data_9AWS
# 
_entry.id   9AWS 
# 
_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   9AWS         pdb_00009aws 10.2210/pdb9aws/pdb 
WWPDB D_1000282213 ?            ?                   
# 
_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                        9AWS 
_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 275 Kelvin with benzamidine (triplicate)' 
_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 water       nat water              18.015    160 ?        ? ? ? 
# 
_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 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  
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_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 HOH 1   401 145 HOH HOH A . 
D 4 HOH 2   402 23  HOH HOH A . 
D 4 HOH 3   403 53  HOH HOH A . 
D 4 HOH 4   404 126 HOH HOH A . 
D 4 HOH 5   405 91  HOH HOH A . 
D 4 HOH 6   406 147 HOH HOH A . 
D 4 HOH 7   407 25  HOH HOH A . 
D 4 HOH 8   408 60  HOH HOH A . 
D 4 HOH 9   409 43  HOH HOH A . 
D 4 HOH 10  410 31  HOH HOH A . 
D 4 HOH 11  411 3   HOH HOH A . 
D 4 HOH 12  412 28  HOH HOH A . 
D 4 HOH 13  413 134 HOH HOH A . 
D 4 HOH 14  414 106 HOH HOH A . 
D 4 HOH 15  415 19  HOH HOH A . 
D 4 HOH 16  416 103 HOH HOH A . 
D 4 HOH 17  417 133 HOH HOH A . 
D 4 HOH 18  418 50  HOH HOH A . 
D 4 HOH 19  419 86  HOH HOH A . 
D 4 HOH 20  420 74  HOH HOH A . 
D 4 HOH 21  421 45  HOH HOH A . 
D 4 HOH 22  422 98  HOH HOH A . 
D 4 HOH 23  423 112 HOH HOH A . 
D 4 HOH 24  424 63  HOH HOH A . 
D 4 HOH 25  425 107 HOH HOH A . 
D 4 HOH 26  426 101 HOH HOH A . 
D 4 HOH 27  427 66  HOH HOH A . 
D 4 HOH 28  428 6   HOH HOH A . 
D 4 HOH 29  429 92  HOH HOH A . 
D 4 HOH 30  430 128 HOH HOH A . 
D 4 HOH 31  431 85  HOH HOH A . 
D 4 HOH 32  432 125 HOH HOH A . 
D 4 HOH 33  433 132 HOH HOH A . 
D 4 HOH 34  434 46  HOH HOH A . 
D 4 HOH 35  435 90  HOH HOH A . 
D 4 HOH 36  436 8   HOH HOH A . 
D 4 HOH 37  437 96  HOH HOH A . 
D 4 HOH 38  438 99  HOH HOH A . 
D 4 HOH 39  439 80  HOH HOH A . 
D 4 HOH 40  440 113 HOH HOH A . 
D 4 HOH 41  441 67  HOH HOH A . 
D 4 HOH 42  442 38  HOH HOH A . 
D 4 HOH 43  443 135 HOH HOH A . 
D 4 HOH 44  444 15  HOH HOH A . 
D 4 HOH 45  445 40  HOH HOH A . 
D 4 HOH 46  446 81  HOH HOH A . 
D 4 HOH 47  447 41  HOH HOH A . 
D 4 HOH 48  448 83  HOH HOH A . 
D 4 HOH 49  449 115 HOH HOH A . 
D 4 HOH 50  450 73  HOH HOH A . 
D 4 HOH 51  451 93  HOH HOH A . 
D 4 HOH 52  452 42  HOH HOH A . 
D 4 HOH 53  453 7   HOH HOH A . 
D 4 HOH 54  454 21  HOH HOH A . 
D 4 HOH 55  455 30  HOH HOH A . 
D 4 HOH 56  456 108 HOH HOH A . 
D 4 HOH 57  457 100 HOH HOH A . 
D 4 HOH 58  458 36  HOH HOH A . 
D 4 HOH 59  459 16  HOH HOH A . 
D 4 HOH 60  460 24  HOH HOH A . 
D 4 HOH 61  461 13  HOH HOH A . 
D 4 HOH 62  462 14  HOH HOH A . 
D 4 HOH 63  463 2   HOH HOH A . 
D 4 HOH 64  464 82  HOH HOH A . 
D 4 HOH 65  465 22  HOH HOH A . 
D 4 HOH 66  466 12  HOH HOH A . 
D 4 HOH 67  467 62  HOH HOH A . 
D 4 HOH 68  468 69  HOH HOH A . 
D 4 HOH 69  469 77  HOH HOH A . 
D 4 HOH 70  470 5   HOH HOH A . 
D 4 HOH 71  471 146 HOH HOH A . 
D 4 HOH 72  472 52  HOH HOH A . 
D 4 HOH 73  473 104 HOH HOH A . 
D 4 HOH 74  474 32  HOH HOH A . 
D 4 HOH 75  475 35  HOH HOH A . 
D 4 HOH 76  476 75  HOH HOH A . 
D 4 HOH 77  477 33  HOH HOH A . 
D 4 HOH 78  478 39  HOH HOH A . 
D 4 HOH 79  479 118 HOH HOH A . 
D 4 HOH 80  480 17  HOH HOH A . 
D 4 HOH 81  481 89  HOH HOH A . 
D 4 HOH 82  482 88  HOH HOH A . 
D 4 HOH 83  483 138 HOH HOH A . 
D 4 HOH 84  484 65  HOH HOH A . 
D 4 HOH 85  485 10  HOH HOH A . 
D 4 HOH 86  486 102 HOH HOH A . 
D 4 HOH 87  487 58  HOH HOH A . 
D 4 HOH 88  488 57  HOH HOH A . 
D 4 HOH 89  489 47  HOH HOH A . 
D 4 HOH 90  490 127 HOH HOH A . 
D 4 HOH 91  491 76  HOH HOH A . 
D 4 HOH 92  492 18  HOH HOH A . 
D 4 HOH 93  493 72  HOH HOH A . 
D 4 HOH 94  494 71  HOH HOH A . 
D 4 HOH 95  495 56  HOH HOH A . 
D 4 HOH 96  496 20  HOH HOH A . 
D 4 HOH 97  497 37  HOH HOH A . 
D 4 HOH 98  498 11  HOH HOH A . 
D 4 HOH 99  499 26  HOH HOH A . 
D 4 HOH 100 500 29  HOH HOH A . 
D 4 HOH 101 501 160 HOH HOH A . 
D 4 HOH 102 502 97  HOH HOH A . 
D 4 HOH 103 503 148 HOH HOH A . 
D 4 HOH 104 504 44  HOH HOH A . 
D 4 HOH 105 505 48  HOH HOH A . 
D 4 HOH 106 506 130 HOH HOH A . 
D 4 HOH 107 507 4   HOH HOH A . 
D 4 HOH 108 508 9   HOH HOH A . 
D 4 HOH 109 509 151 HOH HOH A . 
D 4 HOH 110 510 1   HOH HOH A . 
D 4 HOH 111 511 59  HOH HOH A . 
D 4 HOH 112 512 27  HOH HOH A . 
D 4 HOH 113 513 129 HOH HOH A . 
D 4 HOH 114 514 64  HOH HOH A . 
D 4 HOH 115 515 70  HOH HOH A . 
D 4 HOH 116 516 142 HOH HOH A . 
D 4 HOH 117 517 54  HOH HOH A . 
D 4 HOH 118 518 34  HOH HOH A . 
D 4 HOH 119 519 110 HOH HOH A . 
D 4 HOH 120 520 51  HOH HOH A . 
D 4 HOH 121 521 49  HOH HOH A . 
D 4 HOH 122 522 111 HOH HOH A . 
D 4 HOH 123 523 95  HOH HOH A . 
D 4 HOH 124 524 84  HOH HOH A . 
D 4 HOH 125 525 61  HOH HOH A . 
D 4 HOH 126 526 68  HOH HOH A . 
D 4 HOH 127 527 121 HOH HOH A . 
D 4 HOH 128 528 131 HOH HOH A . 
D 4 HOH 129 529 150 HOH HOH A . 
D 4 HOH 130 530 144 HOH HOH A . 
D 4 HOH 131 531 122 HOH HOH A . 
D 4 HOH 132 532 149 HOH HOH A . 
D 4 HOH 133 533 114 HOH HOH A . 
D 4 HOH 134 534 137 HOH HOH A . 
D 4 HOH 135 535 140 HOH HOH A . 
D 4 HOH 136 536 123 HOH HOH A . 
D 4 HOH 137 537 156 HOH HOH A . 
D 4 HOH 138 538 159 HOH HOH A . 
D 4 HOH 139 539 105 HOH HOH A . 
D 4 HOH 140 540 94  HOH HOH A . 
D 4 HOH 141 541 109 HOH HOH A . 
D 4 HOH 142 542 136 HOH HOH A . 
D 4 HOH 143 543 87  HOH HOH A . 
D 4 HOH 144 544 79  HOH HOH A . 
D 4 HOH 145 545 78  HOH HOH A . 
D 4 HOH 146 546 152 HOH HOH A . 
D 4 HOH 147 547 55  HOH HOH A . 
D 4 HOH 148 548 116 HOH HOH A . 
D 4 HOH 149 549 139 HOH HOH A . 
D 4 HOH 150 550 157 HOH HOH A . 
D 4 HOH 151 551 117 HOH HOH A . 
D 4 HOH 152 552 154 HOH HOH A . 
D 4 HOH 153 553 143 HOH HOH A . 
D 4 HOH 154 554 120 HOH HOH A . 
D 4 HOH 155 555 158 HOH HOH A . 
D 4 HOH 156 556 124 HOH HOH A . 
D 4 HOH 157 557 153 HOH HOH A . 
D 4 HOH 158 558 119 HOH HOH A . 
D 4 HOH 159 559 141 HOH HOH A . 
D 4 HOH 160 560 155 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         ? ? ? 5.8.0425 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? 'PROTEUM PLUS' ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? 'PROTEUM PLUS' ? ? ? .        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                     9AWS 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     54.532 
_cell.length_a_esd                 ? 
_cell.length_b                     58.820 
_cell.length_b_esd                 ? 
_cell.length_c                     67.803 
_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                         9AWS 
_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                   9AWS 
_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             2.33 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          47.23 
_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                     275 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'Bruker PHOTON II' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-11-08 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.54184 
_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 X8 PROTEUM' 
_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                                       9AWS 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.497 
_reflns.d_resolution_low                               24.195 
_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                                     34873 
_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                           97.24 
_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                          4.780 
_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                                   0.714 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.5 
_reflns_shell.d_res_low                                     24.18 
_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                             1625 
_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                                  0.714 
_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]                            0.136 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            0.681 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            -0.817 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               16.182 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.941 
_refine.correlation_coeff_Fo_to_Fc_free          0.928 
_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                                 9AWS 
_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                            1.497 
_refine.ls_d_res_low                             24.195 
_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                     34873 
_refine.ls_number_reflns_R_free                  1625 
_refine.ls_number_reflns_R_work                  33248 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    97.269 
_refine.ls_percent_reflns_R_free                 4.660 
_refine.ls_R_factor_all                          0.254 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2852 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2523 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      0.229 
_refine.ls_wR_factor_R_work                      0.196 
_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                       0.102 
_refine.pdbx_overall_ESU_R_Free                  0.102 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             3.013 
_refine.overall_SU_ML                            0.097 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    0.9209 
_refine.pdbx_average_fsc_free                    0.9071 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.497 
_refine_hist.d_res_low                        24.195 
_refine_hist.number_atoms_solvent             160 
_refine_hist.number_atoms_total               1799 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1629 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         10 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.008  0.012  1669 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1540 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.604  1.758  2263 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.560  1.726  3563 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.132  5.000  222  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 9.199  5.000  3    ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.881  5.000  1    ? r_dihedral_angle_other_2_deg   ? ? 
'X-RAY DIFFRACTION' ? 12.736 10.000 269  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.113 10.000 58   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.075  0.200  254  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  1978 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  366  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.207  0.200  277  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.196  0.200  1348 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.172  0.200  832  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.084  0.200  921  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.342  0.200  100  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.074  0.200  1    ? r_symmetry_xyhbond_nbd_other   ? ? 
'X-RAY DIFFRACTION' ? 0.152  0.200  5    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.171  0.200  6    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.252  0.200  20   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.230  0.200  10   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.585  1.569  891  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.583  1.568  891  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.424  2.818  1112 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.423  2.818  1113 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.541  1.778  778  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.540  1.777  779  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.909  3.135  1151 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.909  3.135  1151 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.567  17.231 1845 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.391  16.387 1819 ? 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' 1.497 1.535  2587 . 122 2207 90.0271  . 0.557 . . 0.557 . . . . . 0.540 . 20 . 0.789 0.765 0.542 
'X-RAY DIFFRACTION' 1.535 1.577  2562 . 116 2272 93.2084  . 0.512 . . 0.510 . . . . . 0.504 . 20 . 0.794 0.779 0.549 
'X-RAY DIFFRACTION' 1.577 1.623  2462 . 112 2230 95.1259  . 0.443 . . 0.443 . . . . . 0.434 . 20 . 0.837 0.861 0.435 
'X-RAY DIFFRACTION' 1.623 1.673  2404 . 118 2228 97.5874  . 0.401 . . 0.399 . . . . . 0.390 . 20 . 0.849 0.800 0.436 
'X-RAY DIFFRACTION' 1.673 1.727  2321 . 117 2198 99.7415  . 0.348 . . 0.349 . . . . . 0.340 . 20 . 0.895 0.916 0.333 
'X-RAY DIFFRACTION' 1.727 1.787  2274 . 107 2161 99.7361  . 0.316 . . 0.316 . . . . . 0.303 . 20 . 0.920 0.915 0.321 
'X-RAY DIFFRACTION' 1.787 1.855  2168 . 88  2075 99.7694  . 0.285 . . 0.286 . . . . . 0.264 . 20 . 0.940 0.949 0.265 
'X-RAY DIFFRACTION' 1.855 1.930  2093 . 96  1980 99.1878  . 0.259 . . 0.256 . . . . . 0.218 . 20 . 0.956 0.934 0.311 
'X-RAY DIFFRACTION' 1.930 2.015  2030 . 86  1922 98.9163  . 0.232 . . 0.229 . . . . . 0.189 . 20 . 0.966 0.937 0.280 
'X-RAY DIFFRACTION' 2.015 2.113  1940 . 75  1840 98.7113  . 0.207 . . 0.204 . . . . . 0.161 . 20 . 0.973 0.953 0.273 
'X-RAY DIFFRACTION' 2.113 2.226  1835 . 82  1742 99.4005  . 0.184 . . 0.181 . . . . . 0.144 . 20 . 0.979 0.967 0.247 
'X-RAY DIFFRACTION' 2.226 2.360  1778 . 89  1670 98.9314  . 0.191 . . 0.188 . . . . . 0.146 . 20 . 0.977 0.967 0.257 
'X-RAY DIFFRACTION' 2.360 2.521  1635 . 66  1517 96.8196  . 0.210 . . 0.208 . . . . . 0.159 . 20 . 0.977 0.963 0.254 
'X-RAY DIFFRACTION' 2.521 2.720  1557 . 57  1437 95.9538  . 0.231 . . 0.227 . . . . . 0.172 . 20 . 0.972 0.939 0.331 
'X-RAY DIFFRACTION' 2.720 2.976  1420 . 62  1300 95.9155  . 0.223 . . 0.222 . . . . . 0.173 . 20 . 0.975 0.968 0.243 
'X-RAY DIFFRACTION' 2.976 3.321  1301 . 50  1201 96.1568  . 0.181 . . 0.178 . . . . . 0.149 . 20 . 0.981 0.972 0.240 
'X-RAY DIFFRACTION' 3.321 3.823  1168 . 62  1091 98.7158  . 0.173 . . 0.173 . . . . . 0.154 . 20 . 0.982 0.981 0.166 
'X-RAY DIFFRACTION' 3.823 4.654  992  . 45  945  99.7984  . 0.156 . . 0.156 . . . . . 0.149 . 20 . 0.988 0.990 0.164 
'X-RAY DIFFRACTION' 4.654 6.463  806  . 49  757  100.0000 . 0.167 . . 0.164 . . . . . 0.163 . 20 . 0.984 0.982 0.202 
'X-RAY DIFFRACTION' 6.463 24.195 505  . 26  475  99.2079  . 0.207 . . 0.201 . . . . . 0.212 . 20 . 0.974 0.936 0.338 
# 
_struct.entry_id                     9AWS 
_struct.title                        'Crystal structure of trypsin at 275 Kelvin with benzamidine (triplicate)' 
_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        9AWS 
_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 ? 
# 
_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              9AWS 
_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_and_software_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 
# 
_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]         1.0 
_pdbx_struct_oper_list.matrix[1][2]         0.0 
_pdbx_struct_oper_list.matrix[1][3]         0.0 
_pdbx_struct_oper_list.vector[1]            0.0 
_pdbx_struct_oper_list.matrix[2][1]         0.0 
_pdbx_struct_oper_list.matrix[2][2]         1.0 
_pdbx_struct_oper_list.matrix[2][3]         0.0 
_pdbx_struct_oper_list.vector[2]            0.0 
_pdbx_struct_oper_list.matrix[3][1]         0.0 
_pdbx_struct_oper_list.matrix[3][2]         0.0 
_pdbx_struct_oper_list.matrix[3][3]         1.0 
_pdbx_struct_oper_list.vector[3]            0.0 
# 
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 ? ASN A 223 ? TYR A 212 ASN A 223 1 ? 12 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 7   SG  ? ? ? 1_555 A CYS 137 SG ? ? A CYS 7   A CYS 137 1_555 ? ? ? ? ? ? ? 1.993 ? ? 
disulf2 disulf ? ? A CYS 25  SG  ? ? ? 1_555 A CYS 41  SG ? ? A CYS 25  A CYS 41  1_555 ? ? ? ? ? ? ? 2.068 ? ? 
disulf3 disulf ? ? A CYS 109 SG  ? ? ? 1_555 A CYS 210 SG ? ? A CYS 109 A CYS 210 1_555 ? ? ? ? ? ? ? 2.095 ? ? 
disulf4 disulf ? ? A CYS 116 SG  ? ? ? 1_555 A CYS 183 SG ? ? A CYS 116 A CYS 183 1_555 ? ? ? ? ? ? ? 1.983 ? ? 
disulf5 disulf ? ? A CYS 148 SG  ? ? ? 1_555 A CYS 162 SG ? ? A CYS 148 A CYS 162 1_555 ? ? ? ? ? ? ? 1.957 ? ? 
disulf6 disulf ? ? A CYS 173 SG  ? ? ? 1_555 A CYS 197 SG ? ? A CYS 173 A CYS 197 1_555 ? ? ? ? ? ? ? 1.996 ? ? 
metalc1 metalc ? ? A GLU 52  OE1 ? ? ? 1_555 B CA  .   CA ? ? A GLU 52  A CA  301 1_555 ? ? ? ? ? ? ? 2.233 ? ? 
metalc2 metalc ? ? A ASN 54  O   ? ? ? 1_555 B CA  .   CA ? ? A ASN 54  A CA  301 1_555 ? ? ? ? ? ? ? 2.210 ? ? 
metalc3 metalc ? ? A VAL 57  O   ? ? ? 1_555 B CA  .   CA ? ? A VAL 57  A CA  301 1_555 ? ? ? ? ? ? ? 2.249 ? ? 
metalc4 metalc ? ? A GLU 62  OE2 ? ? ? 1_555 B CA  .   CA ? ? A GLU 62  A CA  301 1_555 ? ? ? ? ? ? ? 2.461 ? ? 
metalc5 metalc ? ? B CA  .   CA  ? ? ? 1_555 D HOH .   O  ? ? A CA  301 A HOH 402 1_555 ? ? ? ? ? ? ? 2.403 ? ? 
metalc6 metalc ? ? B CA  .   CA  ? ? ? 1_555 D HOH .   O  ? ? A CA  301 A HOH 492 1_555 ? ? ? ? ? ? ? 2.335 ? ? 
# 
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 89.9  ? 
2  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57  ? 1_555 166.4 ? 
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 82.6  ? 
4  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 102.4 ? 
5  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 157.4 ? 
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 88.5  ? 
7  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 402 ? 1_555 86.4  ? 
8  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 402 ? 1_555 88.3  ? 
9  O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 402 ? 1_555 104.6 ? 
10 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 402 ? 1_555 73.9  ? 
11 OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 492 ? 1_555 83.3  ? 
12 O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 492 ? 1_555 101.4 ? 
13 O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 492 ? 1_555 87.1  ? 
14 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 492 ? 1_555 98.8  ? 
15 O   ? D HOH .  ? A HOH 402 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 492 ? 1_555 165.8 ? 
# 
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 GLN A 63  ? O GLN A 63  N LEU A 50  ? N LEU A 50  
AA2 6 7 O GLN A 47  ? O GLN A 47  N ASN A 19  ? N ASN A 19  
# 
_pdbx_entry_details.entry_id                   9AWS 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     406 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     425 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   4_445 
_pdbx_validate_symm_contact.dist              2.19 
# 
_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             -118.48 
_pdbx_validate_torsion.psi             -77.14 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       560 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.35 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
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 
HIS N    N  N N 155 
HIS CA   C  N S 156 
HIS C    C  N N 157 
HIS O    O  N N 158 
HIS CB   C  N N 159 
HIS CG   C  Y N 160 
HIS ND1  N  Y N 161 
HIS CD2  C  Y N 162 
HIS CE1  C  Y N 163 
HIS NE2  N  Y N 164 
HIS OXT  O  N N 165 
HIS H    H  N N 166 
HIS H2   H  N N 167 
HIS HA   H  N N 168 
HIS HB2  H  N N 169 
HIS HB3  H  N N 170 
HIS HD1  H  N N 171 
HIS HD2  H  N N 172 
HIS HE1  H  N N 173 
HIS HE2  H  N N 174 
HIS HXT  H  N N 175 
HOH O    O  N N 176 
HOH H1   H  N N 177 
HOH H2   H  N N 178 
ILE N    N  N N 179 
ILE CA   C  N S 180 
ILE C    C  N N 181 
ILE O    O  N N 182 
ILE CB   C  N S 183 
ILE CG1  C  N N 184 
ILE CG2  C  N N 185 
ILE CD1  C  N N 186 
ILE OXT  O  N N 187 
ILE H    H  N N 188 
ILE H2   H  N N 189 
ILE HA   H  N N 190 
ILE HB   H  N N 191 
ILE HG12 H  N N 192 
ILE HG13 H  N N 193 
ILE HG21 H  N N 194 
ILE HG22 H  N N 195 
ILE HG23 H  N N 196 
ILE HD11 H  N N 197 
ILE HD12 H  N N 198 
ILE HD13 H  N N 199 
ILE HXT  H  N N 200 
LEU N    N  N N 201 
LEU CA   C  N S 202 
LEU C    C  N N 203 
LEU O    O  N N 204 
LEU CB   C  N N 205 
LEU CG   C  N N 206 
LEU CD1  C  N N 207 
LEU CD2  C  N N 208 
LEU OXT  O  N N 209 
LEU H    H  N N 210 
LEU H2   H  N N 211 
LEU HA   H  N N 212 
LEU HB2  H  N N 213 
LEU HB3  H  N N 214 
LEU HG   H  N N 215 
LEU HD11 H  N N 216 
LEU HD12 H  N N 217 
LEU HD13 H  N N 218 
LEU HD21 H  N N 219 
LEU HD22 H  N N 220 
LEU HD23 H  N N 221 
LEU HXT  H  N N 222 
LYS N    N  N N 223 
LYS CA   C  N S 224 
LYS C    C  N N 225 
LYS O    O  N N 226 
LYS CB   C  N N 227 
LYS CG   C  N N 228 
LYS CD   C  N N 229 
LYS CE   C  N N 230 
LYS NZ   N  N N 231 
LYS OXT  O  N N 232 
LYS H    H  N N 233 
LYS H2   H  N N 234 
LYS HA   H  N N 235 
LYS HB2  H  N N 236 
LYS HB3  H  N N 237 
LYS HG2  H  N N 238 
LYS HG3  H  N N 239 
LYS HD2  H  N N 240 
LYS HD3  H  N N 241 
LYS HE2  H  N N 242 
LYS HE3  H  N N 243 
LYS HZ1  H  N N 244 
LYS HZ2  H  N N 245 
LYS HZ3  H  N N 246 
LYS HXT  H  N N 247 
MET N    N  N N 248 
MET CA   C  N S 249 
MET C    C  N N 250 
MET O    O  N N 251 
MET CB   C  N N 252 
MET CG   C  N N 253 
MET SD   S  N N 254 
MET CE   C  N N 255 
MET OXT  O  N N 256 
MET H    H  N N 257 
MET H2   H  N N 258 
MET HA   H  N N 259 
MET HB2  H  N N 260 
MET HB3  H  N N 261 
MET HG2  H  N N 262 
MET HG3  H  N N 263 
MET HE1  H  N N 264 
MET HE2  H  N N 265 
MET HE3  H  N N 266 
MET HXT  H  N N 267 
PHE N    N  N N 268 
PHE CA   C  N S 269 
PHE C    C  N N 270 
PHE O    O  N N 271 
PHE CB   C  N N 272 
PHE CG   C  Y N 273 
PHE CD1  C  Y N 274 
PHE CD2  C  Y N 275 
PHE CE1  C  Y N 276 
PHE CE2  C  Y N 277 
PHE CZ   C  Y N 278 
PHE OXT  O  N N 279 
PHE H    H  N N 280 
PHE H2   H  N N 281 
PHE HA   H  N N 282 
PHE HB2  H  N N 283 
PHE HB3  H  N N 284 
PHE HD1  H  N N 285 
PHE HD2  H  N N 286 
PHE HE1  H  N N 287 
PHE HE2  H  N N 288 
PHE HZ   H  N N 289 
PHE HXT  H  N N 290 
PRO N    N  N N 291 
PRO CA   C  N S 292 
PRO C    C  N N 293 
PRO O    O  N N 294 
PRO CB   C  N N 295 
PRO CG   C  N N 296 
PRO CD   C  N N 297 
PRO OXT  O  N N 298 
PRO H    H  N N 299 
PRO HA   H  N N 300 
PRO HB2  H  N N 301 
PRO HB3  H  N N 302 
PRO HG2  H  N N 303 
PRO HG3  H  N N 304 
PRO HD2  H  N N 305 
PRO HD3  H  N N 306 
PRO HXT  H  N N 307 
SER N    N  N N 308 
SER CA   C  N S 309 
SER C    C  N N 310 
SER O    O  N N 311 
SER CB   C  N N 312 
SER OG   O  N N 313 
SER OXT  O  N N 314 
SER H    H  N N 315 
SER H2   H  N N 316 
SER HA   H  N N 317 
SER HB2  H  N N 318 
SER HB3  H  N N 319 
SER HG   H  N N 320 
SER HXT  H  N N 321 
THR N    N  N N 322 
THR CA   C  N S 323 
THR C    C  N N 324 
THR O    O  N N 325 
THR CB   C  N R 326 
THR OG1  O  N N 327 
THR CG2  C  N N 328 
THR OXT  O  N N 329 
THR H    H  N N 330 
THR H2   H  N N 331 
THR HA   H  N N 332 
THR HB   H  N N 333 
THR HG1  H  N N 334 
THR HG21 H  N N 335 
THR HG22 H  N N 336 
THR HG23 H  N N 337 
THR HXT  H  N N 338 
TRP N    N  N N 339 
TRP CA   C  N S 340 
TRP C    C  N N 341 
TRP O    O  N N 342 
TRP CB   C  N N 343 
TRP CG   C  Y N 344 
TRP CD1  C  Y N 345 
TRP CD2  C  Y N 346 
TRP NE1  N  Y N 347 
TRP CE2  C  Y N 348 
TRP CE3  C  Y N 349 
TRP CZ2  C  Y N 350 
TRP CZ3  C  Y N 351 
TRP CH2  C  Y N 352 
TRP OXT  O  N N 353 
TRP H    H  N N 354 
TRP H2   H  N N 355 
TRP HA   H  N N 356 
TRP HB2  H  N N 357 
TRP HB3  H  N N 358 
TRP HD1  H  N N 359 
TRP HE1  H  N N 360 
TRP HE3  H  N N 361 
TRP HZ2  H  N N 362 
TRP HZ3  H  N N 363 
TRP HH2  H  N N 364 
TRP HXT  H  N N 365 
TYR N    N  N N 366 
TYR CA   C  N S 367 
TYR C    C  N N 368 
TYR O    O  N N 369 
TYR CB   C  N N 370 
TYR CG   C  Y N 371 
TYR CD1  C  Y N 372 
TYR CD2  C  Y N 373 
TYR CE1  C  Y N 374 
TYR CE2  C  Y N 375 
TYR CZ   C  Y N 376 
TYR OH   O  N N 377 
TYR OXT  O  N N 378 
TYR H    H  N N 379 
TYR H2   H  N N 380 
TYR HA   H  N N 381 
TYR HB2  H  N N 382 
TYR HB3  H  N N 383 
TYR HD1  H  N N 384 
TYR HD2  H  N N 385 
TYR HE1  H  N N 386 
TYR HE2  H  N N 387 
TYR HH   H  N N 388 
TYR HXT  H  N N 389 
VAL N    N  N N 390 
VAL CA   C  N S 391 
VAL C    C  N N 392 
VAL O    O  N N 393 
VAL CB   C  N N 394 
VAL CG1  C  N N 395 
VAL CG2  C  N N 396 
VAL OXT  O  N N 397 
VAL H    H  N N 398 
VAL H2   H  N N 399 
VAL HA   H  N N 400 
VAL HB   H  N N 401 
VAL HG11 H  N N 402 
VAL HG12 H  N N 403 
VAL HG13 H  N N 404 
VAL HG21 H  N N 405 
VAL HG22 H  N N 406 
VAL HG23 H  N N 407 
VAL HXT  H  N N 408 
# 
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 
HIS N   CA   sing N N 146 
HIS N   H    sing N N 147 
HIS N   H2   sing N N 148 
HIS CA  C    sing N N 149 
HIS CA  CB   sing N N 150 
HIS CA  HA   sing N N 151 
HIS C   O    doub N N 152 
HIS C   OXT  sing N N 153 
HIS CB  CG   sing N N 154 
HIS CB  HB2  sing N N 155 
HIS CB  HB3  sing N N 156 
HIS CG  ND1  sing Y N 157 
HIS CG  CD2  doub Y N 158 
HIS ND1 CE1  doub Y N 159 
HIS ND1 HD1  sing N N 160 
HIS CD2 NE2  sing Y N 161 
HIS CD2 HD2  sing N N 162 
HIS CE1 NE2  sing Y N 163 
HIS CE1 HE1  sing N N 164 
HIS NE2 HE2  sing N N 165 
HIS OXT HXT  sing N N 166 
HOH O   H1   sing N N 167 
HOH O   H2   sing N N 168 
ILE N   CA   sing N N 169 
ILE N   H    sing N N 170 
ILE N   H2   sing N N 171 
ILE CA  C    sing N N 172 
ILE CA  CB   sing N N 173 
ILE CA  HA   sing N N 174 
ILE C   O    doub N N 175 
ILE C   OXT  sing N N 176 
ILE CB  CG1  sing N N 177 
ILE CB  CG2  sing N N 178 
ILE CB  HB   sing N N 179 
ILE CG1 CD1  sing N N 180 
ILE CG1 HG12 sing N N 181 
ILE CG1 HG13 sing N N 182 
ILE CG2 HG21 sing N N 183 
ILE CG2 HG22 sing N N 184 
ILE CG2 HG23 sing N N 185 
ILE CD1 HD11 sing N N 186 
ILE CD1 HD12 sing N N 187 
ILE CD1 HD13 sing N N 188 
ILE OXT HXT  sing N N 189 
LEU N   CA   sing N N 190 
LEU N   H    sing N N 191 
LEU N   H2   sing N N 192 
LEU CA  C    sing N N 193 
LEU CA  CB   sing N N 194 
LEU CA  HA   sing N N 195 
LEU C   O    doub N N 196 
LEU C   OXT  sing N N 197 
LEU CB  CG   sing N N 198 
LEU CB  HB2  sing N N 199 
LEU CB  HB3  sing N N 200 
LEU CG  CD1  sing N N 201 
LEU CG  CD2  sing N N 202 
LEU CG  HG   sing N N 203 
LEU CD1 HD11 sing N N 204 
LEU CD1 HD12 sing N N 205 
LEU CD1 HD13 sing N N 206 
LEU CD2 HD21 sing N N 207 
LEU CD2 HD22 sing N N 208 
LEU CD2 HD23 sing N N 209 
LEU OXT HXT  sing N N 210 
LYS N   CA   sing N N 211 
LYS N   H    sing N N 212 
LYS N   H2   sing N N 213 
LYS CA  C    sing N N 214 
LYS CA  CB   sing N N 215 
LYS CA  HA   sing N N 216 
LYS C   O    doub N N 217 
LYS C   OXT  sing N N 218 
LYS CB  CG   sing N N 219 
LYS CB  HB2  sing N N 220 
LYS CB  HB3  sing N N 221 
LYS CG  CD   sing N N 222 
LYS CG  HG2  sing N N 223 
LYS CG  HG3  sing N N 224 
LYS CD  CE   sing N N 225 
LYS CD  HD2  sing N N 226 
LYS CD  HD3  sing N N 227 
LYS CE  NZ   sing N N 228 
LYS CE  HE2  sing N N 229 
LYS CE  HE3  sing N N 230 
LYS NZ  HZ1  sing N N 231 
LYS NZ  HZ2  sing N N 232 
LYS NZ  HZ3  sing N N 233 
LYS OXT HXT  sing N N 234 
MET N   CA   sing N N 235 
MET N   H    sing N N 236 
MET N   H2   sing N N 237 
MET CA  C    sing N N 238 
MET CA  CB   sing N N 239 
MET CA  HA   sing N N 240 
MET C   O    doub N N 241 
MET C   OXT  sing N N 242 
MET CB  CG   sing N N 243 
MET CB  HB2  sing N N 244 
MET CB  HB3  sing N N 245 
MET CG  SD   sing N N 246 
MET CG  HG2  sing N N 247 
MET CG  HG3  sing N N 248 
MET SD  CE   sing N N 249 
MET CE  HE1  sing N N 250 
MET CE  HE2  sing N N 251 
MET CE  HE3  sing N N 252 
MET OXT HXT  sing N N 253 
PHE N   CA   sing N N 254 
PHE N   H    sing N N 255 
PHE N   H2   sing N N 256 
PHE CA  C    sing N N 257 
PHE CA  CB   sing N N 258 
PHE CA  HA   sing N N 259 
PHE C   O    doub N N 260 
PHE C   OXT  sing N N 261 
PHE CB  CG   sing N N 262 
PHE CB  HB2  sing N N 263 
PHE CB  HB3  sing N N 264 
PHE CG  CD1  doub Y N 265 
PHE CG  CD2  sing Y N 266 
PHE CD1 CE1  sing Y N 267 
PHE CD1 HD1  sing N N 268 
PHE CD2 CE2  doub Y N 269 
PHE CD2 HD2  sing N N 270 
PHE CE1 CZ   doub Y N 271 
PHE CE1 HE1  sing N N 272 
PHE CE2 CZ   sing Y N 273 
PHE CE2 HE2  sing N N 274 
PHE CZ  HZ   sing N N 275 
PHE OXT HXT  sing N N 276 
PRO N   CA   sing N N 277 
PRO N   CD   sing N N 278 
PRO N   H    sing N N 279 
PRO CA  C    sing N N 280 
PRO CA  CB   sing N N 281 
PRO CA  HA   sing N N 282 
PRO C   O    doub N N 283 
PRO C   OXT  sing N N 284 
PRO CB  CG   sing N N 285 
PRO CB  HB2  sing N N 286 
PRO CB  HB3  sing N N 287 
PRO CG  CD   sing N N 288 
PRO CG  HG2  sing N N 289 
PRO CG  HG3  sing N N 290 
PRO CD  HD2  sing N N 291 
PRO CD  HD3  sing N N 292 
PRO OXT HXT  sing N N 293 
SER N   CA   sing N N 294 
SER N   H    sing N N 295 
SER N   H2   sing N N 296 
SER CA  C    sing N N 297 
SER CA  CB   sing N N 298 
SER CA  HA   sing N N 299 
SER C   O    doub N N 300 
SER C   OXT  sing N N 301 
SER CB  OG   sing N N 302 
SER CB  HB2  sing N N 303 
SER CB  HB3  sing N N 304 
SER OG  HG   sing N N 305 
SER OXT HXT  sing N N 306 
THR N   CA   sing N N 307 
THR N   H    sing N N 308 
THR N   H2   sing N N 309 
THR CA  C    sing N N 310 
THR CA  CB   sing N N 311 
THR CA  HA   sing N N 312 
THR C   O    doub N N 313 
THR C   OXT  sing N N 314 
THR CB  OG1  sing N N 315 
THR CB  CG2  sing N N 316 
THR CB  HB   sing N N 317 
THR OG1 HG1  sing N N 318 
THR CG2 HG21 sing N N 319 
THR CG2 HG22 sing N N 320 
THR CG2 HG23 sing N N 321 
THR OXT HXT  sing N N 322 
TRP N   CA   sing N N 323 
TRP N   H    sing N N 324 
TRP N   H2   sing N N 325 
TRP CA  C    sing N N 326 
TRP CA  CB   sing N N 327 
TRP CA  HA   sing N N 328 
TRP C   O    doub N N 329 
TRP C   OXT  sing N N 330 
TRP CB  CG   sing N N 331 
TRP CB  HB2  sing N N 332 
TRP CB  HB3  sing N N 333 
TRP CG  CD1  doub Y N 334 
TRP CG  CD2  sing Y N 335 
TRP CD1 NE1  sing Y N 336 
TRP CD1 HD1  sing N N 337 
TRP CD2 CE2  doub Y N 338 
TRP CD2 CE3  sing Y N 339 
TRP NE1 CE2  sing Y N 340 
TRP NE1 HE1  sing N N 341 
TRP CE2 CZ2  sing Y N 342 
TRP CE3 CZ3  doub Y N 343 
TRP CE3 HE3  sing N N 344 
TRP CZ2 CH2  doub Y N 345 
TRP CZ2 HZ2  sing N N 346 
TRP CZ3 CH2  sing Y N 347 
TRP CZ3 HZ3  sing N N 348 
TRP CH2 HH2  sing N N 349 
TRP OXT HXT  sing N N 350 
TYR N   CA   sing N N 351 
TYR N   H    sing N N 352 
TYR N   H2   sing N N 353 
TYR CA  C    sing N N 354 
TYR CA  CB   sing N N 355 
TYR CA  HA   sing N N 356 
TYR C   O    doub N N 357 
TYR C   OXT  sing N N 358 
TYR CB  CG   sing N N 359 
TYR CB  HB2  sing N N 360 
TYR CB  HB3  sing N N 361 
TYR CG  CD1  doub Y N 362 
TYR CG  CD2  sing Y N 363 
TYR CD1 CE1  sing Y N 364 
TYR CD1 HD1  sing N N 365 
TYR CD2 CE2  doub Y N 366 
TYR CD2 HD2  sing N N 367 
TYR CE1 CZ   doub Y N 368 
TYR CE1 HE1  sing N N 369 
TYR CE2 CZ   sing Y N 370 
TYR CE2 HE2  sing N N 371 
TYR CZ  OH   sing N N 372 
TYR OH  HH   sing N N 373 
TYR OXT HXT  sing N N 374 
VAL N   CA   sing N N 375 
VAL N   H    sing N N 376 
VAL N   H2   sing N N 377 
VAL CA  C    sing N N 378 
VAL CA  CB   sing N N 379 
VAL CA  HA   sing N N 380 
VAL C   O    doub N N 381 
VAL C   OXT  sing N N 382 
VAL CB  CG1  sing N N 383 
VAL CB  CG2  sing N N 384 
VAL CB  HB   sing N N 385 
VAL CG1 HG11 sing N N 386 
VAL CG1 HG12 sing N N 387 
VAL CG1 HG13 sing N N 388 
VAL CG2 HG21 sing N N 389 
VAL CG2 HG22 sing N N 390 
VAL CG2 HG23 sing N N 391 
VAL OXT HXT  sing N N 392 
# 
_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                    9AWS 
_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]   0.018338 
_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]   0.017001 
_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]   0.014749 
_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   ? -8.107  -19.717 -13.485 1.000 12.308 0 1   ILE A N   1 ? 
