.313 -36.049 1.000 39.148 0 405 HOH A O   1 ? 
HETATM 1651 O  O   . HOH E 5 .   ? 14.594  -22.078 -23.154 1.000 35.408 0 406 HOH A O   1 ? 
HETATM 1652 O  O   . HOH E 5 .   ? -10.157 -27.161 2.044   1.000 7.436  0 407 HOH A O   1 ? 
HETATM 1653 O  O   . HOH E 5 .   ? -2.063  -21.419 -20.463 1.000 8.650  0 408 HOH A O   1 ? 
HETATM 1654 O  O   . HOH E 5 .   ? 21.545  -17.895 3.960   1.000 29.439 0 409 HOH A O   1 ? 
HETATM 1655 O  O   . HOH E 5 .   ? 17.001  -19.850 6.307   1.000 33.860 0 410 HOH A O   1 ? 
HETATM 1656 O  O   . HOH E 5 .   ? 18.686  -27.808 3.734   1.000 18.391 0 411 HOH A O   1 ? 
HETATM 1657 O  O   . HOH E 5 .   ? 4.049   -8.891  -5.022  1.000 39.510 0 412 HOH A O   1 ? 
HETATM 1658 O  O   . HOH E 5 .   ? 12.705  -21.939 8.801   1.000 25.443 0 413 HOH A O   1 ? 
HETATM 1659 O  O   . HOH E 5 .   ? -4.089  -18.121 -26.593 1.000 20.780 0 414 HOH A O   1 ? 
HETATM 1660 O  O   . HOH E 5 .   ? -1.776  -13.326 -10.416 1.000 20.956 0 415 HOH A O   1 ? 
HETATM 1661 O  O   . HOH E 5 .   ? 6.283   -36.706 -21.047 1.000 35.240 0 416 HOH A O   1 ? 
HETATM 1662 O  O   . HOH E 5 .   ? 10.960  -26.589 -17.240 1.000 9.727  0 417 HOH A O   1 ? 
HETATM 1663 O  O   . HOH E 5 .   ? 2.804   -35.312 -20.113 1.000 33.037 0 418 HOH A O   1 ? 
HETATM 1664 O  O   . HOH E 5 .   ? -5.859  -11.429 -28.870 1.000 21.360 0 419 HOH A O   1 ? 
HETATM 1665 O  O   . HOH E 5 .   ? 12.918  -35.827 -10.918 1.000 28.949 0 420 HOH A O   1 ? 
HETATM 1666 O  O   . HOH E 5 .   ? 5.417   -24.222 -34.373 1.000 28.215 0 421 HOH A O   1 ? 
HETATM 1667 O  O   . HOH E 5 .   ? -7.334  -34.251 -13.185 1.000 22.604 0 422 HOH A O   1 ? 
HETATM 1668 O  O   . HOH E 5 .   ? -8.583  -10.999 -20.475 1.000 14.331 0 423 HOH A O   1 ? 
HETATM 1669 O  O   . HOH E 5 .   ? 8.484   -33.439 -22.461 1.000 26.167 0 424 HOH A O   1 ? 
HETATM 1670 O  O   . HOH E 5 .   ? 7.452   -7.947  -9.113  1.000 14.381 0 425 HOH A O   1 ? 
HETATM 1671 O  O   . HOH E 5 .   ? -16.718 -18.708 -14.307 1.000 32.442 0 426 HOH A O   1 ? 
HETATM 1672 O  O   . HOH E 5 .   ? 10.976  -31.930 -5.297  1.000 17.772 0 427 HOH A O   1 ? 
HETATM 1673 O  O   . HOH E 5 .   ? -14.697 -24.475 -17.911 1.000 32.112 0 428 HOH A O   1 ? 
HETATM 1674 O  O   . HOH E 5 .   ? -10.224 -17.589 -5.602  1.000 18.945 0 429 HOH A O   1 ? 
HETATM 1675 O  O   . HOH E 5 .   ? 1.753   -9.008  3.994   1.000 41.526 0 430 HOH A O   1 ? 
HETATM 1676 O  O   . HOH E 5 .   ? -6.764  -27.215 -29.574 1.000 31.432 0 431 HOH A O   1 ? 
HETATM 1677 O  O   . HOH E 5 .   ? -13.722 -29.482 -5.396  1.000 12.448 0 432 HOH A O   1 ? 
HETATM 1678 O  O   . HOH E 5 .   ? -4.357  -31.000 -1.184  1.000 12.596 0 433 HOH A O   1 ? 
HETATM 1679 O  O   . HOH E 5 .   ? 9.754   -10.111 -21.271 1.000 17.739 0 434 HOH A O   1 ? 
HETATM 1680 O  O   . HOH E 5 .   ? -13.695 -20.307 -21.908 1.000 27.201 0 435 HOH A O   1 ? 
HETATM 1681 O  O   . HOH E 5 .   ? -3.648  -36.567 -3.718  1.000 14.385 0 436 HOH A O   1 ? 
HETATM 1682 O  O   . HOH E 5 .   ? -11.493 -15.965 -24.771 1.000 41.723 0 437 HOH A O   1 ? 
