data_9AW0
# 
_entry.id   9AW0 
# 
_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   9AW0         pdb_00009aw0 10.2210/pdb9aw0/pdb 
WWPDB D_1000282136 ?            ?                   
# 
_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                        9AW0 
_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 100 Kelvin with benzamidine (quadruplicate)' 
_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    334 ?        ? ? ? 
# 
_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   401 149 HOH HOH A . 
D 4 HOH 2   402 288 HOH HOH A . 
D 4 HOH 3   403 208 HOH HOH A . 
D 4 HOH 4   404 102 HOH HOH A . 
D 4 HOH 5   405 317 HOH HOH A . 
D 4 HOH 6   406 203 HOH HOH A . 
D 4 HOH 7   407 133 HOH HOH A . 
D 4 HOH 8   408 120 HOH HOH A . 
D 4 HOH 9   409 35  HOH HOH A . 
D 4 HOH 10  410 295 HOH HOH A . 
D 4 HOH 11  411 283 HOH HOH A . 
D 4 HOH 12  412 209 HOH HOH A . 
D 4 HOH 13  413 4   HOH HOH A . 
D 4 HOH 14  414 20  HOH HOH A . 
D 4 HOH 15  415 230 HOH HOH A . 
D 4 HOH 16  416 170 HOH HOH A . 
D 4 HOH 17  417 42  HOH HOH A . 
D 4 HOH 18  418 5   HOH HOH A . 
D 4 HOH 19  419 138 HOH HOH A . 
D 4 HOH 20  420 162 HOH HOH A . 
D 4 HOH 21  421 15  HOH HOH A . 
D 4 HOH 22  422 47  HOH HOH A . 
D 4 HOH 23  423 37  HOH HOH A . 
D 4 HOH 24  424 316 HOH HOH A . 
D 4 HOH 25  425 224 HOH HOH A . 
D 4 HOH 26  426 58  HOH HOH A . 
D 4 HOH 27  427 110 HOH HOH A . 
D 4 HOH 28  428 163 HOH HOH A . 
D 4 HOH 29  429 85  HOH HOH A . 
D 4 HOH 30  430 2   HOH HOH A . 
D 4 HOH 31  431 186 HOH HOH A . 
D 4 HOH 32  432 155 HOH HOH A . 
D 4 HOH 33  433 205 HOH HOH A . 
D 4 HOH 34  434 195 HOH HOH A . 
D 4 HOH 35  435 258 HOH HOH A . 
D 4 HOH 36  436 34  HOH HOH A . 
D 4 HOH 37  437 146 HOH HOH A . 
D 4 HOH 38  438 148 HOH HOH A . 
D 4 HOH 39  439 32  HOH HOH A . 
D 4 HOH 40  440 79  HOH HOH A . 
D 4 HOH 41  441 137 HOH HOH A . 
D 4 HOH 42  442 177 HOH HOH A . 
D 4 HOH 43  443 134 HOH HOH A . 
D 4 HOH 44  444 190 HOH HOH A . 
D 4 HOH 45  445 201 HOH HOH A . 
D 4 HOH 46  446 152 HOH HOH A . 
D 4 HOH 47  447 132 HOH HOH A . 
D 4 HOH 48  448 125 HOH HOH A . 
D 4 HOH 49  449 178 HOH HOH A . 
D 4 HOH 50  450 55  HOH HOH A . 
D 4 HOH 51  451 76  HOH HOH A . 
D 4 HOH 52  452 71  HOH HOH A . 
D 4 HOH 53  453 165 HOH HOH A . 
D 4 HOH 54  454 194 HOH HOH A . 
D 4 HOH 55  455 115 HOH HOH A . 
D 4 HOH 56  456 271 HOH HOH A . 
D 4 HOH 57  457 140 HOH HOH A . 
D 4 HOH 58  458 198 HOH HOH A . 
D 4 HOH 59  459 248 HOH HOH A . 
D 4 HOH 60  460 18  HOH HOH A . 
D 4 HOH 61  461 202 HOH HOH A . 
D 4 HOH 62  462 77  HOH HOH A . 
D 4 HOH 63  463 124 HOH HOH A . 
D 4 HOH 64  464 56  HOH HOH A . 
D 4 HOH 65  465 24  HOH HOH A . 
D 4 HOH 66  466 73  HOH HOH A . 
D 4 HOH 67  467 213 HOH HOH A . 
D 4 HOH 68  468 30  HOH HOH A . 
D 4 HOH 69  469 97  HOH HOH A . 
D 4 HOH 70  470 285 HOH HOH A . 
D 4 HOH 71  471 105 HOH HOH A . 
D 4 HOH 72  472 13  HOH HOH A . 
D 4 HOH 73  473 145 HOH HOH A . 
D 4 HOH 74  474 206 HOH HOH A . 
D 4 HOH 75  475 167 HOH HOH A . 
D 4 HOH 76  476 214 HOH HOH A . 
D 4 HOH 77  477 219 HOH HOH A . 
D 4 HOH 78  478 172 HOH HOH A . 
D 4 HOH 79  479 126 HOH HOH A . 
D 4 HOH 80  480 282 HOH HOH A . 
D 4 HOH 81  481 29  HOH HOH A . 
D 4 HOH 82  482 180 HOH HOH A . 
D 4 HOH 83  483 6   HOH HOH A . 
D 4 HOH 84  484 82  HOH HOH A . 
D 4 HOH 85  485 109 HOH HOH A . 
D 4 HOH 86  486 60  HOH HOH A . 
D 4 HOH 87  487 51  HOH HOH A . 
D 4 HOH 88  488 200 HOH HOH A . 
D 4 HOH 89  489 182 HOH HOH A . 
D 4 HOH 90  490 11  HOH HOH A . 
D 4 HOH 91  491 93  HOH HOH A . 
D 4 HOH 92  492 69  HOH HOH A . 
D 4 HOH 93  493 21  HOH HOH A . 
D 4 HOH 94  494 116 HOH HOH A . 
D 4 HOH 95  495 191 HOH HOH A . 
D 4 HOH 96  496 136 HOH HOH A . 
D 4 HOH 97  497 87  HOH HOH A . 
D 4 HOH 98  498 122 HOH HOH A . 
D 4 HOH 99  499 118 HOH HOH A . 
D 4 HOH 100 500 307 HOH HOH A . 
D 4 HOH 101 501 17  HOH HOH A . 
D 4 HOH 102 502 150 HOH HOH A . 
D 4 HOH 103 503 8   HOH HOH A . 
D 4 HOH 104 504 44  HOH HOH A . 
D 4 HOH 105 505 305 HOH HOH A . 
D 4 HOH 106 506 19  HOH HOH A . 
D 4 HOH 107 507 1   HOH HOH A . 
D 4 HOH 108 508 3   HOH HOH A . 
D 4 HOH 109 509 280 HOH HOH A . 
D 4 HOH 110 510 65  HOH HOH A . 
D 4 HOH 111 511 128 HOH HOH A . 
D 4 HOH 112 512 323 HOH HOH A . 
D 4 HOH 113 513 7   HOH HOH A . 
D 4 HOH 114 514 88  HOH HOH A . 
D 4 HOH 115 515 50  HOH HOH A . 
D 4 HOH 116 516 112 HOH HOH A . 
D 4 HOH 117 517 143 HOH HOH A . 
D 4 HOH 118 518 90  HOH HOH A . 
D 4 HOH 119 519 274 HOH HOH A . 
D 4 HOH 120 520 236 HOH HOH A . 
D 4 HOH 121 521 14  HOH HOH A . 
D 4 HOH 122 522 101 HOH HOH A . 
D 4 HOH 123 523 269 HOH HOH A . 
D 4 HOH 124 524 92  HOH HOH A . 
D 4 HOH 125 525 96  HOH HOH A . 
D 4 HOH 126 526 141 HOH HOH A . 
D 4 HOH 127 527 52  HOH HOH A . 