ATOM   2    C  CA  . ILE A 1 1   ? -8.086  -20.615 -14.672 1.000 11.725 0 1   ILE A CA  1 ? 
ATOM   3    C  C   . ILE A 1 1   ? -9.364  -20.298 -15.459 1.000 11.846 0 1   ILE A C   1 ? 
ATOM   4    O  O   . ILE A 1 1   ? -10.438 -20.316 -14.888 1.000 11.140 0 1   ILE A O   1 ? 
ATOM   5    C  CB  . ILE A 1 1   ? -8.019  -22.096 -14.256 1.000 12.455 0 1   ILE A CB  1 ? 
ATOM   6    C  CG1 . ILE A 1 1   ? -6.828  -22.392 -13.332 1.000 12.221 0 1   ILE A CG1 1 ? 
ATOM   7    C  CG2 . ILE A 1 1   ? -8.022  -22.992 -15.492 1.000 12.754 0 1   ILE A CG2 1 ? 
ATOM   8    C  CD1 . ILE A 1 1   ? -5.499  -22.469 -14.045 1.000 12.681 0 1   ILE A CD1 1 ? 
ATOM   9    N  N   . VAL A 1 2   ? -9.223  -19.978 -16.739 1.000 12.851 0 2   VAL A N   1 ? 
ATOM   10   C  CA  . VAL A 1 2   ? -10.342 -19.794 -17.656 1.000 13.156 0 2   VAL A CA  1 ? 
ATOM   11   C  C   . VAL A 1 2   ? -10.487 -21.069 -18.486 1.000 14.423 0 2   VAL A C   1 ? 
ATOM   12   O  O   . VAL A 1 2   ? -9.514  -21.540 -19.071 1.000 13.307 0 2   VAL A O   1 ? 
ATOM   13   C  CB  . VAL A 1 2   ? -10.063 -18.573 -18.548 1.000 14.466 0 2   VAL A CB  1 ? 
ATOM   14   C  CG1 . VAL A 1 2   ? -11.177 -18.347 -19.568 1.000 15.462 0 2   VAL A CG1 1 ? 
ATOM   15   C  CG2 . VAL A 1 2   ? -9.844  -17.292 -17.743 1.000 14.085 0 2   VAL A CG2 1 ? 
ATOM   16   N  N   . GLY A 1 3   ? -11.723 -21.590 -18.565 1.000 14.424 0 3   GLY A N   1 ? 
ATOM   17   C  CA  . GLY A 1 3   ? -12.050 -22.680 -19.463 1.000 16.368 0 3   GLY A CA  1 ? 
ATOM   18   C  C   . GLY A 1 3   ? -11.596 -24.048 -18.956 1.000 16.962 0 3   GLY A C   1 ? 
ATOM   19   O  O   . GLY A 1 3   ? -11.400 -24.950 -19.769 1.000 17.344 0 3   GLY A O   1 ? 
ATOM   20   N  N   . GLY A 1 4   ? -11.370 -24.162 -17.634 1.000 15.865 0 4   GLY A N   1 ? 
ATOM   21   C  CA  . GLY A 1 4   ? -10.887 -25.391 -17.028 1.000 14.814 0 4   GLY A CA  1 ? 
ATOM   22   C  C   . GLY A 1 4   ? -12.022 -26.185 -16.379 1.000 16.515 0 4   GLY A C   1 ? 
ATOM   23   O  O   . GLY A 1 4   ? -13.186 -26.011 -16.728 1.000 17.242 0 4   GLY A O   1 ? 
ATOM   24   N  N   . TYR A 1 5   ? -11.656 -27.056 -15.445 1.000 13.221 0 5   TYR A N   1 ? 
ATOM   25   C  CA  . TYR A 1 5   ? -12.593 -27.930 -14.759 1.000 15.345 0 5   TYR A CA  1 ? 
ATOM   26   C  C   . TYR A 1 5   ? -12.287 -27.925 -13.264 1.000 14.446 0 5   TYR A C   1 ? 
ATOM   27   O  O   . TYR A 1 5   ? -11.188 -27.608 -12.835 1.000 14.437 0 5   TYR A O   1 ? 
ATOM   28   C  CB  . TYR A 1 5   ? -12.604 -29.345 -15.357 1.000 15.541 0 5   TYR A CB  1 ? 
ATOM   29   C  CG  . TYR A 1 5   ? -11.307 -30.132 -15.241 1.000 15.846 0 5   TYR A CG  1 ? 
ATOM   30   C  CD1 . TYR A 1 5   ? -10.256 -29.932 -16.143 1.000 15.296 0 5   TYR A CD1 1 ? 
ATOM   31   C  CD2 . TYR A 1 5   ? -11.110 -31.045 -14.214 1.000 15.235 0 5   TYR A CD2 1 ? 
ATOM   32   C  CE1 . TYR A 1 5   ? -9.064  -30.617 -16.017 1.000 17.571 0 5   TYR A CE1 1 ? 
ATOM   33   C  CE2 . TYR A 1 5   ? -9.941  -31.792 -14.127 1.000 15.176 0 5   TYR A CE2 1 ? 
ATOM   34   C  CZ  . TYR A 1 5   ? -8.907  -31.551 -15.014 1.000 16.952 0 5   TYR A CZ  1 ? 
ATOM   35   O  OH  . TYR A 1 5   ? -7.729  -32.230 -14.973 1.000 20.634 0 5   TYR A OH  1 ? 
ATOM   36   N  N   . THR A 1 6   ? -13.299 -28.255 -12.449 1.000 15.586 0 6   THR A N   1 ? 
ATOM   37   C  CA  . THR A 1 6   ? -13.095 -28.441 -11.016 1.000 15.085 0 6   THR A CA  1 ? 
ATOM   38   C  C   . THR A 1 6   ? -12.192 -29.646 -10.797 1.000 13.606 0 6   THR A C   1 ? 
ATOM   39   O  O   . THR A 1 6   ? -12.539 -30.753 -11.193 1.000 14.934 0 6   THR A O   1 ? 
ATOM   40   C  CB  . THR A 1 6   ? -14.449 -28.637 -10.324 1.000 15.698 0 6   THR A CB  1 ? 
ATOM   41   O  OG1 . THR A 1 6   ? -15.097 -27.382 -10.488 1.000 15.780 0 6   THR A OG1 1 ? 
ATOM   42   C  CG2 . THR A 1 6   ? -14.318 -28.979 -8.854  1.000 17.213 0 6   THR A CG2 1 ? 
ATOM   43   N  N   . CYS A 1 7   ? -11.004 -29.438 -10.198 1.000 12.628 0 7   CYS A N   1 ? 
ATOM   44   C  CA  . CYS A 1 7   ? -10.032 -30.515 -9.999  1.000 11.705 0 7   CYS A CA  1 ? 
ATOM   45   C  C   . CYS A 1 7   ? -10.615 -31.662 -9.171  1.000 12.845 0 7   CYS A C   1 ? 
ATOM   46   O  O   . CYS A 1 7   ? -10.470 -32.851 -9.484  1.000 13.037 0 7   CYS A O   1 ? 
ATOM   47   C  CB  . CYS A 1 7   ? -8.834  -30.004 -9.205  1.000 10.514 0 7   CYS A CB  1 ? 
ATOM   48   S  SG  . CYS A 1 7   ? -7.920  -28.700 -10.068 1.000 10.456 0 7   CYS A SG  1 ? 
ATOM   49   N  N   . GLY A 1 8   ? -11.283 -31.300 -8.093  1.000 14.060 0 8   GLY A N   1 ? 
ATOM   50   C  CA  . GLY A 1 8   ? -11.670 -32.260 -7.066  1.000 15.565 0 8   GLY A CA  1 ? 
ATOM   51   C  C   . GLY A 1 8   ? -10.766 -32.101 -5.845  1.000 15.745 0 8   GLY A C   1 ? 
ATOM   52   O  O   . GLY A 1 8   ? -9.572  -31.863 -5.985  1.000 15.420 0 8   GLY A O   1 ? 
ATOM   53   N  N   . ALA A 1 9   ? -11.338 -32.257 -4.640  1.000 15.431 0 9   ALA A N   1 ? 
ATOM   54   C  CA  . ALA A 1 9   ? -10.583 -32.012 -3.416  1.000 15.237 0 9   ALA A CA  1 ? 
ATOM   55   C  C   . ALA A 1 9   ? -9.321  -32.872 -3.334  1.000 16.231 0 9   ALA A C   1 ? 
ATOM   56   O  O   . ALA A 1 9   ? -9.402  -34.089 -3.407  1.000 17.696 0 9   ALA A O   1 ? 
ATOM   57   C  CB  . ALA A 1 9   ? -11.477 -32.230 -2.214  1.000 15.241 0 9   ALA A CB  1 ? 
ATOM   58   N  N   . ASN A 1 10  ? -8.163  -32.206 -3.172  1.000 15.653 0 10  ASN A N   1 ? 
ATOM   59   C  CA  . ASN A 1 10  ? -6.859  -32.781 -2.873  1.000 15.664 0 10  ASN A CA  1 ? 
ATOM   60   C  C   . ASN A 1 10  ? -6.363  -33.711 -3.973  1.000 14.977 0 10  ASN A C   1 ? 
ATOM   61   O  O   . ASN A 1 10  ? -5.635  -34.643 -3.705  1.000 14.352 0 10  ASN A O   1 ? 
ATOM   62   C  CB  . ASN A 1 10  ? -6.871  -33.501 -1.538  1.000 16.521 0 10  ASN A CB  1 ? 
ATOM   63   C  CG  . ASN A 1 10  ? -7.465  -32.636 -0.458  1.000 16.112 0 10  ASN A CG  1 ? 
ATOM   64   O  OD1 . ASN A 1 10  ? -8.501  -32.979 0.112   1.000 16.351 0 10  ASN A OD1 1 ? 
ATOM   65   N  ND2 . ASN A 1 10  ? -6.829  -31.512 -0.163  1.000 17.633 0 10  ASN A ND2 1 ? 
ATOM   66   N  N   . THR A 1 11  ? -6.832  -33.520 -5.204  1.000 13.873 0 11  THR A N   1 ? 
ATOM   67   C  CA  . THR A 1 11  ? -6.333  -34.294 -6.319  1.000 12.600 0 11  THR A CA  1 ? 
ATOM   68   C  C   . THR A 1 11  ? -5.053  -33.692 -6.873  1.000 12.887 0 11  THR A C   1 ? 
ATOM   69   O  O   . THR A 1 11  ? -4.433  -34.316 -7.729  1.000 13.147 0 11  THR A O   1 ? 
ATOM   70   C  CB  . THR A 1 11  ? -7.404  -34.404 -7.403  1.000 12.523 0 11  THR A CB  1 ? 
ATOM   71   O  OG1 . THR A 1 11  ? -7.730  -33.090 -7.865  1.000 14.000 0 11  THR A OG1 1 ? 
ATOM   72   C  CG2 . THR A 1 11  ? -8.638  -35.120 -6.888  1.000 12.707 0 11  THR A CG2 1 ? 
ATOM   73   N  N   . VAL A 1 12  ? -4.651  -32.512 -6.375  1.000 11.173 0 12  VAL A N   1 ? 
ATOM   74   C  CA  . VAL A 1 12  ? -3.445  -31.839 -6.828  1.000 11.608 0 12  VAL A CA  1 ? 
ATOM   75   C  C   . VAL A 1 12  ? -2.645  -31.559 -5.555  1.000 12.329 0 12  VAL A C   1 ? 
ATOM   76   O  O   . VAL A 1 12  ? -2.661  -30.440 -5.052  1.000 11.927 0 12  VAL A O   1 ? 
ATOM   77   C  CB  . VAL A 1 12  ? -3.699  -30.524 -7.578  1.000 11.081 0 12  VAL A CB  1 ? 
ATOM   78   C  CG1 . VAL A 1 12  ? -2.417  -29.992 -8.207  1.000 11.800 0 12  VAL A CG1 1 ? 
ATOM   79   C  CG2 . VAL A 1 12  ? -4.780  -30.632 -8.645  1.000 11.555 0 12  VAL A CG2 1 ? 
ATOM   80   N  N   . PRO A 1 13  ? -2.049  -32.586 -4.921  1.000 12.763 0 13  PRO A N   1 ? 
ATOM   81   C  CA  . PRO A 1 13  ? -1.617  -32.431 -3.526  1.000 12.841 0 13  PRO A CA  1 ? 
ATOM   82   C  C   . PRO A 1 13  ? -0.412  -31.527 -3.268  1.000 12.877 0 13  PRO A C   1 ? 
ATOM   83   O  O   . PRO A 1 13  ? -0.151  -31.241 -2.102  1.000 13.413 0 13  PRO A O   1 ? 
ATOM   84   C  CB  . PRO A 1 13  ? -1.373  -33.912 -3.078  1.000 14.163 0 13  PRO A CB  1 ? 
ATOM   85   C  CG  . PRO A 1 13  ? -1.004  -34.625 -4.368  1.000 14.798 0 13  PRO A CG  1 ? 
ATOM   86   C  CD  . PRO A 1 13  ? -1.865  -33.953 -5.444  1.000 13.386 0 13  PRO A CD  1 ? 
ATOM   87   N  N   . TYR A 1 14  ? 0.343   -31.157 -4.326  1.000 11.743 0 14  TYR A N   1 ? 
ATOM   88   C  CA  . TYR A 1 14  ? 1.472   -30.250 -4.230  1.000 10.953 0 14  TYR A CA  1 ? 
ATOM   89   C  C   . TYR A 1 14  ? 1.037   -28.779 -4.352  1.000 12.088 0 14  TYR A C   1 ? 
ATOM   90   O  O   . TYR A 1 14  ? 1.865   -27.908 -4.170  1.000 12.061 0 14  TYR A O   1 ? 
ATOM   91   C  CB  . TYR A 1 14  ? 2.524   -30.559 -5.312  1.000 10.206 0 14  TYR A CB  1 ? 
ATOM   92   C  CG  . TYR A 1 14  ? 1.873   -30.713 -6.676  1.000 10.589 0 14  TYR A CG  1 ? 
ATOM   93   C  CD1 . TYR A 1 14  ? 1.599   -29.628 -7.470  1.000 10.616 0 14  TYR A CD1 1 ? 
ATOM   94   C  CD2 . TYR A 1 14  ? 1.467   -31.963 -7.124  1.000 10.857 0 14  TYR A CD2 1 ? 
ATOM   95   C  CE1 . TYR A 1 14  ? 1.002   -29.779 -8.711  1.000 10.380 0 14  TYR A CE1 1 ? 
ATOM   96   C  CE2 . TYR A 1 14  ? 0.855   -32.125 -8.361  1.000 11.084 0 14  TYR A CE2 1 ? 
ATOM   97   C  CZ  . TYR A 1 14  ? 0.619   -31.022 -9.161  1.000 11.217 0 14  TYR A CZ  1 ? 
ATOM   98   O  OH  . TYR A 1 14  ? -0.048  -31.153 -10.367 1.000 10.649 0 14  TYR A OH  1 ? 
ATOM   99   N  N   . GLN A 1 15  ? -0.225  -28.496 -4.716  1.000 12.451 0 15  GLN A N   1 ? 
ATOM   100  C  CA  . GLN A 1 15  ? -0.715  -27.136 -4.870  1.000 11.967 0 15  GLN A CA  1 ? 
ATOM   101  C  C   . GLN A 1 15  ? -0.819  -26.421 -3.519  1.000 12.347 0 15  GLN A C   1 ? 
ATOM   102  O  O   . GLN A 1 15  ? -1.501  -26.917 -2.606  1.000 12.273 0 15  GLN A O   1 ? 
ATOM   103  C  CB  . GLN A 1 15  ? -2.104  -27.137 -5.519  1.000 11.466 0 15  GLN A CB  1 ? 
ATOM   104  C  CG  . GLN A 1 15  ? -2.732  -25.745 -5.630  1.000 11.315 0 15  GLN A CG  1 ? 
ATOM   105  C  CD  . GLN A 1 15  ? -2.227  -24.944 -6.823  1.000 11.800 0 15  GLN A CD  1 ? 
ATOM   106  O  OE1 . GLN A 1 15  ? -2.231  -25.415 -7.963  1.000 13.350 0 15  GLN A OE1 1 ? 
ATOM   107  N  NE2 . GLN A 1 15  ? -1.968  -23.656 -6.631  1.000 12.681 0 15  GLN A NE2 1 ? 
ATOM   108  N  N   . VAL A 1 16  ? -0.239  -25.215 -3.421  1.000 12.009 0 16  VAL A N   1 ? 
ATOM   109  C  CA  . VAL A 1 16  ? -0.415  -24.398 -2.220  1.000 13.100 0 16  VAL A CA  1 ? 
ATOM   110  C  C   . VAL A 1 16  ? -1.126  -23.077 -2.553  1.000 11.478 0 16  VAL A C   1 ? 
ATOM   111  O  O   . VAL A 1 16  ? -1.033  -22.579 -3.679  1.000 11.025 0 16  VAL A O   1 ? 
ATOM   112  C  CB  . VAL A 1 16  ? 0.880   -24.176 -1.413  1.000 16.148 0 16  VAL A CB  1 ? 
ATOM   113  C  CG1 . VAL A 1 16  ? 1.742   -25.423 -1.375  1.000 18.727 0 16  VAL A CG1 1 ? 
ATOM   114  C  CG2 . VAL A 1 16  ? 1.723   -23.013 -1.867  1.000 16.841 0 16  VAL A CG2 1 ? 
ATOM   115  N  N   . SER A 1 17  ? -1.768  -22.486 -1.525  1.000 10.836 0 17  SER A N   1 ? 
ATOM   116  C  CA  . SER A 1 17  ? -2.250  -21.114 -1.603  1.000 11.025 0 17  SER A CA  1 ? 
ATOM   117  C  C   . SER A 1 17  ? -1.377  -20.235 -0.718  1.000 11.464 0 17  SER A C   1 ? 
ATOM   118  O  O   . SER A 1 17  ? -1.083  -20.656 0.400   1.000 11.840 0 17  SER A O   1 ? 
ATOM   119  C  CB  . SER A 1 17  ? -3.714  -21.020 -1.183  1.000 10.733 0 17  SER A CB  1 ? 
ATOM   120  O  OG  . SER A 1 17  ? -4.071  -19.667 -0.882  1.000 9.772  0 17  SER A OG  1 ? 
ATOM   121  N  N   . LEU A 1 18  ? -0.877  -19.089 -1.232  1.000 10.383 0 18  LEU A N   1 ? 
ATOM   122  C  CA  . LEU A 1 18  ? -0.113  -18.125 -0.444  1.000 11.147 0 18  LEU A CA  1 ? 
ATOM   123  C  C   . LEU A 1 18  ? -1.100  -17.074 0.064   1.000 10.969 0 18  LEU A C   1 ? 
ATOM   124  O  O   . LEU A 1 18  ? -1.879  -16.550 -0.726  1.000 9.264  0 18  LEU A O   1 ? 
ATOM   125  C  CB  . LEU A 1 18  ? 0.984   -17.514 -1.302  1.000 11.474 0 18  LEU A CB  1 ? 
ATOM   126  C  CG  . LEU A 1 18  ? 1.986   -18.492 -1.913  1.000 13.654 0 18  LEU A CG  1 ? 
ATOM   127  C  CD1 . LEU A 1 18  ? 3.006   -17.617 -2.614  1.000 13.719 0 18  LEU A CD1 1 ? 
ATOM   128  C  CD2 . LEU A 1 18  ? 2.614   -19.428 -0.879  1.000 15.010 0 18  LEU A CD2 1 ? 
ATOM   129  N  N   . ASN A 1 19  ? -1.135  -16.905 1.393   1.000 10.815 0 19  ASN A N   1 ? 
ATOM   130  C  CA  . ASN A 1 19  ? -2.162  -16.122 2.068   1.000 10.601 0 19  ASN A CA  1 ? 
ATOM   131  C  C   . ASN A 1 19  ? -1.516  -14.991 2.880   1.000 10.920 0 19  ASN A C   1 ? 
ATOM   132  O  O   . ASN A 1 19  ? -0.633  -15.217 3.721   1.000 10.981 0 19  ASN A O   1 ? 
ATOM   133  C  CB  . ASN A 1 19  ? -3.012  -17.071 2.913   1.000 10.752 0 19  ASN A CB  1 ? 
ATOM   134  C  CG  . ASN A 1 19  ? -4.193  -16.377 3.570   1.000 10.503 0 19  ASN A CG  1 ? 
ATOM   135  O  OD1 . ASN A 1 19  ? -3.982  -15.566 4.455   1.000 11.423 0 19  ASN A OD1 1 ? 
ATOM   136  N  ND2 . ASN A 1 19  ? -5.407  -16.586 3.066   1.000 10.630 0 19  ASN A ND2 1 ? 
ATOM   137  N  N   . SER A 1 20  ? -1.972  -13.755 2.646   1.000 11.748 0 20  SER A N   1 ? 
ATOM   138  C  CA  . SER A 1 20  ? -1.573  -12.603 3.454   1.000 14.361 0 20  SER A CA  1 ? 
ATOM   139  C  C   . SER A 1 20  ? -2.818  -11.897 3.988   1.000 13.621 0 20  SER A C   1 ? 
ATOM   140  O  O   . SER A 1 20  ? -2.942  -10.679 3.927   1.000 16.981 0 20  SER A O   1 ? 
ATOM   141  C  CB  . SER A 1 20  ? -0.662  -11.645 2.669   1.000 15.404 0 20  SER A CB  1 ? 
ATOM   142  O  OG  . SER A 1 20  ? -1.387  -11.139 1.548   1.000 19.207 0 20  SER A OG  1 ? 
ATOM   143  N  N   . GLY A 1 21  ? -3.751  -12.674 4.534   1.000 13.346 0 21  GLY A N   1 ? 
ATOM   144  C  CA  . GLY A 1 21  ? -5.065  -12.213 4.932   1.000 12.947 0 21  GLY A CA  1 ? 
ATOM   145  C  C   . GLY A 1 21  ? -6.145  -12.610 3.923   1.000 13.518 0 21  GLY A C   1 ? 
ATOM   146  O  O   . GLY A 1 21  ? -7.329  -12.441 4.191   1.000 13.633 0 21  GLY A O   1 ? 
ATOM   147  N  N   . TYR A 1 22  ? -5.692  -13.116 2.771   1.000 11.835 0 22  TYR A N   1 ? 
ATOM   148  C  CA  . TYR A 1 22  ? -6.499  -13.475 1.632   1.000 11.635 0 22  TYR A CA  1 ? 
ATOM   149  C  C   . TYR A 1 22  ? -5.542  -14.203 0.688   1.000 11.165 0 22  TYR A C   1 ? 
ATOM   150  O  O   . TYR A 1 22  ? -4.329  -13.991 0.785   1.000 11.009 0 22  TYR A O   1 ? 
ATOM   151  C  CB  . TYR A 1 22  ? -7.037  -12.199 0.987   1.000 12.403 0 22  TYR A CB  1 ? 
ATOM   152  C  CG  . TYR A 1 22  ? -5.934  -11.188 0.717   1.000 13.193 0 22  TYR A CG  1 ? 
ATOM   153  C  CD1 . TYR A 1 22  ? -5.151  -11.242 -0.440  1.000 15.227 0 22  TYR A CD1 1 ? 
ATOM   154  C  CD2 . TYR A 1 22  ? -5.627  -10.207 1.653   1.000 15.446 0 22  TYR A CD2 1 ? 
ATOM   155  C  CE1 . TYR A 1 22  ? -4.147  -10.297 -0.654  1.000 17.008 0 22  TYR A CE1 1 ? 
ATOM   156  C  CE2 . TYR A 1 22  ? -4.602  -9.294  1.473   1.000 16.973 0 22  TYR A CE2 1 ? 
ATOM   157  C  CZ  . TYR A 1 22  ? -3.844  -9.355  0.326   1.000 18.895 0 22  TYR A CZ  1 ? 
ATOM   158  O  OH  . TYR A 1 22  ? -2.864  -8.414  0.179   1.000 25.702 0 22  TYR A OH  1 ? 
ATOM   159  N  N   . HIS A 1 23  ? -6.075  -15.092 -0.139  1.000 11.371 0 23  HIS A N   1 ? 
ATOM   160  C  CA  . HIS A 1 23  ? -5.285  -15.759 -1.173  1.000 10.713 0 23  HIS A CA  1 ? 
ATOM   161  C  C   . HIS A 1 23  ? -4.798  -14.711 -2.150  1.000 11.723 0 23  HIS A C   1 ? 
ATOM   162  O  O   . HIS A 1 23  ? -5.630  -13.923 -2.657  1.000 10.937 0 23  HIS A O   1 ? 
ATOM   163  C  CB  . HIS A 1 23  ? -6.141  -16.824 -1.884  1.000 11.796 0 23  HIS A CB  1 ? 
ATOM   164  C  CG  . HIS A 1 23  ? -5.508  -17.305 -3.171  1.000 11.131 0 23  HIS A CG  1 ? 
ATOM   165  N  ND1 . HIS A 1 23  ? -4.657  -18.374 -3.162  1.000 12.125 0 23  HIS A ND1 1 ? 
ATOM   166  C  CD2 . HIS A 1 23  ? -5.572  -16.883 -4.470  1.000 12.041 0 23  HIS A CD2 1 ? 
ATOM   167  C  CE1 . HIS A 1 23  ? -4.186  -18.578 -4.399  1.000 11.523 0 23  HIS A CE1 1 ? 
ATOM   168  N  NE2 . HIS A 1 23  ? -4.761  -17.708 -5.223  1.000 11.523 0 23  HIS A NE2 1 ? 
ATOM   169  N  N   . PHE A 1 24  ? -3.493  -14.766 -2.524  1.000 11.220 0 24  PHE A N   1 ? 
ATOM   170  C  CA  . PHE A 1 24  ? -2.998  -13.830 -3.523  1.000 11.475 0 24  PHE A CA  1 ? 
ATOM   171  C  C   . PHE A 1 24  ? -2.141  -14.496 -4.601  1.000 11.118 0 24  PHE A C   1 ? 
ATOM   172  O  O   . PHE A 1 24  ? -1.891  -13.868 -5.637  1.000 11.500 0 24  PHE A O   1 ? 
ATOM   173  C  CB  . PHE A 1 24  ? -2.209  -12.684 -2.888  1.000 13.559 0 24  PHE A CB  1 ? 
ATOM   174  C  CG  . PHE A 1 24  ? -0.889  -13.097 -2.256  1.000 13.609 0 24  PHE A CG  1 ? 
ATOM   175  C  CD1 . PHE A 1 24  ? 0.292   -13.111 -3.008  1.000 13.752 0 24  PHE A CD1 1 ? 
ATOM   176  C  CD2 . PHE A 1 24  ? -0.816  -13.467 -0.915  1.000 12.985 0 24  PHE A CD2 1 ? 
ATOM   177  C  CE1 . PHE A 1 24  ? 1.488   -13.461 -2.429  1.000 12.582 0 24  PHE A CE1 1 ? 
ATOM   178  C  CE2 . PHE A 1 24  ? 0.384   -13.846 -0.354  1.000 13.060 0 24  PHE A CE2 1 ? 
ATOM   179  C  CZ  . PHE A 1 24  ? 1.539   -13.857 -1.125  1.000 13.254 0 24  PHE A CZ  1 ? 
ATOM   180  N  N   . CYS A 1 25  ? -1.674  -15.735 -4.382  1.000 10.806 0 25  CYS A N   1 ? 
ATOM   181  C  CA  . CYS A 1 25  ? -0.802  -16.418 -5.339  1.000 10.569 0 25  CYS A CA  1 ? 
ATOM   182  C  C   . CYS A 1 25  ? -0.834  -17.915 -5.067  1.000 10.073 0 25  CYS A C   1 ? 
ATOM   183  O  O   . CYS A 1 25  ? -1.230  -18.371 -3.979  1.000 11.199 0 25  CYS A O   1 ? 
ATOM   184  C  CB  . CYS A 1 25  ? 0.644   -15.922 -5.347  1.000 10.509 0 25  CYS A CB  1 ? 
ATOM   185  S  SG  . CYS A 1 25  ? 0.948   -14.494 -6.433  1.000 10.226 0 25  CYS A SG  1 ? 
ATOM   186  N  N   . GLY A 1 26  ? -0.476  -18.677 -6.106  1.000 9.378  0 26  GLY A N   1 ? 
ATOM   187  C  CA  . GLY A 1 26  ? -0.277  -20.099 -5.943  1.000 9.442  0 26  GLY A CA  1 ? 
ATOM   188  C  C   . GLY A 1 26  ? 1.191   -20.405 -5.612  1.000 10.453 0 26  GLY A C   1 ? 
ATOM   189  O  O   . GLY A 1 26  ? 2.033   -19.521 -5.637  1.000 9.983  0 26  GLY A O   1 ? 
ATOM   190  N  N   . GLY A 1 27  ? 1.481   -21.697 -5.422  1.000 10.721 0 27  GLY A N   1 ? 
ATOM   191  C  CA  . GLY A 1 27  ? 2.834   -22.214 -5.229  1.000 11.726 0 27  GLY A CA  1 ? 
ATOM   192  C  C   . GLY A 1 27  ? 2.815   -23.728 -5.363  1.000 10.514 0 27  GLY A C   1 ? 
ATOM   193  O  O   . GLY A 1 27  ? 1.723   -24.270 -5.415  1.000 10.582 0 27  GLY A O   1 ? 
ATOM   194  N  N   . SER A 1 28  ? 4.000   -24.359 -5.266  1.000 10.293 0 28  SER A N   1 ? 
ATOM   195  C  CA  . SER A 1 28  ? 4.191   -25.786 -5.372  1.000 9.968  0 28  SER A CA  1 ? 
ATOM   196  C  C   . SER A 1 28  ? 5.055   -26.251 -4.214  1.000 10.247 0 28  SER A C   1 ? 
ATOM   197  O  O   . SER A 1 28  ? 6.080   -25.679 -3.998  1.000 11.089 0 28  SER A O   1 ? 
ATOM   198  C  CB  . SER A 1 28  ? 4.871   -26.159 -6.678  1.000 10.392 0 28  SER A CB  1 ? 
ATOM   199  O  OG  . SER A 1 28  ? 4.038   -25.778 -7.761  1.000 12.128 0 28  SER A OG  1 ? 
ATOM   200  N  N   . LEU A 1 29  ? 4.673   -27.337 -3.547  1.000 10.027 0 29  LEU A N   1 ? 
ATOM   201  C  CA  . LEU A 1 29  ? 5.505   -27.920 -2.508  1.000 10.318 0 29  LEU A CA  1 ? 
ATOM   202  C  C   . LEU A 1 29  ? 6.510   -28.849 -3.166  1.000 11.606 0 29  LEU A C   1 ? 
ATOM   203  O  O   . LEU A 1 29  ? 6.102   -29.783 -3.845  1.000 11.515 0 29  LEU A O   1 ? 
ATOM   204  C  CB  . LEU A 1 29  ? 4.575   -28.711 -1.598  1.000 11.436 0 29  LEU A CB  1 ? 
ATOM   205  C  CG  . LEU A 1 29  ? 5.172   -29.162 -0.278  1.000 13.232 0 29  LEU A CG  1 ? 
ATOM   206  C  CD1 . LEU A 1 29  ? 5.519   -27.987 0.603   1.000 12.998 0 29  LEU A CD1 1 ? 
ATOM   207  C  CD2 . LEU A 1 29  ? 4.201   -30.104 0.412   1.000 14.653 0 29  LEU A CD2 1 ? 
ATOM   208  N  N   . ILE A 1 30  ? 7.799   -28.610 -2.925  1.000 12.990 0 30  ILE A N   1 ? 
ATOM   209  C  CA  . ILE A 1 30  ? 8.852   -29.395 -3.544  1.000 15.201 0 30  ILE A CA  1 ? 
ATOM   210  C  C   . ILE A 1 30  ? 9.576   -30.242 -2.492  1.000 14.684 0 30  ILE A C   1 ? 
ATOM   211  O  O   . ILE A 1 30  ? 10.257  -31.173 -2.867  1.000 13.110 0 30  ILE A O   1 ? 
ATOM   212  C  CB  . ILE A 1 30  ? 9.815   -28.506 -4.351  1.000 17.753 0 30  ILE A CB  1 ? 
ATOM   213  C  CG1 . ILE A 1 30  ? 10.464  -27.428 -3.483  1.000 17.207 0 30  ILE A CG1 1 ? 
ATOM   214  C  CG2 . ILE A 1 30  ? 9.090   -27.922 -5.567  1.000 17.436 0 30  ILE A CG2 1 ? 
ATOM   215  C  CD1 . ILE A 1 30  ? 11.652  -26.727 -4.131  1.000 19.319 0 30  ILE A CD1 1 ? 
ATOM   216  N  N   . ASN A 1 31  ? 9.424   -29.943 -1.202  1.000 16.386 0 31  ASN A N   1 ? 
ATOM   217  C  CA  . ASN A 1 31  ? 9.710   -30.934 -0.169  1.000 17.995 0 31  ASN A CA  1 ? 
ATOM   218  C  C   . ASN A 1 31  ? 8.944   -30.538 1.084   1.000 17.370 0 31  ASN A C   1 ? 
ATOM   219  O  O   . ASN A 1 31  ? 8.196   -29.573 1.047   1.000 18.128 0 31  ASN A O   1 ? 
ATOM   220  C  CB  . ASN A 1 31  ? 11.202  -31.135 0.075   1.000 21.267 0 31  ASN A CB  1 ? 
ATOM   221  C  CG  . ASN A 1 31  ? 11.912  -29.916 0.614   1.000 23.280 0 31  ASN A CG  1 ? 
ATOM   222  O  OD1 . ASN A 1 31  ? 11.370  -29.124 1.391   1.000 20.347 0 31  ASN A OD1 1 ? 
ATOM   223  N  ND2 . ASN A 1 31  ? 13.143  -29.737 0.183   1.000 28.700 0 31  ASN A ND2 1 ? 
ATOM   224  N  N   . SER A 1 32  ? 9.199   -31.211 2.211   1.000 18.272 0 32  SER A N   1 ? 
ATOM   225  C  CA  . SER A 1 32  ? 8.426   -30.958 3.418   1.000 18.148 0 32  SER A CA  1 ? 
ATOM   226  C  C   . SER A 1 32  ? 8.613   -29.526 3.948   1.000 16.421 0 32  SER A C   1 ? 
ATOM   227  O  O   . SER A 1 32  ? 7.780   -29.050 4.723   1.000 18.269 0 32  SER A O   1 ? 
ATOM   228  C  CB  . SER A 1 32  ? 8.744   -32.007 4.496   1.000 19.375 0 32  SER A CB  1 ? 
ATOM   229  O  OG  . SER A 1 32  ? 10.001  -31.728 5.064   1.000 18.596 0 32  SER A OG  1 ? 
ATOM   230  N  N   . GLN A 1 33  ? 9.663   -28.790 3.544   1.000 15.175 0 33  GLN A N   1 ? 
ATOM   231  C  CA  . GLN A 1 33  ? 9.870   -27.470 4.156   1.000 15.623 0 33  GLN A CA  1 ? 
ATOM   232  C  C   . GLN A 1 33  ? 10.056  -26.333 3.150   1.000 13.213 0 33  GLN A C   1 ? 
ATOM   233  O  O   . GLN A 1 33  ? 10.277  -25.200 3.567   1.000 13.872 0 33  GLN A O   1 ? 
ATOM   234  C  CB  . GLN A 1 33  ? 10.999  -27.534 5.190   1.000 17.117 0 33  GLN A CB  1 ? 
ATOM   235  C  CG  . GLN A 1 33  ? 10.768  -26.583 6.359   1.000 21.583 0 33  GLN A CG  1 ? 
ATOM   236  C  CD  . GLN A 1 33  ? 11.738  -26.776 7.506   1.000 23.515 0 33  GLN A CD  1 ? 
ATOM   237  O  OE1 . GLN A 1 33  ? 12.521  -27.729 7.520   1.000 26.380 0 33  GLN A OE1 1 ? 
ATOM   238  N  NE2 . GLN A 1 33  ? 11.703  -25.863 8.464   1.000 22.852 0 33  GLN A NE2 1 ? 
ATOM   239  N  N   . TRP A 1 34  ? 9.797   -26.571 1.856   1.000 11.462 0 34  TRP A N   1 ? 
ATOM   240  C  CA  . TRP A 1 34  ? 10.115  -25.586 0.838   1.000 10.434 0 34  TRP A CA  1 ? 
ATOM   241  C  C   . TRP A 1 34  ? 9.002   -25.540 -0.203  1.000 10.377 0 34  TRP A C   1 ? 
ATOM   242  O  O   . TRP A 1 34  ? 8.523   -26.562 -0.670  1.000 10.425 0 34  TRP A O   1 ? 
ATOM   243  C  CB  . TRP A 1 34  ? 11.442  -25.844 0.106   1.000 10.191 0 34  TRP A CB  1 ? 
ATOM   244  C  CG  . TRP A 1 34  ? 12.629  -25.543 0.972   1.000 10.631 0 34  TRP A CG  1 ? 
ATOM   245  C  CD1 . TRP A 1 34  ? 13.236  -26.409 1.831   1.000 12.671 0 34  TRP A CD1 1 ? 
ATOM   246  C  CD2 . TRP A 1 34  ? 13.346  -24.293 1.059   1.000 11.283 0 34  TRP A CD2 1 ? 
ATOM   247  N  NE1 . TRP A 1 34  ? 14.266  -25.783 2.472   1.000 11.515 0 34  TRP A NE1 1 ? 
ATOM   248  C  CE2 . TRP A 1 34  ? 14.356  -24.482 2.031   1.000 12.084 0 34  TRP A CE2 1 ? 
ATOM   249  C  CE3 . TRP A 1 34  ? 13.221  -23.036 0.450   1.000 11.782 0 34  TRP A CE3 1 ? 
ATOM   250  C  CZ2 . TRP A 1 34  ? 15.256  -23.474 2.361   1.000 13.366 0 34  TRP A CZ2 1 ? 
ATOM   251  C  CZ3 . TRP A 1 34  ? 14.102  -22.037 0.792   1.000 13.241 0 34  TRP A CZ3 1 ? 
ATOM   252  C  CH2 . TRP A 1 34  ? 15.111  -22.255 1.742   1.000 14.067 0 34  TRP A CH2 1 ? 
ATOM   253  N  N   . VAL A 1 35  ? 8.713   -24.312 -0.626  1.000 10.594 0 35  VAL A N   1 ? 
ATOM   254  C  CA  . VAL A 1 35  ? 7.743   -24.039 -1.664  1.000 10.703 0 35  VAL A CA  1 ? 