HETATM 1683 O  O   . HOH E 5 .   ? 12.160  -20.729 -24.315 1.000 24.119 0 438 HOH A O   1 ? 
HETATM 1684 O  O   . HOH E 5 .   ? -14.006 -20.560 -17.106 1.000 19.304 0 439 HOH A O   1 ? 
HETATM 1685 O  O   . HOH E 5 .   ? 24.599  -24.732 -1.126  1.000 23.402 0 440 HOH A O   1 ? 
HETATM 1686 O  O   . HOH E 5 .   ? 16.547  -23.797 -21.405 1.000 26.166 0 441 HOH A O   1 ? 
HETATM 1687 O  O   . HOH E 5 .   ? 12.310  -22.683 11.565  1.000 36.234 0 442 HOH A O   1 ? 
HETATM 1688 O  O   . HOH E 5 .   ? -9.696  -35.389 0.298   1.000 25.071 0 443 HOH A O   1 ? 
HETATM 1689 O  O   . HOH E 5 .   ? -17.702 -28.105 -10.106 1.000 40.323 0 444 HOH A O   1 ? 
HETATM 1690 O  O   . HOH E 5 .   ? 8.823   -3.367  -12.335 1.000 17.543 0 445 HOH A O   1 ? 
HETATM 1691 O  O   . HOH E 5 .   ? 8.188   -33.617 -17.569 1.000 13.353 0 446 HOH A O   1 ? 
HETATM 1692 O  O   . HOH E 5 .   ? 0.366   -11.123 6.383   1.000 40.458 0 447 HOH A O   1 ? 
HETATM 1693 O  O   . HOH E 5 .   ? -11.336 -28.839 -6.704  1.000 8.585  0 448 HOH A O   1 ? 
HETATM 1694 O  O   . HOH E 5 .   ? -1.113  -9.144  -3.175  1.000 28.399 0 449 HOH A O   1 ? 
HETATM 1695 O  O   . HOH E 5 .   ? -0.747  -28.822 -11.379 1.000 8.141  0 450 HOH A O   1 ? 
HETATM 1696 O  O   . HOH E 5 .   ? 8.113   -13.334 2.503   1.000 21.192 0 451 HOH A O   1 ? 
HETATM 1697 O  O   . HOH E 5 .   ? 27.219  -26.643 -4.015  1.000 39.829 0 452 HOH A O   1 ? 
HETATM 1698 O  O   . HOH E 5 .   ? -3.170  -34.730 -9.972  1.000 28.564 0 453 HOH A O   1 ? 
HETATM 1699 O  O   . HOH E 5 .   ? 12.758  -32.977 -23.563 1.000 29.568 0 454 HOH A O   1 ? 
HETATM 1700 O  O   . HOH E 5 .   ? -11.517 -35.716 -3.647  1.000 26.388 0 455 HOH A O   1 ? 
HETATM 1701 O  O   . HOH E 5 .   ? -6.725  -20.355 -24.829 1.000 25.748 0 456 HOH A O   1 ? 
HETATM 1702 O  O   . HOH E 5 .   ? 8.176   -38.838 -15.438 1.000 32.720 0 457 HOH A O   1 ? 
HETATM 1703 O  O   . HOH E 5 .   ? 9.485   -34.692 -0.152  1.000 19.256 0 458 HOH A O   1 ? 
HETATM 1704 O  O   . HOH E 5 .   ? 10.702  -38.381 -8.774  1.000 29.103 0 459 HOH A O   1 ? 
HETATM 1705 O  O   . HOH E 5 .   ? 0.837   -19.563 10.749  1.000 22.380 0 460 HOH A O   1 ? 
HETATM 1706 O  O   . HOH E 5 .   ? 4.974   -23.398 -8.531  1.000 11.145 0 461 HOH A O   1 ? 
HETATM 1707 O  O   . HOH E 5 .   ? -14.627 -18.737 -2.494  1.000 29.845 0 462 HOH A O   1 ? 
HETATM 1708 O  O   . HOH E 5 .   ? 6.487   -8.243  -5.230  1.000 37.402 0 463 HOH A O   1 ? 
HETATM 1709 O  O   . HOH E 5 .   ? 5.680   -36.702 -3.211  1.000 13.566 0 464 HOH A O   1 ? 
HETATM 1710 O  O   . HOH E 5 .   ? 18.885  -17.034 -15.566 1.000 34.518 0 465 HOH A O   1 ? 
HETATM 1711 O  O   . HOH E 5 .   ? 15.185  -22.242 9.235   1.000 38.612 0 466 HOH A O   1 ? 
HETATM 1712 O  O   . HOH E 5 .   ? -8.062  -10.435 -27.571 1.000 23.899 0 467 HOH A O   1 ? 
HETATM 1713 O  O   . HOH E 5 .   ? -15.723 -20.816 6.443   1.000 11.616 0 468 HOH A O   1 ? 
HETATM 1714 O  O   . HOH E 5 .   ? -4.594  -14.368 -22.897 1.000 12.188 0 469 HOH A O   1 ? 