D 4 HOH 128 528 66  HOH HOH A . 
D 4 HOH 129 529 123 HOH HOH A . 
D 4 HOH 130 530 53  HOH HOH A . 
D 4 HOH 131 531 26  HOH HOH A . 
D 4 HOH 132 532 39  HOH HOH A . 
D 4 HOH 133 533 106 HOH HOH A . 
D 4 HOH 134 534 48  HOH HOH A . 
D 4 HOH 135 535 27  HOH HOH A . 
D 4 HOH 136 536 68  HOH HOH A . 
D 4 HOH 137 537 111 HOH HOH A . 
D 4 HOH 138 538 72  HOH HOH A . 
D 4 HOH 139 539 131 HOH HOH A . 
D 4 HOH 140 540 204 HOH HOH A . 
D 4 HOH 141 541 22  HOH HOH A . 
D 4 HOH 142 542 171 HOH HOH A . 
D 4 HOH 143 543 12  HOH HOH A . 
D 4 HOH 144 544 217 HOH HOH A . 
D 4 HOH 145 545 41  HOH HOH A . 
D 4 HOH 146 546 226 HOH HOH A . 
D 4 HOH 147 547 144 HOH HOH A . 
D 4 HOH 148 548 183 HOH HOH A . 
D 4 HOH 149 549 173 HOH HOH A . 
D 4 HOH 150 550 279 HOH HOH A . 
D 4 HOH 151 551 75  HOH HOH A . 
D 4 HOH 152 552 38  HOH HOH A . 
D 4 HOH 153 553 16  HOH HOH A . 
D 4 HOH 154 554 49  HOH HOH A . 
D 4 HOH 155 555 244 HOH HOH A . 
D 4 HOH 156 556 107 HOH HOH A . 
D 4 HOH 157 557 113 HOH HOH A . 
D 4 HOH 158 558 10  HOH HOH A . 
D 4 HOH 159 559 189 HOH HOH A . 
D 4 HOH 160 560 31  HOH HOH A . 
D 4 HOH 161 561 121 HOH HOH A . 
D 4 HOH 162 562 28  HOH HOH A . 
D 4 HOH 163 563 46  HOH HOH A . 
D 4 HOH 164 564 275 HOH HOH A . 
D 4 HOH 165 565 94  HOH HOH A . 
D 4 HOH 166 566 40  HOH HOH A . 
D 4 HOH 167 567 89  HOH HOH A . 
D 4 HOH 168 568 158 HOH HOH A . 
D 4 HOH 169 569 67  HOH HOH A . 
D 4 HOH 170 570 25  HOH HOH A . 
D 4 HOH 171 571 129 HOH HOH A . 
D 4 HOH 172 572 330 HOH HOH A . 
D 4 HOH 173 573 166 HOH HOH A . 
D 4 HOH 174 574 139 HOH HOH A . 
D 4 HOH 175 575 95  HOH HOH A . 
D 4 HOH 176 576 78  HOH HOH A . 
D 4 HOH 177 577 45  HOH HOH A . 
D 4 HOH 178 578 74  HOH HOH A . 
D 4 HOH 179 579 57  HOH HOH A . 
D 4 HOH 180 580 237 HOH HOH A . 
D 4 HOH 181 581 104 HOH HOH A . 
D 4 HOH 182 582 36  HOH HOH A . 
D 4 HOH 183 583 253 HOH HOH A . 
D 4 HOH 184 584 135 HOH HOH A . 
D 4 HOH 185 585 70  HOH HOH A . 
D 4 HOH 186 586 277 HOH HOH A . 
D 4 HOH 187 587 169 HOH HOH A . 
D 4 HOH 188 588 9   HOH HOH A . 
D 4 HOH 189 589 231 HOH HOH A . 
D 4 HOH 190 590 232 HOH HOH A . 
D 4 HOH 191 591 333 HOH HOH A . 
D 4 HOH 192 592 23  HOH HOH A . 
D 4 HOH 193 593 229 HOH HOH A . 
D 4 HOH 194 594 91  HOH HOH A . 
D 4 HOH 195 595 225 HOH HOH A . 
D 4 HOH 196 596 59  HOH HOH A . 
D 4 HOH 197 597 304 HOH HOH A . 
D 4 HOH 198 598 161 HOH HOH A . 
D 4 HOH 199 599 43  HOH HOH A . 
D 4 HOH 200 600 130 HOH HOH A . 
D 4 HOH 201 601 223 HOH HOH A . 
D 4 HOH 202 602 151 HOH HOH A . 
D 4 HOH 203 603 99  HOH HOH A . 
D 4 HOH 204 604 127 HOH HOH A . 
D 4 HOH 205 605 117 HOH HOH A . 
D 4 HOH 206 606 157 HOH HOH A . 
D 4 HOH 207 607 196 HOH HOH A . 
D 4 HOH 208 608 331 HOH HOH A . 
D 4 HOH 209 609 319 HOH HOH A . 
D 4 HOH 210 610 193 HOH HOH A . 
D 4 HOH 211 611 62  HOH HOH A . 
D 4 HOH 212 612 33  HOH HOH A . 
D 4 HOH 213 613 154 HOH HOH A . 
D 4 HOH 214 614 297 HOH HOH A . 
D 4 HOH 215 615 306 HOH HOH A . 
D 4 HOH 216 616 287 HOH HOH A . 
D 4 HOH 217 617 114 HOH HOH A . 
D 4 HOH 218 618 179 HOH HOH A . 
D 4 HOH 219 619 303 HOH HOH A . 
D 4 HOH 220 620 239 HOH HOH A . 
D 4 HOH 221 621 314 HOH HOH A . 
D 4 HOH 222 622 310 HOH HOH A . 
D 4 HOH 223 623 250 HOH HOH A . 
D 4 HOH 224 624 329 HOH HOH A . 
D 4 HOH 225 625 187 HOH HOH A . 
D 4 HOH 226 626 227 HOH HOH A . 
D 4 HOH 227 627 220 HOH HOH A . 
D 4 HOH 228 628 263 HOH HOH A . 
D 4 HOH 229 629 181 HOH HOH A . 
D 4 HOH 230 630 318 HOH HOH A . 
D 4 HOH 231 631 168 HOH HOH A . 
D 4 HOH 232 632 247 HOH HOH A . 
D 4 HOH 233 633 210 HOH HOH A . 
D 4 HOH 234 634 164 HOH HOH A . 
D 4 HOH 235 635 265 HOH HOH A . 
D 4 HOH 236 636 61  HOH HOH A . 
D 4 HOH 237 637 267 HOH HOH A . 
D 4 HOH 238 638 255 HOH HOH A . 
D 4 HOH 239 639 240 HOH HOH A . 
D 4 HOH 240 640 160 HOH HOH A . 
D 4 HOH 241 641 290 HOH HOH A . 
D 4 HOH 242 642 175 HOH HOH A . 
D 4 HOH 243 643 84  HOH HOH A . 
D 4 HOH 244 644 174 HOH HOH A . 
D 4 HOH 245 645 80  HOH HOH A . 
D 4 HOH 246 646 266 HOH HOH A . 
D 4 HOH 247 647 238 HOH HOH A . 
D 4 HOH 248 648 312 HOH HOH A . 
D 4 HOH 249 649 292 HOH HOH A . 
D 4 HOH 250 650 212 HOH HOH A . 
D 4 HOH 251 651 300 HOH HOH A . 
D 4 HOH 252 652 308 HOH HOH A . 
D 4 HOH 253 653 272 HOH HOH A . 
D 4 HOH 254 654 315 HOH HOH A . 
D 4 HOH 255 655 142 HOH HOH A . 
D 4 HOH 256 656 215 HOH HOH A . 
D 4 HOH 257 657 185 HOH HOH A . 
D 4 HOH 258 658 192 HOH HOH A . 
D 4 HOH 259 659 249 HOH HOH A . 