ATOM   255  C  C   . VAL A 1 35  ? 8.377   -23.192 -2.765  1.000 11.646 0 35  VAL A C   1 ? 
ATOM   256  O  O   . VAL A 1 35  ? 9.198   -22.317 -2.484  1.000 8.949  0 35  VAL A O   1 ? 
ATOM   257  C  CB  . VAL A 1 35  ? 6.581   -23.274 -1.016  1.000 10.926 0 35  VAL A CB  1 ? 
ATOM   258  C  CG1 . VAL A 1 35  ? 5.673   -22.621 -2.056  1.000 10.713 0 35  VAL A CG1 1 ? 
ATOM   259  C  CG2 . VAL A 1 35  ? 5.798   -24.195 -0.108  1.000 11.880 0 35  VAL A CG2 1 ? 
ATOM   260  N  N   . VAL A 1 36  ? 7.929   -23.410 -4.012  1.000 11.720 0 36  VAL A N   1 ? 
ATOM   261  C  CA  . VAL A 1 36  ? 8.429   -22.642 -5.145  1.000 13.033 0 36  VAL A CA  1 ? 
ATOM   262  C  C   . VAL A 1 36  ? 7.241   -21.848 -5.673  1.000 11.177 0 36  VAL A C   1 ? 
ATOM   263  O  O   . VAL A 1 36  ? 6.125   -22.362 -5.705  1.000 11.086 0 36  VAL A O   1 ? 
ATOM   264  C  CB  . VAL A 1 36  ? 9.022   -23.471 -6.303  1.000 16.167 0 36  VAL A CB  1 ? 
ATOM   265  C  CG1 . VAL A 1 36  ? 9.802   -22.574 -7.255  1.000 18.395 0 36  VAL A CG1 1 ? 
ATOM   266  C  CG2 . VAL A 1 36  ? 9.917   -24.601 -5.840  1.000 21.962 0 36  VAL A CG2 1 ? 
ATOM   267  N  N   . SER A 1 37  ? 7.471   -20.584 -5.997  1.000 9.721  0 37  SER A N   1 ? 
ATOM   268  C  CA  . SER A 1 37  ? 6.430   -19.714 -6.521  1.000 9.203  0 37  SER A CA  1 ? 
ATOM   269  C  C   . SER A 1 37  ? 7.056   -18.725 -7.482  1.000 9.073  0 37  SER A C   1 ? 
ATOM   270  O  O   . SER A 1 37  ? 8.179   -18.940 -7.931  1.000 8.475  0 37  SER A O   1 ? 
ATOM   271  C  CB  . SER A 1 37  ? 5.637   -19.072 -5.377  1.000 9.468  0 37  SER A CB  1 ? 
ATOM   272  O  OG  . SER A 1 37  ? 4.572   -18.262 -5.837  1.000 10.065 0 37  SER A OG  1 ? 
ATOM   273  N  N   . ALA A 1 38  ? 6.279   -17.735 -7.914  1.000 9.435  0 38  ALA A N   1 ? 
ATOM   274  C  CA  . ALA A 1 38  ? 6.810   -16.669 -8.766  1.000 8.657  0 38  ALA A CA  1 ? 
ATOM   275  C  C   . ALA A 1 38  ? 7.399   -15.538 -7.931  1.000 10.194 0 38  ALA A C   1 ? 
ATOM   276  O  O   . ALA A 1 38  ? 6.871   -15.192 -6.901  1.000 9.302  0 38  ALA A O   1 ? 
ATOM   277  C  CB  . ALA A 1 38  ? 5.713   -16.139 -9.686  1.000 8.414  0 38  ALA A CB  1 ? 
ATOM   278  N  N   . ALA A 1 39  ? 8.462   -14.926 -8.439  1.000 10.126 0 39  ALA A N   1 ? 
ATOM   279  C  CA  . ALA A 1 39  ? 9.085   -13.788 -7.772  1.000 9.650  0 39  ALA A CA  1 ? 
ATOM   280  C  C   . ALA A 1 39  ? 8.147   -12.594 -7.710  1.000 9.416  0 39  ALA A C   1 ? 
ATOM   281  O  O   . ALA A 1 39  ? 8.205   -11.852 -6.752  1.000 9.162  0 39  ALA A O   1 ? 
ATOM   282  C  CB  . ALA A 1 39  ? 10.400  -13.453 -8.441  1.000 9.649  0 39  ALA A CB  1 ? 
ATOM   283  N  N   . HIS A 1 40  ? 7.235   -12.432 -8.688  1.000 9.645  0 40  HIS A N   1 ? 
ATOM   284  C  CA  . HIS A 1 40  ? 6.324   -11.297 -8.695  1.000 9.340  0 40  HIS A CA  1 ? 
ATOM   285  C  C   . HIS A 1 40  ? 5.245   -11.437 -7.623  1.000 9.644  0 40  HIS A C   1 ? 
ATOM   286  O  O   . HIS A 1 40  ? 4.493   -10.502 -7.426  1.000 11.947 0 40  HIS A O   1 ? 
ATOM   287  C  CB  . HIS A 1 40  ? 5.697   -11.026 -10.064 1.000 9.909  0 40  HIS A CB  1 ? 
ATOM   288  C  CG  . HIS A 1 40  ? 4.592   -11.904 -10.552 1.000 11.191 0 40  HIS A CG  1 ? 
ATOM   289  N  ND1 . HIS A 1 40  ? 4.779   -13.017 -11.360 1.000 11.950 0 40  HIS A ND1 1 ? 
ATOM   290  C  CD2 . HIS A 1 40  ? 3.261   -11.730 -10.402 1.000 12.186 0 40  HIS A CD2 1 ? 
ATOM   291  C  CE1 . HIS A 1 40  ? 3.576   -13.518 -11.667 1.000 13.201 0 40  HIS A CE1 1 ? 
ATOM   292  N  NE2 . HIS A 1 40  ? 2.628   -12.761 -11.071 1.000 12.219 0 40  HIS A NE2 1 ? 
ATOM   293  N  N   . CYS A 1 41  ? 5.162   -12.603 -7.024  1.000 8.873  0 41  CYS A N   1 ? 
ATOM   294  C  CA  . CYS A 1 41  ? 4.307   -12.908 -5.890  1.000 9.391  0 41  CYS A CA  1 ? 
ATOM   295  C  C   . CYS A 1 41  ? 4.952   -12.523 -4.547  1.000 12.142 0 41  CYS A C   1 ? 
ATOM   296  O  O   . CYS A 1 41  ? 4.288   -12.596 -3.512  1.000 13.941 0 41  CYS A O   1 ? 
ATOM   297  C  CB  . CYS A 1 41  ? 3.993   -14.401 -5.861  1.000 9.109  0 41  CYS A CB  1 ? 
ATOM   298  S  SG  . CYS A 1 41  ? 2.841   -14.910 -7.155  1.000 11.223 0 41  CYS A SG  1 ? 
ATOM   299  N  N   . TYR A 1 42  ? 6.162   -11.978 -4.560  1.000 11.537 0 42  TYR A N   1 ? 
ATOM   300  C  CA  . TYR A 1 42  ? 6.854   -11.630 -3.322  1.000 12.307 0 42  TYR A CA  1 ? 
ATOM   301  C  C   . TYR A 1 42  ? 5.998   -10.658 -2.498  1.000 13.077 0 42  TYR A C   1 ? 
ATOM   302  O  O   . TYR A 1 42  ? 5.515   -9.654  -3.002  1.000 13.914 0 42  TYR A O   1 ? 
ATOM   303  C  CB  . TYR A 1 42  ? 8.235   -11.028 -3.598  1.000 12.707 0 42  TYR A CB  1 ? 
ATOM   304  C  CG  . TYR A 1 42  ? 8.738   -10.353 -2.326  1.000 12.429 0 42  TYR A CG  1 ? 
ATOM   305  C  CD1 . TYR A 1 42  ? 9.345   -11.061 -1.292  1.000 13.489 0 42  TYR A CD1 1 ? 
ATOM   306  C  CD2 . TYR A 1 42  ? 8.508   -9.005  -2.155  1.000 12.866 0 42  TYR A CD2 1 ? 
ATOM   307  C  CE1 . TYR A 1 42  ? 9.739   -10.416 -0.125  1.000 14.554 0 42  TYR A CE1 1 ? 
ATOM   308  C  CE2 . TYR A 1 42  ? 8.846   -8.370  -0.972  1.000 15.655 0 42  TYR A CE2 1 ? 
ATOM   309  C  CZ  . TYR A 1 42  ? 9.482   -9.068  0.029   1.000 14.320 0 42  TYR A CZ  1 ? 
ATOM   310  O  OH  . TYR A 1 42  ? 9.803   -8.323  1.141   1.000 20.566 0 42  TYR A OH  1 ? 
ATOM   311  N  N   . LYS A 1 43  ? 5.839   -10.963 -1.211  1.000 15.693 0 43  LYS A N   1 ? 
ATOM   312  C  CA  . LYS A 1 43  ? 5.523   -9.937  -0.225  1.000 19.355 0 43  LYS A CA  1 ? 
ATOM   313  C  C   . LYS A 1 43  ? 6.017   -10.392 1.149   1.000 19.341 0 43  LYS A C   1 ? 
ATOM   314  O  O   . LYS A 1 43  ? 6.477   -11.524 1.310   1.000 15.724 0 43  LYS A O   1 ? 
ATOM   315  C  CB  . LYS A 1 43  ? 4.040   -9.581  -0.243  1.000 25.060 0 43  LYS A CB  1 ? 
ATOM   316  C  CG  . LYS A 1 43  ? 3.075   -10.667 0.077   1.000 26.814 0 43  LYS A CG  1 ? 
ATOM   317  C  CD  . LYS A 1 43  ? 1.657   -10.124 0.228   1.000 29.861 0 43  LYS A CD  1 ? 
ATOM   318  C  CE  . LYS A 1 43  ? 0.981   -9.862  -1.063  1.000 31.729 0 43  LYS A CE  1 ? 
ATOM   319  N  NZ  . LYS A 1 43  ? -0.307  -9.228  -0.789  1.000 38.200 0 43  LYS A NZ  1 ? 
ATOM   320  N  N   . SER A 1 44  ? 5.945   -9.502  2.148   1.000 22.141 0 44  SER A N   1 ? 
ATOM   321  C  CA  . SER A 1 44  ? 6.330   -9.901  3.496   1.000 24.260 0 44  SER A CA  1 ? 
ATOM   322  C  C   . SER A 1 44  ? 5.065   -10.400 4.181   1.000 24.767 0 44  SER A C   1 ? 
ATOM   323  O  O   . SER A 1 44  ? 3.975   -10.117 3.709   1.000 34.734 0 44  SER A O   1 ? 
ATOM   324  C  CB  . SER A 1 44  ? 6.991   -8.791  4.255   1.000 28.646 0 44  SER A CB  1 ? 
ATOM   325  O  OG  . SER A 1 44  ? 6.101   -7.699  4.335   1.000 32.282 0 44  SER A OG  1 ? 
ATOM   326  N  N   . GLY A 1 45  ? 5.198   -11.191 5.239   1.000 28.816 0 45  GLY A N   1 ? 
ATOM   327  C  CA  . GLY A 1 45  ? 4.038   -11.801 5.861   1.000 26.821 0 45  GLY A CA  1 ? 
ATOM   328  C  C   . GLY A 1 45  ? 3.331   -12.724 4.870   1.000 25.002 0 45  GLY A C   1 ? 
ATOM   329  O  O   . GLY A 1 45  ? 2.422   -12.306 4.164   1.000 36.655 0 45  GLY A O   1 ? 
ATOM   330  N  N   . ILE A 1 46  ? 3.837   -13.937 4.723   1.000 18.711 0 46  ILE A N   1 ? 
ATOM   331  C  CA  . ILE A 1 46  ? 3.167   -14.959 3.936   1.000 16.711 0 46  ILE A CA  1 ? 
ATOM   332  C  C   . ILE A 1 46  ? 2.878   -16.112 4.889   1.000 15.514 0 46  ILE A C   1 ? 
ATOM   333  O  O   . ILE A 1 46  ? 3.761   -16.514 5.659   1.000 14.940 0 46  ILE A O   1 ? 
ATOM   334  C  CB  . ILE A 1 46  ? 4.033   -15.431 2.746   1.000 16.176 0 46  ILE A CB  1 ? 
ATOM   335  C  CG1 . ILE A 1 46  ? 4.330   -14.271 1.785   1.000 17.820 0 46  ILE A CG1 1 ? 
ATOM   336  C  CG2 . ILE A 1 46  ? 3.376   -16.590 1.991   1.000 18.114 0 46  ILE A CG2 1 ? 
ATOM   337  C  CD1 . ILE A 1 46  ? 5.312   -14.637 0.692   1.000 18.073 0 46  ILE A CD1 1 ? 
ATOM   338  N  N   . GLN A 1 47  ? 1.640   -16.608 4.846   1.000 12.920 0 47  GLN A N   1 ? 
ATOM   339  C  CA  . GLN A 1 47  ? 1.285   -17.906 5.372   1.000 12.408 0 47  GLN A CA  1 ? 
ATOM   340  C  C   . GLN A 1 47  ? 1.033   -18.855 4.217   1.000 12.760 0 47  GLN A C   1 ? 
ATOM   341  O  O   . GLN A 1 47  ? 0.220   -18.542 3.329   1.000 13.154 0 47  GLN A O   1 ? 
ATOM   342  C  CB  . GLN A 1 47  ? 0.041   -17.805 6.246   1.000 12.991 0 47  GLN A CB  1 ? 
ATOM   343  C  CG  . GLN A 1 47  ? -0.288  -19.109 6.968   1.000 14.197 0 47  GLN A CG  1 ? 
ATOM   344  C  CD  . GLN A 1 47  ? -1.567  -19.010 7.763   1.000 16.930 0 47  GLN A CD  1 ? 
ATOM   345  O  OE1 . GLN A 1 47  ? -2.662  -18.962 7.200   1.000 17.547 0 47  GLN A OE1 1 ? 
ATOM   346  N  NE2 . GLN A 1 47  ? -1.449  -18.976 9.080   1.000 19.726 0 47  GLN A NE2 1 ? 
ATOM   347  N  N   . VAL A 1 48  ? 1.662   -20.031 4.281   1.000 12.455 0 48  VAL A N   1 ? 
ATOM   348  C  CA  . VAL A 1 48  ? 1.438   -21.074 3.300   1.000 13.461 0 48  VAL A CA  1 ? 
ATOM   349  C  C   . VAL A 1 48  ? 0.291   -21.978 3.730   1.000 13.477 0 48  VAL A C   1 ? 
ATOM   350  O  O   . VAL A 1 48  ? 0.273   -22.455 4.846   1.000 14.601 0 48  VAL A O   1 ? 
ATOM   351  C  CB  . VAL A 1 48  ? 2.746   -21.849 3.110   1.000 15.265 0 48  VAL A CB  1 ? 
ATOM   352  C  CG1 . VAL A 1 48  ? 2.562   -22.977 2.097   1.000 18.283 0 48  VAL A CG1 1 ? 
ATOM   353  C  CG2 . VAL A 1 48  ? 3.884   -20.911 2.685   1.000 15.622 0 48  VAL A CG2 1 ? 
ATOM   354  N  N   . ARG A 1 49  ? -0.675  -22.218 2.828   1.000 12.069 0 49  ARG A N   1 ? 
ATOM   355  C  CA  . ARG A 1 49  ? -1.796  -23.101 3.132   1.000 13.660 0 49  ARG A CA  1 ? 
ATOM   356  C  C   . ARG A 1 49  ? -1.754  -24.314 2.194   1.000 13.834 0 49  ARG A C   1 ? 
ATOM   357  O  O   . ARG A 1 49  ? -1.956  -24.185 0.985   1.000 12.547 0 49  ARG A O   1 ? 
ATOM   358  C  CB  . ARG A 1 49  ? -3.089  -22.297 3.024   1.000 13.935 0 49  ARG A CB  1 ? 
ATOM   359  C  CG  . ARG A 1 49  ? -3.088  -21.043 3.899   1.000 14.838 0 49  ARG A CG  1 ? 
ATOM   360  C  CD  . ARG A 1 49  ? -4.504  -20.499 4.135   1.000 16.350 0 49  ARG A CD  1 ? 
ATOM   361  N  NE  . ARG A 1 49  ? -4.561  -19.606 5.312   1.000 15.570 0 49  ARG A NE  1 ? 
ATOM   362  C  CZ  . ARG A 1 49  ? -5.702  -19.360 5.970   1.000 16.971 0 49  ARG A CZ  1 ? 
ATOM   363  N  NH1 . ARG A 1 49  ? -6.878  -19.665 5.437   1.000 17.222 0 49  ARG A NH1 1 ? 
ATOM   364  N  NH2 . ARG A 1 49  ? -5.668  -18.783 7.155   1.000 18.428 0 49  ARG A NH2 1 ? 
ATOM   365  N  N   . LEU A 1 50  ? -1.560  -25.487 2.806   1.000 13.827 0 50  LEU A N   1 ? 
ATOM   366  C  CA  . LEU A 1 50  ? -1.498  -26.772 2.146   1.000 14.894 0 50  LEU A CA  1 ? 
ATOM   367  C  C   . LEU A 1 50  ? -2.807  -27.524 2.376   1.000 15.985 0 50  LEU A C   1 ? 
ATOM   368  O  O   . LEU A 1 50  ? -3.548  -27.268 3.333   1.000 14.755 0 50  LEU A O   1 ? 
ATOM   369  C  CB  . LEU A 1 50  ? -0.316  -27.526 2.781   1.000 16.570 0 50  LEU A CB  1 ? 
ATOM   370  C  CG  . LEU A 1 50  ? 1.082   -26.898 2.628   1.000 21.878 0 50  LEU A CG  1 ? 
ATOM   371  C  CD1 . LEU A 1 50  ? 1.602   -26.163 3.837   1.000 24.202 0 50  LEU A CD1 1 ? 
ATOM   372  C  CD2 . LEU A 1 50  ? 2.105   -27.950 2.283   1.000 25.051 0 50  LEU A CD2 1 ? 
ATOM   373  N  N   . GLY A 1 51  ? -3.062  -28.521 1.532   1.000 15.335 0 51  GLY A N   1 ? 
ATOM   374  C  CA  . GLY A 1 51  ? -4.234  -29.361 1.705   1.000 15.111 0 51  GLY A CA  1 ? 
ATOM   375  C  C   . GLY A 1 51  ? -5.566  -28.656 1.425   1.000 14.363 0 51  GLY A C   1 ? 
ATOM   376  O  O   . GLY A 1 51  ? -6.590  -29.120 1.903   1.000 14.425 0 51  GLY A O   1 ? 
ATOM   377  N  N   . GLU A 1 52  ? -5.536  -27.538 0.688   1.000 13.020 0 52  GLU A N   1 ? 
ATOM   378  C  CA  . GLU A 1 52  ? -6.701  -26.718 0.417   1.000 12.034 0 52  GLU A CA  1 ? 
ATOM   379  C  C   . GLU A 1 52  ? -7.500  -27.235 -0.786  1.000 13.228 0 52  GLU A C   1 ? 
ATOM   380  O  O   . GLU A 1 52  ? -6.936  -27.640 -1.813  1.000 14.448 0 52  GLU A O   1 ? 
ATOM   381  C  CB  . GLU A 1 52  ? -6.284  -25.281 0.143   1.000 12.374 0 52  GLU A CB  1 ? 
ATOM   382  C  CG  . GLU A 1 52  ? -5.933  -24.434 1.366   1.000 12.987 0 52  GLU A CG  1 ? 
ATOM   383  C  CD  . GLU A 1 52  ? -7.109  -24.070 2.256   1.000 13.529 0 52  GLU A CD  1 ? 
ATOM   384  O  OE1 . GLU A 1 52  ? -8.207  -24.654 2.063   1.000 14.289 0 52  GLU A OE1 1 ? 
ATOM   385  O  OE2 . GLU A 1 52  ? -6.920  -23.121 3.049   1.000 13.432 0 52  GLU A OE2 1 ? 
ATOM   386  N  N   . ASP A 1 53  ? -8.816  -27.187 -0.646  1.000 11.855 0 53  ASP A N   1 ? 
ATOM   387  C  CA  . ASP A 1 53  ? -9.703  -27.195 -1.784  1.000 12.267 0 53  ASP A CA  1 ? 
ATOM   388  C  C   . ASP A 1 53  ? -10.505 -25.904 -1.794  1.000 12.035 0 53  ASP A C   1 ? 
ATOM   389  O  O   . ASP A 1 53  ? -10.143 -24.972 -2.499  1.000 14.400 0 53  ASP A O   1 ? 
ATOM   390  C  CB  . ASP A 1 53  ? -10.544 -28.447 -1.896  1.000 12.266 0 53  ASP A CB  1 ? 
ATOM   391  C  CG  . ASP A 1 53  ? -11.313 -28.489 -3.207  1.000 14.719 0 53  ASP A CG  1 ? 
ATOM   392  O  OD1 . ASP A 1 53  ? -10.645 -28.243 -4.234  1.000 13.542 0 53  ASP A OD1 1 ? 
ATOM   393  O  OD2 . ASP A 1 53  ? -12.531 -28.777 -3.184  1.000 15.498 0 53  ASP A OD2 1 ? 
ATOM   394  N  N   . ASN A 1 54  ? -11.523 -25.816 -0.933  1.000 11.223 0 54  ASN A N   1 ? 
ATOM   395  C  CA  . ASN A 1 54  ? -12.241 -24.566 -0.766  1.000 12.353 0 54  ASN A CA  1 ? 
ATOM   396  C  C   . ASN A 1 54  ? -11.421 -23.671 0.162   1.000 11.562 0 54  ASN A C   1 ? 
ATOM   397  O  O   . ASN A 1 54  ? -11.198 -24.031 1.339   1.000 11.180 0 54  ASN A O   1 ? 
ATOM   398  C  CB  . ASN A 1 54  ? -13.653 -24.811 -0.262  1.000 13.183 0 54  ASN A CB  1 ? 
ATOM   399  C  CG  . ASN A 1 54  ? -14.491 -23.562 -0.305  1.000 13.382 0 54  ASN A CG  1 ? 
ATOM   400  O  OD1 . ASN A 1 54  ? -14.031 -22.457 0.016   1.000 13.421 0 54  ASN A OD1 1 ? 
ATOM   401  N  ND2 . ASN A 1 54  ? -15.733 -23.724 -0.722  1.000 16.416 0 54  ASN A ND2 1 ? 
ATOM   402  N  N   . ILE A 1 55  ? -10.947 -22.532 -0.371  1.000 10.444 0 55  ILE A N   1 ? 
ATOM   403  C  CA  . ILE A 1 55  ? -10.050 -21.659 0.369   1.000 10.772 0 55  ILE A CA  1 ? 
ATOM   404  C  C   . ILE A 1 55  ? -10.826 -20.805 1.375   1.000 11.272 0 55  ILE A C   1 ? 
ATOM   405  O  O   . ILE A 1 55  ? -10.173 -20.069 2.138   1.000 11.342 0 55  ILE A O   1 ? 
ATOM   406  C  CB  . ILE A 1 55  ? -9.173  -20.763 -0.536  1.000 10.858 0 55  ILE A CB  1 ? 
ATOM   407  C  CG1 . ILE A 1 55  ? -9.976  -19.977 -1.598  1.000 11.419 0 55  ILE A CG1 1 ? 
ATOM   408  C  CG2 . ILE A 1 55  ? -8.115  -21.632 -1.197  1.000 11.784 0 55  ILE A CG2 1 ? 
ATOM   409  C  CD1 . ILE A 1 55  ? -9.180  -18.836 -2.233  1.000 13.183 0 55  ILE A CD1 1 ? 
ATOM   410  N  N   . ASN A 1 56  ? -12.166 -20.925 1.366   1.000 10.552 0 56  ASN A N   1 ? 
ATOM   411  C  CA  . ASN A 1 56  ? -13.029 -20.144 2.251   1.000 11.419 0 56  ASN A CA  1 ? 
ATOM   412  C  C   . ASN A 1 56  ? -13.661 -20.999 3.342   1.000 11.748 0 56  ASN A C   1 ? 
ATOM   413  O  O   . ASN A 1 56  ? -14.354 -20.442 4.220   1.000 13.782 0 56  ASN A O   1 ? 
ATOM   414  C  CB  . ASN A 1 56  ? -14.075 -19.340 1.483   1.000 11.543 0 56  ASN A CB  1 ? 
ATOM   415  C  CG  . ASN A 1 56  ? -13.512 -18.024 0.987   1.000 12.546 0 56  ASN A CG  1 ? 
ATOM   416  O  OD1 . ASN A 1 56  ? -12.737 -17.338 1.684   1.000 12.980 0 56  ASN A OD1 1 ? 
ATOM   417  N  ND2 . ASN A 1 56  ? -13.918 -17.649 -0.212  1.000 14.347 0 56  ASN A ND2 1 ? 
ATOM   418  N  N   . VAL A 1 57  ? -13.439 -22.320 3.309   1.000 12.054 0 57  VAL A N   1 ? 
ATOM   419  C  CA  . VAL A 1 57  ? -14.067 -23.241 4.251   1.000 12.541 0 57  VAL A CA  1 ? 
ATOM   420  C  C   . VAL A 1 57  ? -12.987 -24.173 4.800   1.000 13.101 0 57  VAL A C   1 ? 
ATOM   421  O  O   . VAL A 1 57  ? -12.206 -24.733 4.015   1.000 12.426 0 57  VAL A O   1 ? 
ATOM   422  C  CB  . VAL A 1 57  ? -15.186 -24.047 3.567   1.000 13.160 0 57  VAL A CB  1 ? 
ATOM   423  C  CG1 . VAL A 1 57  ? -15.881 -24.992 4.551   1.000 13.719 0 57  VAL A CG1 1 ? 
ATOM   424  C  CG2 . VAL A 1 57  ? -16.233 -23.147 2.923   1.000 13.163 0 57  VAL A CG2 1 ? 
ATOM   425  N  N   . VAL A 1 58  ? -12.939 -24.357 6.126   1.000 13.205 0 58  VAL A N   1 ? 
ATOM   426  C  CA  . VAL A 1 58  ? -12.037 -25.344 6.706   1.000 13.631 0 58  VAL A CA  1 ? 
ATOM   427  C  C   . VAL A 1 58  ? -12.720 -26.692 6.534   1.000 14.409 0 58  VAL A C   1 ? 
ATOM   428  O  O   . VAL A 1 58  ? -13.801 -26.940 7.105   1.000 15.050 0 58  VAL A O   1 ? 
ATOM   429  C  CB  . VAL A 1 58  ? -11.680 -25.072 8.184   1.000 15.096 0 58  VAL A CB  1 ? 
ATOM   430  C  CG1 . VAL A 1 58  ? -10.714 -26.122 8.750   1.000 17.184 0 58  VAL A CG1 1 ? 
ATOM   431  C  CG2 . VAL A 1 58  ? -11.116 -23.675 8.326   1.000 15.445 0 58  VAL A CG2 1 ? 
ATOM   432  N  N   . GLU A 1 59  ? -12.090 -27.570 5.744   1.000 14.210 0 59  GLU A N   1 ? 
ATOM   433  C  CA  . GLU A 1 59  ? -12.701 -28.837 5.376   1.000 16.053 0 59  GLU A CA  1 ? 
ATOM   434  C  C   . GLU A 1 59  ? -12.058 -30.003 6.104   1.000 18.957 0 59  GLU A C   1 ? 
ATOM   435  O  O   . GLU A 1 59  ? -12.669 -31.061 6.113   1.000 18.083 0 59  GLU A O   1 ? 
ATOM   436  C  CB  . GLU A 1 59  ? -12.704 -29.061 3.859   1.000 17.083 0 59  GLU A CB  1 ? 
ATOM   437  C  CG  . GLU A 1 59  ? -13.380 -27.919 3.102   1.000 17.993 0 59  GLU A CG  1 ? 
ATOM   438  C  CD  . GLU A 1 59  ? -13.369 -28.081 1.590   1.000 21.157 0 59  GLU A CD  1 ? 
ATOM   439  O  OE1 . GLU A 1 59  ? -12.307 -27.838 0.951   1.000 20.507 0 59  GLU A OE1 1 ? 
ATOM   440  O  OE2 . GLU A 1 59  ? -14.429 -28.469 1.064   1.000 20.533 0 59  GLU A OE2 1 ? 
ATOM   441  N  N   . GLY A 1 60  ? -10.842 -29.844 6.659   1.000 20.101 0 60  GLY A N   1 ? 
ATOM   442  C  CA  . GLY A 1 60  ? -10.252 -30.887 7.488   1.000 20.585 0 60  GLY A CA  1 ? 
ATOM   443  C  C   . GLY A 1 60  ? -8.876  -31.406 7.051   1.000 21.745 0 60  GLY A C   1 ? 
ATOM   444  O  O   . GLY A 1 60  ? -8.200  -32.077 7.837   1.000 20.097 0 60  GLY A O   1 ? 
ATOM   445  N  N   . ASN A 1 61  ? -8.422  -31.094 5.837   1.000 19.837 0 61  ASN A N   1 ? 
ATOM   446  C  CA  . ASN A 1 61  ? -7.131  -31.590 5.388   1.000 20.233 0 61  ASN A CA  1 ? 
ATOM   447  C  C   . ASN A 1 61  ? -6.044  -30.511 5.365   1.000 17.331 0 61  ASN A C   1 ? 
ATOM   448  O  O   . ASN A 1 61  ? -4.962  -30.768 4.873   1.000 16.317 0 61  ASN A O   1 ? 
ATOM   449  C  CB  . ASN A 1 61  ? -7.250  -32.256 4.028   1.000 21.252 0 61  ASN A CB  1 ? 
ATOM   450  C  CG  . ASN A 1 61  ? -8.022  -33.544 4.141   1.000 24.908 0 61  ASN A CG  1 ? 
ATOM   451  O  OD1 . ASN A 1 61  ? -7.635  -34.434 4.903   1.000 27.879 0 61  ASN A OD1 1 ? 
ATOM   452  N  ND2 . ASN A 1 61  ? -9.139  -33.637 3.443   1.000 26.464 0 61  ASN A ND2 1 ? 
ATOM   453  N  N   . GLU A 1 62  ? -6.318  -29.320 5.904   1.000 17.047 0 62  GLU A N   1 ? 
ATOM   454  C  CA  . GLU A 1 62  ? -5.442  -28.174 5.742   1.000 14.293 0 62  GLU A CA  1 ? 
ATOM   455  C  C   . GLU A 1 62  ? -4.266  -28.221 6.708   1.000 14.703 0 62  GLU A C   1 ? 
ATOM   456  O  O   . GLU A 1 62  ? -4.351  -28.751 7.809   1.000 15.345 0 62  GLU A O   1 ? 
ATOM   457  C  CB  . GLU A 1 62  ? -6.142  -26.840 5.991   1.000 14.631 0 62  GLU A CB  1 ? 
ATOM   458  C  CG  . GLU A 1 62  ? -7.274  -26.577 5.001   1.000 14.308 0 62  GLU A CG  1 ? 
ATOM   459  C  CD  . GLU A 1 62  ? -8.659  -27.066 5.432   1.000 14.152 0 62  GLU A CD  1 ? 
ATOM   460  O  OE1 . GLU A 1 62  ? -8.776  -27.817 6.410   1.000 12.774 0 62  GLU A OE1 1 ? 
ATOM   461  O  OE2 . GLU A 1 62  ? -9.659  -26.684 4.741   1.000 13.412 0 62  GLU A OE2 1 ? 
ATOM   462  N  N   . GLN A 1 63  ? -3.154  -27.658 6.250   1.000 14.325 0 63  GLN A N   1 ? 
ATOM   463  C  CA  . GLN A 1 63  ? -2.033  -27.292 7.102   1.000 13.978 0 63  GLN A CA  1 ? 
ATOM   464  C  C   . GLN A 1 63  ? -1.682  -25.851 6.793   1.000 15.257 0 63  GLN A C   1 ? 
ATOM   465  O  O   . GLN A 1 63  ? -1.438  -25.543 5.623   1.000 15.788 0 63  GLN A O   1 ? 
ATOM   466  C  CB  . GLN A 1 63  ? -0.835  -28.183 6.832   1.000 15.337 0 63  GLN A CB  1 ? 
ATOM   467  C  CG  . GLN A 1 63  ? -1.093  -29.623 7.232   1.000 15.608 0 63  GLN A CG  1 ? 
ATOM   468  C  CD  . GLN A 1 63  ? 0.046   -30.549 6.881   1.000 16.644 0 63  GLN A CD  1 ? 
ATOM   469  O  OE1 . GLN A 1 63  ? 1.198   -30.315 7.234   1.000 18.127 0 63  GLN A OE1 1 ? 
ATOM   470  N  NE2 . GLN A 1 63  ? -0.263  -31.648 6.236   1.000 16.447 0 63  GLN A NE2 1 ? 
ATOM   471  N  N   . PHE A 1 64  ? -1.619  -25.025 7.848   1.000 13.277 0 64  PHE A N   1 ? 
ATOM   472  C  CA  . PHE A 1 64  ? -1.344  -23.601 7.752   1.000 14.205 0 64  PHE A CA  1 ? 
ATOM   473  C  C   . PHE A 1 64  ? -0.018  -23.338 8.469   1.000 16.188 0 64  PHE A C   1 ? 
ATOM   474  O  O   . PHE A 1 64  ? 0.085   -23.579 9.672   1.000 16.962 0 64  PHE A O   1 ? 
ATOM   475  C  CB  . PHE A 1 64  ? -2.400  -22.715 8.412   1.000 15.279 0 64  PHE A CB  1 ? 
ATOM   476  C  CG  . PHE A 1 64  ? -3.806  -22.747 7.831   1.000 16.447 0 64  PHE A CG  1 ? 
ATOM   477  C  CD1 . PHE A 1 64  ? -4.090  -23.326 6.596   1.000 17.128 0 64  PHE A CD1 1 ? 
ATOM   478  C  CD2 . PHE A 1 64  ? -4.856  -22.166 8.540   1.000 19.297 0 64  PHE A CD2 1 ? 
ATOM   479  C  CE1 . PHE A 1 64  ? -5.389  -23.336 6.100   1.000 15.727 0 64  PHE A CE1 1 ? 
ATOM   480  C  CE2 . PHE A 1 64  ? -6.149  -22.171 8.031   1.000 19.422 0 64  PHE A CE2 1 ? 
ATOM   481  C  CZ  . PHE A 1 64  ? -6.413  -22.789 6.847   1.000 17.875 0 64  PHE A CZ  1 ? 
ATOM   482  N  N   . ILE A 1 65  ? 0.990   -22.915 7.697   1.000 13.639 0 65  ILE A N   1 ? 
ATOM   483  C  CA  . ILE A 1 65  ? 2.351   -22.768 8.194   1.000 15.284 0 65  ILE A CA  1 ? 
ATOM   484  C  C   . ILE A 1 65  ? 2.922   -21.440 7.707   1.000 14.935 0 65  ILE A C   1 ? 
ATOM   485  O  O   . ILE A 1 65  ? 2.930   -21.144 6.516   1.000 14.929 0 65  ILE A O   1 ? 
ATOM   486  C  CB  . ILE A 1 65  ? 3.234   -23.952 7.752   1.000 15.414 0 65  ILE A CB  1 ? 
ATOM   487  C  CG1 . ILE A 1 65  ? 2.575   -25.303 8.051   1.000 17.366 0 65  ILE A CG1 1 ? 
ATOM   488  C  CG2 . ILE A 1 65  ? 4.643   -23.885 8.362   1.000 15.307 0 65  ILE A CG2 1 ? 
ATOM   489  C  CD1 . ILE A 1 65  ? 3.341   -26.512 7.555   1.000 19.298 0 65  ILE A CD1 1 ? 
ATOM   490  N  N   . SER A 1 66  ? 3.494   -20.668 8.633   1.000 15.567 0 66  SER A N   1 ? 
ATOM   491  C  CA  . SER A 1 66  ? 4.120   -19.391 8.313   1.000 16.619 0 66  SER A CA  1 ? 
ATOM   492  C  C   . SER A 1 66  ? 5.416   -19.606 7.544   1.000 14.435 0 66  SER A C   1 ? 
ATOM   493  O  O   . SER A 1 66  ? 6.125   -20.586 7.758   1.000 16.137 0 66  SER A O   1 ? 
ATOM   494  C  CB  . SER A 1 66  ? 4.464   -18.610 9.554   1.000 18.816 0 66  SER A CB  1 ? 
ATOM   495  O  OG  . SER A 1 66  ? 3.299   -18.260 10.273  1.000 22.203 0 66  SER A OG  1 ? 
ATOM   496  N  N   . ALA A 1 67  ? 5.738   -18.637 6.697   1.000 14.408 0 67  ALA A N   1 ? 
ATOM   497  C  CA  . ALA A 1 67  ? 7.012   -18.624 6.020   1.000 14.473 0 67  ALA A CA  1 ? 
ATOM   498  C  C   . ALA A 1 67  ? 8.060   -18.096 7.000   1.000 15.442 0 67  ALA A C   1 ? 
ATOM   499  O  O   . ALA A 1 67  ? 7.799   -17.121 7.693   1.000 15.091 0 67  ALA A O   1 ? 
ATOM   500  C  CB  . ALA A 1 67  ? 6.911   -17.759 4.790   1.000 15.992 0 67  ALA A CB  1 ? 
ATOM   501  N  N   . SER A 1 68  ? 9.253   -18.695 7.022   1.000 15.279 0 68  SER A N   1 ? 
ATOM   502  C  CA  . SER A 1 68  ? 10.361  -18.162 7.800   1.000 15.566 0 68  SER A CA  1 ? 
ATOM   503  C  C   . SER A 1 68  ? 11.237  -17.261 6.955   1.000 15.926 0 68  SER A C   1 ? 
ATOM   504  O  O   . SER A 1 68  ? 11.860  -16.343 7.484   1.000 15.526 0 68  SER A O   1 ? 
ATOM   505  C  CB  . SER A 1 68  ? 11.214  -19.213 8.398   1.000 18.267 0 68  SER A CB  1 ? 
ATOM   506  O  OG  . SER A 1 68  ? 11.566  -20.171 7.445   1.000 22.450 0 68  SER A OG  1 ? 
ATOM   507  N  N   . LYS A 1 69  ? 11.339  -17.569 5.657   1.000 14.717 0 69  LYS A N   1 ? 
ATOM   508  C  CA  . LYS A 1 69  ? 12.236  -16.805 4.787   1.000 16.896 0 69  LYS A CA  1 ? 
ATOM   509  C  C   . LYS A 1 69  ? 11.766  -16.912 3.342   1.000 16.114 0 69  LYS A C   1 ? 
ATOM   510  O  O   . LYS A 1 69  ? 11.294  -17.969 2.949   1.000 13.592 0 69  LYS A O   1 ? 
ATOM   511  C  CB  . LYS A 1 69  ? 13.657  -17.314 5.054   1.000 22.217 0 69  LYS A CB  1 ? 
ATOM   512  C  CG  . LYS A 1 69  ? 14.495  -17.770 3.900   1.000 27.076 0 69  LYS A CG  1 ? 
ATOM   513  C  CD  . LYS A 1 69  ? 15.812  -18.392 4.349   1.000 30.095 0 69  LYS A CD  1 ? 
ATOM   514  C  CE  . LYS A 1 69  ? 16.792  -17.422 4.947   1.000 32.655 0 69  LYS A CE  1 ? 