HETATM 1715 O  O   . HOH E 5 .   ? 4.330   -28.061 10.768  1.000 22.723 0 470 HOH A O   1 ? 
HETATM 1716 O  O   . HOH E 5 .   ? 5.531   -15.360 7.495   1.000 25.789 0 471 HOH A O   1 ? 
HETATM 1717 O  O   . HOH E 5 .   ? -8.204  -13.236 -2.505  1.000 27.310 0 472 HOH A O   1 ? 
HETATM 1718 O  O   . HOH E 5 .   ? -9.199  -20.960 -10.954 1.000 8.278  0 473 HOH A O   1 ? 
HETATM 1719 O  O   . HOH E 5 .   ? 25.597  -25.835 2.929   1.000 43.614 0 474 HOH A O   1 ? 
HETATM 1720 O  O   . HOH E 5 .   ? 8.733   -12.977 -32.734 1.000 34.525 0 475 HOH A O   1 ? 
HETATM 1721 O  O   . HOH E 5 .   ? 23.551  -19.631 4.108   1.000 26.258 0 476 HOH A O   1 ? 
HETATM 1722 O  O   . HOH E 5 .   ? -0.093  -12.838 -30.859 1.000 28.538 0 477 HOH A O   1 ? 
HETATM 1723 O  O   . HOH E 5 .   ? 7.402   -14.129 11.254  1.000 35.775 0 478 HOH A O   1 ? 
HETATM 1724 O  O   . HOH E 5 .   ? -7.350  -20.457 2.601   1.000 8.684  0 479 HOH A O   1 ? 
HETATM 1725 O  O   . HOH E 5 .   ? 2.312   -27.820 -29.009 1.000 15.593 0 480 HOH A O   1 ? 
HETATM 1726 O  O   . HOH E 5 .   ? -10.909 -23.283 -26.239 1.000 40.779 0 481 HOH A O   1 ? 
HETATM 1727 O  O   . HOH E 5 .   ? -10.848 -27.829 -19.754 1.000 23.876 0 482 HOH A O   1 ? 
HETATM 1728 O  O   . HOH E 5 .   ? 12.346  -6.539  -26.905 1.000 21.752 0 483 HOH A O   1 ? 
HETATM 1729 O  O   . HOH E 5 .   ? -2.659  -15.335 6.995   1.000 22.853 0 484 HOH A O   1 ? 
HETATM 1730 O  O   . HOH E 5 .   ? 15.338  -8.774  -18.481 1.000 18.414 0 485 HOH A O   1 ? 
HETATM 1731 O  O   . HOH E 5 .   ? -1.972  -21.542 -8.897  1.000 6.945  0 486 HOH A O   1 ? 
HETATM 1732 O  O   . HOH E 5 .   ? -8.890  -29.305 3.308   1.000 9.329  0 487 HOH A O   1 ? 
HETATM 1733 O  O   . HOH E 5 .   ? -7.893  -29.332 -3.648  1.000 8.918  0 488 HOH A O   1 ? 
HETATM 1734 O  O   . HOH E 5 .   ? 19.350  -29.575 -1.987  1.000 19.088 0 489 HOH A O   1 ? 
HETATM 1735 O  O   . HOH E 5 .   ? 8.691   -9.124  -6.534  1.000 14.524 0 490 HOH A O   1 ? 
HETATM 1736 O  O   . HOH E 5 .   ? 8.593   -35.076 -4.478  1.000 22.162 0 491 HOH A O   1 ? 
HETATM 1737 O  O   . HOH E 5 .   ? 16.149  -13.638 1.383   1.000 21.811 0 492 HOH A O   1 ? 
HETATM 1738 O  O   . HOH E 5 .   ? 5.043   -23.432 12.399  1.000 32.989 0 493 HOH A O   1 ? 
HETATM 1739 O  O   . HOH E 5 .   ? 1.937   -17.957 -32.482 1.000 24.853 0 494 HOH A O   1 ? 
HETATM 1740 O  O   . HOH E 5 .   ? 18.116  -9.755  -14.893 1.000 26.344 0 495 HOH A O   1 ? 
HETATM 1741 O  O   . HOH E 5 .   ? -12.046 -22.934 -15.134 1.000 14.148 0 496 HOH A O   1 ? 
HETATM 1742 O  O   . HOH E 5 .   ? -3.244  -26.006 -0.550  1.000 8.025  0 497 HOH A O   1 ? 
HETATM 1743 O  O   . HOH E 5 .   ? -14.960 -28.055 -17.871 1.000 36.902 0 498 HOH A O   1 ? 
HETATM 1744 O  O   . HOH E 5 .   ? -3.783  -20.545 -23.501 1.000 11.116 0 499 HOH A O   1 ? 
HETATM 1745 O  O   . HOH E 5 .   ? 8.632   -15.339 -16.762 1.000 12.002 0 500 HOH A O   1 ? 
HETATM 1746 O  O   . HOH E 5 .   ? -2.120  -8.906  -18.988 1.000 17.368 0 501 HOH A O   1 ? 