D 4 HOH 260 660 286 HOH HOH A . 
D 4 HOH 261 661 246 HOH HOH A . 
D 4 HOH 262 662 302 HOH HOH A . 
D 4 HOH 263 663 259 HOH HOH A . 
D 4 HOH 264 664 197 HOH HOH A . 
D 4 HOH 265 665 159 HOH HOH A . 
D 4 HOH 266 666 301 HOH HOH A . 
D 4 HOH 267 667 299 HOH HOH A . 
D 4 HOH 268 668 328 HOH HOH A . 
D 4 HOH 269 669 264 HOH HOH A . 
D 4 HOH 270 670 63  HOH HOH A . 
D 4 HOH 271 671 334 HOH HOH A . 
D 4 HOH 272 672 98  HOH HOH A . 
D 4 HOH 273 673 298 HOH HOH A . 
D 4 HOH 274 674 332 HOH HOH A . 
D 4 HOH 275 675 234 HOH HOH A . 
D 4 HOH 276 676 276 HOH HOH A . 
D 4 HOH 277 677 147 HOH HOH A . 
D 4 HOH 278 678 313 HOH HOH A . 
D 4 HOH 279 679 218 HOH HOH A . 
D 4 HOH 280 680 211 HOH HOH A . 
D 4 HOH 281 681 309 HOH HOH A . 
D 4 HOH 282 682 278 HOH HOH A . 
D 4 HOH 283 683 207 HOH HOH A . 
D 4 HOH 284 684 216 HOH HOH A . 
D 4 HOH 285 685 86  HOH HOH A . 
D 4 HOH 286 686 83  HOH HOH A . 
D 4 HOH 287 687 325 HOH HOH A . 
D 4 HOH 288 688 119 HOH HOH A . 
D 4 HOH 289 689 100 HOH HOH A . 
D 4 HOH 290 690 188 HOH HOH A . 
D 4 HOH 291 691 324 HOH HOH A . 
D 4 HOH 292 692 262 HOH HOH A . 
D 4 HOH 293 693 273 HOH HOH A . 
D 4 HOH 294 694 294 HOH HOH A . 
D 4 HOH 295 695 235 HOH HOH A . 
D 4 HOH 296 696 245 HOH HOH A . 
D 4 HOH 297 697 268 HOH HOH A . 
D 4 HOH 298 698 221 HOH HOH A . 
D 4 HOH 299 699 251 HOH HOH A . 
D 4 HOH 300 700 108 HOH HOH A . 
D 4 HOH 301 701 176 HOH HOH A . 
D 4 HOH 302 702 270 HOH HOH A . 
D 4 HOH 303 703 242 HOH HOH A . 
D 4 HOH 304 704 289 HOH HOH A . 
D 4 HOH 305 705 260 HOH HOH A . 
D 4 HOH 306 706 222 HOH HOH A . 
D 4 HOH 307 707 184 HOH HOH A . 
D 4 HOH 308 708 156 HOH HOH A . 
D 4 HOH 309 709 199 HOH HOH A . 
D 4 HOH 310 710 233 HOH HOH A . 
D 4 HOH 311 711 311 HOH HOH A . 
D 4 HOH 312 712 320 HOH HOH A . 
D 4 HOH 313 713 64  HOH HOH A . 
D 4 HOH 314 714 284 HOH HOH A . 
D 4 HOH 315 715 103 HOH HOH A . 
D 4 HOH 316 716 257 HOH HOH A . 
D 4 HOH 317 717 81  HOH HOH A . 
D 4 HOH 318 718 322 HOH HOH A . 
D 4 HOH 319 719 327 HOH HOH A . 
D 4 HOH 320 720 241 HOH HOH A . 
D 4 HOH 321 721 326 HOH HOH A . 
D 4 HOH 322 722 228 HOH HOH A . 
D 4 HOH 323 723 296 HOH HOH A . 
D 4 HOH 324 724 54  HOH HOH A . 
D 4 HOH 325 725 261 HOH HOH A . 
D 4 HOH 326 726 321 HOH HOH A . 
D 4 HOH 327 727 293 HOH HOH A . 
D 4 HOH 328 728 291 HOH HOH A . 
D 4 HOH 329 729 281 HOH HOH A . 
D 4 HOH 330 730 256 HOH HOH A . 
D 4 HOH 331 731 254 HOH HOH A . 
D 4 HOH 332 732 252 HOH HOH A . 
D 4 HOH 333 733 153 HOH HOH A . 
D 4 HOH 334 734 243 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' ? ? ? ? ? ? ? ? ? ? ? SAINT  ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? SCALA  ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9AW0 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     54.318 
_cell.length_a_esd                 ? 
_cell.length_b                     58.166 
_cell.length_b_esd                 ? 
_cell.length_c                     66.477 
_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                         9AW0 
_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                   9AW0 
_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             2.25 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          45.36 
_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, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     298 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     CMOS 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'BRUKER PHOTON 100' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-11-01 
_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 TURBO X-RAY SOURCE' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.54184 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9AW0 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.498 
_reflns.d_resolution_low                               24.621 
_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                                     34364 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.42 
_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                          20.28 
_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                                   0.874 
_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                                     24.61 
_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                             1710 
_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                                  0.874 
_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]                            0.173 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.214 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            0.041 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               9.046 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.963 
_refine.correlation_coeff_Fo_to_Fc_free          0.950 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9AW0 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.498 
_refine.ls_d_res_low                             24.621 
_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                     34363 
_refine.ls_number_reflns_R_free                  1710 
_refine.ls_number_reflns_R_work                  32653 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.375 
_refine.ls_percent_reflns_R_free                 4.976 
_refine.ls_R_factor_all                          0.158 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1811 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1567 
_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                      0.175 
_refine.ls_wR_factor_R_work                      0.152 
_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                       0.068 
_refine.pdbx_overall_ESU_R_Free                  0.068 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             1.001 
_refine.overall_SU_ML                            0.039 
_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                    0.9848 
_refine.pdbx_average_fsc_free                    0.9796 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.498 
_refine_hist.d_res_low                        24.621 
_refine_hist.number_atoms_solvent             334 
_refine_hist.number_atoms_total               1973 
_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' ? 0.011  0.012  1669 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1540 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.753  1.758  2263 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.622  1.726  3563 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.136  5.000  222  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.004 5.000  3    ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 1.544  5.000  1    ? r_dihedral_angle_other_2_deg   ? ? 