ATOM   515  N  NZ  . LYS A 1 69  ? 18.031  -18.127 5.305   1.000 31.579 0 69  LYS A NZ  1 ? 
ATOM   516  N  N   . SER A 1 70  ? 11.912  -15.812 2.584   1.000 14.584 0 70  SER A N   1 ? 
ATOM   517  C  CA  . SER A 1 70  ? 11.677  -15.828 1.149   1.000 14.847 0 70  SER A CA  1 ? 
ATOM   518  C  C   . SER A 1 70  ? 12.956  -15.447 0.425   1.000 12.351 0 70  SER A C   1 ? 
ATOM   519  O  O   . SER A 1 70  ? 13.691  -14.563 0.892   1.000 12.355 0 70  SER A O   1 ? 
ATOM   520  C  CB  . SER A 1 70  ? 10.572  -14.900 0.745   1.000 16.281 0 70  SER A CB  1 ? 
ATOM   521  O  OG  . SER A 1 70  ? 9.378   -15.315 1.403   1.000 21.850 0 70  SER A OG  1 ? 
ATOM   522  N  N   . ILE A 1 71  ? 13.190  -16.121 -0.694  1.000 10.866 0 71  ILE A N   1 ? 
ATOM   523  C  CA  . ILE A 1 71  ? 14.353  -15.871 -1.538  1.000 11.410 0 71  ILE A CA  1 ? 
ATOM   524  C  C   . ILE A 1 71  ? 13.895  -15.702 -2.978  1.000 10.797 0 71  ILE A C   1 ? 
ATOM   525  O  O   . ILE A 1 71  ? 13.526  -16.677 -3.626  1.000 10.277 0 71  ILE A O   1 ? 
ATOM   526  C  CB  . ILE A 1 71  ? 15.336  -17.032 -1.389  1.000 13.041 0 71  ILE A CB  1 ? 
ATOM   527  C  CG1 . ILE A 1 71  ? 15.673  -17.269 0.091   1.000 14.893 0 71  ILE A CG1 1 ? 
ATOM   528  C  CG2 . ILE A 1 71  ? 16.585  -16.797 -2.244  1.000 13.453 0 71  ILE A CG2 1 ? 
ATOM   529  C  CD1 . ILE A 1 71  ? 16.637  -18.410 0.336   1.000 16.657 0 71  ILE A CD1 1 ? 
ATOM   530  N  N   . VAL A 1 72  ? 13.943  -14.459 -3.457  1.000 10.924 0 72  VAL A N   1 ? 
ATOM   531  C  CA  . VAL A 1 72  ? 13.686  -14.132 -4.854  1.000 10.506 0 72  VAL A CA  1 ? 
ATOM   532  C  C   . VAL A 1 72  ? 14.980  -14.430 -5.600  1.000 10.726 0 72  VAL A C   1 ? 
ATOM   533  O  O   . VAL A 1 72  ? 16.083  -14.219 -5.067  1.000 9.733  0 72  VAL A O   1 ? 
ATOM   534  C  CB  . VAL A 1 72  ? 13.245  -12.651 -4.932  1.000 11.217 0 72  VAL A CB  1 ? 
ATOM   535  C  CG1 . VAL A 1 72  ? 13.305  -12.046 -6.332  1.000 11.367 0 72  VAL A CG1 1 ? 
ATOM   536  C  CG2 . VAL A 1 72  ? 11.881  -12.488 -4.270  1.000 10.869 0 72  VAL A CG2 1 ? 
ATOM   537  N  N   . HIS A 1 73  ? 14.829  -14.987 -6.794  1.000 10.102 0 73  HIS A N   1 ? 
ATOM   538  C  CA  . HIS A 1 73  ? 15.961  -15.279 -7.662  1.000 9.914  0 73  HIS A CA  1 ? 
ATOM   539  C  C   . HIS A 1 73  ? 16.878  -14.062 -7.778  1.000 10.703 0 73  HIS A C   1 ? 
ATOM   540  O  O   . HIS A 1 73  ? 16.397  -12.915 -7.889  1.000 9.820  0 73  HIS A O   1 ? 
ATOM   541  C  CB  . HIS A 1 73  ? 15.478  -15.735 -9.043  1.000 10.193 0 73  HIS A CB  1 ? 
ATOM   542  C  CG  . HIS A 1 73  ? 16.611  -16.268 -9.817  1.000 10.396 0 73  HIS A CG  1 ? 
ATOM   543  N  ND1 . HIS A 1 73  ? 17.486  -15.482 -10.515 1.000 11.145 0 73  HIS A ND1 1 ? 
ATOM   544  C  CD2 . HIS A 1 73  ? 16.975  -17.525 -10.023 1.000 10.459 0 73  HIS A CD2 1 ? 
ATOM   545  C  CE1 . HIS A 1 73  ? 18.396  -16.254 -11.088 1.000 10.293 0 73  HIS A CE1 1 ? 
ATOM   546  N  NE2 . HIS A 1 73  ? 18.097  -17.504 -10.816 1.000 10.814 0 73  HIS A NE2 1 ? 
ATOM   547  N  N   . PRO A 1 74  ? 18.220  -14.260 -7.708  1.000 11.040 0 74  PRO A N   1 ? 
ATOM   548  C  CA  . PRO A 1 74  ? 19.175  -13.139 -7.736  1.000 12.399 0 74  PRO A CA  1 ? 
ATOM   549  C  C   . PRO A 1 74  ? 19.095  -12.227 -8.951  1.000 12.928 0 74  PRO A C   1 ? 
ATOM   550  O  O   . PRO A 1 74  ? 19.407  -11.036 -8.815  1.000 13.872 0 74  PRO A O   1 ? 
ATOM   551  C  CB  . PRO A 1 74  ? 20.577  -13.849 -7.623  1.000 12.573 0 74  PRO A CB  1 ? 
ATOM   552  C  CG  . PRO A 1 74  ? 20.292  -15.279 -7.946  1.000 13.310 0 74  PRO A CG  1 ? 
ATOM   553  C  CD  . PRO A 1 74  ? 18.919  -15.507 -7.379  1.000 11.839 0 74  PRO A CD  1 ? 
ATOM   554  N  N   . SER A 1 75  ? 18.600  -12.758 -10.077 1.000 12.478 0 75  SER A N   1 ? 
ATOM   555  C  CA  . SER A 1 75  ? 18.557  -12.047 -11.351 1.000 12.297 0 75  SER A CA  1 ? 
ATOM   556  C  C   . SER A 1 75  ? 17.126  -11.725 -11.787 1.000 12.382 0 75  SER A C   1 ? 
ATOM   557  O  O   . SER A 1 75  ? 16.891  -11.331 -12.929 1.000 12.683 0 75  SER A O   1 ? 
ATOM   558  C  CB  . SER A 1 75  ? 19.305  -12.812 -12.450 1.000 13.281 0 75  SER A CB  1 ? 
ATOM   559  O  OG  . SER A 1 75  ? 20.585  -13.189 -11.978 1.000 16.936 0 75  SER A OG  1 ? 
ATOM   560  N  N   . TYR A 1 76  ? 16.172  -11.749 -10.856 1.000 11.264 0 76  TYR A N   1 ? 
ATOM   561  C  CA  . TYR A 1 76  ? 14.812  -11.355 -11.180 1.000 11.692 0 76  TYR A CA  1 ? 
ATOM   562  C  C   . TYR A 1 76  ? 14.764  -9.904  -11.685 1.000 12.711 0 76  TYR A C   1 ? 
ATOM   563  O  O   . TYR A 1 76  ? 15.304  -8.994  -11.079 1.000 13.072 0 76  TYR A O   1 ? 
ATOM   564  C  CB  . TYR A 1 76  ? 13.907  -11.543 -9.963  1.000 11.234 0 76  TYR A CB  1 ? 
ATOM   565  C  CG  . TYR A 1 76  ? 12.487  -11.033 -10.165 1.000 12.578 0 76  TYR A CG  1 ? 
ATOM   566  C  CD1 . TYR A 1 76  ? 11.682  -11.504 -11.202 1.000 12.236 0 76  TYR A CD1 1 ? 
ATOM   567  C  CD2 . TYR A 1 76  ? 11.955  -10.048 -9.331  1.000 12.121 0 76  TYR A CD2 1 ? 
ATOM   568  C  CE1 . TYR A 1 76  ? 10.411  -11.009 -11.411 1.000 13.141 0 76  TYR A CE1 1 ? 
ATOM   569  C  CE2 . TYR A 1 76  ? 10.676  -9.553  -9.514  1.000 13.093 0 76  TYR A CE2 1 ? 
ATOM   570  C  CZ  . TYR A 1 76  ? 9.881   -10.088 -10.524 1.000 13.131 0 76  TYR A CZ  1 ? 
ATOM   571  O  OH  . TYR A 1 76  ? 8.625   -9.631  -10.704 1.000 12.594 0 76  TYR A OH  1 ? 
ATOM   572  N  N   . ASN A 1 77  ? 14.079  -9.704  -12.820 1.000 12.913 0 77  ASN A N   1 ? 
ATOM   573  C  CA  . ASN A 1 77  ? 13.837  -8.384  -13.381 1.000 15.218 0 77  ASN A CA  1 ? 
ATOM   574  C  C   . ASN A 1 77  ? 12.322  -8.138  -13.456 1.000 15.146 0 77  ASN A C   1 ? 
ATOM   575  O  O   . ASN A 1 77  ? 11.587  -8.810  -14.205 1.000 14.456 0 77  ASN A O   1 ? 
ATOM   576  C  CB  . ASN A 1 77  ? 14.578  -8.292  -14.709 1.000 15.524 0 77  ASN A CB  1 ? 
ATOM   577  C  CG  . ASN A 1 77  ? 14.361  -6.974  -15.397 1.000 18.410 0 77  ASN A CG  1 ? 
ATOM   578  O  OD1 . ASN A 1 77  ? 13.355  -6.288  -15.170 1.000 19.384 0 77  ASN A OD1 1 ? 
ATOM   579  N  ND2 . ASN A 1 77  ? 15.290  -6.606  -16.258 1.000 19.558 0 77  ASN A ND2 1 ? 
ATOM   580  N  N   . SER A 1 78  ? 11.831  -7.202  -12.619 1.000 14.928 0 78  SER A N   1 ? 
ATOM   581  C  CA  . SER A 1 78  ? 10.409  -6.977  -12.460 1.000 14.379 0 78  SER A CA  1 ? 
ATOM   582  C  C   . SER A 1 78  ? 9.837   -6.246  -13.683 1.000 14.108 0 78  SER A C   1 ? 
ATOM   583  O  O   . SER A 1 78  ? 8.633   -6.253  -13.884 1.000 15.959 0 78  SER A O   1 ? 
ATOM   584  C  CB  . SER A 1 78  ? 10.107  -6.222  -11.203 1.000 15.146 0 78  SER A CB  1 ? 
ATOM   585  O  OG  . SER A 1 78  ? 10.695  -4.930  -11.266 1.000 14.426 0 78  SER A OG  1 ? 
ATOM   586  N  N   . ASN A 1 79  ? 10.679  -5.639  -14.519 1.000 12.664 0 79  ASN A N   1 ? 
ATOM   587  C  CA  . ASN A 1 79  ? 10.163  -5.040  -15.748 1.000 14.967 0 79  ASN A CA  1 ? 
ATOM   588  C  C   . ASN A 1 79  ? 9.846   -6.107  -16.796 1.000 15.132 0 79  ASN A C   1 ? 
ATOM   589  O  O   . ASN A 1 79  ? 8.810   -6.000  -17.450 1.000 18.434 0 79  ASN A O   1 ? 
ATOM   590  C  CB  . ASN A 1 79  ? 11.123  -3.974  -16.280 1.000 16.720 0 79  ASN A CB  1 ? 
ATOM   591  C  CG  . ASN A 1 79  ? 11.223  -2.784  -15.355 1.000 16.767 0 79  ASN A CG  1 ? 
ATOM   592  O  OD1 . ASN A 1 79  ? 10.239  -2.391  -14.730 1.000 16.998 0 79  ASN A OD1 1 ? 
ATOM   593  N  ND2 . ASN A 1 79  ? 12.402  -2.205  -15.272 1.000 18.410 0 79  ASN A ND2 1 ? 
ATOM   594  N  N   . THR A 1 80  ? 10.721  -7.122  -16.974 1.000 14.002 0 80  THR A N   1 ? 
ATOM   595  C  CA  . THR A 1 80  ? 10.632  -8.088  -18.057 1.000 14.449 0 80  THR A CA  1 ? 
ATOM   596  C  C   . THR A 1 80  ? 10.074  -9.439  -17.579 1.000 15.407 0 80  THR A C   1 ? 
ATOM   597  O  O   . THR A 1 80  ? 9.698   -10.296 -18.403 1.000 14.223 0 80  THR A O   1 ? 
ATOM   598  C  CB  . THR A 1 80  ? 12.006  -8.279  -18.710 1.000 14.354 0 80  THR A CB  1 ? 
ATOM   599  O  OG1 . THR A 1 80  ? 12.879  -8.813  -17.714 1.000 13.748 0 80  THR A OG1 1 ? 
ATOM   600  C  CG2 . THR A 1 80  ? 12.597  -7.024  -19.321 1.000 15.589 0 80  THR A CG2 1 ? 
ATOM   601  N  N   . LEU A 1 81  ? 9.983   -9.624  -16.240 1.000 13.851 0 81  LEU A N   1 ? 
ATOM   602  C  CA  . LEU A 1 81  ? 9.612   -10.872 -15.578 1.000 13.640 0 81  LEU A CA  1 ? 
ATOM   603  C  C   . LEU A 1 81  ? 10.587  -11.995 -15.945 1.000 12.492 0 81  LEU A C   1 ? 
ATOM   604  O  O   . LEU A 1 81  ? 10.292  -13.173 -15.739 1.000 12.352 0 81  LEU A O   1 ? 
ATOM   605  C  CB  . LEU A 1 81  ? 8.157   -11.264 -15.842 1.000 17.388 0 81  LEU A CB  1 ? 
ATOM   606  C  CG  . LEU A 1 81  ? 7.069   -10.342 -15.279 1.000 19.929 0 81  LEU A CG  1 ? 
ATOM   607  C  CD1 . LEU A 1 81  ? 5.711   -11.030 -15.375 1.000 20.995 0 81  LEU A CD1 1 ? 
ATOM   608  C  CD2 . LEU A 1 81  ? 7.304   -9.853  -13.866 1.000 20.967 0 81  LEU A CD2 1 ? 
ATOM   609  N  N   . ASN A 1 82  ? 11.802  -11.645 -16.384 1.000 11.683 0 82  ASN A N   1 ? 
ATOM   610  C  CA  . ASN A 1 82  ? 12.830  -12.657 -16.532 1.000 11.685 0 82  ASN A CA  1 ? 
ATOM   611  C  C   . ASN A 1 82  ? 13.274  -13.162 -15.149 1.000 12.326 0 82  ASN A C   1 ? 
ATOM   612  O  O   . ASN A 1 82  ? 13.475  -12.360 -14.242 1.000 12.024 0 82  ASN A O   1 ? 
ATOM   613  C  CB  . ASN A 1 82  ? 13.980  -12.074 -17.330 1.000 11.819 0 82  ASN A CB  1 ? 
ATOM   614  C  CG  . ASN A 1 82  ? 14.921  -13.112 -17.858 1.000 12.651 0 82  ASN A CG  1 ? 
ATOM   615  O  OD1 . ASN A 1 82  ? 14.527  -14.241 -18.156 1.000 12.699 0 82  ASN A OD1 1 ? 
ATOM   616  N  ND2 . ASN A 1 82  ? 16.152  -12.685 -18.020 1.000 14.831 0 82  ASN A ND2 1 ? 
ATOM   617  N  N   . ASN A 1 83  ? 13.410  -14.486 -15.023 1.000 11.155 0 83  ASN A N   1 ? 
ATOM   618  C  CA  . ASN A 1 83  ? 13.776  -15.152 -13.790 1.000 11.084 0 83  ASN A CA  1 ? 
ATOM   619  C  C   . ASN A 1 83  ? 12.681  -14.986 -12.739 1.000 10.206 0 83  ASN A C   1 ? 
ATOM   620  O  O   . ASN A 1 83  ? 12.983  -14.683 -11.595 1.000 12.021 0 83  ASN A O   1 ? 
ATOM   621  C  CB  . ASN A 1 83  ? 15.138  -14.708 -13.277 1.000 11.483 0 83  ASN A CB  1 ? 
ATOM   622  C  CG  . ASN A 1 83  ? 16.226  -14.808 -14.322 1.000 11.083 0 83  ASN A CG  1 ? 
ATOM   623  O  OD1 . ASN A 1 83  ? 16.544  -15.899 -14.783 1.000 13.476 0 83  ASN A OD1 1 ? 
ATOM   624  N  ND2 . ASN A 1 83  ? 16.759  -13.679 -14.725 1.000 11.931 0 83  ASN A ND2 1 ? 
ATOM   625  N  N   . ASP A 1 84  ? 11.418  -15.216 -13.149 1.000 9.386  0 84  ASP A N   1 ? 
ATOM   626  C  CA  . ASP A 1 84  ? 10.278  -15.030 -12.262 1.000 8.834  0 84  ASP A CA  1 ? 
ATOM   627  C  C   . ASP A 1 84  ? 10.091  -16.301 -11.431 1.000 9.115  0 84  ASP A C   1 ? 
ATOM   628  O  O   . ASP A 1 84  ? 9.201   -17.127 -11.679 1.000 10.400 0 84  ASP A O   1 ? 
ATOM   629  C  CB  . ASP A 1 84  ? 9.038   -14.668 -13.068 1.000 9.371  0 84  ASP A CB  1 ? 
ATOM   630  C  CG  . ASP A 1 84  ? 7.869   -14.215 -12.208 1.000 9.661  0 84  ASP A CG  1 ? 
ATOM   631  O  OD1 . ASP A 1 84  ? 8.096   -13.965 -11.017 1.000 10.734 0 84  ASP A OD1 1 ? 
ATOM   632  O  OD2 . ASP A 1 84  ? 6.732   -14.138 -12.733 1.000 10.645 0 84  ASP A OD2 1 ? 
ATOM   633  N  N   . ILE A 1 85  ? 10.878  -16.385 -10.354 1.000 9.284  0 85  ILE A N   1 ? 
ATOM   634  C  CA  . ILE A 1 85  ? 10.883  -17.565 -9.517  1.000 9.589  0 85  ILE A CA  1 ? 
ATOM   635  C  C   . ILE A 1 85  ? 11.389  -17.164 -8.129  1.000 9.151  0 85  ILE A C   1 ? 
ATOM   636  O  O   . ILE A 1 85  ? 12.281  -16.329 -8.021  1.000 8.530  0 85  ILE A O   1 ? 
ATOM   637  C  CB  . ILE A 1 85  ? 11.714  -18.707 -10.149 1.000 10.998 0 85  ILE A CB  1 ? 
ATOM   638  C  CG1 . ILE A 1 85  ? 11.579  -20.039 -9.384  1.000 11.608 0 85  ILE A CG1 1 ? 
ATOM   639  C  CG2 . ILE A 1 85  ? 13.182  -18.327 -10.370 1.000 10.476 0 85  ILE A CG2 1 ? 
ATOM   640  C  CD1 . ILE A 1 85  ? 12.329  -21.211 -9.989  1.000 13.035 0 85  ILE A CD1 1 ? 
ATOM   641  N  N   . MET A 1 86  ? 10.783  -17.739 -7.094  1.000 9.459  0 86  MET A N   1 ? 
ATOM   642  C  CA  . MET A 1 86  ? 11.104  -17.440 -5.701  1.000 10.143 0 86  MET A CA  1 ? 
ATOM   643  C  C   . MET A 1 86  ? 10.958  -18.736 -4.889  1.000 9.037  0 86  MET A C   1 ? 
ATOM   644  O  O   . MET A 1 86  ? 10.112  -19.575 -5.192  1.000 10.958 0 86  MET A O   1 ? 
ATOM   645  C  CB  . MET A 1 86  ? 10.116  -16.379 -5.195  1.000 13.381 0 86  MET A CB  1 ? 
ATOM   646  C  CG  . MET A 1 86  ? 10.126  -16.070 -3.733  1.000 16.846 0 86  MET A CG  1 ? 
ATOM   647  S  SD  . MET A 1 86  ? 8.837   -14.850 -3.336  1.000 18.794 0 86  MET A SD  1 ? 
ATOM   648  C  CE  . MET A 1 86  ? 7.291   -15.532 -3.890  1.000 17.201 0 86  MET A CE  1 ? 
ATOM   649  N  N   . LEU A 1 87  ? 11.802  -18.913 -3.867  1.000 9.489  0 87  LEU A N   1 ? 
ATOM   650  C  CA  . LEU A 1 87  ? 11.661  -19.994 -2.895  1.000 10.440 0 87  LEU A CA  1 ? 
ATOM   651  C  C   . LEU A 1 87  ? 11.153  -19.465 -1.555  1.000 10.132 0 87  LEU A C   1 ? 
ATOM   652  O  O   . LEU A 1 87  ? 11.497  -18.363 -1.143  1.000 11.094 0 87  LEU A O   1 ? 
ATOM   653  C  CB  . LEU A 1 87  ? 13.019  -20.657 -2.706  1.000 12.632 0 87  LEU A CB  1 ? 
ATOM   654  C  CG  . LEU A 1 87  ? 13.468  -21.499 -3.901  1.000 14.138 0 87  LEU A CG  1 ? 
ATOM   655  C  CD1 . LEU A 1 87  ? 14.911  -21.902 -3.736  1.000 14.427 0 87  LEU A CD1 1 ? 
ATOM   656  C  CD2 . LEU A 1 87  ? 12.571  -22.696 -4.072  1.000 14.833 0 87  LEU A CD2 1 ? 
ATOM   657  N  N   . ILE A 1 88  ? 10.334  -20.261 -0.878  1.000 11.219 0 88  ILE A N   1 ? 
ATOM   658  C  CA  . ILE A 1 88  ? 9.788   -19.900 0.422   1.000 11.585 0 88  ILE A CA  1 ? 
ATOM   659  C  C   . ILE A 1 88  ? 10.084  -21.072 1.347   1.000 10.921 0 88  ILE A C   1 ? 
ATOM   660  O  O   . ILE A 1 88  ? 9.719   -22.179 1.017   1.000 11.279 0 88  ILE A O   1 ? 
ATOM   661  C  CB  . ILE A 1 88  ? 8.274   -19.636 0.347   1.000 13.351 0 88  ILE A CB  1 ? 
ATOM   662  C  CG1 . ILE A 1 88  ? 7.954   -18.473 -0.561  1.000 14.631 0 88  ILE A CG1 1 ? 
ATOM   663  C  CG2 . ILE A 1 88  ? 7.678   -19.441 1.741   1.000 16.301 0 88  ILE A CG2 1 ? 
ATOM   664  C  CD1 . ILE A 1 88  ? 6.497   -18.377 -0.945  1.000 17.211 0 88  ILE A CD1 1 ? 
ATOM   665  N  N   . LYS A 1 89  ? 10.748  -20.834 2.477   1.000 10.343 0 89  LYS A N   1 ? 
ATOM   666  C  CA  . LYS A 1 89  ? 10.989  -21.873 3.449   1.000 10.935 0 89  LYS A CA  1 ? 
ATOM   667  C  C   . LYS A 1 89  ? 9.949   -21.735 4.560   1.000 10.965 0 89  LYS A C   1 ? 
ATOM   668  O  O   . LYS A 1 89  ? 9.656   -20.630 5.017   1.000 13.347 0 89  LYS A O   1 ? 
ATOM   669  C  CB  . LYS A 1 89  ? 12.361  -21.696 4.119   1.000 11.883 0 89  LYS A CB  1 ? 
ATOM   670  C  CG  . LYS A 1 89  ? 12.697  -22.840 5.089   1.000 13.344 0 89  LYS A CG  1 ? 
ATOM   671  C  CD  . LYS A 1 89  ? 14.089  -22.762 5.694   1.000 15.234 0 89  LYS A CD  1 ? 
ATOM   672  C  CE  . LYS A 1 89  ? 14.560  -23.996 6.431   1.000 17.907 0 89  LYS A CE  1 ? 
ATOM   673  N  NZ  . LYS A 1 89  ? 15.796  -23.655 7.165   1.000 19.603 0 89  LYS A NZ  1 ? 
ATOM   674  N  N   . LEU A 1 90  ? 9.392   -22.857 4.976   1.000 11.859 0 90  LEU A N   1 ? 
ATOM   675  C  CA  . LEU A 1 90  ? 8.375   -22.914 6.015   1.000 13.622 0 90  LEU A CA  1 ? 
ATOM   676  C  C   . LEU A 1 90  ? 9.044   -22.921 7.388   1.000 15.431 0 90  LEU A C   1 ? 
ATOM   677  O  O   . LEU A 1 90  ? 10.147  -23.417 7.530   1.000 16.777 0 90  LEU A O   1 ? 
ATOM   678  C  CB  . LEU A 1 90  ? 7.525   -24.178 5.848   1.000 15.611 0 90  LEU A CB  1 ? 
ATOM   679  C  CG  . LEU A 1 90  ? 6.798   -24.336 4.508   1.000 17.429 0 90  LEU A CG  1 ? 
ATOM   680  C  CD1 . LEU A 1 90  ? 6.003   -25.597 4.525   1.000 18.247 0 90  LEU A CD1 1 ? 
ATOM   681  C  CD2 . LEU A 1 90  ? 5.934   -23.159 4.162   1.000 18.959 0 90  LEU A CD2 1 ? 
ATOM   682  N  N   . LYS A 1 91  ? 8.349   -22.347 8.380   1.000 16.727 0 91  LYS A N   1 ? 
ATOM   683  C  CA  . LYS A 1 91  ? 8.827   -22.282 9.748   1.000 19.673 0 91  LYS A CA  1 ? 
ATOM   684  C  C   . LYS A 1 91  ? 8.974   -23.680 10.342  1.000 20.421 0 91  LYS A C   1 ? 
ATOM   685  O  O   . LYS A 1 91  ? 9.890   -23.935 11.127  1.000 20.050 0 91  LYS A O   1 ? 
ATOM   686  C  CB  . LYS A 1 91  ? 7.852   -21.450 10.595  1.000 22.860 0 91  LYS A CB  1 ? 
ATOM   687  C  CG  . LYS A 1 91  ? 8.114   -19.956 10.603  1.000 26.746 0 91  LYS A CG  1 ? 
ATOM   688  C  CD  . LYS A 1 91  ? 7.469   -19.298 11.820  1.000 31.415 0 91  LYS A CD  1 ? 
ATOM   689  C  CE  . LYS A 1 91  ? 7.299   -17.803 11.745  1.000 33.876 0 91  LYS A CE  1 ? 
ATOM   690  N  NZ  . LYS A 1 91  ? 8.495   -17.113 11.270  1.000 38.269 0 91  LYS A NZ  1 ? 
ATOM   691  N  N   . SER A 1 92  ? 8.063   -24.592 9.987   1.000 19.859 0 92  SER A N   1 ? 
ATOM   692  C  CA  . SER A 1 92  ? 8.264   -25.994 10.308  1.000 21.664 0 92  SER A CA  1 ? 
ATOM   693  C  C   . SER A 1 92  ? 7.844   -26.852 9.121   1.000 20.762 0 92  SER A C   1 ? 
ATOM   694  O  O   . SER A 1 92  ? 7.239   -26.357 8.173   1.000 20.425 0 92  SER A O   1 ? 
ATOM   695  C  CB  . SER A 1 92  ? 7.555   -26.379 11.573  1.000 23.745 0 92  SER A CB  1 ? 
ATOM   696  O  OG  . SER A 1 92  ? 6.203   -25.987 11.501  1.000 30.437 0 92  SER A OG  1 ? 
ATOM   697  N  N   . ALA A 1 93  ? 8.237   -28.122 9.152   1.000 19.221 0 93  ALA A N   1 ? 
ATOM   698  C  CA  . ALA A 1 93  ? 7.945   -29.039 8.065   1.000 20.362 0 93  ALA A CA  1 ? 
ATOM   699  C  C   . ALA A 1 93  ? 6.464   -29.394 8.054   1.000 19.439 0 93  ALA A C   1 ? 
ATOM   700  O  O   . ALA A 1 93  ? 5.843   -29.567 9.117   1.000 19.522 0 93  ALA A O   1 ? 
ATOM   701  C  CB  . ALA A 1 93  ? 8.786   -30.267 8.212   1.000 20.329 0 93  ALA A CB  1 ? 
ATOM   702  N  N   . ALA A 1 94  ? 5.919   -29.539 6.840   1.000 19.215 0 94  ALA A N   1 ? 
ATOM   703  C  CA  . ALA A 1 94  ? 4.578   -30.062 6.657   1.000 19.509 0 94  ALA A CA  1 ? 
ATOM   704  C  C   . ALA A 1 94  ? 4.559   -31.570 6.918   1.000 18.881 0 94  ALA A C   1 ? 
ATOM   705  O  O   . ALA A 1 94  ? 5.592   -32.225 6.787   1.000 20.555 0 94  ALA A O   1 ? 
ATOM   706  C  CB  . ALA A 1 94  ? 4.126   -29.728 5.253   1.000 19.770 0 94  ALA A CB  1 ? 
ATOM   707  N  N   . SER A 1 95  ? 3.391   -32.125 7.286   1.000 18.490 0 95  SER A N   1 ? 
ATOM   708  C  CA  . SER A 1 95  ? 3.188   -33.578 7.308   1.000 19.094 0 95  SER A CA  1 ? 
ATOM   709  C  C   . SER A 1 95  ? 2.682   -34.080 5.970   1.000 19.907 0 95  SER A C   1 ? 
ATOM   710  O  O   . SER A 1 95  ? 1.583   -33.719 5.544   1.000 21.485 0 95  SER A O   1 ? 
ATOM   711  C  CB  . SER A 1 95  ? 2.184   -34.041 8.325   1.000 20.094 0 95  SER A CB  1 ? 
ATOM   712  O  OG  . SER A 1 95  ? 2.611   -33.688 9.617   1.000 26.413 0 95  SER A OG  1 ? 
ATOM   713  N  N   . LEU A 1 96  ? 3.468   -34.935 5.324   1.000 20.168 0 96  LEU A N   1 ? 
ATOM   714  C  CA  . LEU A 1 96  ? 3.144   -35.346 3.973   1.000 21.788 0 96  LEU A CA  1 ? 
ATOM   715  C  C   . LEU A 1 96  ? 2.328   -36.628 4.021   1.000 24.847 0 96  LEU A C   1 ? 
ATOM   716  O  O   . LEU A 1 96  ? 2.592   -37.482 4.860   1.000 28.157 0 96  LEU A O   1 ? 
ATOM   717  C  CB  . LEU A 1 96  ? 4.417   -35.516 3.157   1.000 22.492 0 96  LEU A CB  1 ? 
ATOM   718  C  CG  . LEU A 1 96  ? 5.340   -34.303 3.085   1.000 24.554 0 96  LEU A CG  1 ? 
ATOM   719  C  CD1 . LEU A 1 96  ? 6.589   -34.669 2.309   1.000 27.873 0 96  LEU A CD1 1 ? 
ATOM   720  C  CD2 . LEU A 1 96  ? 4.632   -33.147 2.439   1.000 26.175 0 96  LEU A CD2 1 ? 
ATOM   721  N  N   . ASN A 1 97  ? 1.328   -36.727 3.132   1.000 26.350 0 97  ASN A N   1 ? 
ATOM   722  C  CA  . ASN A 1 97  ? 0.381   -37.843 3.080   1.000 28.508 0 97  ASN A CA  1 ? 
ATOM   723  C  C   . ASN A 1 97  ? -0.158  -37.909 1.648   1.000 27.733 0 97  ASN A C   1 ? 
ATOM   724  O  O   . ASN A 1 97  ? 0.457   -37.336 0.746   1.000 28.777 0 97  ASN A O   1 ? 
ATOM   725  C  CB  . ASN A 1 97  ? -0.668  -37.734 4.194   1.000 28.611 0 97  ASN A CB  1 ? 
ATOM   726  C  CG  . ASN A 1 97  ? -1.317  -36.366 4.317   1.000 32.052 0 97  ASN A CG  1 ? 
ATOM   727  O  OD1 . ASN A 1 97  ? -1.172  -35.686 5.341   1.000 37.643 0 97  ASN A OD1 1 ? 
ATOM   728  N  ND2 . ASN A 1 97  ? -2.055  -35.935 3.311   1.000 29.799 0 97  ASN A ND2 1 ? 
ATOM   729  N  N   . SER A 1 98  ? -1.306  -38.559 1.426   1.000 27.625 0 98  SER A N   1 ? 
ATOM   730  C  CA  . SER A 1 98  ? -1.857  -38.703 0.078   1.000 29.023 0 98  SER A CA  1 ? 
ATOM   731  C  C   . SER A 1 98  ? -2.356  -37.363 -0.473  1.000 25.168 0 98  SER A C   1 ? 
ATOM   732  O  O   . SER A 1 98  ? -2.331  -37.114 -1.686  1.000 27.210 0 98  SER A O   1 ? 
ATOM   733  C  CB  . SER A 1 98  ? -2.961  -39.756 0.047   1.000 33.390 0 98  SER A CB  1 ? 
ATOM   734  O  OG  . SER A 1 98  ? -3.888  -39.625 1.130   1.000 36.827 0 98  SER A OG  1 ? 
ATOM   735  N  N   . ARG A 1 99  ? -2.751  -36.480 0.442   1.000 23.352 0 99  ARG A N   1 ? 
ATOM   736  C  CA  . ARG A 1 99  ? -3.445  -35.251 0.113   1.000 22.427 0 99  ARG A CA  1 ? 
ATOM   737  C  C   . ARG A 1 99  ? -2.549  -34.013 0.181   1.000 19.989 0 99  ARG A C   1 ? 
ATOM   738  O  O   . ARG A 1 99  ? -2.945  -32.971 -0.324  1.000 20.644 0 99  ARG A O   1 ? 
ATOM   739  C  CB  . ARG A 1 99  ? -4.613  -35.130 1.088   1.000 22.935 0 99  ARG A CB  1 ? 
ATOM   740  C  CG  . ARG A 1 99  ? -5.717  -36.147 0.850   1.000 25.296 0 99  ARG A CG  1 ? 
ATOM   741  C  CD  . ARG A 1 99  ? -6.819  -35.945 1.864   1.000 32.038 0 99  ARG A CD  1 ? 
ATOM   742  N  NE  . ARG A 1 99  ? -8.097  -36.498 1.394   1.000 40.281 0 99  ARG A NE  1 ? 
ATOM   743  C  CZ  . ARG A 1 99  ? -8.466  -37.763 1.443   1.000 47.975 0 99  ARG A CZ  1 ? 
ATOM   744  N  NH1 . ARG A 1 99  ? -7.735  -38.644 2.113   1.000 55.919 0 99  ARG A NH1 1 ? 
ATOM   745  N  NH2 . ARG A 1 99  ? -9.588  -38.133 0.845   1.000 49.217 0 99  ARG A NH2 1 ? 
ATOM   746  N  N   . VAL A 1 100 ? -1.410  -34.116 0.875   1.000 16.454 0 100 VAL A N   1 ? 
ATOM   747  C  CA  . VAL A 1 100 ? -0.342  -33.125 0.889   1.000 16.926 0 100 VAL A CA  1 ? 
ATOM   748  C  C   . VAL A 1 100 ? 0.966   -33.858 0.556   1.000 18.393 0 100 VAL A C   1 ? 
ATOM   749  O  O   . VAL A 1 100 ? 1.436   -34.744 1.292   1.000 20.846 0 100 VAL A O   1 ? 
ATOM   750  C  CB  . VAL A 1 100 ? -0.259  -32.425 2.254   1.000 16.028 0 100 VAL A CB  1 ? 
ATOM   751  C  CG1 . VAL A 1 100 ? 0.882   -31.427 2.304   1.000 15.634 0 100 VAL A CG1 1 ? 
ATOM   752  C  CG2 . VAL A 1 100 ? -1.562  -31.764 2.660   1.000 16.183 0 100 VAL A CG2 1 ? 
ATOM   753  N  N   . ALA A 1 101 ? 1.547   -33.510 -0.588  1.000 15.636 0 101 ALA A N   1 ? 
ATOM   754  C  CA  . ALA A 1 101 ? 2.651   -34.254 -1.154  1.000 17.645 0 101 ALA A CA  1 ? 
ATOM   755  C  C   . ALA A 1 101 ? 3.486   -33.295 -1.973  1.000 17.511 0 101 ALA A C   1 ? 
ATOM   756  O  O   . ALA A 1 101 ? 2.980   -32.292 -2.462  1.000 17.017 0 101 ALA A O   1 ? 
ATOM   757  C  CB  . ALA A 1 101 ? 2.166   -35.399 -2.019  1.000 18.449 0 101 ALA A CB  1 ? 
ATOM   758  N  N   . SER A 1 102 ? 4.764   -33.610 -2.098  1.000 15.956 0 102 SER A N   1 ? 
ATOM   759  C  CA  . SER A 1 102 ? 5.644   -32.783 -2.896  1.000 16.577 0 102 SER A CA  1 ? 
ATOM   760  C  C   . SER A 1 102 ? 5.623   -33.254 -4.350  1.000 16.635 0 102 SER A C   1 ? 
ATOM   761  O  O   . SER A 1 102 ? 5.159   -34.354 -4.673  1.000 15.441 0 102 SER A O   1 ? 
ATOM   762  C  CB  . SER A 1 102 ? 7.012   -32.773 -2.294  1.000 19.534 0 102 SER A CB  1 ? 
ATOM   763  O  OG  . SER A 1 102 ? 7.562   -34.079 -2.248  1.000 21.985 0 102 SER A OG  1 ? 
ATOM   764  N  N   . ILE A 1 103 ? 6.091   -32.371 -5.231  1.000 14.927 0 103 ILE A N   1 ? 
ATOM   765  C  CA  . ILE A 1 103 ? 6.209   -32.638 -6.652  1.000 15.256 0 103 ILE A CA  1 ? 
ATOM   766  C  C   . ILE A 1 103 ? 7.691   -32.674 -6.990  1.000 15.940 0 103 ILE A C   1 ? 
ATOM   767  O  O   . ILE A 1 103 ? 8.470   -31.863 -6.479  1.000 15.412 0 103 ILE A O   1 ? 
ATOM   768  C  CB  . ILE A 1 103 ? 5.408   -31.605 -7.471  1.000 14.872 0 103 ILE A CB  1 ? 
ATOM   769  C  CG1 . ILE A 1 103 ? 5.318   -31.946 -8.962  1.000 15.034 0 103 ILE A CG1 1 ? 
ATOM   770  C  CG2 . ILE A 1 103 ? 5.947   -30.188 -7.243  1.000 15.894 0 103 ILE A CG2 1 ? 
ATOM   771  C  CD1 . ILE A 1 103 ? 4.515   -33.196 -9.273  1.000 14.684 0 103 ILE A CD1 1 ? 
ATOM   772  N  N   . SER A 1 104 ? 8.080   -33.618 -7.857  1.000 17.183 0 104 SER A N   1 ? 
ATOM   773  C  CA  . SER A 1 104 ? 9.470   -33.766 -8.276  1.000 18.734 0 104 SER A CA  1 ? 
ATOM   774  C  C   . SER A 1 104 ? 9.928   -32.624 -9.188  1.000 18.100 0 104 SER A C   1 ? 