HETATM 1747 O  O   . HOH E 5 .   ? 19.617  -19.805 -11.772 1.000 16.815 0 502 HOH A O   1 ? 
HETATM 1748 O  O   . HOH E 5 .   ? -15.338 -18.468 -10.458 1.000 22.030 0 503 HOH A O   1 ? 
HETATM 1749 O  O   . HOH E 5 .   ? 8.683   -0.107  -14.329 1.000 9.718  0 504 HOH A O   1 ? 
HETATM 1750 O  O   . HOH E 5 .   ? -1.126  -28.933 -0.587  1.000 10.953 0 505 HOH A O   1 ? 
HETATM 1751 O  O   . HOH E 5 .   ? 19.802  -25.177 7.136   1.000 16.224 0 506 HOH A O   1 ? 
HETATM 1752 O  O   . HOH E 5 .   ? 2.331   -8.529  -23.936 1.000 26.518 0 507 HOH A O   1 ? 
HETATM 1753 O  O   . HOH E 5 .   ? 18.558  -19.552 -19.640 1.000 25.879 0 508 HOH A O   1 ? 
HETATM 1754 O  O   . HOH E 5 .   ? 1.760   -11.507 -14.331 1.000 13.598 0 509 HOH A O   1 ? 
HETATM 1755 O  O   . HOH E 5 .   ? 16.438  -26.252 4.312   1.000 18.222 0 510 HOH A O   1 ? 
HETATM 1756 O  O   . HOH E 5 .   ? -8.336  -28.470 9.174   1.000 25.623 0 511 HOH A O   1 ? 
HETATM 1757 O  O   . HOH E 5 .   ? 20.301  -22.928 -16.416 1.000 38.024 0 512 HOH A O   1 ? 
HETATM 1758 O  O   . HOH E 5 .   ? -9.920  -11.826 -17.209 1.000 27.791 0 513 HOH A O   1 ? 
HETATM 1759 O  O   . HOH E 5 .   ? -5.664  -18.736 1.199   1.000 9.008  0 514 HOH A O   1 ? 
HETATM 1760 O  O   . HOH E 5 .   ? -2.585  -26.006 -28.294 1.000 13.673 0 515 HOH A O   1 ? 
HETATM 1761 O  O   . HOH E 5 .   ? 0.097   -8.724  -30.496 1.000 17.668 0 516 HOH A O   1 ? 
HETATM 1762 O  O   . HOH E 5 .   ? -5.571  -30.511 -4.520  1.000 10.277 0 517 HOH A O   1 ? 
HETATM 1763 O  O   . HOH E 5 .   ? 12.917  -0.046  -13.827 1.000 22.162 0 518 HOH A O   1 ? 
HETATM 1764 O  O   . HOH E 5 .   ? 4.101   -8.097  -8.973  1.000 41.843 0 519 HOH A O   1 ? 
HETATM 1765 O  O   . HOH E 5 .   ? 9.714   -13.213 -28.074 1.000 14.227 0 520 HOH A O   1 ? 
HETATM 1766 O  O   . HOH E 5 .   ? 18.098  -26.088 -18.796 1.000 23.431 0 521 HOH A O   1 ? 
HETATM 1767 O  O   . HOH E 5 .   ? -8.843  -15.591 0.379   1.000 14.414 0 522 HOH A O   1 ? 
HETATM 1768 O  O   . HOH E 5 .   ? 7.167   -22.227 -25.625 1.000 11.744 0 523 HOH A O   1 ? 
HETATM 1769 O  O   . HOH E 5 .   ? 23.204  -29.288 2.940   1.000 21.935 0 524 HOH A O   1 ? 
HETATM 1770 O  O   . HOH E 5 .   ? -9.713  -13.478 -27.860 1.000 27.831 0 525 HOH A O   1 ? 
HETATM 1771 O  O   . HOH E 5 .   ? -4.837  -12.344 -33.126 1.000 40.335 0 526 HOH A O   1 ? 
HETATM 1772 O  O   . HOH E 5 .   ? -9.358  -23.099 4.393   1.000 10.257 0 527 HOH A O   1 ? 
HETATM 1773 O  O   . HOH E 5 .   ? 12.441  -34.898 -15.677 1.000 24.515 0 528 HOH A O   1 ? 
HETATM 1774 O  O   . HOH E 5 .   ? -3.816  -20.155 -7.227  1.000 8.341  0 529 HOH A O   1 ? 
HETATM 1775 O  O   . HOH E 5 .   ? 13.487  -6.834  -10.408 1.000 9.855  0 530 HOH A O   1 ? 
HETATM 1776 O  O   . HOH E 5 .   ? 15.165  -26.740 -23.836 1.000 27.729 0 531 HOH A O   1 ? 
HETATM 1777 O  O   . HOH E 5 .   ? 6.829   -14.100 4.659   1.000 24.232 0 532 HOH A O   1 ? 
HETATM 1778 O  O   . HOH E 5 .   ? 3.556   -21.372 11.392  1.000 18.346 0 533 HOH A O   1 ? 
HETATM 1779 O  O   . HOH E 5 .   ? -4.487  -15.892 -36.133 1.000 43.448 0 534 HOH A O   1 ? 