'X-RAY DIFFRACTION' ? 10.768 10.000 269  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.267 10.000 58   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.090  0.200  254  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  1978 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  366  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.236  0.200  310  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.203  0.200  1448 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.176  0.200  838  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.086  0.200  927  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.272  0.200  196  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.108  0.200  6    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.121  0.200  7    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.161  0.200  31   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.210  0.200  34   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.022  0.841  891  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.011  0.840  891  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 1.539  1.511  1112 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 1.539  1.511  1113 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 1.910  0.976  778  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.909  0.976  779  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.811  1.699  1151 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.811  1.699  1151 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.049  13.964 2001 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.141  10.134 1877 ? r_lrange_other                 ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.498 1.537  2512 . 110 2271 94.7850  . 0.188 . . 0.188 . . . . . 0.152 . 20 . 0.979 0.976 0.202 
'X-RAY DIFFRACTION' 1.537 1.578  2466 . 104 2325 98.4996  . 0.176 . . 0.175 . . . . . 0.145 . 20 . 0.981 0.977 0.193 
'X-RAY DIFFRACTION' 1.578 1.624  2385 . 104 2267 99.4130  . 0.162 . . 0.160 . . . . . 0.132 . 20 . 0.984 0.976 0.206 
'X-RAY DIFFRACTION' 1.624 1.674  2285 . 104 2180 99.9562  . 0.145 . . 0.143 . . . . . 0.121 . 20 . 0.987 0.983 0.192 
'X-RAY DIFFRACTION' 1.674 1.728  2264 . 112 2151 99.9558  . 0.141 . . 0.139 . . . . . 0.120 . 20 . 0.988 0.977 0.196 
'X-RAY DIFFRACTION' 1.728 1.789  2181 . 117 2064 100.0000 . 0.141 . . 0.139 . . . . . 0.123 . 20 . 0.988 0.982 0.168 
'X-RAY DIFFRACTION' 1.789 1.856  2084 . 119 1965 100.0000 . 0.156 . . 0.154 . . . . . 0.134 . 20 . 0.986 0.978 0.189 
'X-RAY DIFFRACTION' 1.856 1.931  2033 . 111 1921 99.9508  . 0.159 . . 0.158 . . . . . 0.143 . 20 . 0.985 0.980 0.184 
'X-RAY DIFFRACTION' 1.931 2.017  1955 . 101 1854 100.0000 . 0.165 . . 0.163 . . . . . 0.152 . 20 . 0.984 0.976 0.198 
'X-RAY DIFFRACTION' 2.017 2.114  1855 . 102 1752 99.9461  . 0.154 . . 0.154 . . . . . 0.144 . 20 . 0.986 0.986 0.157 
'X-RAY DIFFRACTION' 2.114 2.228  1778 . 74  1704 100.0000 . 0.155 . . 0.153 . . . . . 0.143 . 20 . 0.986 0.980 0.189 
'X-RAY DIFFRACTION' 2.228 2.362  1702 . 81  1621 100.0000 . 0.146 . . 0.145 . . . . . 0.136 . 20 . 0.987 0.983 0.168 
'X-RAY DIFFRACTION' 2.362 2.523  1596 . 93  1499 99.7494  . 0.158 . . 0.156 . . . . . 0.148 . 20 . 0.984 0.976 0.191 
'X-RAY DIFFRACTION' 2.523 2.723  1487 . 79  1406 99.8655  . 0.150 . . 0.149 . . . . . 0.146 . 20 . 0.986 0.982 0.170 
'X-RAY DIFFRACTION' 2.723 2.979  1381 . 67  1314 100.0000 . 0.167 . . 0.168 . . . . . 0.166 . 20 . 0.982 0.983 0.159 
'X-RAY DIFFRACTION' 2.979 3.325  1259 . 54  1204 99.9206  . 0.163 . . 0.163 . . . . . 0.167 . 20 . 0.983 0.981 0.169 
'X-RAY DIFFRACTION' 3.325 3.827  1126 . 60  1065 99.9112  . 0.165 . . 0.161 . . . . . 0.166 . 20 . 0.984 0.968 0.234 
'X-RAY DIFFRACTION' 3.827 4.659  960  . 55  903  99.7917  . 0.132 . . 0.131 . . . . . 0.148 . 20 . 0.990 0.991 0.137 
'X-RAY DIFFRACTION' 4.659 6.475  775  . 43  730  99.7419  . 0.172 . . 0.171 . . . . . 0.190 . 20 . 0.988 0.982 0.186 
'X-RAY DIFFRACTION' 6.475 24.621 482  . 20  457  98.9627  . 0.206 . . 0.206 . . . . . 0.231 . 20 . 0.974 0.981 0.208 
# 
_struct.entry_id                     9AW0 
_struct.title                        'Crystal structure of trypsin at 100 Kelvin with benzamidine (quadruplicate)' 
_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        9AW0 
_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              9AW0 
_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 ? SER A 222 ? TYR A 212 SER A 222 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 7   SG  ? ? ? 1_555 A CYS 137 SG ? ? A CYS 7   A CYS 137 1_555 ? ? ? ? ? ? ? 2.052 ? ? 
disulf2 disulf ? ? A CYS 25  SG  ? ? ? 1_555 A CYS 41  SG ? ? A CYS 25  A CYS 41  1_555 ? ? ? ? ? ? ? 2.039 ? ? 
disulf3 disulf ? ? A CYS 109 SG  ? ? ? 1_555 A CYS 210 SG ? ? A CYS 109 A CYS 210 1_555 ? ? ? ? ? ? ? 2.041 ? ? 
disulf4 disulf ? ? A CYS 116 SG  ? ? ? 1_555 A CYS 183 SG ? ? A CYS 116 A CYS 183 1_555 ? ? ? ? ? ? ? 2.020 ? ? 
disulf5 disulf ? ? A CYS 148 SG  ? ? ? 1_555 A CYS 162 SG ? ? A CYS 148 A CYS 162 1_555 ? ? ? ? ? ? ? 2.041 ? ? 
disulf6 disulf ? ? A CYS 173 SG  ? ? ? 1_555 A CYS 197 SG ? ? A CYS 173 A CYS 197 1_555 ? ? ? ? ? ? ? 2.060 ? ? 
metalc1 metalc ? ? A GLU 52  OE1 ? ? ? 1_555 B CA  .   CA ? ? A GLU 52  A CA  301 1_555 ? ? ? ? ? ? ? 2.259 ? ? 
metalc2 metalc ? ? A ASN 54  O   ? ? ? 1_555 B CA  .   CA ? ? A ASN 54  A CA  301 1_555 ? ? ? ? ? ? ? 2.305 ? ? 
metalc3 metalc ? ? A VAL 57  O   ? ? ? 1_555 B CA  .   CA ? ? A VAL 57  A CA  301 1_555 ? ? ? ? ? ? ? 2.283 ? ? 
metalc4 metalc ? ? A GLU 62  OE2 ? ? ? 1_555 B CA  .   CA ? ? A GLU 62  A CA  301 1_555 ? ? ? ? ? ? ? 2.347 ? ? 
metalc5 metalc ? ? B CA  .   CA  ? ? ? 1_555 D HOH .   O  ? ? A CA  301 A HOH 414 1_555 ? ? ? ? ? ? ? 2.378 ? ? 
metalc6 metalc ? ? B CA  .   CA  ? ? ? 1_555 D HOH .   O  ? ? A CA  301 A HOH 521 1_555 ? ? ? ? ? ? ? 2.352 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A ASN 54 ? A ASN 54  ? 1_555 91.6  ? 
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_555 166.7 ? 
3  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57  ? 1_555 80.4  ? 
4  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 102.6 ? 
5  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 159.5 ? 
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 88.0  ? 
7  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 414 ? 1_555 86.1  ? 
8  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 414 ? 1_555 90.6  ? 
9  O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 414 ? 1_555 104.5 ? 
10 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 414 ? 1_555 75.9  ? 
11 OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 521 ? 1_555 79.9  ? 
12 O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 521 ? 1_555 101.9 ? 
13 O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 521 ? 1_555 91.3  ? 
14 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 521 ? 1_555 95.2  ? 