ATOM   775  O  O   . SER A 1 104 ? 9.165   -32.123 -10.002 1.000 15.733 0 104 SER A O   1 ? 
ATOM   776  C  CB  . SER A 1 104 ? 9.678   -35.090 -8.972  1.000 21.365 0 104 SER A CB  1 ? 
ATOM   777  O  OG  . SER A 1 104 ? 9.187   -36.133 -8.154  1.000 27.155 0 104 SER A OG  1 ? 
ATOM   778  N  N   . LEU A 1 105 ? 11.205  -32.238 -9.033  1.000 19.230 0 105 LEU A N   1 ? 
ATOM   779  C  CA  . LEU A 1 105 ? 11.874  -31.339 -9.958  1.000 18.913 0 105 LEU A CA  1 ? 
ATOM   780  C  C   . LEU A 1 105 ? 12.236  -32.126 -11.216 1.000 18.200 0 105 LEU A C   1 ? 
ATOM   781  O  O   . LEU A 1 105 ? 12.362  -33.336 -11.184 1.000 19.753 0 105 LEU A O   1 ? 
ATOM   782  C  CB  . LEU A 1 105 ? 13.090  -30.676 -9.304  1.000 19.830 0 105 LEU A CB  1 ? 
ATOM   783  C  CG  . LEU A 1 105 ? 12.768  -29.682 -8.176  1.000 22.068 0 105 LEU A CG  1 ? 
ATOM   784  C  CD1 . LEU A 1 105 ? 14.048  -29.150 -7.556  1.000 23.270 0 105 LEU A CD1 1 ? 
ATOM   785  C  CD2 . LEU A 1 105 ? 11.906  -28.509 -8.600  1.000 23.600 0 105 LEU A CD2 1 ? 
ATOM   786  N  N   . PRO A 1 106 ? 12.314  -31.471 -12.382 1.000 19.975 0 106 PRO A N   1 ? 
ATOM   787  C  CA  . PRO A 1 106 ? 12.657  -32.157 -13.627 1.000 20.553 0 106 PRO A CA  1 ? 
ATOM   788  C  C   . PRO A 1 106 ? 14.145  -32.485 -13.647 1.000 22.194 0 106 PRO A C   1 ? 
ATOM   789  O  O   . PRO A 1 106 ? 14.955  -31.802 -13.022 1.000 19.642 0 106 PRO A O   1 ? 
ATOM   790  C  CB  . PRO A 1 106 ? 12.257  -31.182 -14.718 1.000 21.162 0 106 PRO A CB  1 ? 
ATOM   791  C  CG  . PRO A 1 106 ? 12.303  -29.823 -14.052 1.000 20.833 0 106 PRO A CG  1 ? 
ATOM   792  C  CD  . PRO A 1 106 ? 12.080  -30.029 -12.547 1.000 20.189 0 106 PRO A CD  1 ? 
ATOM   793  N  N   . THR A 1 107 ? 14.493  -33.553 -14.365 1.000 25.724 0 107 THR A N   1 ? 
ATOM   794  C  CA  . THR A 1 107 ? 15.887  -33.854 -14.645 1.000 28.286 0 107 THR A CA  1 ? 
ATOM   795  C  C   . THR A 1 107 ? 16.192  -33.376 -16.059 1.000 25.747 0 107 THR A C   1 ? 
ATOM   796  O  O   . THR A 1 107 ? 17.351  -33.201 -16.418 1.000 28.530 0 107 THR A O   1 ? 
ATOM   797  C  CB  . THR A 1 107 ? 16.217  -35.339 -14.449 1.000 31.721 0 107 THR A CB  1 ? 
ATOM   798  O  OG1 . THR A 1 107 ? 15.214  -36.191 -14.986 1.000 30.590 0 107 THR A OG1 1 ? 
ATOM   799  C  CG2 . THR A 1 107 ? 16.320  -35.702 -12.982 1.000 33.169 0 107 THR A CG2 1 ? 
ATOM   800  N  N   . SER A 1 108 ? 15.156  -33.154 -16.860 1.000 25.131 0 108 SER A N   1 ? 
ATOM   801  C  CA  . SER A 1 108 ? 15.382  -32.526 -18.141 1.000 25.950 0 108 SER A CA  1 ? 
ATOM   802  C  C   . SER A 1 108 ? 14.184  -31.662 -18.514 1.000 24.041 0 108 SER A C   1 ? 
ATOM   803  O  O   . SER A 1 108 ? 13.085  -31.828 -17.980 1.000 22.940 0 108 SER A O   1 ? 
ATOM   804  C  CB  . SER A 1 108 ? 15.698  -33.546 -19.192 1.000 28.474 0 108 SER A CB  1 ? 
ATOM   805  O  OG  . SER A 1 108 ? 14.532  -34.267 -19.535 1.000 31.796 0 108 SER A OG  1 ? 
ATOM   806  N  N   . CYS A 1 109 ? 14.427  -30.728 -19.438 1.000 22.556 0 109 CYS A N   1 ? 
ATOM   807  C  CA  . CYS A 1 109 ? 13.405  -29.789 -19.890 1.000 20.684 0 109 CYS A CA  1 ? 
ATOM   808  C  C   . CYS A 1 109 ? 12.411  -30.536 -20.767 1.000 20.688 0 109 CYS A C   1 ? 
ATOM   809  O  O   . CYS A 1 109 ? 12.816  -31.432 -21.489 1.000 23.224 0 109 CYS A O   1 ? 
ATOM   810  C  CB  . CYS A 1 109 ? 14.031  -28.656 -20.689 1.000 17.823 0 109 CYS A CB  1 ? 
ATOM   811  S  SG  . CYS A 1 109 ? 15.267  -27.712 -19.776 1.000 17.250 0 109 CYS A SG  1 ? 
ATOM   812  N  N   . ALA A 1 110 ? 11.132  -30.174 -20.683 1.000 18.350 0 110 ALA A N   1 ? 
ATOM   813  C  CA  . ALA A 1 110 ? 10.080  -30.681 -21.549 1.000 20.675 0 110 ALA A CA  1 ? 
ATOM   814  C  C   . ALA A 1 110 ? 10.087  -29.962 -22.892 1.000 23.926 0 110 ALA A C   1 ? 
ATOM   815  O  O   . ALA A 1 110 ? 10.473  -28.802 -22.966 1.000 26.349 0 110 ALA A O   1 ? 
ATOM   816  C  CB  . ALA A 1 110 ? 8.747   -30.486 -20.892 1.000 22.232 0 110 ALA A CB  1 ? 
ATOM   817  N  N   . SER A 1 111 ? 9.584   -30.638 -23.929 1.000 24.327 0 111 SER A N   1 ? 
ATOM   818  C  CA  . SER A 1 111 ? 9.516   -30.054 -25.260 1.000 23.553 0 111 SER A CA  1 ? 
ATOM   819  C  C   . SER A 1 111 ? 8.068   -29.736 -25.650 1.000 20.909 0 111 SER A C   1 ? 
ATOM   820  O  O   . SER A 1 111 ? 7.096   -30.239 -25.088 1.000 19.632 0 111 SER A O   1 ? 
ATOM   821  C  CB  . SER A 1 111 ? 10.218  -30.912 -26.345 1.000 24.116 0 111 SER A CB  1 ? 
ATOM   822  O  OG  . SER A 1 111 ? 10.124  -32.315 -26.109 1.000 27.912 0 111 SER A OG  1 ? 
ATOM   823  N  N   . ALA A 1 112 ? 7.964   -28.908 -26.682 1.000 21.206 0 112 ALA A N   1 ? 
ATOM   824  C  CA  . ALA A 1 112 ? 6.707   -28.582 -27.323 1.000 20.620 0 112 ALA A CA  1 ? 
ATOM   825  C  C   . ALA A 1 112 ? 5.917   -29.847 -27.665 1.000 20.536 0 112 ALA A C   1 ? 
ATOM   826  O  O   . ALA A 1 112 ? 6.462   -30.855 -28.103 1.000 21.789 0 112 ALA A O   1 ? 
ATOM   827  C  CB  . ALA A 1 112 ? 6.962   -27.785 -28.570 1.000 21.398 0 112 ALA A CB  1 ? 
ATOM   828  N  N   . GLY A 1 113 ? 4.614   -29.776 -27.438 1.000 19.214 0 113 GLY A N   1 ? 
ATOM   829  C  CA  . GLY A 1 113 ? 3.718   -30.895 -27.650 1.000 21.074 0 113 GLY A CA  1 ? 
ATOM   830  C  C   . GLY A 1 113 ? 3.408   -31.661 -26.367 1.000 20.884 0 113 GLY A C   1 ? 
ATOM   831  O  O   . GLY A 1 113 ? 2.418   -32.374 -26.335 1.000 23.491 0 113 GLY A O   1 ? 
ATOM   832  N  N   . THR A 1 114 ? 4.262   -31.580 -25.333 1.000 16.499 0 114 THR A N   1 ? 
ATOM   833  C  CA  . THR A 1 114 ? 3.961   -32.245 -24.075 1.000 18.417 0 114 THR A CA  1 ? 
ATOM   834  C  C   . THR A 1 114 ? 2.675   -31.662 -23.487 1.000 18.022 0 114 THR A C   1 ? 
ATOM   835  O  O   . THR A 1 114 ? 2.516   -30.458 -23.478 1.000 18.354 0 114 THR A O   1 ? 
ATOM   836  C  CB  . THR A 1 114 ? 5.157   -32.079 -23.137 1.000 19.476 0 114 THR A CB  1 ? 
ATOM   837  O  OG1 . THR A 1 114 ? 6.161   -32.772 -23.879 1.000 24.582 0 114 THR A OG1 1 ? 
ATOM   838  C  CG2 . THR A 1 114 ? 4.992   -32.747 -21.780 1.000 19.787 0 114 THR A CG2 1 ? 
ATOM   839  N  N   . GLN A 1 115 ? 1.804   -32.518 -22.947 1.000 18.860 0 115 GLN A N   1 ? 
ATOM   840  C  CA  . GLN A 1 115 ? 0.603   -32.088 -22.249 1.000 21.647 0 115 GLN A CA  1 ? 
ATOM   841  C  C   . GLN A 1 115 ? 0.899   -31.927 -20.758 1.000 17.189 0 115 GLN A C   1 ? 
ATOM   842  O  O   . GLN A 1 115 ? 1.685   -32.679 -20.193 1.000 15.386 0 115 GLN A O   1 ? 
ATOM   843  C  CB  . GLN A 1 115 ? -0.542  -33.084 -22.381 1.000 26.467 0 115 GLN A CB  1 ? 
ATOM   844  C  CG  . GLN A 1 115 ? -0.876  -33.454 -23.819 1.000 36.043 0 115 GLN A CG  1 ? 
ATOM   845  C  CD  . GLN A 1 115 ? -1.780  -32.456 -24.506 1.000 42.991 0 115 GLN A CD  1 ? 
ATOM   846  O  OE1 . GLN A 1 115 ? -2.241  -31.479 -23.904 1.000 49.233 0 115 GLN A OE1 1 ? 
ATOM   847  N  NE2 . GLN A 1 115 ? -2.061  -32.710 -25.777 1.000 43.899 0 115 GLN A NE2 1 ? 
ATOM   848  N  N   . CYS A 1 116 ? 0.303   -30.895 -20.144 1.000 15.133 0 116 CYS A N   1 ? 
ATOM   849  C  CA  . CYS A 1 116 ? 0.660   -30.507 -18.788 1.000 13.850 0 116 CYS A CA  1 ? 
ATOM   850  C  C   . CYS A 1 116 ? -0.626  -30.137 -18.078 1.000 13.454 0 116 CYS A C   1 ? 
ATOM   851  O  O   . CYS A 1 116 ? -1.593  -29.817 -18.740 1.000 13.844 0 116 CYS A O   1 ? 
ATOM   852  C  CB  . CYS A 1 116 ? 1.593   -29.307 -18.724 1.000 14.159 0 116 CYS A CB  1 ? 
ATOM   853  S  SG  . CYS A 1 116 ? 3.140   -29.482 -19.644 1.000 14.702 0 116 CYS A SG  1 ? 
ATOM   854  N  N   . LEU A 1 117 ? -0.593  -30.174 -16.750 1.000 12.146 0 117 LEU A N   1 ? 
ATOM   855  C  CA  . LEU A 1 117 ? -1.696  -29.761 -15.909 1.000 12.357 0 117 LEU A CA  1 ? 
ATOM   856  C  C   . LEU A 1 117 ? -1.302  -28.477 -15.182 1.000 12.130 0 117 LEU A C   1 ? 
ATOM   857  O  O   . LEU A 1 117 ? -0.262  -28.448 -14.498 1.000 12.259 0 117 LEU A O   1 ? 
ATOM   858  C  CB  . LEU A 1 117 ? -1.994  -30.895 -14.935 1.000 12.516 0 117 LEU A CB  1 ? 
ATOM   859  C  CG  . LEU A 1 117 ? -3.074  -30.604 -13.884 1.000 13.846 0 117 LEU A CG  1 ? 
ATOM   860  C  CD1 . LEU A 1 117 ? -4.440  -30.665 -14.522 1.000 15.519 0 117 LEU A CD1 1 ? 
ATOM   861  C  CD2 . LEU A 1 117 ? -2.983  -31.496 -12.692 1.000 16.362 0 117 LEU A CD2 1 ? 
ATOM   862  N  N   . ILE A 1 118 ? -2.180  -27.476 -15.268 1.000 11.788 0 118 ILE A N   1 ? 
ATOM   863  C  CA  . ILE A 1 118 ? -2.011  -26.141 -14.694 1.000 12.244 0 118 ILE A CA  1 ? 
ATOM   864  C  C   . ILE A 1 118 ? -3.182  -25.990 -13.731 1.000 12.031 0 118 ILE A C   1 ? 
ATOM   865  O  O   . ILE A 1 118 ? -4.275  -26.417 -14.038 1.000 11.965 0 118 ILE A O   1 ? 
ATOM   866  C  CB  . ILE A 1 118 ? -2.061  -25.065 -15.796 1.000 14.041 0 118 ILE A CB  1 ? 
ATOM   867  C  CG1 . ILE A 1 118 ? -1.096  -25.368 -16.954 1.000 15.903 0 118 ILE A CG1 1 ? 
ATOM   868  C  CG2 . ILE A 1 118 ? -1.845  -23.666 -15.234 1.000 14.785 0 118 ILE A CG2 1 ? 
ATOM   869  C  CD1 . ILE A 1 118 ? -1.235  -24.433 -18.141 1.000 17.154 0 118 ILE A CD1 1 ? 
ATOM   870  N  N   . SER A 1 119 ? -2.961  -25.448 -12.546 1.000 10.485 0 119 SER A N   1 ? 
ATOM   871  C  CA  . SER A 1 119 ? -4.021  -25.457 -11.542 1.000 10.850 0 119 SER A CA  1 ? 
ATOM   872  C  C   . SER A 1 119 ? -3.951  -24.171 -10.725 1.000 11.740 0 119 SER A C   1 ? 
ATOM   873  O  O   . SER A 1 119 ? -2.887  -23.568 -10.652 1.000 12.105 0 119 SER A O   1 ? 
ATOM   874  C  CB  . SER A 1 119 ? -3.934  -26.737 -10.753 1.000 11.331 0 119 SER A CB  1 ? 
ATOM   875  O  OG  . SER A 1 119 ? -2.671  -26.894 -10.099 1.000 11.341 0 119 SER A OG  1 ? 
ATOM   876  N  N   . GLY A 1 120 ? -5.069  -23.735 -10.129 1.000 10.535 0 120 GLY A N   1 ? 
ATOM   877  C  CA  . GLY A 1 120 ? -5.086  -22.528 -9.314  1.000 11.243 0 120 GLY A CA  1 ? 
ATOM   878  C  C   . GLY A 1 120 ? -6.493  -22.023 -8.969  1.000 11.593 0 120 GLY A C   1 ? 
ATOM   879  O  O   . GLY A 1 120 ? -7.493  -22.505 -9.512  1.000 12.543 0 120 GLY A O   1 ? 
ATOM   880  N  N   . TRP A 1 121 ? -6.517  -20.924 -8.188  1.000 10.909 0 121 TRP A N   1 ? 
ATOM   881  C  CA  . TRP A 1 121 ? -7.720  -20.288 -7.705  1.000 10.827 0 121 TRP A CA  1 ? 
ATOM   882  C  C   . TRP A 1 121 ? -7.925  -18.937 -8.377  1.000 10.983 0 121 TRP A C   1 ? 
ATOM   883  O  O   . TRP A 1 121 ? -8.599  -18.073 -7.838  1.000 13.183 0 121 TRP A O   1 ? 
ATOM   884  C  CB  . TRP A 1 121 ? -7.635  -20.154 -6.168  1.000 12.181 0 121 TRP A CB  1 ? 
ATOM   885  C  CG  . TRP A 1 121 ? -7.809  -21.438 -5.404  1.000 11.813 0 121 TRP A CG  1 ? 
ATOM   886  C  CD1 . TRP A 1 121 ? -8.983  -22.027 -5.040  1.000 13.250 0 121 TRP A CD1 1 ? 
ATOM   887  C  CD2 . TRP A 1 121 ? -6.777  -22.240 -4.802  1.000 12.639 0 121 TRP A CD2 1 ? 
ATOM   888  N  NE1 . TRP A 1 121 ? -8.747  -23.157 -4.304  1.000 13.805 0 121 TRP A NE1 1 ? 
ATOM   889  C  CE2 . TRP A 1 121 ? -7.414  -23.310 -4.127  1.000 12.862 0 121 TRP A CE2 1 ? 
ATOM   890  C  CE3 . TRP A 1 121 ? -5.390  -22.160 -4.772  1.000 13.148 0 121 TRP A CE3 1 ? 
ATOM   891  C  CZ2 . TRP A 1 121 ? -6.711  -24.284 -3.434  1.000 13.633 0 121 TRP A CZ2 1 ? 
ATOM   892  C  CZ3 . TRP A 1 121 ? -4.695  -23.106 -4.060  1.000 12.567 0 121 TRP A CZ3 1 ? 
ATOM   893  C  CH2 . TRP A 1 121 ? -5.357  -24.127 -3.361  1.000 14.058 0 121 TRP A CH2 1 ? 
ATOM   894  N  N   . GLY A 1 122 ? -7.274  -18.708 -9.514  1.000 10.198 0 122 GLY A N   1 ? 
ATOM   895  C  CA  . GLY A 1 122 ? -7.391  -17.430 -10.185 1.000 11.135 0 122 GLY A CA  1 ? 
ATOM   896  C  C   . GLY A 1 122 ? -8.710  -17.291 -10.920 1.000 11.110 0 122 GLY A C   1 ? 
ATOM   897  O  O   . GLY A 1 122 ? -9.555  -18.211 -10.916 1.000 12.309 0 122 GLY A O   1 ? 
ATOM   898  N  N   . ASN A 1 123 ? -8.876  -16.070 -11.451 1.000 12.665 0 123 ASN A N   1 ? 
ATOM   899  C  CA  . ASN A 1 123 ? -10.051 -15.652 -12.213 1.000 14.507 0 123 ASN A CA  1 ? 
ATOM   900  C  C   . ASN A 1 123 ? -10.437 -16.703 -13.254 1.000 15.674 0 123 ASN A C   1 ? 
ATOM   901  O  O   . ASN A 1 123 ? -9.563  -17.221 -13.971 1.000 13.303 0 123 ASN A O   1 ? 
ATOM   902  C  CB  . ASN A 1 123 ? -9.745  -14.333 -12.901 1.000 15.222 0 123 ASN A CB  1 ? 
ATOM   903  C  CG  . ASN A 1 123 ? -10.937 -13.512 -13.343 1.000 19.177 0 123 ASN A CG  1 ? 
ATOM   904  O  OD1 . ASN A 1 123 ? -12.104 -13.934 -13.309 1.000 23.564 0 123 ASN A OD1 1 ? 
ATOM   905  N  ND2 . ASN A 1 123 ? -10.638 -12.290 -13.772 1.000 20.261 0 123 ASN A ND2 1 ? 
ATOM   906  N  N   . THR A 1 124 ? -11.762 -16.888 -13.422 1.000 15.343 0 124 THR A N   1 ? 
ATOM   907  C  CA  . THR A 1 124 ? -12.294 -17.856 -14.372 1.000 16.651 0 124 THR A CA  1 ? 
ATOM   908  C  C   . THR A 1 124 ? -12.899 -17.167 -15.597 1.000 18.309 0 124 THR A C   1 ? 
ATOM   909  O  O   . THR A 1 124 ? -13.297 -17.881 -16.507 1.000 15.583 0 124 THR A O   1 ? 
ATOM   910  C  CB  . THR A 1 124 ? -13.322 -18.801 -13.735 1.000 17.386 0 124 THR A CB  1 ? 
ATOM   911  O  OG1 . THR A 1 124 ? -14.382 -17.943 -13.320 1.000 17.619 0 124 THR A OG1 1 ? 
ATOM   912  C  CG2 . THR A 1 124 ? -12.746 -19.591 -12.572 1.000 17.694 0 124 THR A CG2 1 ? 
ATOM   913  N  N   . LYS A 1 125 ? -12.883 -15.825 -15.706 1.000 23.389 0 125 LYS A N   1 ? 
ATOM   914  C  CA  . LYS A 1 125 ? -13.413 -15.182 -16.913 1.000 29.636 0 125 LYS A CA  1 ? 
ATOM   915  C  C   . LYS A 1 125 ? -12.344 -14.396 -17.685 1.000 33.179 0 125 LYS A C   1 ? 
ATOM   916  O  O   . LYS A 1 125 ? -11.415 -13.850 -17.103 1.000 33.886 0 125 LYS A O   1 ? 
ATOM   917  C  CB  . LYS A 1 125 ? -14.613 -14.316 -16.527 1.000 36.698 0 125 LYS A CB  1 ? 
ATOM   918  C  CG  . LYS A 1 125 ? -15.541 -14.962 -15.497 1.000 42.642 0 125 LYS A CG  1 ? 
ATOM   919  C  CD  . LYS A 1 125 ? -16.205 -16.276 -15.883 1.000 43.895 0 125 LYS A CD  1 ? 
ATOM   920  C  CE  . LYS A 1 125 ? -17.463 -16.090 -16.680 1.000 50.204 0 125 LYS A CE  1 ? 
ATOM   921  N  NZ  . LYS A 1 125 ? -18.459 -15.219 -16.039 1.000 50.776 0 125 LYS A NZ  1 ? 
ATOM   922  N  N   . SER A 1 126 ? -12.502 -14.312 -19.018 1.000 39.979 0 126 SER A N   1 ? 
ATOM   923  C  CA  . SER A 1 126 ? -11.587 -13.588 -19.903 1.000 44.535 0 126 SER A CA  1 ? 
ATOM   924  C  C   . SER A 1 126 ? -11.965 -12.116 -20.045 1.000 49.706 0 126 SER A C   1 ? 
ATOM   925  O  O   . SER A 1 126 ? -11.124 -11.295 -20.424 1.000 49.347 0 126 SER A O   1 ? 
ATOM   926  C  CB  . SER A 1 126 ? -11.557 -14.207 -21.282 1.000 45.096 0 126 SER A CB  1 ? 
ATOM   927  O  OG  . SER A 1 126 ? -12.869 -14.295 -21.825 1.000 44.318 0 126 SER A OG  1 ? 
ATOM   928  N  N   . SER A 1 127 ? -13.258 -11.833 -19.819 1.000 49.316 0 127 SER A N   1 ? 
ATOM   929  C  CA  . SER A 1 127 ? -13.833 -10.502 -19.908 1.000 51.627 0 127 SER A CA  1 ? 
ATOM   930  C  C   . SER A 1 127 ? -14.794 -10.309 -18.731 1.000 54.391 0 127 SER A C   1 ? 
ATOM   931  O  O   . SER A 1 127 ? -15.918 -10.804 -18.760 1.000 61.212 0 127 SER A O   1 ? 
ATOM   932  C  CB  . SER A 1 127 ? -14.512 -10.345 -21.250 1.000 50.024 0 127 SER A CB  1 ? 
ATOM   933  O  OG  . SER A 1 127 ? -15.138 -9.081  -21.376 1.000 57.420 0 127 SER A OG  1 ? 
ATOM   934  N  N   . GLY A 1 128 ? -14.341 -9.625  -17.676 1.000 50.395 0 128 GLY A N   1 ? 
ATOM   935  C  CA  . GLY A 1 128 ? -15.048 -9.647  -16.402 1.000 52.037 0 128 GLY A CA  1 ? 
ATOM   936  C  C   . GLY A 1 128 ? -14.265 -10.429 -15.344 1.000 48.013 0 128 GLY A C   1 ? 
ATOM   937  O  O   . GLY A 1 128 ? -13.116 -10.810 -15.593 1.000 48.028 0 128 GLY A O   1 ? 
ATOM   938  N  N   . THR A 1 129 ? -14.906 -10.685 -14.187 1.000 37.342 0 129 THR A N   1 ? 
ATOM   939  C  CA  . THR A 1 129 ? -14.216 -11.110 -12.974 1.000 34.709 0 129 THR A CA  1 ? 
ATOM   940  C  C   . THR A 1 129 ? -15.075 -12.070 -12.146 1.000 30.629 0 129 THR A C   1 ? 
ATOM   941  O  O   . THR A 1 129 ? -16.148 -11.688 -11.698 1.000 32.206 0 129 THR A O   1 ? 
ATOM   942  C  CB  . THR A 1 129 ? -13.892 -9.836  -12.192 1.000 37.439 0 129 THR A CB  1 ? 
ATOM   943  O  OG1 . THR A 1 129 ? -12.600 -9.447  -12.638 1.000 42.163 0 129 THR A OG1 1 ? 
ATOM   944  C  CG2 . THR A 1 129 ? -13.825 -10.024 -10.693 1.000 40.344 0 129 THR A CG2 1 ? 
ATOM   945  N  N   . SER A 1 130 ? -14.568 -13.288 -11.899 1.000 27.296 0 130 SER A N   1 ? 
ATOM   946  C  CA  . SER A 1 130 ? -15.209 -14.273 -11.034 1.000 25.170 0 130 SER A CA  1 ? 
ATOM   947  C  C   . SER A 1 130 ? -14.163 -15.226 -10.445 1.000 23.678 0 130 SER A C   1 ? 
ATOM   948  O  O   . SER A 1 130 ? -13.562 -16.039 -11.153 1.000 22.379 0 130 SER A O   1 ? 
ATOM   949  C  CB  . SER A 1 130 ? -16.263 -15.061 -11.746 1.000 25.946 0 130 SER A CB  1 ? 
ATOM   950  O  OG  . SER A 1 130 ? -16.936 -15.900 -10.817 1.000 25.928 0 130 SER A OG  1 ? 
ATOM   951  N  N   . TYR A 1 131 ? -13.948 -15.094 -9.134  1.000 19.683 0 131 TYR A N   1 ? 
ATOM   952  C  CA  . TYR A 1 131 ? -12.942 -15.881 -8.434  1.000 18.088 0 131 TYR A CA  1 ? 
ATOM   953  C  C   . TYR A 1 131 ? -13.618 -17.103 -7.802  1.000 17.983 0 131 TYR A C   1 ? 
ATOM   954  O  O   . TYR A 1 131 ? -14.555 -16.973 -7.009  1.000 18.071 0 131 TYR A O   1 ? 
ATOM   955  C  CB  . TYR A 1 131 ? -12.170 -14.991 -7.459  1.000 18.602 0 131 TYR A CB  1 ? 
ATOM   956  C  CG  . TYR A 1 131 ? -11.274 -13.987 -8.172  1.000 23.029 0 131 TYR A CG  1 ? 
ATOM   957  C  CD1 . TYR A 1 131 ? -11.767 -12.772 -8.641  1.000 21.476 0 131 TYR A CD1 1 ? 
ATOM   958  C  CD2 . TYR A 1 131 ? -9.936  -14.274 -8.402  1.000 23.258 0 131 TYR A CD2 1 ? 
ATOM   959  C  CE1 . TYR A 1 131 ? -10.953 -11.867 -9.303  1.000 24.536 0 131 TYR A CE1 1 ? 
ATOM   960  C  CE2 . TYR A 1 131 ? -9.124  -13.386 -9.077  1.000 23.708 0 131 TYR A CE2 1 ? 
ATOM   961  C  CZ  . TYR A 1 131 ? -9.627  -12.176 -9.521  1.000 25.196 0 131 TYR A CZ  1 ? 
ATOM   962  O  OH  . TYR A 1 131 ? -8.817  -11.315 -10.214 1.000 27.948 0 131 TYR A OH  1 ? 
ATOM   963  N  N   . PRO A 1 132 ? -13.123 -18.325 -8.098  1.000 16.175 0 132 PRO A N   1 ? 
ATOM   964  C  CA  . PRO A 1 132 ? -13.648 -19.552 -7.513  1.000 15.092 0 132 PRO A CA  1 ? 
ATOM   965  C  C   . PRO A 1 132 ? -13.140 -19.736 -6.088  1.000 14.994 0 132 PRO A C   1 ? 
ATOM   966  O  O   . PRO A 1 132 ? -12.098 -19.205 -5.703  1.000 17.464 0 132 PRO A O   1 ? 
ATOM   967  C  CB  . PRO A 1 132 ? -13.104 -20.625 -8.469  1.000 16.012 0 132 PRO A CB  1 ? 
ATOM   968  C  CG  . PRO A 1 132 ? -11.734 -20.068 -8.846  1.000 16.175 0 132 PRO A CG  1 ? 
ATOM   969  C  CD  . PRO A 1 132 ? -11.939 -18.570 -8.946  1.000 15.805 0 132 PRO A CD  1 ? 
ATOM   970  N  N   . ASP A 1 133 ? -13.922 -20.465 -5.313  1.000 14.709 0 133 ASP A N   1 ? 
ATOM   971  C  CA  . ASP A 1 133 ? -13.506 -20.891 -3.994  1.000 14.506 0 133 ASP A CA  1 ? 
ATOM   972  C  C   . ASP A 1 133 ? -12.748 -22.218 -4.049  1.000 12.894 0 133 ASP A C   1 ? 
ATOM   973  O  O   . ASP A 1 133 ? -11.917 -22.453 -3.187  1.000 11.829 0 133 ASP A O   1 ? 
ATOM   974  C  CB  . ASP A 1 133 ? -14.704 -20.922 -3.057  1.000 17.052 0 133 ASP A CB  1 ? 
ATOM   975  C  CG  . ASP A 1 133 ? -15.474 -19.616 -2.922  1.000 20.564 0 133 ASP A CG  1 ? 
ATOM   976  O  OD1 . ASP A 1 133 ? -14.822 -18.588 -2.769  1.000 24.464 0 133 ASP A OD1 1 ? 
ATOM   977  O  OD2 . ASP A 1 133 ? -16.729 -19.638 -2.951  1.000 26.421 0 133 ASP A OD2 1 ? 
ATOM   978  N  N   . VAL A 1 134 ? -13.057 -23.103 -5.010  1.000 12.336 0 134 VAL A N   1 ? 
ATOM   979  C  CA  . VAL A 1 134 ? -12.405 -24.400 -5.116  1.000 11.327 0 134 VAL A CA  1 ? 
ATOM   980  C  C   . VAL A 1 134 ? -11.369 -24.401 -6.250  1.000 10.918 0 134 VAL A C   1 ? 
ATOM   981  O  O   . VAL A 1 134 ? -11.464 -23.629 -7.204  1.000 13.322 0 134 VAL A O   1 ? 
ATOM   982  C  CB  . VAL A 1 134 ? -13.358 -25.578 -5.315  1.000 12.366 0 134 VAL A CB  1 ? 
ATOM   983  C  CG1 . VAL A 1 134 ? -14.265 -25.807 -4.099  1.000 14.286 0 134 VAL A CG1 1 ? 
ATOM   984  C  CG2 . VAL A 1 134 ? -14.156 -25.429 -6.606  1.000 12.296 0 134 VAL A CG2 1 ? 
ATOM   985  N  N   . LEU A 1 135 ? -10.416 -25.351 -6.168  1.000 9.949  0 135 LEU A N   1 ? 
ATOM   986  C  CA  . LEU A 1 135 ? -9.281  -25.394 -7.090  1.000 9.959  0 135 LEU A CA  1 ? 
ATOM   987  C  C   . LEU A 1 135 ? -9.772  -25.755 -8.496  1.000 10.986 0 135 LEU A C   1 ? 
ATOM   988  O  O   . LEU A 1 135 ? -10.556 -26.710 -8.661  1.000 11.533 0 135 LEU A O   1 ? 
ATOM   989  C  CB  . LEU A 1 135 ? -8.234  -26.375 -6.549  1.000 11.100 0 135 LEU A CB  1 ? 
ATOM   990  C  CG  . LEU A 1 135 ? -6.914  -26.455 -7.309  1.000 11.320 0 135 LEU A CG  1 ? 
ATOM   991  C  CD1 . LEU A 1 135 ? -6.150  -25.162 -7.241  1.000 13.504 0 135 LEU A CD1 1 ? 
ATOM   992  C  CD2 . LEU A 1 135 ? -6.074  -27.602 -6.737  1.000 12.919 0 135 LEU A CD2 1 ? 
ATOM   993  N  N   . LYS A 1 136 ? -9.212  -25.091 -9.518  1.000 10.622 0 136 LYS A N   1 ? 
ATOM   994  C  CA  . LYS A 1 136 ? -9.564  -25.371 -10.900 1.000 12.026 0 136 LYS A CA  1 ? 
ATOM   995  C  C   . LYS A 1 136 ? -8.304  -25.902 -11.592 1.000 11.524 0 136 LYS A C   1 ? 
ATOM   996  O  O   . LYS A 1 136 ? -7.181  -25.614 -11.154 1.000 10.991 0 136 LYS A O   1 ? 
ATOM   997  C  CB  . LYS A 1 136 ? -10.101 -24.115 -11.607 1.000 12.796 0 136 LYS A CB  1 ? 
ATOM   998  C  CG  . LYS A 1 136 ? -11.375 -23.485 -11.056 1.000 14.913 0 136 LYS A CG  1 ? 
ATOM   999  C  CD  . LYS A 1 136 ? -12.614 -24.353 -11.257 1.000 18.065 0 136 LYS A CD  1 ? 
ATOM   1000 C  CE  . LYS A 1 136 ? -13.851 -23.820 -10.570 1.000 22.275 0 136 LYS A CE  1 ? 
ATOM   1001 N  NZ  . LYS A 1 136 ? -15.039 -24.419 -11.208 1.000 24.998 0 136 LYS A NZ  1 ? 
ATOM   1002 N  N   . CYS A 1 137 ? -8.550  -26.696 -12.628 1.000 10.881 0 137 CYS A N   1 ? 
ATOM   1003 C  CA  . CYS A 1 137 ? -7.550  -27.466 -13.356 1.000 10.617 0 137 CYS A CA  1 ? 
ATOM   1004 C  C   . CYS A 1 137 ? -7.707  -27.223 -14.856 1.000 12.521 0 137 CYS A C   1 ? 
ATOM   1005 O  O   . CYS A 1 137 ? -8.838  -27.100 -15.341 1.000 12.787 0 137 CYS A O   1 ? 
ATOM   1006 C  CB  . CYS A 1 137 ? -7.761  -28.937 -13.033 1.000 11.768 0 137 CYS A CB  1 ? 
ATOM   1007 S  SG  . CYS A 1 137 ? -6.850  -29.479 -11.558 1.000 10.981 0 137 CYS A SG  1 ? 
ATOM   1008 N  N   . LEU A 1 138 ? -6.579  -27.280 -15.596 1.000 12.725 0 138 LEU A N   1 ? 
ATOM   1009 C  CA  . LEU A 1 138 ? -6.526  -27.099 -17.043 1.000 14.096 0 138 LEU A CA  1 ? 
ATOM   1010 C  C   . LEU A 1 138 ? -5.433  -27.998 -17.619 1.000 13.740 0 138 LEU A C   1 ? 
ATOM   1011 O  O   . LEU A 1 138 ? -4.285  -27.967 -17.156 1.000 14.909 0 138 LEU A O   1 ? 
ATOM   1012 C  CB  . LEU A 1 138 ? -6.273  -25.635 -17.431 1.000 13.699 0 138 LEU A CB  1 ? 
ATOM   1013 C  CG  . LEU A 1 138 ? -6.260  -25.311 -18.929 1.000 15.226 0 138 LEU A CG  1 ? 
ATOM   1014 C  CD1 . LEU A 1 138 ? -7.594  -25.702 -19.539 1.000 15.714 0 138 LEU A CD1 1 ? 
ATOM   1015 C  CD2 . LEU A 1 138 ? -5.995  -23.862 -19.270 1.000 15.453 0 138 LEU A CD2 1 ? 
ATOM   1016 N  N   . LYS A 1 139 ? -5.816  -28.835 -18.602 1.000 12.991 0 139 LYS A N   1 ? 
ATOM   1017 C  CA  . LYS A 1 139 ? -4.840  -29.550 -19.410 1.000 15.828 0 139 LYS A CA  1 ? 
ATOM   1018 C  C   . LYS A 1 139 ? -4.465  -28.696 -20.621 1.000 15.446 0 139 LYS A C   1 ? 
ATOM   1019 O  O   . LYS A 1 139 ? -5.338  -28.335 -21.402 1.000 17.894 0 139 LYS A O   1 ? 
ATOM   1020 C  CB  . LYS A 1 139 ? -5.348  -30.936 -19.810 1.000 17.058 0 139 LYS A CB  1 ? 
ATOM   1021 C  CG  . LYS A 1 139 ? -5.646  -31.835 -18.608 1.000 22.481 0 139 LYS A CG  1 ? 
ATOM   1022 C  CD  . LYS A 1 139 ? -5.700  -33.339 -18.913 1.000 23.698 0 139 LYS A CD  1 ? 
ATOM   1023 C  CE  . LYS A 1 139 ? -6.021  -34.169 -17.698 1.000 27.189 0 139 LYS A CE  1 ? 
ATOM   1024 N  NZ  . LYS A 1 139 ? -6.269  -35.556 -18.134 1.000 26.595 0 139 LYS A NZ  1 ? 
ATOM   1025 N  N   . ALA A 1 140 ? -3.162  -28.421 -20.793 1.000 16.332 0 140 ALA A N   1 ? 
ATOM   1026 C  CA  . ALA A 1 140 ? -2.660  -27.618 -21.895 1.000 15.468 0 140 ALA A CA  1 ? 
ATOM   1027 C  C   . ALA A 1 140 ? -1.322  -28.159 -22.398 1.000 14.302 0 140 ALA A C   1 ? 
ATOM   1028 O  O   . ALA A 1 140 ? -0.478  -28.643 -21.629 1.000 14.123 0 140 ALA A O   1 ? 
ATOM   1029 C  CB  . ALA A 1 140 ? -2.538  -26.189 -21.484 1.000 15.337 0 140 ALA A CB  1 ? 
ATOM   1030 N  N   . PRO A 1 141 ? -1.084  -28.058 -23.719 1.000 13.843 0 141 PRO A N   1 ? 
ATOM   1031 C  CA  . PRO A 1 141 ? 0.217   -28.377 -24.312 1.000 14.162 0 141 PRO A CA  1 ? 
ATOM   1032 C  C   . PRO A 1 141 ? 1.223   -27.227 -24.195 1.000 14.553 0 141 PRO A C   1 ? 
ATOM   1033 O  O   . PRO A 1 141 ? 0.866   -26.048 -24.282 1.000 15.585 0 141 PRO A O   1 ? 