HETATM 1780 O  O   . HOH E 5 .   ? -0.719  -33.846 -10.934 1.000 16.816 0 535 HOH A O   1 ? 
HETATM 1781 O  O   . HOH E 5 .   ? 0.813   -18.007 -17.324 1.000 10.589 0 536 HOH A O   1 ? 
HETATM 1782 O  O   . HOH E 5 .   ? -12.630 -17.681 -3.272  1.000 33.540 0 537 HOH A O   1 ? 
HETATM 1783 O  O   . HOH E 5 .   ? -0.118  -14.233 6.849   1.000 29.504 0 538 HOH A O   1 ? 
HETATM 1784 O  O   . HOH E 5 .   ? -12.200 -33.666 -11.983 1.000 22.631 0 539 HOH A O   1 ? 
HETATM 1785 O  O   . HOH E 5 .   ? -3.005  -23.989 -30.040 1.000 18.420 0 540 HOH A O   1 ? 
HETATM 1786 O  O   . HOH E 5 .   ? 10.826  -12.196 -30.490 1.000 32.997 0 541 HOH A O   1 ? 
HETATM 1787 O  O   . HOH E 5 .   ? -4.217  -28.513 -2.587  1.000 10.574 0 542 HOH A O   1 ? 
HETATM 1788 O  O   . HOH E 5 .   ? -13.203 -25.204 -21.908 1.000 30.178 0 543 HOH A O   1 ? 
HETATM 1789 O  O   . HOH E 5 .   ? 10.763  -4.335  -8.489  1.000 22.296 0 544 HOH A O   1 ? 
HETATM 1790 O  O   . HOH E 5 .   ? 3.254   -25.553 -30.848 1.000 20.413 0 545 HOH A O   1 ? 
HETATM 1791 O  O   . HOH E 5 .   ? 6.540   -35.984 -8.389  1.000 17.351 0 546 HOH A O   1 ? 
HETATM 1792 O  O   . HOH E 5 .   ? -4.673  -17.949 -23.833 1.000 13.538 0 547 HOH A O   1 ? 
HETATM 1793 O  O   . HOH E 5 .   ? -15.829 -28.868 -13.513 1.000 19.887 0 548 HOH A O   1 ? 
HETATM 1794 O  O   . HOH E 5 .   ? 5.522   -6.997  -1.839  1.000 38.213 0 549 HOH A O   1 ? 
HETATM 1795 O  O   . HOH E 5 .   ? 1.242   -34.869 -17.597 1.000 28.703 0 550 HOH A O   1 ? 
HETATM 1796 O  O   . HOH E 5 .   ? 0.656   -8.635  -25.936 1.000 25.829 0 551 HOH A O   1 ? 
HETATM 1797 O  O   . HOH E 5 .   ? 19.069  -13.890 -16.426 1.000 19.333 0 552 HOH A O   1 ? 
HETATM 1798 O  O   . HOH E 5 .   ? 17.363  -8.987  -9.338  1.000 17.955 0 553 HOH A O   1 ? 
HETATM 1799 O  O   . HOH E 5 .   ? 2.745   -8.587  -27.603 1.000 17.618 0 554 HOH A O   1 ? 
HETATM 1800 O  O   . HOH E 5 .   ? -14.723 -22.928 7.965   1.000 10.431 0 555 HOH A O   1 ? 
HETATM 1801 O  O   . HOH E 5 .   ? 5.740   -6.883  1.205   1.000 22.378 0 556 HOH A O   1 ? 
HETATM 1802 O  O   . HOH E 5 .   ? 9.085   -17.115 -34.039 1.000 27.238 0 557 HOH A O   1 ? 
HETATM 1803 O  O   . HOH E 5 .   ? 19.651  -26.191 -13.408 1.000 24.251 0 558 HOH A O   1 ? 
HETATM 1804 O  O   . HOH E 5 .   ? 10.022  -25.563 -29.717 1.000 25.301 0 559 HOH A O   1 ? 
HETATM 1805 O  O   . HOH E 5 .   ? 11.309  -16.383 -16.406 1.000 8.871  0 560 HOH A O   1 ? 
HETATM 1806 O  O   . HOH E 5 .   ? -14.880 -16.474 -19.711 1.000 26.892 0 561 HOH A O   1 ? 
HETATM 1807 O  O   . HOH E 5 .   ? -7.979  -34.324 -10.678 1.000 36.491 0 562 HOH A O   1 ? 
HETATM 1808 O  O   . HOH E 5 .   ? 10.432  -27.896 -27.601 1.000 26.980 0 563 HOH A O   1 ? 
HETATM 1809 O  O   . HOH E 5 .   ? -8.144  -11.030 -14.637 1.000 29.102 0 564 HOH A O   1 ? 
HETATM 1810 O  O   . HOH E 5 .   ? -12.450 -12.320 -23.462 1.000 25.360 0 565 HOH A O   1 ? 
HETATM 1811 O  O   . HOH E 5 .   ? 13.146  -29.298 9.537   1.000 30.575 0 566 HOH A O   1 ? 