15 O   ? D HOH .  ? A HOH 414 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 521 ? 1_555 161.4 ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 7   ? CYS A 137 ? CYS A 7   ? 1_555 CYS A 137 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 25  ? CYS A 41  ? CYS A 25  ? 1_555 CYS A 41  ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 109 ? CYS A 210 ? CYS A 109 ? 1_555 CYS A 210 ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 116 ? CYS A 183 ? CYS A 116 ? 1_555 CYS A 183 ? 1_555 SG SG . . . None 'Disulfide bridge' 
5 CYS A 148 ? CYS A 162 ? CYS A 148 ? 1_555 CYS A 162 ? 1_555 SG SG . . . None 'Disulfide bridge' 
6 CYS A 173 ? CYS A 197 ? CYS A 173 ? 1_555 CYS A 197 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 7 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA2 6 7 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 TYR A 5   ? THR A 6   ? TYR A 5   THR A 6   
AA1 2 LYS A 136 ? PRO A 141 ? LYS A 136 PRO A 141 
AA1 3 GLN A 115 ? GLY A 120 ? GLN A 115 GLY A 120 
AA1 4 PRO A 180 ? CYS A 183 ? PRO A 180 CYS A 183 
AA1 5 LYS A 186 ? TRP A 193 ? LYS A 186 TRP A 193 
AA1 6 GLY A 204 ? LYS A 208 ? GLY A 204 LYS A 208 
AA1 7 MET A 160 ? ALA A 163 ? MET A 160 ALA A 163 
AA2 1 GLN A 15  ? ASN A 19  ? GLN A 15  ASN A 19  
AA2 2 HIS A 23  ? ASN A 31  ? HIS A 23  ASN A 31  
AA2 3 TRP A 34  ? SER A 37  ? TRP A 34  SER A 37  
AA2 4 MET A 86  ? LEU A 90  ? MET A 86  LEU A 90  
AA2 5 GLN A 63  ? VAL A 72  ? GLN A 63  VAL A 72  
AA2 6 GLN A 47  ? LEU A 50  ? GLN A 47  LEU A 50  
AA2 7 GLN A 15  ? ASN A 19  ? GLN A 15  ASN A 19  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N TYR A 5   ? N TYR A 5   O CYS A 137 ? O CYS A 137 
AA1 2 3 O LEU A 138 ? O LEU A 138 N ILE A 118 ? N ILE A 118 
AA1 3 4 N LEU A 117 ? N LEU A 117 O VAL A 182 ? O VAL A 182 
AA1 4 5 N CYS A 183 ? N CYS A 183 O LYS A 186 ? O LYS A 186 
AA1 5 6 N TRP A 193 ? N TRP A 193 O VAL A 205 ? O VAL A 205 
AA1 6 7 O TYR A 206 ? O TYR A 206 N PHE A 161 ? N PHE A 161 
AA2 1 2 N LEU A 18  ? N LEU A 18  O CYS A 25  ? O CYS A 25  
AA2 2 3 N SER A 28  ? N SER A 28  O VAL A 36  ? O VAL A 36  
AA2 3 4 N SER A 37  ? N SER A 37  O MET A 86  ? O MET A 86  
AA2 4 5 O LEU A 87  ? O LEU A 87  N ILE A 71  ? N ILE A 71  
AA2 5 6 O GLN A 63  ? O GLN A 63  N LEU A 50  ? N LEU A 50  
AA2 6 7 O GLN A 47  ? O GLN A 47  N ASN A 19  ? N ASN A 19  
# 
_pdbx_entry_details.entry_id                   9AW0 
_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 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 CB A SER 214 ? ? O A HOH 402 ? ? 1.76 
2 1 O  A HOH 555 ? ? O A HOH 626 ? ? 2.16 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASP A 53  ? ? -121.34 -82.07 
2 1 SER A 192 ? ? -122.37 -66.15 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 731 ? 6.02 . 
2 1 O ? A HOH 732 ? 6.06 . 
3 1 O ? A HOH 733 ? 6.59 . 
4 1 O ? A HOH 734 ? 6.99 . 
# 
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                    9AW0 
_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]   0.018410 
_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]   0.017192 
_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]   0.015043 
_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   ? -8.051  -19.542 -13.336 1.000 5.463  0 1   ILE A N   1 ? 
ATOM   2    C  CA  . ILE A 1 1   ? -8.080  -20.461 -14.517 1.000 5.599  0 1   ILE A CA  1 ? 
ATOM   3    C  C   . ILE A 1 1   ? -9.366  -20.201 -15.293 1.000 6.405  0 1   ILE A C   1 ? 
ATOM   4    O  O   . ILE A 1 1   ? -10.452 -20.311 -14.747 1.000 6.032  0 1   ILE A O   1 ? 
ATOM   5    C  CB  . ILE A 1 1   ? -8.004  -21.933 -14.034 1.000 5.813  0 1   ILE A CB  1 ? 
ATOM   6    C  CG1 . ILE A 1 1   ? -6.784  -22.274 -13.127 1.000 5.711  0 1   ILE A CG1 1 ? 
ATOM   7    C  CG2 . ILE A 1 1   ? -8.071  -22.886 -15.230 1.000 6.114  0 1   ILE A CG2 1 ? 
ATOM   8    C  CD1 . ILE A 1 1   ? -5.441  -22.272 -13.837 1.000 5.757  0 1   ILE A CD1 1 ? 
ATOM   9    N  N   . VAL A 1 2   ? -9.203  -19.910 -16.581 1.000 6.604  0 2   VAL A N   1 ? 
ATOM   10   C  CA  . VAL A 1 2   ? -10.300 -19.647 -17.508 1.000 6.770  0 2   VAL A CA  1 ? 
ATOM   11   C  C   . VAL A 1 2   ? -10.468 -20.885 -18.372 1.000 6.517  0 2   VAL A C   1 ? 
ATOM   12   O  O   . VAL A 1 2   ? -9.506  -21.378 -18.973 1.000 6.637  0 2   VAL A O   1 ? 
ATOM   13   C  CB  . VAL A 1 2   ? -10.041 -18.412 -18.381 1.000 7.286  0 2   VAL A CB  1 ? 
ATOM   14   C  CG1 . VAL A 1 2   ? -11.148 -18.199 -19.420 1.000 7.763  0 2   VAL A CG1 1 ? 
ATOM   15   C  CG2 . VAL A 1 2   ? -9.837  -17.154 -17.554 1.000 8.098  0 2   VAL A CG2 1 ? 
ATOM   16   N  N   . GLY A 1 3   ? -11.709 -21.384 -18.451 1.000 7.091  0 3   GLY A N   1 ? 
ATOM   17   C  CA  . GLY A 1 3   ? -11.948 -22.474 -19.370 1.000 6.954  0 3   GLY A CA  1 ? 
ATOM   18   C  C   . GLY A 1 3   ? -11.491 -23.843 -18.845 1.000 7.007  0 3   GLY A C   1 ? 
ATOM   19   O  O   . GLY A 1 3   ? -11.407 -24.766 -19.635 1.000 7.632  0 3   GLY A O   1 ? 
ATOM   20   N  N   . GLY A 1 4   ? -11.293 -23.970 -17.529 1.000 7.104  0 4   GLY A N   1 ? 
ATOM   21   C  CA  . GLY A 1 4   ? -10.865 -25.216 -16.918 1.000 7.524  0 4   GLY A CA  1 ? 
ATOM   22   C  C   . GLY A 1 4   ? -12.018 -25.938 -16.237 1.000 8.339  0 4   GLY A C   1 ? 
ATOM   23   O  O   . GLY A 1 4   ? -13.186 -25.802 -16.640 1.000 8.228  0 4   GLY A O   1 ? 
ATOM   24   N  N   . TYR A 1 5   ? -11.653 -26.732 -15.223 1.000 7.213  0 5   TYR A N   1 ? 
ATOM   25   C  CA  . TYR A 1 5   ? -12.604 -27.602 -14.551 1.000 7.160  0 5   TYR A CA  1 ? 
ATOM   26   C  C   . TYR A 1 5   ? -12.231 -27.653 -13.077 1.000 6.939  0 5   TYR A C   1 ? 
ATOM   27   O  O   . TYR A 1 5   ? -11.126 -27.334 -12.648 1.000 6.827  0 5   TYR A O   1 ? 
ATOM   28   C  CB  . TYR A 1 5   ? -12.608 -29.000 -15.178 1.000 7.208  0 5   TYR A CB  1 ? 
ATOM   29   C  CG  . TYR A 1 5   ? -11.292 -29.728 -15.065 1.000 6.704  0 5   TYR A CG  1 ? 
ATOM   30   C  CD1 . TYR A 1 5   ? -10.290 -29.453 -15.978 1.000 6.782  0 5   TYR A CD1 1 ? 
ATOM   31   C  CD2 . TYR A 1 5   ? -11.035 -30.669 -14.085 1.000 6.741  0 5   TYR A CD2 1 ? 
ATOM   32   C  CE1 . TYR A 1 5   ? -9.083  -30.096 -15.914 1.000 7.097  0 5   TYR A CE1 1 ? 