ATOM   1034 C  CB  . PRO A 1 141 ? -0.125  -28.613 -25.780 1.000 14.705 0 141 PRO A CB  1 ? 
ATOM   1035 C  CG  . PRO A 1 141 ? -1.224  -27.629 -26.026 1.000 15.093 0 141 PRO A CG  1 ? 
ATOM   1036 C  CD  . PRO A 1 141 ? -2.068  -27.648 -24.738 1.000 13.878 0 141 PRO A CD  1 ? 
ATOM   1037 N  N   . ILE A 1 142 ? 2.496   -27.589 -24.101 1.000 16.028 0 142 ILE A N   1 ? 
ATOM   1038 C  CA  . ILE A 1 142 ? 3.595   -26.672 -24.344 1.000 16.143 0 142 ILE A CA  1 ? 
ATOM   1039 C  C   . ILE A 1 142 ? 3.632   -26.336 -25.839 1.000 16.912 0 142 ILE A C   1 ? 
ATOM   1040 O  O   . ILE A 1 142 ? 3.522   -27.227 -26.674 1.000 15.168 0 142 ILE A O   1 ? 
ATOM   1041 C  CB  . ILE A 1 142 ? 4.912   -27.274 -23.830 1.000 17.664 0 142 ILE A CB  1 ? 
ATOM   1042 C  CG1 . ILE A 1 142 ? 4.820   -27.544 -22.324 1.000 17.958 0 142 ILE A CG1 1 ? 
ATOM   1043 C  CG2 . ILE A 1 142 ? 6.087   -26.354 -24.163 1.000 17.032 0 142 ILE A CG2 1 ? 
ATOM   1044 C  CD1 . ILE A 1 142 ? 6.026   -28.270 -21.756 1.000 18.422 0 142 ILE A CD1 1 ? 
ATOM   1045 N  N   . LEU A 1 143 ? 3.755   -25.039 -26.145 1.000 18.006 0 143 LEU A N   1 ? 
ATOM   1046 C  CA  . LEU A 1 143 ? 3.855   -24.548 -27.513 1.000 19.757 0 143 LEU A CA  1 ? 
ATOM   1047 C  C   . LEU A 1 143 ? 5.311   -24.396 -27.929 1.000 18.723 0 143 LEU A C   1 ? 
ATOM   1048 O  O   . LEU A 1 143 ? 6.222   -24.295 -27.086 1.000 18.036 0 143 LEU A O   1 ? 
ATOM   1049 C  CB  . LEU A 1 143 ? 3.098   -23.220 -27.583 1.000 21.254 0 143 LEU A CB  1 ? 
ATOM   1050 C  CG  . LEU A 1 143 ? 1.587   -23.297 -27.306 1.000 22.575 0 143 LEU A CG  1 ? 
ATOM   1051 C  CD1 . LEU A 1 143 ? 0.978   -21.926 -27.260 1.000 24.649 0 143 LEU A CD1 1 ? 
ATOM   1052 C  CD2 . LEU A 1 143 ? 0.858   -24.100 -28.345 1.000 24.298 0 143 LEU A CD2 1 ? 
ATOM   1053 N  N   . SER A 1 144 ? 5.534   -24.389 -29.255 1.000 18.702 0 144 SER A N   1 ? 
ATOM   1054 C  CA  . SER A 1 144 ? 6.872   -24.212 -29.780 1.000 20.044 0 144 SER A CA  1 ? 
ATOM   1055 C  C   . SER A 1 144 ? 7.406   -22.857 -29.344 1.000 19.384 0 144 SER A C   1 ? 
ATOM   1056 O  O   . SER A 1 144 ? 6.644   -21.902 -29.241 1.000 20.904 0 144 SER A O   1 ? 
ATOM   1057 C  CB  . SER A 1 144 ? 6.932   -24.352 -31.280 1.000 19.618 0 144 SER A CB  1 ? 
ATOM   1058 O  OG  . SER A 1 144 ? 5.937   -23.581 -31.949 1.000 19.422 0 144 SER A OG  1 ? 
ATOM   1059 N  N   . ASP A 1 145 ? 8.721   -22.776 -29.179 1.000 22.439 0 145 ASP A N   1 ? 
ATOM   1060 C  CA  . ASP A 1 145 ? 9.410   -21.508 -29.001 1.000 25.754 0 145 ASP A CA  1 ? 
ATOM   1061 C  C   . ASP A 1 145 ? 9.087   -20.565 -30.165 1.000 23.989 0 145 ASP A C   1 ? 
ATOM   1062 O  O   . ASP A 1 145 ? 8.933   -19.370 -29.966 1.000 19.937 0 145 ASP A O   1 ? 
ATOM   1063 C  CB  . ASP A 1 145 ? 10.900  -21.742 -28.845 1.000 30.459 0 145 ASP A CB  1 ? 
ATOM   1064 C  CG  . ASP A 1 145 ? 11.702  -20.493 -28.535 1.000 39.874 0 145 ASP A CG  1 ? 
ATOM   1065 O  OD1 . ASP A 1 145 ? 11.284  -19.747 -27.612 1.000 41.578 0 145 ASP A OD1 1 ? 
ATOM   1066 O  OD2 . ASP A 1 145 ? 12.739  -20.282 -29.207 1.000 45.762 0 145 ASP A OD2 1 ? 
ATOM   1067 N  N   . SER A 1 146 ? 8.931   -21.093 -31.378 1.000 24.091 0 146 SER A N   1 ? 
ATOM   1068 C  CA  . SER A 1 146 ? 8.683   -20.224 -32.516 1.000 27.568 0 146 SER A CA  1 ? 
ATOM   1069 C  C   . SER A 1 146 ? 7.289   -19.598 -32.440 1.000 23.401 0 146 SER A C   1 ? 
ATOM   1070 O  O   . SER A 1 146 ? 7.149   -18.413 -32.746 1.000 21.670 0 146 SER A O   1 ? 
ATOM   1071 C  CB  . SER A 1 146 ? 8.946   -20.910 -33.844 1.000 32.136 0 146 SER A CB  1 ? 
ATOM   1072 O  OG  . SER A 1 146 ? 7.967   -21.907 -34.095 1.000 40.823 0 146 SER A OG  1 ? 
ATOM   1073 N  N   . SER A 1 147 ? 6.260   -20.347 -32.021 1.000 20.323 0 147 SER A N   1 ? 
ATOM   1074 C  CA  . SER A 1 147 ? 4.930   -19.768 -31.902 1.000 22.359 0 147 SER A CA  1 ? 
ATOM   1075 C  C   . SER A 1 147 ? 4.874   -18.842 -30.686 1.000 21.615 0 147 SER A C   1 ? 
ATOM   1076 O  O   . SER A 1 147 ? 4.257   -17.780 -30.758 1.000 19.882 0 147 SER A O   1 ? 
ATOM   1077 C  CB  . SER A 1 147 ? 3.825   -20.796 -31.896 1.000 26.384 0 147 SER A CB  1 ? 
ATOM   1078 O  OG  . SER A 1 147 ? 3.780   -21.559 -30.701 1.000 33.773 0 147 SER A OG  1 ? 
ATOM   1079 N  N   . CYS A 1 148 ? 5.613   -19.187 -29.617 1.000 18.512 0 148 CYS A N   1 ? 
ATOM   1080 C  CA  . CYS A 1 148 ? 5.669   -18.355 -28.419 1.000 17.582 0 148 CYS A CA  1 ? 
ATOM   1081 C  C   . CYS A 1 148 ? 6.229   -16.972 -28.778 1.000 18.258 0 148 CYS A C   1 ? 
ATOM   1082 O  O   . CYS A 1 148 ? 5.671   -15.942 -28.398 1.000 19.716 0 148 CYS A O   1 ? 
ATOM   1083 C  CB  . CYS A 1 148 ? 6.444   -19.086 -27.320 1.000 18.045 0 148 CYS A CB  1 ? 
ATOM   1084 S  SG  . CYS A 1 148 ? 6.267   -18.303 -25.693 1.000 17.275 0 148 CYS A SG  1 ? 
ATOM   1085 N  N   . LYS A 1 149 ? 7.366   -16.935 -29.490 1.000 19.959 0 149 LYS A N   1 ? 
ATOM   1086 C  CA  . LYS A 1 149 ? 8.037   -15.686 -29.838 1.000 21.146 0 149 LYS A CA  1 ? 
ATOM   1087 C  C   . LYS A 1 149 ? 7.244   -14.874 -30.864 1.000 19.534 0 149 LYS A C   1 ? 
ATOM   1088 O  O   . LYS A 1 149 ? 7.313   -13.633 -30.878 1.000 18.517 0 149 LYS A O   1 ? 
ATOM   1089 C  CB  . LYS A 1 149 ? 9.453   -15.976 -30.359 1.000 22.752 0 149 LYS A CB  1 ? 
ATOM   1090 C  CG  . LYS A 1 149 ? 10.419  -16.291 -29.247 1.000 25.369 0 149 LYS A CG  1 ? 
ATOM   1091 C  CD  . LYS A 1 149 ? 11.783  -16.768 -29.699 1.000 29.901 0 149 LYS A CD  1 ? 
ATOM   1092 C  CE  . LYS A 1 149 ? 12.632  -16.820 -28.464 1.000 34.678 0 149 LYS A CE  1 ? 
ATOM   1093 N  NZ  . LYS A 1 149 ? 13.707  -17.796 -28.628 1.000 38.436 0 149 LYS A NZ  1 ? 
ATOM   1094 N  N   . SER A 1 150 ? 6.496   -15.563 -31.723 1.000 19.189 0 150 SER A N   1 ? 
ATOM   1095 C  CA  . SER A 1 150 ? 5.649   -14.899 -32.697 1.000 20.114 0 150 SER A CA  1 ? 
ATOM   1096 C  C   . SER A 1 150 ? 4.458   -14.200 -32.046 1.000 19.870 0 150 SER A C   1 ? 
ATOM   1097 O  O   . SER A 1 150 ? 3.978   -13.179 -32.541 1.000 18.552 0 150 SER A O   1 ? 
ATOM   1098 C  CB  . SER A 1 150 ? 5.217   -15.879 -33.745 1.000 22.135 0 150 SER A CB  1 ? 
ATOM   1099 O  OG  . SER A 1 150 ? 6.364   -16.249 -34.502 1.000 26.181 0 150 SER A OG  1 ? 
ATOM   1100 N  N   . ALA A 1 151 ? 3.963   -14.776 -30.945 1.000 20.075 0 151 ALA A N   1 ? 
ATOM   1101 C  CA  . ALA A 1 151 ? 2.840   -14.228 -30.210 1.000 18.856 0 151 ALA A CA  1 ? 
ATOM   1102 C  C   . ALA A 1 151 ? 3.269   -12.980 -29.434 1.000 18.128 0 151 ALA A C   1 ? 
ATOM   1103 O  O   . ALA A 1 151 ? 2.487   -12.036 -29.297 1.000 19.325 0 151 ALA A O   1 ? 
ATOM   1104 C  CB  . ALA A 1 151 ? 2.271   -15.291 -29.301 1.000 21.689 0 151 ALA A CB  1 ? 
ATOM   1105 N  N   . TYR A 1 152 ? 4.496   -13.002 -28.893 1.000 17.011 0 152 TYR A N   1 ? 
ATOM   1106 C  CA  . TYR A 1 152 ? 5.024   -11.969 -28.032 1.000 16.761 0 152 TYR A CA  1 ? 
ATOM   1107 C  C   . TYR A 1 152 ? 6.412   -11.562 -28.519 1.000 17.505 0 152 TYR A C   1 ? 
ATOM   1108 O  O   . TYR A 1 152 ? 7.427   -11.800 -27.848 1.000 16.801 0 152 TYR A O   1 ? 
ATOM   1109 C  CB  . TYR A 1 152 ? 5.102   -12.545 -26.615 1.000 17.733 0 152 TYR A CB  1 ? 
ATOM   1110 C  CG  . TYR A 1 152 ? 3.791   -12.857 -25.923 1.000 16.683 0 152 TYR A CG  1 ? 
ATOM   1111 C  CD1 . TYR A 1 152 ? 2.934   -11.845 -25.512 1.000 16.358 0 152 TYR A CD1 1 ? 
ATOM   1112 C  CD2 . TYR A 1 152 ? 3.408   -14.172 -25.683 1.000 16.521 0 152 TYR A CD2 1 ? 
ATOM   1113 C  CE1 . TYR A 1 152 ? 1.743   -12.131 -24.864 1.000 17.014 0 152 TYR A CE1 1 ? 
ATOM   1114 C  CE2 . TYR A 1 152 ? 2.230   -14.467 -25.028 1.000 16.692 0 152 TYR A CE2 1 ? 
ATOM   1115 C  CZ  . TYR A 1 152 ? 1.408   -13.445 -24.589 1.000 15.690 0 152 TYR A CZ  1 ? 
ATOM   1116 O  OH  . TYR A 1 152 ? 0.241   -13.743 -23.924 1.000 15.712 0 152 TYR A OH  1 ? 
ATOM   1117 N  N   . PRO A 1 153 ? 6.511   -10.897 -29.685 1.000 18.798 0 153 PRO A N   1 ? 
ATOM   1118 C  CA  . PRO A 1 153 ? 7.817   -10.520 -30.224 1.000 19.636 0 153 PRO A CA  1 ? 
ATOM   1119 C  C   . PRO A 1 153 ? 8.646   -9.670  -29.264 1.000 16.718 0 153 PRO A C   1 ? 
ATOM   1120 O  O   . PRO A 1 153 ? 8.106   -8.783  -28.626 1.000 18.005 0 153 PRO A O   1 ? 
ATOM   1121 C  CB  . PRO A 1 153 ? 7.526   -9.743  -31.499 1.000 20.999 0 153 PRO A CB  1 ? 
ATOM   1122 C  CG  . PRO A 1 153 ? 6.032   -9.828  -31.712 1.000 20.636 0 153 PRO A CG  1 ? 
ATOM   1123 C  CD  . PRO A 1 153 ? 5.378   -10.430 -30.495 1.000 19.570 0 153 PRO A CD  1 ? 
ATOM   1124 N  N   . GLY A 1 154 ? 9.937   -9.991  -29.164 1.000 18.600 0 154 GLY A N   1 ? 
ATOM   1125 C  CA  . GLY A 1 154 ? 10.872  -9.248  -28.336 1.000 21.148 0 154 GLY A CA  1 ? 
ATOM   1126 C  C   . GLY A 1 154 ? 10.619  -9.391  -26.828 1.000 21.422 0 154 GLY A C   1 ? 
ATOM   1127 O  O   . GLY A 1 154 ? 11.206  -8.630  -26.071 1.000 19.862 0 154 GLY A O   1 ? 
ATOM   1128 N  N   . GLN A 1 155 ? 9.792   -10.357 -26.383 1.000 19.901 0 155 GLN A N   1 ? 
ATOM   1129 C  CA  . GLN A 1 155 ? 9.448   -10.465 -24.961 1.000 19.661 0 155 GLN A CA  1 ? 
ATOM   1130 C  C   . GLN A 1 155 ? 9.803   -11.808 -24.307 1.000 18.568 0 155 GLN A C   1 ? 
ATOM   1131 O  O   . GLN A 1 155 ? 9.778   -11.906 -23.078 1.000 18.366 0 155 GLN A O   1 ? 
ATOM   1132 C  CB  . GLN A 1 155 ? 7.960   -10.211 -24.757 1.000 18.798 0 155 GLN A CB  1 ? 
ATOM   1133 C  CG  . GLN A 1 155 ? 7.564   -8.807  -25.185 1.000 18.979 0 155 GLN A CG  1 ? 
ATOM   1134 C  CD  . GLN A 1 155 ? 6.092   -8.669  -25.439 1.000 19.757 0 155 GLN A CD  1 ? 
ATOM   1135 O  OE1 . GLN A 1 155 ? 5.317   -8.589  -24.488 1.000 21.981 0 155 GLN A OE1 1 ? 
ATOM   1136 N  NE2 . GLN A 1 155 ? 5.695   -8.597  -26.706 1.000 19.509 0 155 GLN A NE2 1 ? 
ATOM   1137 N  N   . ILE A 1 156 ? 10.087  -12.850 -25.094 1.000 16.742 0 156 ILE A N   1 ? 
ATOM   1138 C  CA  . ILE A 1 156 ? 10.301  -14.173 -24.535 1.000 15.868 0 156 ILE A CA  1 ? 
ATOM   1139 C  C   . ILE A 1 156 ? 11.796  -14.422 -24.398 1.000 16.877 0 156 ILE A C   1 ? 
ATOM   1140 O  O   . ILE A 1 156 ? 12.519  -14.387 -25.408 1.000 18.194 0 156 ILE A O   1 ? 
ATOM   1141 C  CB  . ILE A 1 156 ? 9.628   -15.231 -25.429 1.000 15.195 0 156 ILE A CB  1 ? 
ATOM   1142 C  CG1 . ILE A 1 156 ? 8.150   -14.893 -25.661 1.000 14.769 0 156 ILE A CG1 1 ? 
ATOM   1143 C  CG2 . ILE A 1 156 ? 9.813   -16.635 -24.848 1.000 15.013 0 156 ILE A CG2 1 ? 
ATOM   1144 C  CD1 . ILE A 1 156 ? 7.313   -14.857 -24.373 1.000 14.470 0 156 ILE A CD1 1 ? 
ATOM   1145 N  N   . THR A 1 157 ? 12.259  -14.703 -23.172 1.000 15.776 0 157 THR A N   1 ? 
ATOM   1146 C  CA  . THR A 1 157 ? 13.635  -15.108 -22.931 1.000 16.369 0 157 THR A CA  1 ? 
ATOM   1147 C  C   . THR A 1 157 ? 13.772  -16.632 -22.934 1.000 14.657 0 157 THR A C   1 ? 
ATOM   1148 O  O   . THR A 1 157 ? 12.792  -17.376 -22.978 1.000 15.268 0 157 THR A O   1 ? 
ATOM   1149 C  CB  . THR A 1 157 ? 14.123  -14.514 -21.606 1.000 16.405 0 157 THR A CB  1 ? 
ATOM   1150 O  OG1 . THR A 1 157 ? 13.427  -15.209 -20.562 1.000 16.223 0 157 THR A OG1 1 ? 
ATOM   1151 C  CG2 . THR A 1 157 ? 13.874  -13.026 -21.540 1.000 17.223 0 157 THR A CG2 1 ? 
ATOM   1152 N  N   . SER A 1 158 ? 15.010  -17.095 -22.802 1.000 15.438 0 158 SER A N   1 ? 
ATOM   1153 C  CA  . SER A 1 158 ? 15.326  -18.505 -22.694 1.000 15.359 0 158 SER A CA  1 ? 
ATOM   1154 C  C   . SER A 1 158 ? 14.800  -19.107 -21.387 1.000 14.571 0 158 SER A C   1 ? 
ATOM   1155 O  O   . SER A 1 158 ? 14.753  -20.327 -21.285 1.000 13.563 0 158 SER A O   1 ? 
ATOM   1156 C  CB  . SER A 1 158 ? 16.803  -18.717 -22.832 1.000 20.014 0 158 SER A CB  1 ? 
ATOM   1157 O  OG  . SER A 1 158 ? 17.503  -18.042 -21.794 1.000 25.191 0 158 SER A OG  1 ? 
ATOM   1158 N  N   . ASN A 1 159 ? 14.345  -18.267 -20.449 1.000 13.240 0 159 ASN A N   1 ? 
ATOM   1159 C  CA  . ASN A 1 159 ? 13.796  -18.746 -19.173 1.000 13.372 0 159 ASN A CA  1 ? 
ATOM   1160 C  C   . ASN A 1 159 ? 12.270  -18.807 -19.155 1.000 14.258 0 159 ASN A C   1 ? 
ATOM   1161 O  O   . ASN A 1 159 ? 11.666  -18.888 -18.076 1.000 12.601 0 159 ASN A O   1 ? 
ATOM   1162 C  CB  . ASN A 1 159 ? 14.316  -17.897 -18.026 1.000 13.575 0 159 ASN A CB  1 ? 
ATOM   1163 C  CG  . ASN A 1 159 ? 15.825  -17.896 -18.019 1.000 15.393 0 159 ASN A CG  1 ? 
ATOM   1164 O  OD1 . ASN A 1 159 ? 16.425  -18.975 -17.986 1.000 16.439 0 159 ASN A OD1 1 ? 
ATOM   1165 N  ND2 . ASN A 1 159 ? 16.426  -16.717 -18.080 1.000 16.129 0 159 ASN A ND2 1 ? 
ATOM   1166 N  N   . MET A 1 160 ? 11.647  -18.772 -20.355 1.000 13.815 0 160 MET A N   1 ? 
ATOM   1167 C  CA  . MET A 1 160 ? 10.205  -18.669 -20.487 1.000 14.405 0 160 MET A CA  1 ? 
ATOM   1168 C  C   . MET A 1 160 ? 9.731   -19.671 -21.524 1.000 13.672 0 160 MET A C   1 ? 
ATOM   1169 O  O   . MET A 1 160 ? 10.430  -19.916 -22.494 1.000 14.626 0 160 MET A O   1 ? 
ATOM   1170 C  CB  . MET A 1 160 ? 9.762   -17.282 -20.948 1.000 14.302 0 160 MET A CB  1 ? 
ATOM   1171 C  CG  . MET A 1 160 ? 10.025  -16.187 -19.939 1.000 14.481 0 160 MET A CG  1 ? 
ATOM   1172 S  SD  . MET A 1 160 ? 9.640   -14.556 -20.610 1.000 11.861 0 160 MET A SD  1 ? 
ATOM   1173 C  CE  . MET A 1 160 ? 10.594  -13.586 -19.433 1.000 13.947 0 160 MET A CE  1 ? 
ATOM   1174 N  N   . PHE A 1 161 ? 8.556   -20.245 -21.317 1.000 12.313 0 161 PHE A N   1 ? 
ATOM   1175 C  CA  . PHE A 1 161 ? 7.897   -20.959 -22.403 1.000 12.194 0 161 PHE A CA  1 ? 
ATOM   1176 C  C   . PHE A 1 161 ? 6.420   -20.573 -22.408 1.000 14.520 0 161 PHE A C   1 ? 
ATOM   1177 O  O   . PHE A 1 161 ? 5.849   -20.134 -21.405 1.000 13.618 0 161 PHE A O   1 ? 
ATOM   1178 C  CB  . PHE A 1 161 ? 8.061   -22.486 -22.333 1.000 11.956 0 161 PHE A CB  1 ? 
ATOM   1179 C  CG  . PHE A 1 161 ? 7.406   -23.181 -21.144 1.000 11.929 0 161 PHE A CG  1 ? 
ATOM   1180 C  CD1 . PHE A 1 161 ? 6.107   -23.629 -21.183 1.000 13.211 0 161 PHE A CD1 1 ? 
ATOM   1181 C  CD2 . PHE A 1 161 ? 8.122   -23.359 -19.955 1.000 13.122 0 161 PHE A CD2 1 ? 
ATOM   1182 C  CE1 . PHE A 1 161 ? 5.529   -24.287 -20.108 1.000 13.502 0 161 PHE A CE1 1 ? 
ATOM   1183 C  CE2 . PHE A 1 161 ? 7.537   -23.992 -18.865 1.000 13.864 0 161 PHE A CE2 1 ? 
ATOM   1184 C  CZ  . PHE A 1 161 ? 6.266   -24.475 -18.942 1.000 13.505 0 161 PHE A CZ  1 ? 
ATOM   1185 N  N   . CYS A 1 162 ? 5.786   -20.795 -23.572 1.000 14.024 0 162 CYS A N   1 ? 
ATOM   1186 C  CA  . CYS A 1 162 ? 4.357   -20.654 -23.695 1.000 13.687 0 162 CYS A CA  1 ? 
ATOM   1187 C  C   . CYS A 1 162 ? 3.664   -22.018 -23.623 1.000 12.869 0 162 CYS A C   1 ? 
ATOM   1188 O  O   . CYS A 1 162 ? 4.191   -23.047 -24.065 1.000 12.472 0 162 CYS A O   1 ? 
ATOM   1189 C  CB  . CYS A 1 162 ? 3.978   -20.048 -25.043 1.000 13.174 0 162 CYS A CB  1 ? 
ATOM   1190 S  SG  . CYS A 1 162 ? 4.362   -18.292 -25.243 1.000 15.988 0 162 CYS A SG  1 ? 
ATOM   1191 N  N   . ALA A 1 163 ? 2.467   -22.010 -23.033 1.000 13.067 0 163 ALA A N   1 ? 
ATOM   1192 C  CA  . ALA A 1 163 ? 1.609   -23.182 -22.999 1.000 14.634 0 163 ALA A CA  1 ? 
ATOM   1193 C  C   . ALA A 1 163 ? 0.178   -22.713 -23.114 1.000 15.162 0 163 ALA A C   1 ? 
ATOM   1194 O  O   . ALA A 1 163 ? -0.204  -21.661 -22.576 1.000 15.368 0 163 ALA A O   1 ? 
ATOM   1195 C  CB  . ALA A 1 163 ? 1.835   -24.030 -21.742 1.000 15.193 0 163 ALA A CB  1 ? 
ATOM   1196 N  N   . GLY A 1 164 ? -0.634  -23.475 -23.845 1.000 15.755 0 164 GLY A N   1 ? 
ATOM   1197 C  CA  . GLY A 1 164 ? -2.023  -23.087 -23.949 1.000 16.915 0 164 GLY A CA  1 ? 
ATOM   1198 C  C   . GLY A 1 164 ? -2.544  -23.313 -25.361 1.000 18.579 0 164 GLY A C   1 ? 
ATOM   1199 O  O   . GLY A 1 164 ? -2.165  -24.292 -25.987 1.000 16.381 0 164 GLY A O   1 ? 
ATOM   1200 N  N   . TYR A 1 165 ? -3.448  -22.436 -25.793 1.000 18.508 0 165 TYR A N   1 ? 
ATOM   1201 C  CA  . TYR A 1 165 ? -4.151  -22.579 -27.062 1.000 20.406 0 165 TYR A CA  1 ? 
ATOM   1202 C  C   . TYR A 1 165 ? -4.140  -21.235 -27.791 1.000 19.363 0 165 TYR A C   1 ? 
ATOM   1203 O  O   . TYR A 1 165 ? -4.656  -20.261 -27.265 1.000 20.127 0 165 TYR A O   1 ? 
ATOM   1204 C  CB  . TYR A 1 165 ? -5.566  -23.056 -26.719 1.000 21.167 0 165 TYR A CB  1 ? 
ATOM   1205 C  CG  . TYR A 1 165 ? -5.602  -24.387 -25.984 1.000 20.702 0 165 TYR A CG  1 ? 
ATOM   1206 C  CD1 . TYR A 1 165 ? -5.566  -24.451 -24.597 1.000 21.804 0 165 TYR A CD1 1 ? 
ATOM   1207 C  CD2 . TYR A 1 165 ? -5.621  -25.572 -26.691 1.000 22.429 0 165 TYR A CD2 1 ? 
ATOM   1208 C  CE1 . TYR A 1 165 ? -5.603  -25.664 -23.935 1.000 22.345 0 165 TYR A CE1 1 ? 
ATOM   1209 C  CE2 . TYR A 1 165 ? -5.639  -26.793 -26.049 1.000 21.791 0 165 TYR A CE2 1 ? 
ATOM   1210 C  CZ  . TYR A 1 165 ? -5.625  -26.844 -24.670 1.000 22.996 0 165 TYR A CZ  1 ? 
ATOM   1211 O  OH  . TYR A 1 165 ? -5.652  -28.083 -24.100 1.000 20.912 0 165 TYR A OH  1 ? 
ATOM   1212 N  N   . LEU A 1 166 ? -3.602  -21.202 -29.014 1.000 20.298 0 166 LEU A N   1 ? 
ATOM   1213 C  CA  . LEU A 1 166 ? -3.524  -19.958 -29.774 1.000 24.094 0 166 LEU A CA  1 ? 
ATOM   1214 C  C   . LEU A 1 166 ? -4.909  -19.439 -30.164 1.000 24.539 0 166 LEU A C   1 ? 
ATOM   1215 O  O   . LEU A 1 166 ? -5.034  -18.254 -30.468 1.000 24.408 0 166 LEU A O   1 ? 
ATOM   1216 C  CB  . LEU A 1 166 ? -2.624  -20.153 -30.997 1.000 26.318 0 166 LEU A CB  1 ? 
ATOM   1217 C  CG  . LEU A 1 166 ? -1.126  -20.310 -30.700 1.000 26.308 0 166 LEU A CG  1 ? 
ATOM   1218 C  CD1 . LEU A 1 166 ? -0.345  -20.733 -31.925 1.000 27.246 0 166 LEU A CD1 1 ? 
ATOM   1219 C  CD2 . LEU A 1 166 ? -0.566  -19.011 -30.124 1.000 26.039 0 166 LEU A CD2 1 ? 
ATOM   1220 N  N   . GLU A 1 167 ? -5.930  -20.320 -30.125 1.000 24.011 0 167 GLU A N   1 ? 
ATOM   1221 C  CA  . GLU A 1 167 ? -7.297  -19.981 -30.487 1.000 25.624 0 167 GLU A CA  1 ? 
ATOM   1222 C  C   . GLU A 1 167 ? -8.006  -19.307 -29.316 1.000 25.041 0 167 GLU A C   1 ? 
ATOM   1223 O  O   . GLU A 1 167 ? -9.101  -18.815 -29.495 1.000 28.530 0 167 GLU A O   1 ? 
ATOM   1224 C  CB  . GLU A 1 167 ? -8.154  -21.177 -30.923 1.000 26.419 0 167 GLU A CB  1 ? 
ATOM   1225 C  CG  . GLU A 1 167 ? -8.303  -22.273 -29.868 1.000 30.030 0 167 GLU A CG  1 ? 
ATOM   1226 C  CD  . GLU A 1 167 ? -7.301  -23.426 -29.967 1.000 33.172 0 167 GLU A CD  1 ? 
ATOM   1227 O  OE1 . GLU A 1 167 ? -7.762  -24.559 -29.701 1.000 40.974 0 167 GLU A OE1 1 ? 
ATOM   1228 O  OE2 . GLU A 1 167 ? -6.097  -23.245 -30.304 1.000 32.615 0 167 GLU A OE2 1 ? 
ATOM   1229 N  N   . GLY A 1 168 ? -7.381  -19.259 -28.137 1.000 25.068 0 168 GLY A N   1 ? 
ATOM   1230 C  CA  . GLY A 1 168 ? -7.972  -18.592 -26.987 1.000 23.044 0 168 GLY A CA  1 ? 
ATOM   1231 C  C   . GLY A 1 168 ? -8.921  -19.531 -26.247 1.000 22.700 0 168 GLY A C   1 ? 
ATOM   1232 O  O   . GLY A 1 168 ? -9.027  -20.712 -26.574 1.000 24.131 0 168 GLY A O   1 ? 
ATOM   1233 N  N   . GLY A 1 169 ? -9.566  -18.993 -25.216 1.000 19.487 0 169 GLY A N   1 ? 
ATOM   1234 C  CA  . GLY A 1 169 ? -10.659 -19.666 -24.543 1.000 18.553 0 169 GLY A CA  1 ? 
ATOM   1235 C  C   . GLY A 1 169 ? -10.261 -20.475 -23.313 1.000 17.338 0 169 GLY A C   1 ? 
ATOM   1236 O  O   . GLY A 1 169 ? -11.115 -20.680 -22.465 1.000 16.516 0 169 GLY A O   1 ? 
ATOM   1237 N  N   . LYS A 1 170 ? -8.998  -20.906 -23.223 1.000 15.932 0 170 LYS A N   1 ? 
ATOM   1238 C  CA  . LYS A 1 170 ? -8.486  -21.714 -22.119 1.000 15.643 0 170 LYS A CA  1 ? 
ATOM   1239 C  C   . LYS A 1 170 ? -7.079  -21.212 -21.740 1.000 14.813 0 170 LYS A C   1 ? 
ATOM   1240 O  O   . LYS A 1 170 ? -6.167  -21.155 -22.583 1.000 14.053 0 170 LYS A O   1 ? 
ATOM   1241 C  CB  . LYS A 1 170 ? -8.469  -23.190 -22.533 1.000 17.318 0 170 LYS A CB  1 ? 
ATOM   1242 C  CG  . LYS A 1 170 ? -9.846  -23.813 -22.798 1.000 21.250 0 170 LYS A CG  1 ? 
ATOM   1243 C  CD  . LYS A 1 170 ? -9.834  -25.304 -23.108 1.000 26.258 0 170 LYS A CD  1 ? 
ATOM   1244 C  CE  . LYS A 1 170 ? -9.572  -25.552 -24.560 1.000 32.985 0 170 LYS A CE  1 ? 
ATOM   1245 N  NZ  . LYS A 1 170 ? -10.713 -25.236 -25.429 1.000 38.020 0 170 LYS A NZ  1 ? 
ATOM   1246 N  N   . ASP A 1 171 ? -6.883  -20.863 -20.459 1.000 13.336 0 171 ASP A N   1 ? 
ATOM   1247 C  CA  . ASP A 1 171 ? -5.653  -20.184 -20.066 1.000 13.162 0 171 ASP A CA  1 ? 
ATOM   1248 C  C   . ASP A 1 171 ? -5.585  -20.130 -18.535 1.000 12.863 0 171 ASP A C   1 ? 
ATOM   1249 O  O   . ASP A 1 171 ? -6.586  -20.364 -17.834 1.000 13.416 0 171 ASP A O   1 ? 
ATOM   1250 C  CB  . ASP A 1 171 ? -5.550  -18.816 -20.743 1.000 13.875 0 171 ASP A CB  1 ? 
ATOM   1251 C  CG  . ASP A 1 171 ? -4.223  -18.063 -20.668 1.000 14.905 0 171 ASP A CG  1 ? 
ATOM   1252 O  OD1 . ASP A 1 171 ? -3.226  -18.644 -20.197 1.000 14.405 0 171 ASP A OD1 1 ? 
ATOM   1253 O  OD2 . ASP A 1 171 ? -4.213  -16.842 -21.007 1.000 14.585 0 171 ASP A OD2 1 ? 
ATOM   1254 N  N   . SER A 1 172 ? -4.410  -19.774 -18.001 1.000 12.768 0 172 SER A N   1 ? 
ATOM   1255 C  CA  . SER A 1 172 ? -4.360  -19.351 -16.617 1.000 11.935 0 172 SER A CA  1 ? 
ATOM   1256 C  C   . SER A 1 172 ? -4.641  -17.847 -16.580 1.000 11.811 0 172 SER A C   1 ? 
ATOM   1257 O  O   . SER A 1 172 ? -4.872  -17.240 -17.628 1.000 11.010 0 172 SER A O   1 ? 
ATOM   1258 C  CB  . SER A 1 172 ? -3.023  -19.791 -15.988 1.000 12.349 0 172 SER A CB  1 ? 
ATOM   1259 O  OG  . SER A 1 172 ? -1.918  -19.285 -16.744 1.000 12.304 0 172 SER A OG  1 ? 
ATOM   1260 N  N   . CYS A 1 173 ? -4.752  -17.264 -15.370 1.000 10.868 0 173 CYS A N   1 ? 
ATOM   1261 C  CA  . CYS A 1 173 ? -5.212  -15.894 -15.225 1.000 11.498 0 173 CYS A CA  1 ? 
ATOM   1262 C  C   . CYS A 1 173 ? -4.713  -15.327 -13.895 1.000 11.623 0 173 CYS A C   1 ? 
ATOM   1263 O  O   . CYS A 1 173 ? -4.069  -16.021 -13.133 1.000 10.568 0 173 CYS A O   1 ? 
ATOM   1264 C  CB  . CYS A 1 173 ? -6.733  -15.830 -15.405 1.000 11.881 0 173 CYS A CB  1 ? 
ATOM   1265 S  SG  . CYS A 1 173 ? -7.367  -14.202 -15.889 1.000 13.562 0 173 CYS A SG  1 ? 
ATOM   1266 N  N   . GLN A 1 174 ? -4.934  -14.017 -13.702 1.000 15.035 0 174 GLN A N   1 ? 
ATOM   1267 C  CA  . GLN A 1 174 ? -4.694  -13.336 -12.437 1.000 17.410 0 174 GLN A CA  1 ? 
ATOM   1268 C  C   . GLN A 1 174 ? -5.153  -14.185 -11.252 1.000 14.677 0 174 GLN A C   1 ? 
ATOM   1269 O  O   . GLN A 1 174 ? -6.308  -14.571 -11.145 1.000 13.084 0 174 GLN A O   1 ? 
ATOM   1270 C  CB  . GLN A 1 174 ? -5.397  -11.978 -12.391 1.000 23.333 0 174 GLN A CB  1 ? 
ATOM   1271 C  CG  . GLN A 1 174 ? -4.841  -10.963 -13.383 1.000 30.706 0 174 GLN A CG  1 ? 
ATOM   1272 C  CD  . GLN A 1 174 ? -5.586  -10.946 -14.705 1.000 39.970 0 174 GLN A CD  1 ? 
ATOM   1273 O  OE1 . GLN A 1 174 ? -6.826  -10.942 -14.748 1.000 47.441 0 174 GLN A OE1 1 ? 
ATOM   1274 N  NE2 . GLN A 1 174 ? -4.835  -10.887 -15.799 1.000 46.323 0 174 GLN A NE2 1 ? 
ATOM   1275 N  N   . GLY A 1 175 ? -4.224  -14.430 -10.324 1.000 12.882 0 175 GLY A N   1 ? 
ATOM   1276 C  CA  . GLY A 1 175 ? -4.529  -15.159 -9.108  1.000 12.426 0 175 GLY A CA  1 ? 
ATOM   1277 C  C   . GLY A 1 175 ? -4.085  -16.609 -9.176  1.000 12.177 0 175 GLY A C   1 ? 
ATOM   1278 O  O   . GLY A 1 175 ? -4.072  -17.304 -8.158  1.000 12.672 0 175 GLY A O   1 ? 
ATOM   1279 N  N   . ASP A 1 176 ? -3.711  -17.042 -10.388 1.000 11.136 0 176 ASP A N   1 ? 
ATOM   1280 C  CA  . ASP A 1 176 ? -3.079  -18.334 -10.595 1.000 10.958 0 176 ASP A CA  1 ? 
ATOM   1281 C  C   . ASP A 1 176 ? -1.552  -18.207 -10.514 1.000 11.013 0 176 ASP A C   1 ? 
ATOM   1282 O  O   . ASP A 1 176 ? -0.843  -19.211 -10.461 1.000 11.288 0 176 ASP A O   1 ? 
ATOM   1283 C  CB  . ASP A 1 176 ? -3.441  -18.912 -11.954 1.000 10.555 0 176 ASP A CB  1 ? 
ATOM   1284 C  CG  . ASP A 1 176 ? -4.876  -19.380 -12.155 1.000 10.957 0 176 ASP A CG  1 ? 
ATOM   1285 O  OD1 . ASP A 1 176 ? -5.477  -19.912 -11.177 1.000 11.944 0 176 ASP A OD1 1 ? 
ATOM   1286 O  OD2 . ASP A 1 176 ? -5.422  -19.127 -13.258 1.000 11.631 0 176 ASP A OD2 1 ? 
ATOM   1287 N  N   . SER A 1 177 ? -1.060  -16.965 -10.640 1.000 11.530 0 177 SER A N   1 ? 