HETATM 1812 O  O   . HOH E 5 .   ? -8.131  -28.908 -22.033 1.000 35.377 0 567 HOH A O   1 ? 
HETATM 1813 O  O   . HOH E 5 .   ? 10.092  -23.797 -32.201 1.000 25.133 0 568 HOH A O   1 ? 
HETATM 1814 O  O   . HOH E 5 .   ? -14.172 -32.443 -4.493  1.000 22.581 0 569 HOH A O   1 ? 
HETATM 1815 O  O   . HOH E 5 .   ? 12.784  -33.311 -6.730  1.000 22.938 0 570 HOH A O   1 ? 
HETATM 1816 O  O   . HOH E 5 .   ? 1.611   -35.471 -14.305 1.000 21.700 0 571 HOH A O   1 ? 
HETATM 1817 O  O   . HOH E 5 .   ? -4.428  -36.552 -20.094 1.000 34.506 0 572 HOH A O   1 ? 
HETATM 1818 O  O   . HOH E 5 .   ? 2.429   -35.539 -23.075 1.000 26.378 0 573 HOH A O   1 ? 
HETATM 1819 O  O   . HOH E 5 .   ? -16.972 -24.090 -8.853  1.000 45.048 0 574 HOH A O   1 ? 
HETATM 1820 O  O   . HOH E 5 .   ? 8.910   -25.358 -26.573 1.000 36.504 0 575 HOH A O   1 ? 
HETATM 1821 O  O   . HOH E 5 .   ? 16.349  -32.776 -10.461 1.000 27.802 0 576 HOH A O   1 ? 
HETATM 1822 O  O   . HOH E 5 .   ? 10.248  -34.072 -23.493 1.000 30.650 0 577 HOH A O   1 ? 
HETATM 1823 O  O   . HOH E 5 .   ? 10.587  -27.397 -19.939 1.000 16.615 0 578 HOH A O   1 ? 
HETATM 1824 O  O   . HOH E 5 .   ? 7.397   -36.979 -6.042  1.000 22.802 0 579 HOH A O   1 ? 
HETATM 1825 O  O   . HOH E 5 .   ? 2.695   -35.104 -5.714  1.000 21.074 0 580 HOH A O   1 ? 
HETATM 1826 O  O   . HOH E 5 .   ? -9.379  -19.255 6.813   1.000 25.327 0 581 HOH A O   1 ? 
HETATM 1827 O  O   . HOH E 5 .   ? 6.144   -6.681  -11.958 1.000 30.068 0 582 HOH A O   1 ? 
HETATM 1828 O  O   . HOH E 5 .   ? -3.785  -10.656 -17.469 1.000 24.407 0 583 HOH A O   1 ? 
HETATM 1829 O  O   . HOH E 5 .   ? 20.811  -15.711 -13.721 1.000 41.056 0 584 HOH A O   1 ? 
HETATM 1830 O  O   . HOH E 5 .   ? -16.637 -26.639 -1.212  1.000 24.269 0 585 HOH A O   1 ? 
HETATM 1831 O  O   . HOH E 5 .   ? -0.243  -12.003 -9.855  1.000 21.170 0 586 HOH A O   1 ? 
HETATM 1832 O  O   . HOH E 5 .   ? 14.373  -3.380  -16.990 1.000 18.502 0 587 HOH A O   1 ? 
HETATM 1833 O  O   . HOH E 5 .   ? 17.220  -10.204 -17.186 1.000 22.816 0 588 HOH A O   1 ? 
HETATM 1834 O  O   . HOH E 5 .   ? 17.189  -30.749 -20.473 1.000 38.114 0 589 HOH A O   1 ? 
HETATM 1835 O  O   . HOH E 5 .   ? 20.006  -22.900 -11.895 1.000 15.725 0 590 HOH A O   1 ? 
HETATM 1836 O  O   . HOH E 5 .   ? 17.792  -14.211 -20.238 1.000 30.979 0 591 HOH A O   1 ? 
HETATM 1837 O  O   . HOH E 5 .   ? 11.305  -19.955 -27.590 1.000 38.842 0 592 HOH A O   1 ? 
HETATM 1838 O  O   . HOH E 5 .   ? 8.031   -12.356 6.151   1.000 27.339 0 593 HOH A O   1 ? 
HETATM 1839 O  O   . HOH E 5 .   ? 11.496  -34.295 -19.957 1.000 35.861 0 594 HOH A O   1 ? 
HETATM 1840 O  O   . HOH E 5 .   ? 4.238   -8.172  6.682   1.000 43.301 0 595 HOH A O   1 ? 
HETATM 1841 O  O   . HOH E 5 .   ? -5.542  -8.789  -23.711 1.000 25.448 0 596 HOH A O   1 ? 
HETATM 1842 O  O   . HOH E 5 .   ? 8.046   -38.297 -11.100 1.000 22.453 0 597 HOH A O   1 ? 
HETATM 1843 O  O   . HOH E 5 .   ? 17.021  -15.122 -23.492 1.000 24.134 0 598 HOH A O   1 ? 