ATOM   33   C  CE2 . TYR A 1 5   ? -9.807  -31.318 -14.007 1.000 7.258  0 5   TYR A CE2 1 ? 
ATOM   34   C  CZ  . TYR A 1 5   ? -8.822  -31.022 -14.934 1.000 7.262  0 5   TYR A CZ  1 ? 
ATOM   35   O  OH  . TYR A 1 5   ? -7.582  -31.631 -14.855 1.000 9.282  0 5   TYR A OH  1 ? 
ATOM   36   N  N   . THR A 1 6   ? -13.204 -27.982 -12.262 1.000 7.371  0 6   THR A N   1 ? 
ATOM   37   C  CA  . THR A 1 6   ? -12.997 -28.181 -10.834 1.000 6.742  0 6   THR A CA  1 ? 
ATOM   38   C  C   . THR A 1 6   ? -12.100 -29.391 -10.635 1.000 7.383  0 6   THR A C   1 ? 
ATOM   39   O  O   . THR A 1 6   ? -12.426 -30.536 -11.006 1.000 7.872  0 6   THR A O   1 ? 
ATOM   40   C  CB  . THR A 1 6   ? -14.345 -28.363 -10.126 1.000 7.163  0 6   THR A CB  1 ? 
ATOM   41   O  OG1 . THR A 1 6   ? -15.045 -27.123 -10.251 1.000 8.847  0 6   THR A OG1 1 ? 
ATOM   42   C  CG2 . THR A 1 6   ? -14.218 -28.731 -8.666  1.000 7.897  0 6   THR A CG2 1 ? 
ATOM   43   N  N   . CYS A 1 7   ? -10.944 -29.189 -10.008 1.000 6.762  0 7   CYS A N   1 ? 
ATOM   44   C  CA  . CYS A 1 7   ? -9.947  -30.265 -9.915  1.000 6.706  0 7   CYS A CA  1 ? 
ATOM   45   C  C   . CYS A 1 7   ? -10.459 -31.494 -9.146  1.000 7.256  0 7   CYS A C   1 ? 
ATOM   46   O  O   . CYS A 1 7   ? -10.211 -32.633 -9.515  1.000 8.177  0 7   CYS A O   1 ? 
ATOM   47   C  CB  . CYS A 1 7   ? -8.702  -29.807 -9.145  1.000 6.252  0 7   CYS A CB  1 ? 
ATOM   48   S  SG  . CYS A 1 7   ? -7.825  -28.388 -9.861  1.000 6.027  0 7   CYS A SG  1 ? 
ATOM   49   N  N   . GLY A 1 8   ? -11.151 -31.176 -8.047  1.000 6.807  0 8   GLY A N   1 ? 
ATOM   50   C  CA  . GLY A 1 8   ? -11.471 -32.131 -6.994  1.000 6.242  0 8   GLY A CA  1 ? 
ATOM   51   C  C   . GLY A 1 8   ? -10.621 -31.890 -5.773  1.000 6.404  0 8   GLY A C   1 ? 
ATOM   52   O  O   . GLY A 1 8   ? -9.404  -31.628 -5.887  1.000 6.307  0 8   GLY A O   1 ? 
ATOM   53   N  N   . ALA A 1 9   ? -11.247 -31.996 -4.608  1.000 7.812  0 9   ALA A N   1 ? 
ATOM   54   C  CA  . ALA A 1 9   ? -10.546 -31.660 -3.385  1.000 7.160  0 9   ALA A CA  1 ? 
ATOM   55   C  C   . ALA A 1 9   ? -9.278  -32.492 -3.176  1.000 7.641  0 9   ALA A C   1 ? 
ATOM   56   O  O   . ALA A 1 9   ? -9.312  -33.732 -3.151  1.000 8.379  0 9   ALA A O   1 ? 
ATOM   57   C  CB  . ALA A 1 9   ? -11.475 -31.848 -2.227  1.000 7.479  0 9   ALA A CB  1 ? 
ATOM   58   N  N   . ASN A 1 10  ? -8.134  -31.795 -3.003  1.000 7.473  0 10  ASN A N   1 ? 
ATOM   59   C  CA  . ASN A 1 10  ? -6.864  -32.398 -2.619  1.000 8.116  0 10  ASN A CA  1 ? 
ATOM   60   C  C   . ASN A 1 10  ? -6.324  -33.336 -3.702  1.000 8.257  0 10  ASN A C   1 ? 
ATOM   61   O  O   . ASN A 1 10  ? -5.432  -34.127 -3.406  1.000 10.245 0 10  ASN A O   1 ? 
ATOM   62   C  CB  . ASN A 1 10  ? -6.930  -33.080 -1.258  1.000 8.122  0 10  ASN A CB  1 ? 
ATOM   63   C  CG  . ASN A 1 10  ? -7.555  -32.171 -0.226  1.000 8.630  0 10  ASN A CG  1 ? 
ATOM   64   O  OD1 . ASN A 1 10  ? -8.644  -32.431 0.326   1.000 10.528 0 10  ASN A OD1 1 ? 
ATOM   65   N  ND2 . ASN A 1 10  ? -6.861  -31.067 0.030   1.000 8.670  0 10  ASN A ND2 1 ? 
ATOM   66   N  N   . THR A 1 11  ? -6.767  -33.174 -4.944  1.000 8.208  0 11  THR A N   1 ? 
ATOM   67   C  CA  . THR A 1 11  ? -6.235  -33.969 -6.053  1.000 7.516  0 11  THR A CA  1 ? 
ATOM   68   C  C   . THR A 1 11  ? -4.942  -33.412 -6.622  1.000 7.482  0 11  THR A C   1 ? 
ATOM   69   O  O   . THR A 1 11  ? -4.351  -34.037 -7.498  1.000 7.763  0 11  THR A O   1 ? 
ATOM   70   C  CB  . THR A 1 11  ? -7.285  -34.110 -7.154  1.000 8.349  0 11  THR A CB  1 ? 
ATOM   71   O  OG1 . THR A 1 11  ? -7.602  -32.819 -7.689  1.000 8.719  0 11  THR A OG1 1 ? 
ATOM   72   C  CG2 . THR A 1 11  ? -8.568  -34.746 -6.654  1.000 8.598  0 11  THR A CG2 1 ? 
ATOM   73   N  N   . VAL A 1 12  ? -4.574  -32.211 -6.192  1.000 6.408  0 12  VAL A N   1 ? 
ATOM   74   C  CA  . VAL A 1 12  ? -3.357  -31.547 -6.628  1.000 6.266  0 12  VAL A CA  1 ? 
ATOM   75   C  C   . VAL A 1 12  ? -2.601  -31.250 -5.335  1.000 6.336  0 12  VAL A C   1 ? 
ATOM   76   O  O   . VAL A 1 12  ? -2.591  -30.137 -4.832  1.000 6.132  0 12  VAL A O   1 ? 
ATOM   77   C  CB  . VAL A 1 12  ? -3.643  -30.271 -7.430  1.000 6.584  0 12  VAL A CB  1 ? 
ATOM   78   C  CG1 . VAL A 1 12  ? -2.344  -29.690 -7.998  1.000 6.845  0 12  VAL A CG1 1 ? 
ATOM   79   C  CG2 . VAL A 1 12  ? -4.648  -30.491 -8.576  1.000 6.746  0 12  VAL A CG2 1 ? 
ATOM   80   N  N   . PRO A 1 13  ? -1.937  -32.247 -4.726  1.000 6.158  0 13  PRO A N   1 ? 
ATOM   81   C  CA  . PRO A 1 13  ? -1.566  -32.152 -3.309  1.000 6.085  0 13  PRO A CA  1 ? 
ATOM   82   C  C   . PRO A 1 13  ? -0.367  -31.254 -3.058  1.000 5.965  0 13  PRO A C   1 ? 
ATOM   83   O  O   . PRO A 1 13  ? -0.080  -30.942 -1.911  1.000 6.007  0 13  PRO A O   1 ? 