ATOM   1288 C  CA  . SER A 1 177 ? 0.359   -16.638 -10.564 1.000 11.902 0 177 SER A CA  1 ? 
ATOM   1289 C  C   . SER A 1 177 ? 1.072   -17.419 -9.458  1.000 9.978  0 177 SER A C   1 ? 
ATOM   1290 O  O   . SER A 1 177 ? 0.576   -17.469 -8.338  1.000 9.049  0 177 SER A O   1 ? 
ATOM   1291 C  CB  . SER A 1 177 ? 0.530   -15.160 -10.348 1.000 13.150 0 177 SER A CB  1 ? 
ATOM   1292 O  OG  . SER A 1 177 ? 0.184   -14.472 -11.529 1.000 17.361 0 177 SER A OG  1 ? 
ATOM   1293 N  N   . GLY A 1 178 ? 2.228   -18.009 -9.803  1.000 9.283  0 178 GLY A N   1 ? 
ATOM   1294 C  CA  . GLY A 1 178 ? 3.078   -18.717 -8.836  1.000 9.180  0 178 GLY A CA  1 ? 
ATOM   1295 C  C   . GLY A 1 178 ? 2.809   -20.224 -8.791  1.000 9.247  0 178 GLY A C   1 ? 
ATOM   1296 O  O   . GLY A 1 178 ? 3.646   -21.011 -8.319  1.000 9.317  0 178 GLY A O   1 ? 
ATOM   1297 N  N   . GLY A 1 179 ? 1.669   -20.624 -9.376  1.000 9.462  0 179 GLY A N   1 ? 
ATOM   1298 C  CA  . GLY A 1 179 ? 1.188   -21.994 -9.347  1.000 9.881  0 179 GLY A CA  1 ? 
ATOM   1299 C  C   . GLY A 1 179 ? 1.914   -22.911 -10.343 1.000 9.371  0 179 GLY A C   1 ? 
ATOM   1300 O  O   . GLY A 1 179 ? 2.726   -22.484 -11.155 1.000 11.240 0 179 GLY A O   1 ? 
ATOM   1301 N  N   . PRO A 1 180 ? 1.586   -24.216 -10.285 1.000 9.953  0 180 PRO A N   1 ? 
ATOM   1302 C  CA  . PRO A 1 180 ? 2.308   -25.273 -10.986 1.000 10.381 0 180 PRO A CA  1 ? 
ATOM   1303 C  C   . PRO A 1 180 ? 1.826   -25.507 -12.396 1.000 10.631 0 180 PRO A C   1 ? 
ATOM   1304 O  O   . PRO A 1 180 ? 0.646   -25.407 -12.669 1.000 11.112 0 180 PRO A O   1 ? 
ATOM   1305 C  CB  . PRO A 1 180 ? 2.074   -26.543 -10.219 1.000 11.191 0 180 PRO A CB  1 ? 
ATOM   1306 C  CG  . PRO A 1 180 ? 0.834   -26.245 -9.380  1.000 11.023 0 180 PRO A CG  1 ? 
ATOM   1307 C  CD  . PRO A 1 180 ? 0.617   -24.761 -9.340  1.000 10.650 0 180 PRO A CD  1 ? 
ATOM   1308 N  N   . VAL A 1 181 ? 2.804   -25.842 -13.237 1.000 10.372 0 181 VAL A N   1 ? 
ATOM   1309 C  CA  . VAL A 1 181 ? 2.600   -26.493 -14.519 1.000 11.791 0 181 VAL A CA  1 ? 
ATOM   1310 C  C   . VAL A 1 181 ? 3.363   -27.796 -14.415 1.000 11.886 0 181 VAL A C   1 ? 
ATOM   1311 O  O   . VAL A 1 181 ? 4.613   -27.761 -14.356 1.000 12.138 0 181 VAL A O   1 ? 
ATOM   1312 C  CB  . VAL A 1 181 ? 3.176   -25.686 -15.692 1.000 12.021 0 181 VAL A CB  1 ? 
ATOM   1313 C  CG1 . VAL A 1 181 ? 2.873   -26.362 -17.016 1.000 13.346 0 181 VAL A CG1 1 ? 
ATOM   1314 C  CG2 . VAL A 1 181 ? 2.658   -24.250 -15.673 1.000 11.526 0 181 VAL A CG2 1 ? 
ATOM   1315 N  N   . VAL A 1 182 ? 2.608   -28.899 -14.357 1.000 10.623 0 182 VAL A N   1 ? 
ATOM   1316 C  CA  . VAL A 1 182 ? 3.210   -30.207 -14.141 1.000 11.470 0 182 VAL A CA  1 ? 
ATOM   1317 C  C   . VAL A 1 182 ? 2.987   -31.048 -15.395 1.000 12.106 0 182 VAL A C   1 ? 
ATOM   1318 O  O   . VAL A 1 182 ? 1.878   -31.168 -15.893 1.000 11.540 0 182 VAL A O   1 ? 
ATOM   1319 C  CB  . VAL A 1 182 ? 2.610   -30.900 -12.903 1.000 11.579 0 182 VAL A CB  1 ? 
ATOM   1320 C  CG1 . VAL A 1 182 ? 2.987   -32.381 -12.873 1.000 12.804 0 182 VAL A CG1 1 ? 
ATOM   1321 C  CG2 . VAL A 1 182 ? 3.046   -30.210 -11.625 1.000 12.509 0 182 VAL A CG2 1 ? 
ATOM   1322 N  N   . CYS A 1 183 ? 4.054   -31.725 -15.829 1.000 13.055 0 183 CYS A N   1 ? 
ATOM   1323 C  CA  . CYS A 1 183 ? 4.052   -32.475 -17.062 1.000 13.706 0 183 CYS A CA  1 ? 
ATOM   1324 C  C   . CYS A 1 183 ? 4.791   -33.773 -16.780 1.000 15.076 0 183 CYS A C   1 ? 
ATOM   1325 O  O   . CYS A 1 183 ? 5.920   -33.749 -16.272 1.000 15.490 0 183 CYS A O   1 ? 
ATOM   1326 C  CB  . CYS A 1 183 ? 4.719   -31.735 -18.224 1.000 13.814 0 183 CYS A CB  1 ? 
ATOM   1327 S  SG  . CYS A 1 183 ? 4.484   -29.939 -18.260 1.000 13.923 0 183 CYS A SG  1 ? 
ATOM   1328 N  N   . SER A 1 184 ? 4.119   -34.887 -17.079 1.000 17.271 0 184 SER A N   1 ? 
ATOM   1329 C  CA  . SER A 1 184 ? 4.660   -36.212 -16.798 1.000 18.287 0 184 SER A CA  1 ? 
ATOM   1330 C  C   . SER A 1 184 ? 5.273   -36.285 -15.399 1.000 17.270 0 184 SER A C   1 ? 
ATOM   1331 O  O   . SER A 1 184 ? 6.356   -36.845 -15.216 1.000 18.101 0 184 SER A O   1 ? 
ATOM   1332 C  CB  . SER A 1 184 ? 5.660   -36.568 -17.847 1.000 20.715 0 184 SER A CB  1 ? 
ATOM   1333 O  OG  . SER A 1 184 ? 5.038   -36.532 -19.117 1.000 24.889 0 184 SER A OG  1 ? 
ATOM   1334 N  N   . GLY A 1 185 ? 4.514   -35.802 -14.407 1.000 16.685 0 185 GLY A N   1 ? 
ATOM   1335 C  CA  . GLY A 1 185 ? 4.827   -35.984 -13.002 1.000 17.071 0 185 GLY A CA  1 ? 
ATOM   1336 C  C   . GLY A 1 185 ? 5.926   -35.066 -12.497 1.000 16.803 0 185 GLY A C   1 ? 
ATOM   1337 O  O   . GLY A 1 185 ? 6.440   -35.297 -11.400 1.000 18.792 0 185 GLY A O   1 ? 
ATOM   1338 N  N   . LYS A 1 186 ? 6.367   -34.099 -13.314 1.000 15.269 0 186 LYS A N   1 ? 
ATOM   1339 C  CA  . LYS A 1 186 ? 7.461   -33.201 -12.932 1.000 14.974 0 186 LYS A CA  1 ? 
ATOM   1340 C  C   . LYS A 1 186 ? 7.009   -31.752 -13.056 1.000 13.236 0 186 LYS A C   1 ? 
ATOM   1341 O  O   . LYS A 1 186 ? 6.254   -31.431 -13.987 1.000 12.494 0 186 LYS A O   1 ? 
ATOM   1342 C  CB  . LYS A 1 186 ? 8.726   -33.264 -13.806 1.000 17.802 0 186 LYS A CB  1 ? 
ATOM   1343 C  CG  . LYS A 1 186 ? 9.289   -34.650 -14.097 1.000 21.534 0 186 LYS A CG  1 ? 
ATOM   1344 C  CD  . LYS A 1 186 ? 9.735   -35.468 -12.892 1.000 25.487 0 186 LYS A CD  1 ? 
ATOM   1345 C  CE  . LYS A 1 186 ? 10.194  -36.817 -13.373 1.000 30.407 0 186 LYS A CE  1 ? 
ATOM   1346 N  NZ  . LYS A 1 186 ? 11.199  -37.372 -12.472 1.000 34.505 0 186 LYS A NZ  1 ? 
ATOM   1347 N  N   . LEU A 1 187 ? 7.535   -30.886 -12.169 1.000 12.678 0 187 LEU A N   1 ? 
ATOM   1348 C  CA  . LEU A 1 187 ? 7.253   -29.455 -12.212 1.000 11.596 0 187 LEU A CA  1 ? 
ATOM   1349 C  C   . LEU A 1 187 ? 8.063   -28.824 -13.342 1.000 11.600 0 187 LEU A C   1 ? 
ATOM   1350 O  O   . LEU A 1 187 ? 9.243   -28.602 -13.194 1.000 14.769 0 187 LEU A O   1 ? 
ATOM   1351 C  CB  . LEU A 1 187 ? 7.565   -28.802 -10.862 1.000 12.274 0 187 LEU A CB  1 ? 
ATOM   1352 C  CG  . LEU A 1 187 ? 7.174   -27.316 -10.732 1.000 13.021 0 187 LEU A CG  1 ? 
ATOM   1353 C  CD1 . LEU A 1 187 ? 5.686   -27.160 -10.736 1.000 14.052 0 187 LEU A CD1 1 ? 
ATOM   1354 C  CD2 . LEU A 1 187 ? 7.791   -26.723 -9.492  1.000 12.820 0 187 LEU A CD2 1 ? 
ATOM   1355 N  N   . GLN A 1 188 ? 7.402   -28.447 -14.435 1.000 11.894 0 188 GLN A N   1 ? 
ATOM   1356 C  CA  . GLN A 1 188 ? 8.100   -27.843 -15.565 1.000 11.838 0 188 GLN A CA  1 ? 
ATOM   1357 C  C   . GLN A 1 188 ? 7.938   -26.322 -15.627 1.000 10.760 0 188 GLN A C   1 ? 
ATOM   1358 O  O   . GLN A 1 188 ? 8.778   -25.647 -16.227 1.000 11.959 0 188 GLN A O   1 ? 
ATOM   1359 C  CB  . GLN A 1 188 ? 7.664   -28.527 -16.859 1.000 12.729 0 188 GLN A CB  1 ? 
ATOM   1360 C  CG  . GLN A 1 188 ? 8.210   -29.943 -17.002 1.000 14.592 0 188 GLN A CG  1 ? 
ATOM   1361 C  CD  . GLN A 1 188 ? 9.704   -30.013 -17.292 1.000 15.722 0 188 GLN A CD  1 ? 
ATOM   1362 O  OE1 . GLN A 1 188 ? 10.421  -29.006 -17.434 1.000 20.081 0 188 GLN A OE1 1 ? 
ATOM   1363 N  NE2 . GLN A 1 188 ? 10.193  -31.239 -17.374 1.000 15.475 0 188 GLN A NE2 1 ? 
ATOM   1364 N  N   . GLY A 1 189 ? 6.893   -25.773 -14.976 1.000 10.201 0 189 GLY A N   1 ? 
ATOM   1365 C  CA  . GLY A 1 189 ? 6.585   -24.382 -15.141 1.000 10.309 0 189 GLY A CA  1 ? 
ATOM   1366 C  C   . GLY A 1 189 ? 5.956   -23.770 -13.904 1.000 9.653  0 189 GLY A C   1 ? 
ATOM   1367 O  O   . GLY A 1 189 ? 5.386   -24.471 -13.056 1.000 10.284 0 189 GLY A O   1 ? 
ATOM   1368 N  N   . ILE A 1 190 ? 6.030   -22.446 -13.876 1.000 10.532 0 190 ILE A N   1 ? 
ATOM   1369 C  CA  . ILE A 1 190 ? 5.383   -21.598 -12.889 1.000 11.390 0 190 ILE A CA  1 ? 
ATOM   1370 C  C   . ILE A 1 190 ? 4.536   -20.580 -13.655 1.000 10.636 0 190 ILE A C   1 ? 
ATOM   1371 O  O   . ILE A 1 190 ? 5.056   -19.938 -14.548 1.000 10.803 0 190 ILE A O   1 ? 
ATOM   1372 C  CB  . ILE A 1 190 ? 6.452   -20.899 -12.030 1.000 13.853 0 190 ILE A CB  1 ? 
ATOM   1373 C  CG1 . ILE A 1 190 ? 7.285   -21.937 -11.274 1.000 15.130 0 190 ILE A CG1 1 ? 
ATOM   1374 C  CG2 . ILE A 1 190 ? 5.823   -19.856 -11.098 1.000 14.214 0 190 ILE A CG2 1 ? 
ATOM   1375 C  CD1 . ILE A 1 190 ? 8.502   -21.342 -10.605 1.000 16.608 0 190 ILE A CD1 1 ? 
ATOM   1376 N  N   . VAL A 1 191 ? 3.294   -20.354 -13.222 1.000 10.462 0 191 VAL A N   1 ? 
ATOM   1377 C  CA  . VAL A 1 191 ? 2.395   -19.383 -13.837 1.000 10.416 0 191 VAL A CA  1 ? 
ATOM   1378 C  C   . VAL A 1 191 ? 3.007   -17.978 -13.667 1.000 11.273 0 191 VAL A C   1 ? 
ATOM   1379 O  O   . VAL A 1 191 ? 3.221   -17.524 -12.533 1.000 11.882 0 191 VAL A O   1 ? 
ATOM   1380 C  CB  . VAL A 1 191 ? 0.975   -19.449 -13.233 1.000 10.482 0 191 VAL A CB  1 ? 
ATOM   1381 C  CG1 . VAL A 1 191 ? 0.044   -18.409 -13.885 1.000 11.242 0 191 VAL A CG1 1 ? 
ATOM   1382 C  CG2 . VAL A 1 191 ? 0.376   -20.843 -13.302 1.000 10.179 0 191 VAL A CG2 1 ? 
ATOM   1383 N  N   . SER A 1 192 ? 3.327   -17.309 -14.793 1.000 10.283 0 192 SER A N   1 ? 
ATOM   1384 C  CA  . SER A 1 192 ? 4.080   -16.054 -14.722 1.000 9.616  0 192 SER A CA  1 ? 
ATOM   1385 C  C   . SER A 1 192 ? 3.328   -14.864 -15.318 1.000 10.086 0 192 SER A C   1 ? 
ATOM   1386 O  O   . SER A 1 192 ? 2.960   -13.942 -14.586 1.000 12.337 0 192 SER A O   1 ? 
ATOM   1387 C  CB  . SER A 1 192 ? 5.474   -16.192 -15.294 1.000 8.632  0 192 SER A CB  1 ? 
ATOM   1388 O  OG  . SER A 1 192 ? 6.151   -14.954 -15.324 1.000 7.218  0 192 SER A OG  1 ? 
ATOM   1389 N  N   . TRP A 1 193 ? 2.990   -14.886 -16.613 1.000 9.902  0 193 TRP A N   1 ? 
ATOM   1390 C  CA  . TRP A 1 193 ? 2.353   -13.722 -17.171 1.000 10.191 0 193 TRP A CA  1 ? 
ATOM   1391 C  C   . TRP A 1 193 ? 1.598   -14.038 -18.456 1.000 11.557 0 193 TRP A C   1 ? 
ATOM   1392 O  O   . TRP A 1 193 ? 1.540   -15.169 -18.920 1.000 10.154 0 193 TRP A O   1 ? 
ATOM   1393 C  CB  . TRP A 1 193 ? 3.368   -12.592 -17.373 1.000 10.133 0 193 TRP A CB  1 ? 
ATOM   1394 C  CG  . TRP A 1 193 ? 4.464   -12.798 -18.379 1.000 10.547 0 193 TRP A CG  1 ? 
ATOM   1395 C  CD1 . TRP A 1 193 ? 5.664   -13.368 -18.129 1.000 10.371 0 193 TRP A CD1 1 ? 
ATOM   1396 C  CD2 . TRP A 1 193 ? 4.505   -12.362 -19.754 1.000 11.914 0 193 TRP A CD2 1 ? 
ATOM   1397 N  NE1 . TRP A 1 193 ? 6.462   -13.318 -19.245 1.000 11.540 0 193 TRP A NE1 1 ? 
ATOM   1398 C  CE2 . TRP A 1 193 ? 5.761   -12.720 -20.258 1.000 11.500 0 193 TRP A CE2 1 ? 
ATOM   1399 C  CE3 . TRP A 1 193 ? 3.589   -11.711 -20.600 1.000 13.383 0 193 TRP A CE3 1 ? 
ATOM   1400 C  CZ2 . TRP A 1 193 ? 6.147   -12.442 -21.571 1.000 12.872 0 193 TRP A CZ2 1 ? 
ATOM   1401 C  CZ3 . TRP A 1 193 ? 3.961   -11.464 -21.900 1.000 13.136 0 193 TRP A CZ3 1 ? 
ATOM   1402 C  CH2 . TRP A 1 193 ? 5.232   -11.781 -22.355 1.000 12.076 0 193 TRP A CH2 1 ? 
ATOM   1403 N  N   . GLY A 1 194 ? 0.978   -12.981 -18.976 1.000 12.845 0 194 GLY A N   1 ? 
ATOM   1404 C  CA  . GLY A 1 194 ? 0.302   -13.085 -20.261 1.000 15.170 0 194 GLY A CA  1 ? 
ATOM   1405 C  C   . GLY A 1 194 ? -0.467  -11.801 -20.509 1.000 16.643 0 194 GLY A C   1 ? 
ATOM   1406 O  O   . GLY A 1 194 ? -0.715  -11.026 -19.581 1.000 20.649 0 194 GLY A O   1 ? 
ATOM   1407 N  N   . SER A 1 195 ? -0.868  -11.597 -21.755 1.000 15.927 0 195 SER A N   1 ? 
ATOM   1408 C  CA  . SER A 1 195 ? -1.622  -10.405 -22.073 1.000 16.938 0 195 SER A CA  1 ? 
ATOM   1409 C  C   . SER A 1 195 ? -3.115  -10.683 -21.948 1.000 15.891 0 195 SER A C   1 ? 
ATOM   1410 O  O   . SER A 1 195 ? -3.686  -11.418 -22.741 1.000 17.253 0 195 SER A O   1 ? 
ATOM   1411 C  CB  . SER A 1 195 ? -1.237  -9.905  -23.456 1.000 18.872 0 195 SER A CB  1 ? 
ATOM   1412 O  OG  . SER A 1 195 ? -2.012  -8.745  -23.722 1.000 22.193 0 195 SER A OG  1 ? 
ATOM   1413 N  N   . GLY A 1 196 ? -3.762  -10.142 -20.918 1.000 15.726 0 196 GLY A N   1 ? 
ATOM   1414 C  CA  . GLY A 1 196 ? -5.108  -10.575 -20.612 1.000 16.882 0 196 GLY A CA  1 ? 
ATOM   1415 C  C   . GLY A 1 196 ? -5.125  -12.055 -20.230 1.000 16.389 0 196 GLY A C   1 ? 
ATOM   1416 O  O   . GLY A 1 196 ? -4.104  -12.552 -19.781 1.000 16.654 0 196 GLY A O   1 ? 
ATOM   1417 N  N   . CYS A 1 197 ? -6.287  -12.716 -20.379 1.000 15.260 0 197 CYS A N   1 ? 
ATOM   1418 C  CA  . CYS A 1 197 ? -6.415  -14.139 -20.136 1.000 13.406 0 197 CYS A CA  1 ? 
ATOM   1419 C  C   . CYS A 1 197 ? -7.270  -14.728 -21.239 1.000 15.646 0 197 CYS A C   1 ? 
ATOM   1420 O  O   . CYS A 1 197 ? -8.355  -14.214 -21.477 1.000 17.376 0 197 CYS A O   1 ? 
ATOM   1421 C  CB  . CYS A 1 197 ? -7.117  -14.439 -18.819 1.000 12.390 0 197 CYS A CB  1 ? 
ATOM   1422 S  SG  . CYS A 1 197 ? -6.275  -13.608 -17.451 1.000 12.603 0 197 CYS A SG  1 ? 
ATOM   1423 N  N   . ALA A 1 198 ? -6.799  -15.828 -21.819 1.000 14.026 0 198 ALA A N   1 ? 
ATOM   1424 C  CA  . ALA A 1 198 ? -7.567  -16.642 -22.753 1.000 15.219 0 198 ALA A CA  1 ? 
ATOM   1425 C  C   . ALA A 1 198 ? -7.908  -15.894 -24.039 1.000 18.499 0 198 ALA A C   1 ? 
ATOM   1426 O  O   . ALA A 1 198 ? -8.826  -16.332 -24.744 1.000 16.571 0 198 ALA A O   1 ? 
ATOM   1427 C  CB  . ALA A 1 198 ? -8.810  -17.183 -22.080 1.000 16.640 0 198 ALA A CB  1 ? 
ATOM   1428 N  N   . GLN A 1 199 ? -7.089  -14.886 -24.390 1.000 18.718 0 199 GLN A N   1 ? 
ATOM   1429 C  CA  . GLN A 1 199 ? -7.252  -14.126 -25.620 1.000 19.734 0 199 GLN A CA  1 ? 
ATOM   1430 C  C   . GLN A 1 199 ? -6.620  -14.885 -26.782 1.000 19.446 0 199 GLN A C   1 ? 
ATOM   1431 O  O   . GLN A 1 199 ? -5.647  -15.606 -26.636 1.000 19.483 0 199 GLN A O   1 ? 
ATOM   1432 C  CB  . GLN A 1 199 ? -6.622  -12.727 -25.572 1.000 24.026 0 199 GLN A CB  1 ? 
ATOM   1433 C  CG  . GLN A 1 199 ? -7.144  -11.831 -24.449 1.000 29.136 0 199 GLN A CG  1 ? 
ATOM   1434 C  CD  . GLN A 1 199 ? -8.641  -11.635 -24.520 1.000 32.117 0 199 GLN A CD  1 ? 
ATOM   1435 O  OE1 . GLN A 1 199 ? -9.154  -11.036 -25.470 1.000 42.550 0 199 GLN A OE1 1 ? 
ATOM   1436 N  NE2 . GLN A 1 199 ? -9.373  -12.178 -23.553 1.000 38.447 0 199 GLN A NE2 1 ? 
ATOM   1437 N  N   . LYS A 1 200 ? -7.171  -14.695 -27.984 1.000 21.752 0 200 LYS A N   1 ? 
ATOM   1438 C  CA  . LYS A 1 200 ? -6.630  -15.358 -29.160 1.000 22.022 0 200 LYS A CA  1 ? 
ATOM   1439 C  C   . LYS A 1 200 ? -5.229  -14.811 -29.435 1.000 20.479 0 200 LYS A C   1 ? 
ATOM   1440 O  O   . LYS A 1 200 ? -4.995  -13.619 -29.236 1.000 20.884 0 200 LYS A O   1 ? 
ATOM   1441 C  CB  . LYS A 1 200 ? -7.643  -15.137 -30.297 1.000 25.146 0 200 LYS A CB  1 ? 
ATOM   1442 C  CG  . LYS A 1 200 ? -7.270  -15.721 -31.629 1.000 29.817 0 200 LYS A CG  1 ? 
ATOM   1443 C  CD  . LYS A 1 200 ? -8.391  -15.493 -32.648 1.000 36.185 0 200 LYS A CD  1 ? 
ATOM   1444 C  CE  . LYS A 1 200 ? -7.925  -15.501 -34.085 1.000 43.370 0 200 LYS A CE  1 ? 
ATOM   1445 N  NZ  . LYS A 1 200 ? -7.398  -16.805 -34.500 1.000 47.906 0 200 LYS A NZ  1 ? 
ATOM   1446 N  N   . ASN A 1 201 ? -4.316  -15.717 -29.826 1.000 20.566 0 201 ASN A N   1 ? 
ATOM   1447 C  CA  . ASN A 1 201 ? -2.918  -15.474 -30.156 1.000 21.931 0 201 ASN A CA  1 ? 
ATOM   1448 C  C   . ASN A 1 201 ? -2.152  -14.862 -28.986 1.000 20.338 0 201 ASN A C   1 ? 
ATOM   1449 O  O   . ASN A 1 201 ? -1.191  -14.136 -29.203 1.000 21.433 0 201 ASN A O   1 ? 
ATOM   1450 C  CB  . ASN A 1 201 ? -2.758  -14.641 -31.414 1.000 25.751 0 201 ASN A CB  1 ? 
ATOM   1451 C  CG  . ASN A 1 201 ? -3.321  -15.335 -32.630 1.000 30.628 0 201 ASN A CG  1 ? 
ATOM   1452 O  OD1 . ASN A 1 201 ? -4.070  -14.724 -33.402 1.000 40.193 0 201 ASN A OD1 1 ? 
ATOM   1453 N  ND2 . ASN A 1 201 ? -2.954  -16.588 -32.842 1.000 33.613 0 201 ASN A ND2 1 ? 
ATOM   1454 N  N   . LYS A 1 202 ? -2.600  -15.136 -27.760 1.000 18.830 0 202 LYS A N   1 ? 
ATOM   1455 C  CA  . LYS A 1 202 ? -1.939  -14.601 -26.578 1.000 19.834 0 202 LYS A CA  1 ? 
ATOM   1456 C  C   . LYS A 1 202 ? -1.911  -15.688 -25.505 1.000 18.023 0 202 LYS A C   1 ? 
ATOM   1457 O  O   . LYS A 1 202 ? -2.667  -15.638 -24.539 1.000 17.881 0 202 LYS A O   1 ? 
ATOM   1458 C  CB  . LYS A 1 202 ? -2.639  -13.332 -26.081 1.000 21.286 0 202 LYS A CB  1 ? 
ATOM   1459 C  CG  . LYS A 1 202 ? -2.506  -12.081 -26.981 1.000 24.226 0 202 LYS A CG  1 ? 
ATOM   1460 C  CD  . LYS A 1 202 ? -1.089  -11.530 -27.155 1.000 28.938 0 202 LYS A CD  1 ? 
ATOM   1461 C  CE  . LYS A 1 202 ? -0.906  -10.663 -28.364 1.000 29.729 0 202 LYS A CE  1 ? 
ATOM   1462 N  NZ  . LYS A 1 202 ? 0.413   -10.030 -28.358 1.000 30.448 0 202 LYS A NZ  1 ? 
ATOM   1463 N  N   . PRO A 1 203 ? -1.092  -16.745 -25.663 1.000 15.787 0 203 PRO A N   1 ? 
ATOM   1464 C  CA  . PRO A 1 203 ? -1.119  -17.849 -24.711 1.000 15.214 0 203 PRO A CA  1 ? 
ATOM   1465 C  C   . PRO A 1 203 ? -0.448  -17.407 -23.409 1.000 13.699 0 203 PRO A C   1 ? 
ATOM   1466 O  O   . PRO A 1 203 ? 0.114   -16.327 -23.331 1.000 13.779 0 203 PRO A O   1 ? 
ATOM   1467 C  CB  . PRO A 1 203 ? -0.364  -18.957 -25.426 1.000 14.101 0 203 PRO A CB  1 ? 
ATOM   1468 C  CG  . PRO A 1 203 ? 0.608   -18.193 -26.293 1.000 15.185 0 203 PRO A CG  1 ? 
ATOM   1469 C  CD  . PRO A 1 203 ? -0.097  -16.935 -26.729 1.000 15.372 0 203 PRO A CD  1 ? 
ATOM   1470 N  N   . GLY A 1 204 ? -0.553  -18.267 -22.400 1.000 12.887 0 204 GLY A N   1 ? 
ATOM   1471 C  CA  . GLY A 1 204 ? 0.141   -18.090 -21.140 1.000 12.160 0 204 GLY A CA  1 ? 
ATOM   1472 C  C   . GLY A 1 204 ? 1.650   -18.251 -21.268 1.000 13.179 0 204 GLY A C   1 ? 
ATOM   1473 O  O   . GLY A 1 204 ? 2.103   -19.103 -22.011 1.000 11.299 0 204 GLY A O   1 ? 
ATOM   1474 N  N   . VAL A 1 205 ? 2.403   -17.489 -20.445 1.000 12.810 0 205 VAL A N   1 ? 
ATOM   1475 C  CA  . VAL A 1 205 ? 3.848   -17.533 -20.417 1.000 11.758 0 205 VAL A CA  1 ? 
ATOM   1476 C  C   . VAL A 1 205 ? 4.253   -17.976 -19.007 1.000 11.822 0 205 VAL A C   1 ? 
ATOM   1477 O  O   . VAL A 1 205 ? 3.698   -17.486 -18.010 1.000 11.427 0 205 VAL A O   1 ? 
ATOM   1478 C  CB  . VAL A 1 205 ? 4.482   -16.179 -20.796 1.000 12.732 0 205 VAL A CB  1 ? 
ATOM   1479 C  CG1 . VAL A 1 205 ? 6.005   -16.260 -20.863 1.000 13.767 0 205 VAL A CG1 1 ? 
ATOM   1480 C  CG2 . VAL A 1 205 ? 3.879   -15.632 -22.086 1.000 12.658 0 205 VAL A CG2 1 ? 
ATOM   1481 N  N   . TYR A 1 206 ? 5.183   -18.945 -18.982 1.000 12.270 0 206 TYR A N   1 ? 
ATOM   1482 C  CA  . TYR A 1 206 ? 5.565   -19.660 -17.775 1.000 12.224 0 206 TYR A CA  1 ? 
ATOM   1483 C  C   . TYR A 1 206 ? 7.075   -19.612 -17.565 1.000 12.164 0 206 TYR A C   1 ? 
ATOM   1484 O  O   . TYR A 1 206 ? 7.889   -19.650 -18.498 1.000 11.694 0 206 TYR A O   1 ? 
ATOM   1485 C  CB  . TYR A 1 206 ? 5.029   -21.108 -17.878 1.000 12.078 0 206 TYR A CB  1 ? 
ATOM   1486 C  CG  . TYR A 1 206 ? 3.515   -21.180 -18.034 1.000 12.194 0 206 TYR A CG  1 ? 
ATOM   1487 C  CD1 . TYR A 1 206 ? 2.667   -21.206 -16.925 1.000 12.800 0 206 TYR A CD1 1 ? 
ATOM   1488 C  CD2 . TYR A 1 206 ? 2.920   -21.077 -19.282 1.000 13.303 0 206 TYR A CD2 1 ? 
ATOM   1489 C  CE1 . TYR A 1 206 ? 1.292   -21.232 -17.045 1.000 13.002 0 206 TYR A CE1 1 ? 
ATOM   1490 C  CE2 . TYR A 1 206 ? 1.539   -21.042 -19.419 1.000 12.762 0 206 TYR A CE2 1 ? 
ATOM   1491 C  CZ  . TYR A 1 206 ? 0.717   -21.128 -18.304 1.000 13.149 0 206 TYR A CZ  1 ? 
ATOM   1492 O  OH  . TYR A 1 206 ? -0.642  -21.100 -18.441 1.000 12.974 0 206 TYR A OH  1 ? 
ATOM   1493 N  N   . THR A 1 207 ? 7.463   -19.574 -16.285 1.000 11.946 0 207 THR A N   1 ? 
ATOM   1494 C  CA  . THR A 1 207 ? 8.851   -19.704 -15.929 1.000 11.647 0 207 THR A CA  1 ? 
ATOM   1495 C  C   . THR A 1 207 ? 9.311   -21.132 -16.218 1.000 10.476 0 207 THR A C   1 ? 
ATOM   1496 O  O   . THR A 1 207 ? 8.638   -22.067 -15.817 1.000 10.315 0 207 THR A O   1 ? 
ATOM   1497 C  CB  . THR A 1 207 ? 9.061   -19.343 -14.451 1.000 11.045 0 207 THR A CB  1 ? 
ATOM   1498 O  OG1 . THR A 1 207 ? 8.482   -18.056 -14.290 1.000 12.078 0 207 THR A OG1 1 ? 
ATOM   1499 C  CG2 . THR A 1 207 ? 10.537  -19.259 -14.155 1.000 11.869 0 207 THR A CG2 1 ? 
ATOM   1500 N  N   . LYS A 1 208 ? 10.441  -21.277 -16.917 1.000 10.609 0 208 LYS A N   1 ? 
ATOM   1501 C  CA  . LYS A 1 208 ? 10.995  -22.569 -17.284 1.000 11.481 0 208 LYS A CA  1 ? 
ATOM   1502 C  C   . LYS A 1 208 ? 11.837  -23.167 -16.154 1.000 11.126 0 208 LYS A C   1 ? 
ATOM   1503 O  O   . LYS A 1 208 ? 13.029  -22.891 -16.042 1.000 11.238 0 208 LYS A O   1 ? 
ATOM   1504 C  CB  . LYS A 1 208 ? 11.826  -22.365 -18.544 1.000 13.055 0 208 LYS A CB  1 ? 
ATOM   1505 C  CG  . LYS A 1 208 ? 12.182  -23.636 -19.241 1.000 17.127 0 208 LYS A CG  1 ? 
ATOM   1506 C  CD  . LYS A 1 208 ? 12.814  -23.332 -20.595 1.000 21.314 0 208 LYS A CD  1 ? 
ATOM   1507 C  CE  . LYS A 1 208 ? 13.315  -24.585 -21.225 1.000 26.853 0 208 LYS A CE  1 ? 
ATOM   1508 N  NZ  . LYS A 1 208 ? 13.737  -24.319 -22.603 1.000 29.694 0 208 LYS A NZ  1 ? 
ATOM   1509 N  N   . VAL A 1 209 ? 11.215  -24.017 -15.335 1.000 11.188 0 209 VAL A N   1 ? 
ATOM   1510 C  CA  . VAL A 1 209 ? 11.819  -24.462 -14.074 1.000 12.064 0 209 VAL A CA  1 ? 
ATOM   1511 C  C   . VAL A 1 209 ? 13.103  -25.273 -14.297 1.000 13.363 0 209 VAL A C   1 ? 
ATOM   1512 O  O   . VAL A 1 209 ? 14.017  -25.263 -13.452 1.000 11.384 0 209 VAL A O   1 ? 
ATOM   1513 C  CB  . VAL A 1 209 ? 10.792  -25.262 -13.259 1.000 13.494 0 209 VAL A CB  1 ? 
ATOM   1514 C  CG1 . VAL A 1 209 ? 11.452  -25.892 -12.035 1.000 14.323 0 209 VAL A CG1 1 ? 
ATOM   1515 C  CG2 . VAL A 1 209 ? 9.601   -24.409 -12.846 1.000 13.686 0 209 VAL A CG2 1 ? 
ATOM   1516 N  N   . CYS A 1 210 ? 13.216  -25.959 -15.442 1.000 14.873 0 210 CYS A N   1 ? 
ATOM   1517 C  CA  . CYS A 1 210 ? 14.348  -26.860 -15.631 1.000 15.462 0 210 CYS A CA  1 ? 
ATOM   1518 C  C   . CYS A 1 210 ? 15.637  -26.057 -15.686 1.000 16.395 0 210 CYS A C   1 ? 
ATOM   1519 O  O   . CYS A 1 210 ? 16.673  -26.597 -15.386 1.000 18.202 0 210 CYS A O   1 ? 
ATOM   1520 C  CB  . CYS A 1 210 ? 14.221  -27.710 -16.889 1.000 16.367 0 210 CYS A CB  1 ? 
ATOM   1521 S  SG  . CYS A 1 210 ? 14.053  -26.715 -18.390 1.000 15.345 0 210 CYS A SG  1 ? 
ATOM   1522 N  N   . ASN A 1 211 ? 15.565  -24.753 -15.990 1.000 14.589 0 211 ASN A N   1 ? 
ATOM   1523 C  CA  . ASN A 1 211 ? 16.738  -23.889 -15.998 1.000 14.465 0 211 ASN A CA  1 ? 
ATOM   1524 C  C   . ASN A 1 211 ? 17.246  -23.598 -14.586 1.000 13.401 0 211 ASN A C   1 ? 
ATOM   1525 O  O   . ASN A 1 211 ? 18.358  -23.108 -14.429 1.000 16.218 0 211 ASN A O   1 ? 
ATOM   1526 C  CB  . ASN A 1 211 ? 16.447  -22.591 -16.748 1.000 14.409 0 211 ASN A CB  1 ? 
ATOM   1527 C  CG  . ASN A 1 211 ? 16.304  -22.818 -18.239 1.000 17.316 0 211 ASN A CG  1 ? 
ATOM   1528 O  OD1 . ASN A 1 211 ? 16.405  -23.960 -18.735 1.000 17.195 0 211 ASN A OD1 1 ? 
ATOM   1529 N  ND2 . ASN A 1 211 ? 16.062  -21.734 -18.955 1.000 18.065 0 211 ASN A ND2 1 ? 
ATOM   1530 N  N   . TYR A 1 212 ? 16.438  -23.881 -13.541 1.000 12.000 0 212 TYR A N   1 ? 
ATOM   1531 C  CA  . TYR A 1 212 ? 16.742  -23.383 -12.210 1.000 13.424 0 212 TYR A CA  1 ? 
ATOM   1532 C  C   . TYR A 1 212 ? 16.985  -24.484 -11.186 1.000 14.335 0 212 TYR A C   1 ? 
ATOM   1533 O  O   . TYR A 1 212 ? 17.137  -24.172 -10.011 1.000 14.607 0 212 TYR A O   1 ? 
ATOM   1534 C  CB  . TYR A 1 212 ? 15.554  -22.542 -11.705 1.000 13.274 0 212 TYR A CB  1 ? 
ATOM   1535 C  CG  . TYR A 1 212 ? 15.319  -21.299 -12.537 1.000 11.302 0 212 TYR A CG  1 ? 
ATOM   1536 C  CD1 . TYR A 1 212 ? 16.085  -20.149 -12.380 1.000 12.526 0 212 TYR A CD1 1 ? 
ATOM   1537 C  CD2 . TYR A 1 212 ? 14.362  -21.291 -13.532 1.000 10.750 0 212 TYR A CD2 1 ? 
ATOM   1538 C  CE1 . TYR A 1 212 ? 15.918  -19.041 -13.189 1.000 11.716 0 212 TYR A CE1 1 ? 
ATOM   1539 C  CE2 . TYR A 1 212 ? 14.205  -20.205 -14.368 1.000 10.684 0 212 TYR A CE2 1 ? 
ATOM   1540 C  CZ  . TYR A 1 212 ? 14.956  -19.070 -14.182 1.000 11.676 0 212 TYR A CZ  1 ? 
ATOM   1541 O  OH  . TYR A 1 212 ? 14.777  -17.964 -14.965 1.000 13.414 0 212 TYR A OH  1 ? 