HETATM 1844 O  O   . HOH E 5 .   ? 17.187  -11.971 -3.599  1.000 27.967 0 599 HOH A O   1 ? 
HETATM 1845 O  O   . HOH E 5 .   ? 23.557  -22.996 -9.137  1.000 39.308 0 600 HOH A O   1 ? 
HETATM 1846 O  O   . HOH E 5 .   ? -15.670 -14.019 -19.703 1.000 40.589 0 601 HOH A O   1 ? 
HETATM 1847 O  O   . HOH E 5 .   ? 12.920  -13.313 3.976   1.000 20.326 0 602 HOH A O   1 ? 
HETATM 1848 O  O   . HOH E 5 .   ? 22.457  -11.081 -10.147 1.000 20.857 0 603 HOH A O   1 ? 
HETATM 1849 O  O   . HOH E 5 .   ? 5.452   -36.223 -0.496  1.000 12.216 0 604 HOH A O   1 ? 
HETATM 1850 O  O   . HOH E 5 .   ? 0.417   -10.886 -16.832 1.000 23.804 0 605 HOH A O   1 ? 
HETATM 1851 O  O   . HOH E 5 .   ? 1.387   -9.255  -18.612 1.000 28.066 0 606 HOH A O   1 ? 
HETATM 1852 O  O   . HOH E 5 .   ? 12.947  -19.143 -25.553 1.000 32.409 0 607 HOH A O   1 ? 
HETATM 1853 O  O   . HOH E 5 .   ? 19.406  -16.260 -18.325 1.000 33.491 0 608 HOH A O   1 ? 
HETATM 1854 O  O   . HOH E 5 .   ? 1.835   -23.804 -31.708 1.000 31.884 0 609 HOH A O   1 ? 
HETATM 1855 O  O   . HOH E 5 .   ? 18.958  -19.611 -16.434 1.000 43.241 0 610 HOH A O   1 ? 
HETATM 1856 O  O   . HOH E 5 .   ? -10.626 -20.642 5.234   1.000 23.644 0 611 HOH A O   1 ? 
HETATM 1857 O  O   . HOH E 5 .   ? 23.387  -28.610 -4.195  1.000 37.995 0 612 HOH A O   1 ? 
HETATM 1858 O  O   . HOH E 5 .   ? 14.400  -29.078 3.245   1.000 32.645 0 613 HOH A O   1 ? 
HETATM 1859 O  O   . HOH E 5 .   ? -5.432  -6.766  -10.089 1.000 44.054 0 614 HOH A O   1 ? 
HETATM 1860 O  O   . HOH E 5 .   ? 0.591   -34.210 -15.672 1.000 42.244 0 615 HOH A O   1 ? 
HETATM 1861 O  O   . HOH E 5 .   ? 4.391   -17.357 12.945  1.000 42.401 0 616 HOH A O   1 ? 
HETATM 1862 O  O   . HOH E 5 .   ? 1.916   -15.281 8.887   1.000 38.808 0 617 HOH A O   1 ? 
HETATM 1863 O  O   . HOH E 5 .   ? 16.415  -20.979 8.749   1.000 37.902 0 618 HOH A O   1 ? 
HETATM 1864 O  O   . HOH E 5 .   ? 17.643  -7.221  -14.021 1.000 33.758 0 619 HOH A O   1 ? 
HETATM 1865 O  O   . HOH E 5 .   ? -1.418  -6.594  -25.663 1.000 28.138 0 620 HOH A O   1 ? 
HETATM 1866 O  O   . HOH E 5 .   ? -0.263  -11.092 -12.103 1.000 26.106 0 621 HOH A O   1 ? 
HETATM 1867 O  O   . HOH E 5 .   ? -4.116  -37.642 -15.877 1.000 32.560 0 622 HOH A O   1 ? 
HETATM 1868 O  O   . HOH E 5 .   ? 25.036  -27.433 -2.491  1.000 37.262 0 623 HOH A O   1 ? 
HETATM 1869 O  O   . HOH E 5 .   ? 16.145  -6.222  -19.297 1.000 26.241 0 624 HOH A O   1 ? 
HETATM 1870 O  O   . HOH E 5 .   ? -18.257 -25.423 -11.100 1.000 42.760 0 625 HOH A O   1 ? 
HETATM 1871 O  O   . HOH E 5 .   ? -17.979 -18.388 -16.320 1.000 44.630 0 626 HOH A O   1 ? 
HETATM 1872 O  O   . HOH E 5 .   ? -5.413  -11.246 -15.312 1.000 25.715 0 627 HOH A O   1 ? 
HETATM 1873 O  O   . HOH E 5 .   ? -3.755  -34.290 -21.688 1.000 46.243 0 628 HOH A O   1 ? 
HETATM 1874 O  O   . HOH E 5 .   ? -8.333  -21.434 11.177  1.000 31.620 0 629 HOH A O   1 ? 
HETATM 1875 O  O   . HOH E 5 .   ? 26.088  -26.965 0.782   1.000 50.046 0 630 HOH A O   1 ? 
HETATM 1876 O  O   . HOH E 5 .   ? 1.158   -8.624  -21.365 1.000 20.738 0 631 HOH A O   1 ? 