ATOM   84   C  CB  . PRO A 1 13  ? -1.335  -33.654 -2.947  1.000 6.453  0 13  PRO A CB  1 ? 
ATOM   85   C  CG  . PRO A 1 13  ? -0.919  -34.273 -4.234  1.000 6.975  0 13  PRO A CG  1 ? 
ATOM   86   C  CD  . PRO A 1 13  ? -1.772  -33.608 -5.255  1.000 6.280  0 13  PRO A CD  1 ? 
ATOM   87   N  N   . TYR A 1 14  ? 0.314   -30.872 -4.146  1.000 5.378  0 14  TYR A N   1 ? 
ATOM   88   C  CA  . TYR A 1 14  ? 1.440   -29.947 -4.076  1.000 5.448  0 14  TYR A CA  1 ? 
ATOM   89   C  C   . TYR A 1 14  ? 1.020   -28.487 -4.261  1.000 5.923  0 14  TYR A C   1 ? 
ATOM   90   O  O   . TYR A 1 14  ? 1.849   -27.602 -4.076  1.000 5.491  0 14  TYR A O   1 ? 
ATOM   91   C  CB  . TYR A 1 14  ? 2.508   -30.306 -5.115  1.000 5.840  0 14  TYR A CB  1 ? 
ATOM   92   C  CG  . TYR A 1 14  ? 1.881   -30.457 -6.498  1.000 5.733  0 14  TYR A CG  1 ? 
ATOM   93   C  CD1 . TYR A 1 14  ? 1.659   -29.352 -7.338  1.000 6.033  0 14  TYR A CD1 1 ? 
ATOM   94   C  CD2 . TYR A 1 14  ? 1.449   -31.688 -6.939  1.000 6.298  0 14  TYR A CD2 1 ? 
ATOM   95   C  CE1 . TYR A 1 14  ? 1.087   -29.472 -8.594  1.000 5.503  0 14  TYR A CE1 1 ? 
ATOM   96   C  CE2 . TYR A 1 14  ? 0.875   -31.816 -8.192  1.000 6.023  0 14  TYR A CE2 1 ? 
ATOM   97   C  CZ  . TYR A 1 14  ? 0.639   -30.716 -8.999  1.000 6.154  0 14  TYR A CZ  1 ? 
ATOM   98   O  OH  . TYR A 1 14  ? 0.014   -30.882 -10.204 1.000 5.817  0 14  TYR A OH  1 ? 
ATOM   99   N  N   . GLN A 1 15  ? -0.261  -28.225 -4.576  1.000 4.861  0 15  GLN A N   1 ? 
ATOM   100  C  CA  . GLN A 1 15  ? -0.731  -26.863 -4.767  1.000 5.412  0 15  GLN A CA  1 ? 
ATOM   101  C  C   . GLN A 1 15  ? -0.856  -26.156 -3.428  1.000 5.556  0 15  GLN A C   1 ? 
ATOM   102  O  O   . GLN A 1 15  ? -1.578  -26.640 -2.543  1.000 5.889  0 15  GLN A O   1 ? 
ATOM   103  C  CB  . GLN A 1 15  ? -2.089  -26.886 -5.459  1.000 5.465  0 15  GLN A CB  1 ? 
ATOM   104  C  CG  . GLN A 1 15  ? -2.755  -25.522 -5.563  1.000 5.592  0 15  GLN A CG  1 ? 
ATOM   105  C  CD  . GLN A 1 15  ? -2.245  -24.682 -6.714  1.000 5.338  0 15  GLN A CD  1 ? 
ATOM   106  O  OE1 . GLN A 1 15  ? -2.257  -25.095 -7.884  1.000 5.844  0 15  GLN A OE1 1 ? 
ATOM   107  N  NE2 . GLN A 1 15  ? -1.874  -23.442 -6.463  1.000 5.490  0 15  GLN A NE2 1 ? 
ATOM   108  N  N   . VAL A 1 16  ? -0.265  -24.968 -3.336  1.000 5.761  0 16  VAL A N   1 ? 
ATOM   109  C  CA  . VAL A 1 16  ? -0.441  -24.180 -2.121  1.000 6.845  0 16  VAL A CA  1 ? 
ATOM   110  C  C   . VAL A 1 16  ? -1.105  -22.856 -2.475  1.000 6.069  0 16  VAL A C   1 ? 
ATOM   111  O  O   . VAL A 1 16  ? -1.039  -22.379 -3.619  1.000 4.847  0 16  VAL A O   1 ? 
ATOM   112  C  CB  . VAL A 1 16  ? 0.849   -23.979 -1.320  1.000 11.432 0 16  VAL A CB  1 ? 
ATOM   113  C  CG1 . VAL A 1 16  ? 1.718   -25.229 -1.248  1.000 14.811 0 16  VAL A CG1 1 ? 
ATOM   114  C  CG2 . VAL A 1 16  ? 1.654   -22.839 -1.815  1.000 12.764 0 16  VAL A CG2 1 ? 
ATOM   115  N  N   . SER A 1 17  ? -1.762  -22.251 -1.480  1.000 5.031  0 17  SER A N   1 ? 
ATOM   116  C  CA  . SER A 1 17  ? -2.230  -20.876 -1.543  1.000 5.275  0 17  SER A CA  1 ? 
ATOM   117  C  C   . SER A 1 17  ? -1.346  -20.017 -0.671  1.000 5.344  0 17  SER A C   1 ? 
ATOM   118  O  O   . SER A 1 17  ? -1.132  -20.400 0.480   1.000 5.716  0 17  SER A O   1 ? 
ATOM   119  C  CB  . SER A 1 17  ? -3.670  -20.807 -1.075  1.000 5.226  0 17  SER A CB  1 ? 
ATOM   120  O  OG  . SER A 1 17  ? -4.107  -19.464 -0.882  1.000 5.511  0 17  SER A OG  1 ? 
ATOM   121  N  N   . LEU A 1 18  ? -0.870  -18.892 -1.193  1.000 5.016  0 18  LEU A N   1 ? 
ATOM   122  C  CA  . LEU A 1 18  ? -0.160  -17.890 -0.410  1.000 5.409  0 18  LEU A CA  1 ? 
ATOM   123  C  C   . LEU A 1 18  ? -1.187  -16.874 0.078   1.000 5.435  0 18  LEU A C   1 ? 
ATOM   124  O  O   . LEU A 1 18  ? -1.954  -16.319 -0.736  1.000 5.083  0 18  LEU A O   1 ? 
ATOM   125  C  CB  . LEU A 1 18  ? 0.934   -17.209 -1.235  1.000 6.002  0 18  LEU A CB  1 ? 
ATOM   126  C  CG  . LEU A 1 18  ? 1.948   -18.149 -1.901  1.000 6.558  0 18  LEU A CG  1 ? 
ATOM   127  C  CD1 . LEU A 1 18  ? 3.004   -17.298 -2.607  1.000 7.468  0 18  LEU A CD1 1 ? 
ATOM   128  C  CD2 . LEU A 1 18  ? 2.582   -19.105 -0.923  1.000 7.235  0 18  LEU A CD2 1 ? 
ATOM   129  N  N   . ASN A 1 19  ? -1.220  -16.680 1.412   1.000 5.349  0 19  ASN A N   1 ? 
ATOM   130  C  CA  . ASN A 1 19  ? -2.243  -15.895 2.079   1.000 5.537  0 19  ASN A CA  1 ? 
ATOM   131  C  C   . ASN A 1 19  ? -1.573  -14.761 2.866   1.000 6.036  0 19  ASN A C   1 ? 
ATOM   132  O  O   . ASN A 1 19  ? -0.689  -15.016 3.683   1.000 6.214  0 19  ASN A O   1 ? 
ATOM   133  C  CB  . ASN A 1 19  ? -3.080  -16.812 2.959   1.000 6.042  0 19  ASN A CB  1 ? 