ATOM   1542 N  N   . VAL A 1 213 ? 17.076  -25.744 -11.624 1.000 14.390 0 213 VAL A N   1 ? 
ATOM   1543 C  CA  . VAL A 1 213 ? 17.176  -26.854 -10.702 1.000 16.335 0 213 VAL A CA  1 ? 
ATOM   1544 C  C   . VAL A 1 213 ? 18.442  -26.746 -9.846  1.000 14.669 0 213 VAL A C   1 ? 
ATOM   1545 O  O   . VAL A 1 213 ? 18.358  -27.023 -8.659  1.000 16.051 0 213 VAL A O   1 ? 
ATOM   1546 C  CB  . VAL A 1 213 ? 17.083  -28.197 -11.437 1.000 18.235 0 213 VAL A CB  1 ? 
ATOM   1547 C  CG1 . VAL A 1 213 ? 17.404  -29.359 -10.508 1.000 20.228 0 213 VAL A CG1 1 ? 
ATOM   1548 C  CG2 . VAL A 1 213 ? 15.725  -28.382 -12.099 1.000 20.147 0 213 VAL A CG2 1 ? 
ATOM   1549 N  N   . SER A 1 214 ? 19.587  -26.383 -10.447 1.000 13.827 0 214 SER A N   1 ? 
ATOM   1550 C  CA  . SER A 1 214 ? 20.835  -26.203 -9.720  1.000 16.177 0 214 SER A CA  1 ? 
ATOM   1551 C  C   . SER A 1 214 ? 20.715  -25.181 -8.610  1.000 15.513 0 214 SER A C   1 ? 
ATOM   1552 O  O   . SER A 1 214 ? 21.186  -25.425 -7.493  1.000 17.638 0 214 SER A O   1 ? 
ATOM   1553 C  CB  . SER A 1 214 ? 21.955  -25.801 -10.634 1.000 17.957 0 214 SER A CB  1 ? 
ATOM   1554 O  OG  . SER A 1 214 ? 22.373  -26.971 -11.323 1.000 23.678 0 214 SER A OG  1 ? 
ATOM   1555 N  N   . TRP A 1 215 ? 20.132  -24.025 -8.954  1.000 13.576 0 215 TRP A N   1 ? 
ATOM   1556 C  CA  . TRP A 1 215 ? 19.935  -22.945 -7.985  1.000 14.958 0 215 TRP A CA  1 ? 
ATOM   1557 C  C   . TRP A 1 215 ? 18.996  -23.396 -6.865  1.000 12.902 0 215 TRP A C   1 ? 
ATOM   1558 O  O   . TRP A 1 215 ? 19.280  -23.154 -5.691  1.000 13.531 0 215 TRP A O   1 ? 
ATOM   1559 C  CB  . TRP A 1 215 ? 19.439  -21.668 -8.682  1.000 14.423 0 215 TRP A CB  1 ? 
ATOM   1560 C  CG  . TRP A 1 215 ? 18.980  -20.605 -7.714  1.000 13.801 0 215 TRP A CG  1 ? 
ATOM   1561 C  CD1 . TRP A 1 215 ? 19.818  -19.859 -6.948  1.000 14.476 0 215 TRP A CD1 1 ? 
ATOM   1562 C  CD2 . TRP A 1 215 ? 17.635  -20.185 -7.376  1.000 14.843 0 215 TRP A CD2 1 ? 
ATOM   1563 N  NE1 . TRP A 1 215 ? 19.098  -18.989 -6.174  1.000 15.494 0 215 TRP A NE1 1 ? 
ATOM   1564 C  CE2 . TRP A 1 215 ? 17.765  -19.155 -6.413  1.000 14.642 0 215 TRP A CE2 1 ? 
ATOM   1565 C  CE3 . TRP A 1 215 ? 16.344  -20.557 -7.794  1.000 15.741 0 215 TRP A CE3 1 ? 
ATOM   1566 C  CZ2 . TRP A 1 215 ? 16.667  -18.504 -5.849  1.000 14.926 0 215 TRP A CZ2 1 ? 
ATOM   1567 C  CZ3 . TRP A 1 215 ? 15.251  -19.933 -7.222  1.000 15.852 0 215 TRP A CZ3 1 ? 
ATOM   1568 C  CH2 . TRP A 1 215 ? 15.416  -18.876 -6.301  1.000 16.253 0 215 TRP A CH2 1 ? 
ATOM   1569 N  N   . ILE A 1 216 ? 17.918  -24.091 -7.216  1.000 11.447 0 216 ILE A N   1 ? 
ATOM   1570 C  CA  . ILE A 1 216 ? 16.949  -24.533 -6.222  1.000 12.562 0 216 ILE A CA  1 ? 
ATOM   1571 C  C   . ILE A 1 216 ? 17.636  -25.497 -5.252  1.000 14.109 0 216 ILE A C   1 ? 
ATOM   1572 O  O   . ILE A 1 216 ? 17.493  -25.365 -4.042  1.000 14.529 0 216 ILE A O   1 ? 
ATOM   1573 C  CB  . ILE A 1 216 ? 15.710  -25.188 -6.853  1.000 13.705 0 216 ILE A CB  1 ? 
ATOM   1574 C  CG1 . ILE A 1 216 ? 14.867  -24.164 -7.591  1.000 12.631 0 216 ILE A CG1 1 ? 
ATOM   1575 C  CG2 . ILE A 1 216 ? 14.868  -25.934 -5.794  1.000 14.412 0 216 ILE A CG2 1 ? 
ATOM   1576 C  CD1 . ILE A 1 216 ? 13.802  -24.776 -8.491  1.000 13.318 0 216 ILE A CD1 1 ? 
ATOM   1577 N  N   . LYS A 1 217 ? 18.368  -26.468 -5.794  1.000 14.437 0 217 LYS A N   1 ? 
ATOM   1578 C  CA  . LYS A 1 217 ? 18.969  -27.523 -4.984  1.000 17.030 0 217 LYS A CA  1 ? 
ATOM   1579 C  C   . LYS A 1 217 ? 20.087  -26.981 -4.088  1.000 18.266 0 217 LYS A C   1 ? 
ATOM   1580 O  O   . LYS A 1 217 ? 20.183  -27.346 -2.907  1.000 16.946 0 217 LYS A O   1 ? 
ATOM   1581 C  CB  . LYS A 1 217 ? 19.479  -28.657 -5.879  1.000 20.721 0 217 LYS A CB  1 ? 
ATOM   1582 C  CG  . LYS A 1 217 ? 18.412  -29.539 -6.457  1.000 26.027 0 217 LYS A CG  1 ? 
ATOM   1583 C  CD  . LYS A 1 217 ? 19.063  -30.712 -7.196  1.000 35.331 0 217 LYS A CD  1 ? 
ATOM   1584 C  CE  . LYS A 1 217 ? 18.103  -31.707 -7.790  1.000 43.250 0 217 LYS A CE  1 ? 
ATOM   1585 N  NZ  . LYS A 1 217 ? 17.065  -32.093 -6.828  1.000 48.647 0 217 LYS A NZ  1 ? 
ATOM   1586 N  N   . GLN A 1 218 ? 20.932  -26.094 -4.622  1.000 18.210 0 218 GLN A N   1 ? 
ATOM   1587 C  CA  . GLN A 1 218 ? 22.004  -25.520 -3.823  1.000 19.368 0 218 GLN A CA  1 ? 
ATOM   1588 C  C   . GLN A 1 218 ? 21.412  -24.602 -2.743  1.000 19.213 0 218 GLN A C   1 ? 
ATOM   1589 O  O   . GLN A 1 218 ? 21.885  -24.568 -1.608  1.000 19.428 0 218 GLN A O   1 ? 
ATOM   1590 C  CB  . GLN A 1 218 ? 23.042  -24.810 -4.694  1.000 25.794 0 218 GLN A CB  1 ? 
ATOM   1591 C  CG  . GLN A 1 218 ? 22.709  -23.366 -5.049  1.000 35.239 0 218 GLN A CG  1 ? 
ATOM   1592 C  CD  . GLN A 1 218 ? 23.783  -22.369 -4.652  1.000 46.886 0 218 GLN A CD  1 ? 
ATOM   1593 O  OE1 . GLN A 1 218 ? 24.363  -22.445 -3.557  1.000 57.981 0 218 GLN A OE1 1 ? 
ATOM   1594 N  NE2 . GLN A 1 218 ? 24.037  -21.398 -5.524  1.000 45.228 0 218 GLN A NE2 1 ? 
ATOM   1595 N  N   . THR A 1 219 ? 20.373  -23.837 -3.092  1.000 16.089 0 219 THR A N   1 ? 
ATOM   1596 C  CA  . THR A 1 219 ? 19.765  -22.904 -2.156  1.000 15.293 0 219 THR A CA  1 ? 
ATOM   1597 C  C   . THR A 1 219 ? 19.137  -23.634 -0.968  1.000 16.303 0 219 THR A C   1 ? 
ATOM   1598 O  O   . THR A 1 219 ? 19.402  -23.278 0.190   1.000 16.843 0 219 THR A O   1 ? 
ATOM   1599 C  CB  . THR A 1 219 ? 18.759  -21.984 -2.853  1.000 14.354 0 219 THR A CB  1 ? 
ATOM   1600 O  OG1 . THR A 1 219 ? 19.393  -21.130 -3.803  1.000 12.209 0 219 THR A OG1 1 ? 
ATOM   1601 C  CG2 . THR A 1 219 ? 18.067  -21.100 -1.843  1.000 14.807 0 219 THR A CG2 1 ? 
ATOM   1602 N  N   . ILE A 1 220 ? 18.392  -24.709 -1.244  1.000 14.880 0 220 ILE A N   1 ? 
ATOM   1603 C  CA  . ILE A 1 220 ? 17.774  -25.519 -0.213  1.000 17.224 0 220 ILE A CA  1 ? 
ATOM   1604 C  C   . ILE A 1 220 ? 18.837  -26.131 0.696   1.000 17.300 0 220 ILE A C   1 ? 
ATOM   1605 O  O   . ILE A 1 220 ? 18.685  -26.144 1.909   1.000 18.488 0 220 ILE A O   1 ? 
ATOM   1606 C  CB  . ILE A 1 220 ? 16.866  -26.583 -0.851  1.000 18.658 0 220 ILE A CB  1 ? 
ATOM   1607 C  CG1 . ILE A 1 220 ? 15.664  -25.894 -1.492  1.000 19.571 0 220 ILE A CG1 1 ? 
ATOM   1608 C  CG2 . ILE A 1 220 ? 16.439  -27.654 0.164   1.000 20.570 0 220 ILE A CG2 1 ? 
ATOM   1609 C  CD1 . ILE A 1 220 ? 14.705  -26.844 -2.207  1.000 22.207 0 220 ILE A CD1 1 ? 
ATOM   1610 N  N   . ALA A 1 221 ? 19.912  -26.643 0.100   1.000 18.511 0 221 ALA A N   1 ? 
ATOM   1611 C  CA  . ALA A 1 221 ? 20.939  -27.342 0.848   1.000 17.192 0 221 ALA A CA  1 ? 
ATOM   1612 C  C   . ALA A 1 221 ? 21.644  -26.407 1.831   1.000 19.395 0 221 ALA A C   1 ? 
ATOM   1613 O  O   . ALA A 1 221 ? 22.203  -26.884 2.809   1.000 21.739 0 221 ALA A O   1 ? 
ATOM   1614 C  CB  . ALA A 1 221 ? 21.911  -27.937 -0.133  1.000 17.611 0 221 ALA A CB  1 ? 
ATOM   1615 N  N   . SER A 1 222 ? 21.676  -25.101 1.548   1.000 19.313 0 222 SER A N   1 ? 
ATOM   1616 C  CA  . SER A 1 222 ? 22.450  -24.145 2.327   1.000 21.360 0 222 SER A CA  1 ? 
ATOM   1617 C  C   . SER A 1 222 ? 21.588  -23.336 3.289   1.000 21.448 0 222 SER A C   1 ? 
ATOM   1618 O  O   . SER A 1 222 ? 22.127  -22.484 3.994   1.000 23.629 0 222 SER A O   1 ? 
ATOM   1619 C  CB  . SER A 1 222 ? 23.177  -23.176 1.444   1.000 25.747 0 222 SER A CB  1 ? 
ATOM   1620 O  OG  . SER A 1 222 ? 23.828  -23.848 0.370   1.000 28.148 0 222 SER A OG  1 ? 
ATOM   1621 N  N   . ASN A 1 223 ? 20.262  -23.534 3.293   1.000 16.811 0 223 ASN A N   1 ? 
ATOM   1622 C  CA  . ASN A 1 223 ? 19.386  -22.628 4.025   1.000 15.379 0 223 ASN A CA  1 ? 
ATOM   1623 C  C   . ASN A 1 223 ? 18.418  -23.442 4.889   1.000 17.564 0 223 ASN A C   1 ? 
ATOM   1624 O  O   . ASN A 1 223 ? 17.520  -22.806 5.477   1.000 20.313 0 223 ASN A O   1 ? 
ATOM   1625 C  CB  . ASN A 1 223 ? 18.598  -21.723 3.099   1.000 15.116 0 223 ASN A CB  1 ? 
ATOM   1626 C  CG  . ASN A 1 223 ? 19.409  -20.569 2.583   1.000 14.171 0 223 ASN A CG  1 ? 
ATOM   1627 O  OD1 . ASN A 1 223 ? 19.526  -19.530 3.228   1.000 17.958 0 223 ASN A OD1 1 ? 
ATOM   1628 N  ND2 . ASN A 1 223 ? 19.965  -20.724 1.403   1.000 13.651 0 223 ASN A ND2 1 ? 
ATOM   1629 O  OXT . ASN A 1 223 ? 18.625  -24.657 4.991   1.000 22.269 0 223 ASN A OXT 1 ? 
HETATM 1630 CA CA  . CA  B 2 .   ? -10.178 -24.956 3.068   1.000 13.211 0 301 CA  A CA  1 ? 
HETATM 1631 C  C1  . BEN C 3 .   ? -1.851  -14.937 -17.117 1.000 12.967 0 302 BEN A C1  1 ? 
HETATM 1632 C  C2  . BEN C 3 .   ? -1.279  -15.570 -16.025 1.000 14.296 0 302 BEN A C2  1 ? 
HETATM 1633 C  C3  . BEN C 3 .   ? -0.974  -14.878 -14.868 1.000 15.501 0 302 BEN A C3  1 ? 
HETATM 1634 C  C4  . BEN C 3 .   ? -1.256  -13.540 -14.775 1.000 16.158 0 302 BEN A C4  1 ? 
HETATM 1635 C  C5  . BEN C 3 .   ? -1.779  -12.880 -15.865 1.000 17.271 0 302 BEN A C5  1 ? 
HETATM 1636 C  C6  . BEN C 3 .   ? -2.060  -13.566 -17.038 1.000 15.150 0 302 BEN A C6  1 ? 
HETATM 1637 C  C   . BEN C 3 .   ? -2.122  -15.691 -18.364 1.000 12.204 0 302 BEN A C   1 ? 
HETATM 1638 N  N1  . BEN C 3 .   ? -1.787  -16.945 -18.544 1.000 11.469 0 302 BEN A N1  1 ? 
HETATM 1639 N  N2  . BEN C 3 .   ? -2.827  -15.083 -19.316 1.000 11.860 0 302 BEN A N2  1 ? 
HETATM 1640 O  O   . HOH D 4 .   ? 15.373  -33.216 -7.782  1.000 36.599 0 401 HOH A O   1 ? 
HETATM 1641 O  O   . HOH D 4 .   ? -10.278 -27.059 1.909   1.000 11.464 0 402 HOH A O   1 ? 
HETATM 1642 O  O   . HOH D 4 .   ? 10.667  -32.202 -5.411  1.000 26.022 0 403 HOH A O   1 ? 
HETATM 1643 O  O   . HOH D 4 .   ? 4.956   -24.345 -34.108 1.000 49.767 0 404 HOH A O   1 ? 
HETATM 1644 O  O   . HOH D 4 .   ? 14.972  -21.921 -23.202 1.000 37.849 0 405 HOH A O   1 ? 
HETATM 1645 O  O   . HOH D 4 .   ? -17.675 -17.297 -3.144  1.000 42.778 0 406 HOH A O   1 ? 
HETATM 1646 O  O   . HOH D 4 .   ? -1.880  -21.218 -20.649 1.000 14.996 0 407 HOH A O   1 ? 
HETATM 1647 O  O   . HOH D 4 .   ? 0.851   -8.698  -26.232 1.000 31.140 0 408 HOH A O   1 ? 
HETATM 1648 O  O   . HOH D 4 .   ? -14.493 -28.673 -1.550  1.000 21.312 0 409 HOH A O   1 ? 
HETATM 1649 O  O   . HOH D 4 .   ? 11.029  -26.526 -17.311 1.000 14.260 0 410 HOH A O   1 ? 
HETATM 1650 O  O   . HOH D 4 .   ? 18.793  -27.340 4.182   1.000 13.643 0 411 HOH A O   1 ? 
HETATM 1651 O  O   . HOH D 4 .   ? -4.238  -31.017 -1.385  1.000 18.008 0 412 HOH A O   1 ? 
HETATM 1652 O  O   . HOH D 4 .   ? -3.990  -17.833 -26.710 1.000 36.311 0 413 HOH A O   1 ? 
HETATM 1653 O  O   . HOH D 4 .   ? 4.492   -28.305 10.942  1.000 34.641 0 414 HOH A O   1 ? 
HETATM 1654 O  O   . HOH D 4 .   ? -9.287  -20.791 -11.118 1.000 14.480 0 415 HOH A O   1 ? 
HETATM 1655 O  O   . HOH D 4 .   ? 13.207  -35.785 -11.475 1.000 36.817 0 416 HOH A O   1 ? 
HETATM 1656 O  O   . HOH D 4 .   ? 4.031   -17.822 12.739  1.000 40.410 0 417 HOH A O   1 ? 
HETATM 1657 O  O   . HOH D 4 .   ? -14.021 -20.269 -17.281 1.000 19.979 0 418 HOH A O   1 ? 
HETATM 1658 O  O   . HOH D 4 .   ? 17.773  -20.328 6.709   1.000 36.713 0 419 HOH A O   1 ? 
HETATM 1659 O  O   . HOH D 4 .   ? 9.916   -10.025 -21.253 1.000 28.575 0 420 HOH A O   1 ? 
HETATM 1660 O  O   . HOH D 4 .   ? -8.580  -10.709 -20.694 1.000 23.001 0 421 HOH A O   1 ? 
HETATM 1661 O  O   . HOH D 4 .   ? 6.790   -5.773  -19.116 1.000 35.315 0 422 HOH A O   1 ? 
HETATM 1662 O  O   . HOH D 4 .   ? 6.101   -8.821  -5.429  1.000 34.888 0 423 HOH A O   1 ? 
HETATM 1663 O  O   . HOH D 4 .   ? 8.148   -33.570 -17.664 1.000 20.716 0 424 HOH A O   1 ? 
HETATM 1664 O  O   . HOH D 4 .   ? 7.954   -13.473 2.645   1.000 36.213 0 425 HOH A O   1 ? 
HETATM 1665 O  O   . HOH D 4 .   ? 16.751  -24.418 -21.315 1.000 32.621 0 426 HOH A O   1 ? 
HETATM 1666 O  O   . HOH D 4 .   ? -10.927 -27.557 -19.654 1.000 30.393 0 427 HOH A O   1 ? 
HETATM 1667 O  O   . HOH D 4 .   ? 4.835   -23.369 -8.608  1.000 12.536 0 428 HOH A O   1 ? 
HETATM 1668 O  O   . HOH D 4 .   ? 12.309  -23.036 11.772  1.000 33.281 0 429 HOH A O   1 ? 
HETATM 1669 O  O   . HOH D 4 .   ? -17.496 -28.194 -11.320 1.000 50.932 0 430 HOH A O   1 ? 
HETATM 1670 O  O   . HOH D 4 .   ? -0.284  -38.009 -3.148  1.000 34.496 0 431 HOH A O   1 ? 
HETATM 1671 O  O   . HOH D 4 .   ? -5.692  -11.714 -4.159  1.000 29.456 0 432 HOH A O   1 ? 
HETATM 1672 O  O   . HOH D 4 .   ? -6.682  -24.112 -32.768 1.000 55.498 0 433 HOH A O   1 ? 
HETATM 1673 O  O   . HOH D 4 .   ? -10.392 -16.917 2.920   1.000 28.261 0 434 HOH A O   1 ? 
HETATM 1674 O  O   . HOH D 4 .   ? -3.813  -36.574 -4.101  1.000 29.478 0 435 HOH A O   1 ? 
HETATM 1675 O  O   . HOH D 4 .   ? -1.759  -12.911 -10.497 1.000 31.108 0 436 HOH A O   1 ? 
HETATM 1676 O  O   . HOH D 4 .   ? 12.996  -32.780 -23.823 1.000 27.053 0 437 HOH A O   1 ? 
HETATM 1677 O  O   . HOH D 4 .   ? -15.925 -18.382 -10.448 1.000 35.251 0 438 HOH A O   1 ? 
HETATM 1678 O  O   . HOH D 4 .   ? -9.964  -17.357 -5.613  1.000 25.964 0 439 HOH A O   1 ? 
HETATM 1679 O  O   . HOH D 4 .   ? 5.472   -36.793 -3.538  1.000 39.079 0 440 HOH A O   1 ? 
HETATM 1680 O  O   . HOH D 4 .   ? 9.110   -2.970  -12.293 1.000 26.416 0 441 HOH A O   1 ? 
HETATM 1681 O  O   . HOH D 4 .   ? -16.129 -21.029 6.202   1.000 21.118 0 442 HOH A O   1 ? 
HETATM 1682 O  O   . HOH D 4 .   ? 6.491   -35.858 -8.451  1.000 33.876 0 443 HOH A O   1 ? 
HETATM 1683 O  O   . HOH D 4 .   ? -2.034  -21.565 -9.006  1.000 11.266 0 444 HOH A O   1 ? 
HETATM 1684 O  O   . HOH D 4 .   ? 7.704   -7.748  -8.954  1.000 17.938 0 445 HOH A O   1 ? 
HETATM 1685 O  O   . HOH D 4 .   ? -2.257  -8.942  -18.705 1.000 31.613 0 446 HOH A O   1 ? 
HETATM 1686 O  O   . HOH D 4 .   ? -0.690  -28.739 -11.505 1.000 14.708 0 447 HOH A O   1 ? 
HETATM 1687 O  O   . HOH D 4 .   ? 3.170   -37.697 0.532   1.000 30.170 0 448 HOH A O   1 ? 
HETATM 1688 O  O   . HOH D 4 .   ? 1.370   -20.132 10.831  1.000 52.037 0 449 HOH A O   1 ? 
HETATM 1689 O  O   . HOH D 4 .   ? 2.539   -27.735 -29.197 1.000 25.550 0 450 HOH A O   1 ? 
HETATM 1690 O  O   . HOH D 4 .   ? 9.918   -26.174 -22.350 1.000 38.538 0 451 HOH A O   1 ? 
HETATM 1691 O  O   . HOH D 4 .   ? 7.518   -33.155 -26.445 1.000 19.975 0 452 HOH A O   1 ? 
HETATM 1692 O  O   . HOH D 4 .   ? -3.837  -20.307 -23.799 1.000 14.405 0 453 HOH A O   1 ? 
HETATM 1693 O  O   . HOH D 4 .   ? -3.295  -26.039 -0.698  1.000 15.125 0 454 HOH A O   1 ? 
HETATM 1694 O  O   . HOH D 4 .   ? -8.977  -29.443 3.256   1.000 15.564 0 455 HOH A O   1 ? 
HETATM 1695 O  O   . HOH D 4 .   ? 6.569   -14.066 5.122   1.000 35.046 0 456 HOH A O   1 ? 
HETATM 1696 O  O   . HOH D 4 .   ? 12.591  -19.225 -25.023 1.000 38.999 0 457 HOH A O   1 ? 
HETATM 1697 O  O   . HOH D 4 .   ? 3.630   -25.133 -31.121 1.000 30.070 0 458 HOH A O   1 ? 
HETATM 1698 O  O   . HOH D 4 .   ? -5.711  -18.827 1.186   1.000 13.324 0 459 HOH A O   1 ? 
HETATM 1699 O  O   . HOH D 4 .   ? -13.816 -29.338 -5.578  1.000 16.679 0 460 HOH A O   1 ? 
HETATM 1700 O  O   . HOH D 4 .   ? -11.411 -28.722 -6.859  1.000 14.147 0 461 HOH A O   1 ? 
HETATM 1701 O  O   . HOH D 4 .   ? -7.975  -29.289 -3.801  1.000 14.656 0 462 HOH A O   1 ? 
HETATM 1702 O  O   . HOH D 4 .   ? 15.492  -9.077  -18.664 1.000 26.056 0 463 HOH A O   1 ? 
HETATM 1703 O  O   . HOH D 4 .   ? -11.468 -35.933 -3.772  1.000 33.557 0 464 HOH A O   1 ? 
HETATM 1704 O  O   . HOH D 4 .   ? -3.841  -19.972 -7.361  1.000 13.381 0 465 HOH A O   1 ? 
HETATM 1705 O  O   . HOH D 4 .   ? -7.463  -20.396 2.738   1.000 11.811 0 466 HOH A O   1 ? 
HETATM 1706 O  O   . HOH D 4 .   ? 1.732   -34.940 -18.548 1.000 28.730 0 467 HOH A O   1 ? 
HETATM 1707 O  O   . HOH D 4 .   ? -2.423  -25.713 -28.384 1.000 26.406 0 468 HOH A O   1 ? 
HETATM 1708 O  O   . HOH D 4 .   ? 23.073  -29.534 3.052   1.000 29.856 0 469 HOH A O   1 ? 
HETATM 1709 O  O   . HOH D 4 .   ? -14.496 -16.180 -4.195  1.000 18.235 0 470 HOH A O   1 ? 
HETATM 1710 O  O   . HOH D 4 .   ? -14.527 -23.739 -17.729 1.000 37.075 0 471 HOH A O   1 ? 
HETATM 1711 O  O   . HOH D 4 .   ? -5.597  -30.444 -4.701  1.000 14.271 0 472 HOH A O   1 ? 
HETATM 1712 O  O   . HOH D 4 .   ? 19.095  -29.816 -2.076  1.000 34.351 0 473 HOH A O   1 ? 
HETATM 1713 O  O   . HOH D 4 .   ? -4.563  -14.087 -23.030 1.000 15.392 0 474 HOH A O   1 ? 
HETATM 1714 O  O   . HOH D 4 .   ? 8.407   -9.036  -6.495  1.000 22.593 0 475 HOH A O   1 ? 
HETATM 1715 O  O   . HOH D 4 .   ? 1.895   -11.338 -14.224 1.000 26.280 0 476 HOH A O   1 ? 
HETATM 1716 O  O   . HOH D 4 .   ? -1.177  -29.000 -0.697  1.000 16.522 0 477 HOH A O   1 ? 
HETATM 1717 O  O   . HOH D 4 .   ? 8.838   -15.438 -16.660 1.000 18.324 0 478 HOH A O   1 ? 
HETATM 1718 O  O   . HOH D 4 .   ? -6.738  -11.367 -29.130 1.000 45.113 0 479 HOH A O   1 ? 
HETATM 1719 O  O   . HOH D 4 .   ? 7.247   -21.993 -25.724 1.000 12.816 0 480 HOH A O   1 ? 
HETATM 1720 O  O   . HOH D 4 .   ? -2.963  -23.718 -30.224 1.000 30.338 0 481 HOH A O   1 ? 
HETATM 1721 O  O   . HOH D 4 .   ? -14.202 -32.396 -4.647  1.000 26.900 0 482 HOH A O   1 ? 
HETATM 1722 O  O   . HOH D 4 .   ? 22.596  -21.182 6.511   1.000 46.887 0 483 HOH A O   1 ? 
HETATM 1723 O  O   . HOH D 4 .   ? 13.630  -6.632  -10.451 1.000 16.906 0 484 HOH A O   1 ? 
HETATM 1724 O  O   . HOH D 4 .   ? -4.355  -28.493 -2.747  1.000 14.232 0 485 HOH A O   1 ? 
HETATM 1725 O  O   . HOH D 4 .   ? -8.433  -13.307 -2.495  1.000 30.768 0 486 HOH A O   1 ? 
HETATM 1726 O  O   . HOH D 4 .   ? 0.937   -17.836 -17.284 1.000 19.944 0 487 HOH A O   1 ? 
HETATM 1727 O  O   . HOH D 4 .   ? -4.682  -17.657 -24.162 1.000 22.082 0 488 HOH A O   1 ? 
HETATM 1728 O  O   . HOH D 4 .   ? -8.896  -15.647 0.032   1.000 23.706 0 489 HOH A O   1 ? 
HETATM 1729 O  O   . HOH D 4 .   ? -7.498  -13.692 -4.842  1.000 47.198 0 490 HOH A O   1 ? 
HETATM 1730 O  O   . HOH D 4 .   ? 15.386  -26.479 -23.581 1.000 36.083 0 491 HOH A O   1 ? 
HETATM 1731 O  O   . HOH D 4 .   ? -9.534  -23.072 4.288   1.000 13.554 0 492 HOH A O   1 ? 
HETATM 1732 O  O   . HOH D 4 .   ? 10.080  -12.980 -27.993 1.000 22.954 0 493 HOH A O   1 ? 
HETATM 1733 O  O   . HOH D 4 .   ? -9.640  -13.190 -28.288 1.000 26.313 0 494 HOH A O   1 ? 
HETATM 1734 O  O   . HOH D 4 .   ? 17.439  -8.879  -8.931  1.000 26.962 0 495 HOH A O   1 ? 
HETATM 1735 O  O   . HOH D 4 .   ? 3.594   -21.370 11.474  1.000 21.978 0 496 HOH A O   1 ? 
HETATM 1736 O  O   . HOH D 4 .   ? 12.789  -33.624 -6.990  1.000 30.271 0 497 HOH A O   1 ? 
HETATM 1737 O  O   . HOH D 4 .   ? -12.100 -22.732 -15.168 1.000 19.113 0 498 HOH A O   1 ? 
HETATM 1738 O  O   . HOH D 4 .   ? -8.612  -29.314 -19.400 1.000 13.787 0 499 HOH A O   1 ? 
HETATM 1739 O  O   . HOH D 4 .   ? -14.863 -22.971 7.887   1.000 16.416 0 500 HOH A O   1 ? 
HETATM 1740 O  O   . HOH D 4 .   ? 9.177   -35.011 -4.559  1.000 54.489 0 501 HOH A O   1 ? 
HETATM 1741 O  O   . HOH D 4 .   ? 16.464  -14.070 1.838   1.000 31.686 0 502 HOH A O   1 ? 
HETATM 1742 O  O   . HOH D 4 .   ? 6.973   -36.294 -21.360 1.000 50.816 0 503 HOH A O   1 ? 
HETATM 1743 O  O   . HOH D 4 .   ? 19.761  -19.732 -11.869 1.000 25.124 0 504 HOH A O   1 ? 
HETATM 1744 O  O   . HOH D 4 .   ? 16.214  -26.744 4.515   1.000 24.140 0 505 HOH A O   1 ? 
HETATM 1745 O  O   . HOH D 4 .   ? 9.511   -34.864 -0.131  1.000 42.212 0 506 HOH A O   1 ? 
HETATM 1746 O  O   . HOH D 4 .   ? -2.315  -26.144 10.540  1.000 25.023 0 507 HOH A O   1 ? 
HETATM 1747 O  O   . HOH D 4 .   ? 11.380  -16.282 -16.318 1.000 11.990 0 508 HOH A O   1 ? 
HETATM 1748 O  O   . HOH D 4 .   ? 0.622   -10.469 -16.946 1.000 31.917 0 509 HOH A O   1 ? 
HETATM 1749 O  O   . HOH D 4 .   ? 1.514   -35.711 -14.672 1.000 29.990 0 510 HOH A O   1 ? 
HETATM 1750 O  O   . HOH D 4 .   ? 2.915   -8.282  -27.828 1.000 30.106 0 511 HOH A O   1 ? 
HETATM 1751 O  O   . HOH D 4 .   ? 20.012  -22.848 -11.910 1.000 20.177 0 512 HOH A O   1 ? 
HETATM 1752 O  O   . HOH D 4 .   ? 6.959   -30.495 11.772  1.000 42.845 0 513 HOH A O   1 ? 
HETATM 1753 O  O   . HOH D 4 .   ? -10.491 -10.811 -17.499 1.000 35.011 0 514 HOH A O   1 ? 
HETATM 1754 O  O   . HOH D 4 .   ? 19.681  -26.263 -13.491 1.000 27.167 0 515 HOH A O   1 ? 
HETATM 1755 O  O   . HOH D 4 .   ? -3.983  -30.837 -27.234 1.000 42.315 0 516 HOH A O   1 ? 
HETATM 1756 O  O   . HOH D 4 .   ? 2.513   -35.490 -23.233 1.000 32.488 0 517 HOH A O   1 ? 
HETATM 1757 O  O   . HOH D 4 .   ? -16.091 -28.746 -13.626 1.000 27.280 0 518 HOH A O   1 ? 
HETATM 1758 O  O   . HOH D 4 .   ? 10.781  -4.178  -8.287  1.000 37.883 0 519 HOH A O   1 ? 
HETATM 1759 O  O   . HOH D 4 .   ? -8.136  -15.523 4.041   1.000 18.699 0 520 HOH A O   1 ? 
HETATM 1760 O  O   . HOH D 4 .   ? 5.492   -36.344 -0.830  1.000 23.982 0 521 HOH A O   1 ? 
HETATM 1761 O  O   . HOH D 4 .   ? -20.997 -16.749 -17.062 1.000 51.847 0 522 HOH A O   1 ? 
HETATM 1762 O  O   . HOH D 4 .   ? -16.827 -26.592 -1.362  1.000 26.953 0 523 HOH A O   1 ? 
HETATM 1763 O  O   . HOH D 4 .   ? -14.955 -16.193 -20.414 1.000 45.385 0 524 HOH A O   1 ? 
HETATM 1764 O  O   . HOH D 4 .   ? 11.364  -12.488 -30.502 1.000 34.306 0 525 HOH A O   1 ? 
HETATM 1765 O  O   . HOH D 4 .   ? 10.834  -27.033 -20.194 1.000 28.741 0 526 HOH A O   1 ? 
HETATM 1766 O  O   . HOH D 4 .   ? 12.032  -36.451 -6.729  1.000 43.884 0 527 HOH A O   1 ? 
HETATM 1767 O  O   . HOH D 4 .   ? 17.066  -30.687 -21.341 1.000 41.084 0 528 HOH A O   1 ? 
HETATM 1768 O  O   . HOH D 4 .   ? -16.128 -22.061 -7.176  1.000 30.655 0 529 HOH A O   1 ? 
HETATM 1769 O  O   . HOH D 4 .   ? 5.302   -14.434 -37.045 1.000 49.980 0 530 HOH A O   1 ? 
HETATM 1770 O  O   . HOH D 4 .   ? -8.521  -29.352 -22.796 1.000 50.465 0 531 HOH A O   1 ? 
HETATM 1771 O  O   . HOH D 4 .   ? -9.938  -21.060 5.988   1.000 24.587 0 532 HOH A O   1 ? 
HETATM 1772 O  O   . HOH D 4 .   ? 14.696  -29.120 3.382   1.000 37.985 0 533 HOH A O   1 ? 
HETATM 1773 O  O   . HOH D 4 .   ? 3.403   -35.692 -25.894 1.000 45.974 0 534 HOH A O   1 ? 
HETATM 1774 O  O   . HOH D 4 .   ? -18.123 -13.904 -19.271 1.000 45.016 0 535 HOH A O   1 ? 
HETATM 1775 O  O   . HOH D 4 .   ? 0.900   -36.159 -21.337 1.000 55.732 0 536 HOH A O   1 ? 
HETATM 1776 O  O   . HOH D 4 .   ? 10.741  -36.151 -2.092  1.000 45.556 0 537 HOH A O   1 ? 
HETATM 1777 O  O   . HOH D 4 .   ? -8.105  -20.532 -34.153 1.000 60.220 0 538 HOH A O   1 ? 
HETATM 1778 O  O   . HOH D 4 .   ? 7.256   -32.819 10.546  1.000 40.711 0 539 HOH A O   1 ? 
HETATM 1779 O  O   . HOH D 4 .   ? 19.385  -19.304 -14.465 1.000 47.355 0 540 HOH A O   1 ? 
HETATM 1780 O  O   . HOH D 4 .   ? -16.712 -20.823 -10.039 1.000 48.193 0 541 HOH A O   1 ? 
HETATM 1781 O  O   . HOH D 4 .   ? -19.506 -18.618 -18.157 1.000 43.753 0 542 HOH A O   1 ? 
HETATM 1782 O  O   . HOH D 4 .   ? -14.802 -18.866 -20.285 1.000 37.064 0 543 HOH A O   1 ? 
HETATM 1783 O  O   . HOH D 4 .   ? -16.228 -30.552 -2.224  1.000 37.243 0 544 HOH A O   1 ? 
HETATM 1784 O  O   . HOH D 4 .   ? 4.793   -27.650 -32.475 1.000 36.434 0 545 HOH A O   1 ? 
HETATM 1785 O  O   . HOH D 4 .   ? 3.119   -8.812  -12.730 1.000 41.629 0 546 HOH A O   1 ? 
HETATM 1786 O  O   . HOH D 4 .   ? -15.133 -22.031 -14.999 1.000 41.950 0 547 HOH A O   1 ? 
HETATM 1787 O  O   . HOH D 4 .   ? 8.830   -34.480 -20.373 1.000 36.140 0 548 HOH A O   1 ? 
HETATM 1788 O  O   . HOH D 4 .   ? -6.048  -22.317 -34.699 1.000 66.179 0 549 HOH A O   1 ? 
HETATM 1789 O  O   . HOH D 4 .   ? 7.951   -3.688  -7.862  1.000 48.987 0 550 HOH A O   1 ? 
HETATM 1790 O  O   . HOH D 4 .   ? 9.043   -7.440  -21.937 1.000 39.722 0 551 HOH A O   1 ? 
HETATM 1791 O  O   . HOH D 4 .   ? 2.785   -18.043 14.902  1.000 46.854 0 552 HOH A O   1 ? 
HETATM 1792 O  O   . HOH D 4 .   ? -0.380  -27.772 -29.258 1.000 44.114 0 553 HOH A O   1 ? 
HETATM 1793 O  O   . HOH D 4 .   ? -16.486 -28.688 -5.796  1.000 36.949 0 554 HOH A O   1 ? 
HETATM 1794 O  O   . HOH D 4 .   ? -3.503  -23.037 -34.276 1.000 45.525 0 555 HOH A O   1 ? 
HETATM 1795 O  O   . HOH D 4 .   ? -18.935 -21.338 -11.456 1.000 42.585 0 556 HOH A O   1 ? 
HETATM 1796 O  O   . HOH D 4 .   ? -4.236  -29.012 -28.912 1.000 43.673 0 557 HOH A O   1 ? 
HETATM 1797 O  O   . HOH D 4 .   ? -6.303  -9.677  -32.344 1.000 53.990 0 558 HOH A O   1 ? 
HETATM 1798 O  O   . HOH D 4 .   ? 6.400   -39.131 1.279   1.000 50.894 0 559 HOH A O   1 ? 
HETATM 1799 O  O   . HOH D 4 .   ? -5.889  -30.638 -30.399 1.000 48.387 0 560 HOH A O   1 ? 
# 