HETATM 1877 O  O   . HOH E 5 .   ? -0.949  -6.639  -21.804 1.000 29.550 0 632 HOH A O   1 ? 
HETATM 1878 O  O   . HOH E 5 .   ? 14.864  -9.963  -20.629 1.000 31.887 0 633 HOH A O   1 ? 
HETATM 1879 O  O   . HOH E 5 .   ? 7.680   -34.488 -20.073 1.000 30.364 0 634 HOH A O   1 ? 
HETATM 1880 O  O   . HOH E 5 .   ? 10.014  -11.984 3.336   1.000 26.111 0 635 HOH A O   1 ? 
HETATM 1881 O  O   . HOH E 5 .   ? -3.421  -15.850 9.630   1.000 31.143 0 636 HOH A O   1 ? 
HETATM 1882 O  O   . HOH E 5 .   ? 8.098   -37.937 -2.619  1.000 31.982 0 637 HOH A O   1 ? 
HETATM 1883 O  O   . HOH E 5 .   ? 7.824   -37.241 0.307   1.000 22.698 0 638 HOH A O   1 ? 
HETATM 1884 O  O   . HOH E 5 .   ? 0.658   -10.245 -7.919  1.000 31.151 0 639 HOH A O   1 ? 
HETATM 1885 O  O   . HOH E 5 .   ? -15.888 -31.514 -12.724 1.000 35.623 0 640 HOH A O   1 ? 
HETATM 1886 O  O   . HOH E 5 .   ? 3.205   -9.386  -12.992 1.000 31.443 0 641 HOH A O   1 ? 
HETATM 1887 O  O   . HOH E 5 .   ? 12.655  -9.665  -22.180 1.000 23.042 0 642 HOH A O   1 ? 
HETATM 1888 O  O   . HOH E 5 .   ? -1.422  -34.143 -17.382 1.000 39.796 0 643 HOH A O   1 ? 
HETATM 1889 O  O   . HOH E 5 .   ? 9.421   -7.777  -22.369 1.000 32.577 0 644 HOH A O   1 ? 
HETATM 1890 O  O   . HOH E 5 .   ? 15.257  -21.709 -25.422 1.000 42.796 0 645 HOH A O   1 ? 
HETATM 1891 O  O   . HOH E 5 .   ? -2.597  -34.602 -19.645 1.000 40.850 0 646 HOH A O   1 ? 
HETATM 1892 O  O   . HOH E 5 .   ? 19.254  -19.060 -14.552 1.000 46.455 0 647 HOH A O   1 ? 
HETATM 1893 O  O   . HOH E 5 .   ? -16.391 -20.948 -10.327 1.000 37.122 0 648 HOH A O   1 ? 
HETATM 1894 O  O   . HOH E 5 .   ? -14.345 -33.366 -13.800 1.000 23.423 0 649 HOH A O   1 ? 
HETATM 1895 O  O   . HOH E 5 .   ? 19.780  -30.452 0.444   1.000 32.400 0 650 HOH A O   1 ? 
HETATM 1896 O  O   . HOH E 5 .   ? -13.970 -34.808 -8.836  1.000 46.017 0 651 HOH A O   1 ? 
HETATM 1897 O  O   . HOH E 5 .   ? 5.087   -27.703 -32.198 1.000 25.288 0 652 HOH A O   1 ? 
HETATM 1898 O  O   . HOH E 5 .   ? 17.144  -11.013 -21.815 1.000 40.497 0 653 HOH A O   1 ? 
HETATM 1899 O  O   . HOH E 5 .   ? -16.057 -30.888 -2.038  1.000 37.117 0 654 HOH A O   1 ? 
HETATM 1900 O  O   . HOH E 5 .   ? 2.719   -8.337  -10.762 1.000 43.025 0 655 HOH A O   1 ? 
HETATM 1901 O  O   . HOH E 5 .   ? 16.651  -13.764 3.840   1.000 31.343 0 656 HOH A O   1 ? 
HETATM 1902 O  O   . HOH E 5 .   ? -14.691 -22.527 -14.922 1.000 25.751 0 657 HOH A O   1 ? 
HETATM 1903 O  O   . HOH E 5 .   ? 9.335   -31.677 11.578  1.000 29.321 0 658 HOH A O   1 ? 
HETATM 1904 O  O   . HOH E 5 .   ? -3.945  -9.546  -29.668 1.000 18.147 0 659 HOH A O   1 ? 
HETATM 1905 O  O   . HOH E 5 .   ? 15.918  -0.750  -17.383 1.000 35.300 0 660 HOH A O   1 ? 
HETATM 1906 O  O   . HOH E 5 .   ? -4.452  -27.954 -29.040 1.000 27.352 0 661 HOH A O   1 ? 
HETATM 1907 O  O   . HOH E 5 .   ? -16.470 -28.849 -5.610  1.000 21.506 0 662 HOH A O   1 ? 
HETATM 1908 O  O   . HOH E 5 .   ? -0.500  -27.712 -29.342 1.000 15.925 0 663 HOH A O   1 ? 
# 