ATOM   134  C  CG  . ASN A 1 19  ? -4.245  -16.101 3.601   1.000 5.906  0 19  ASN A CG  1 ? 
ATOM   135  O  OD1 . ASN A 1 19  ? -4.035  -15.311 4.536   1.000 7.198  0 19  ASN A OD1 1 ? 
ATOM   136  N  ND2 . ASN A 1 19  ? -5.452  -16.378 3.126   1.000 5.913  0 19  ASN A ND2 1 ? 
ATOM   137  N  N   . SER A 1 20  ? -2.076  -13.530 2.690   1.000 6.860  0 20  SER A N   1 ? 
ATOM   138  C  CA  . SER A 1 20  ? -1.626  -12.368 3.456   1.000 7.795  0 20  SER A CA  1 ? 
ATOM   139  C  C   . SER A 1 20  ? -2.839  -11.644 4.040   1.000 8.724  0 20  SER A C   1 ? 
ATOM   140  O  O   . SER A 1 20  ? -2.977  -10.432 3.933   1.000 10.293 0 20  SER A O   1 ? 
ATOM   141  C  CB  . SER A 1 20  ? -0.802  -11.431 2.593   1.000 8.675  0 20  SER A CB  1 ? 
ATOM   142  O  OG  . SER A 1 20  ? -1.574  -10.892 1.539   1.000 11.050 0 20  SER A OG  1 ? 
ATOM   143  N  N   . GLY A 1 21  ? -3.780  -12.438 4.550   1.000 6.901  0 21  GLY A N   1 ? 
ATOM   144  C  CA  . GLY A 1 21  ? -5.125  -11.974 4.892   1.000 6.938  0 21  GLY A CA  1 ? 
ATOM   145  C  C   . GLY A 1 21  ? -6.204  -12.479 3.942   1.000 7.128  0 21  GLY A C   1 ? 
ATOM   146  O  O   . GLY A 1 21  ? -7.411  -12.351 4.202   1.000 7.025  0 21  GLY A O   1 ? 
ATOM   147  N  N   . TYR A 1 22  ? -5.737  -12.963 2.777   1.000 7.080  0 22  TYR A N   1 ? 
ATOM   148  C  CA  . TYR A 1 22  ? -6.528  -13.336 1.615   1.000 6.838  0 22  TYR A CA  1 ? 
ATOM   149  C  C   . TYR A 1 22  ? -5.565  -14.107 0.722   1.000 5.913  0 22  TYR A C   1 ? 
ATOM   150  O  O   . TYR A 1 22  ? -4.351  -13.869 0.763   1.000 6.185  0 22  TYR A O   1 ? 
ATOM   151  C  CB  . TYR A 1 22  ? -7.147  -12.129 0.896   1.000 7.837  0 22  TYR A CB  1 ? 
ATOM   152  C  CG  . TYR A 1 22  ? -6.094  -11.054 0.727   1.000 9.351  0 22  TYR A CG  1 ? 
ATOM   153  C  CD1 . TYR A 1 22  ? -5.921  -10.083 1.705   1.000 12.713 0 22  TYR A CD1 1 ? 
ATOM   154  C  CD2 . TYR A 1 22  ? -5.201  -11.046 -0.339  1.000 11.012 0 22  TYR A CD2 1 ? 
ATOM   155  C  CE1 . TYR A 1 22  ? -4.912  -9.155  1.631   1.000 13.201 0 22  TYR A CE1 1 ? 
ATOM   156  C  CE2 . TYR A 1 22  ? -4.200  -10.095 -0.433  1.000 11.788 0 22  TYR A CE2 1 ? 
ATOM   157  C  CZ  . TYR A 1 22  ? -4.038  -9.171  0.573   1.000 14.365 0 22  TYR A CZ  1 ? 
ATOM   158  O  OH  . TYR A 1 22  ? -3.021  -8.247  0.524   1.000 20.174 0 22  TYR A OH  1 ? 
ATOM   159  N  N   . HIS A 1 23  ? -6.126  -14.983 -0.125  1.000 6.210  0 23  HIS A N   1 ? 
ATOM   160  C  CA  . HIS A 1 23  ? -5.367  -15.635 -1.184  1.000 6.145  0 23  HIS A CA  1 ? 
ATOM   161  C  C   . HIS A 1 23  ? -4.861  -14.573 -2.151  1.000 6.252  0 23  HIS A C   1 ? 
ATOM   162  O  O   . HIS A 1 23  ? -5.647  -13.761 -2.633  1.000 6.662  0 23  HIS A O   1 ? 
ATOM   163  C  CB  . HIS A 1 23  ? -6.244  -16.640 -1.923  1.000 6.408  0 23  HIS A CB  1 ? 
ATOM   164  C  CG  . HIS A 1 23  ? -5.613  -17.133 -3.162  1.000 5.979  0 23  HIS A CG  1 ? 
ATOM   165  N  ND1 . HIS A 1 23  ? -4.725  -18.167 -3.194  1.000 5.544  0 23  HIS A ND1 1 ? 
ATOM   166  C  CD2 . HIS A 1 23  ? -5.707  -16.644 -4.416  1.000 5.702  0 23  HIS A CD2 1 ? 
ATOM   167  C  CE1 . HIS A 1 23  ? -4.285  -18.281 -4.453  1.000 5.587  0 23  HIS A CE1 1 ? 
ATOM   168  N  NE2 . HIS A 1 23  ? -4.883  -17.387 -5.233  1.000 6.032  0 23  HIS A NE2 1 ? 
ATOM   169  N  N   . PHE A 1 24  ? -3.566  -14.620 -2.500  1.000 6.167  0 24  PHE A N   1 ? 
ATOM   170  C  CA  . PHE A 1 24  ? -3.038  -13.703 -3.485  1.000 6.037  0 24  PHE A CA  1 ? 
ATOM   171  C  C   . PHE A 1 24  ? -2.189  -14.360 -4.564  1.000 6.193  0 24  PHE A C   1 ? 
ATOM   172  O  O   . PHE A 1 24  ? -1.944  -13.732 -5.580  1.000 7.365  0 24  PHE A O   1 ? 
ATOM   173  C  CB  . PHE A 1 24  ? -2.315  -12.521 -2.856  1.000 6.224  0 24  PHE A CB  1 ? 
ATOM   174  C  CG  . PHE A 1 24  ? -1.023  -12.920 -2.198  1.000 6.481  0 24  PHE A CG  1 ? 
ATOM   175  C  CD1 . PHE A 1 24  ? 0.137   -12.918 -2.978  1.000 7.582  0 24  PHE A CD1 1 ? 
ATOM   176  C  CD2 . PHE A 1 24  ? -0.902  -13.302 -0.856  1.000 7.000  0 24  PHE A CD2 1 ? 
ATOM   177  C  CE1 . PHE A 1 24  ? 1.336   -13.305 -2.416  1.000 7.333  0 24  PHE A CE1 1 ? 
ATOM   178  C  CE2 . PHE A 1 24  ? 0.297   -13.667 -0.314  1.000 7.464  0 24  PHE A CE2 1 ? 
ATOM   179  C  CZ  . PHE A 1 24  ? 1.435   -13.650 -1.097  1.000 7.864  0 24  PHE A CZ  1 ? 
ATOM   180  N  N   . CYS A 1 25  ? -1.772  -15.601 -4.390  1.000 5.562  0 25  CYS A N   1 ? 
ATOM   181  C  CA  . CYS A 1 25  ? -0.890  -16.251 -5.370  1.000 5.240  0 25  CYS A CA  1 ? 
ATOM   182  C  C   . CYS A 1 25  ? -0.899  -17.731 -5.034  1.000 5.008  0 25  CYS A C   1 ? 
ATOM   183  O  O   . CYS A 1 25  ? -1.187  -18.142 -3.910  1.000 6.187  0 25  CYS A O   1 ? 
ATOM   184  C  CB  . CYS A 1 25  ? 0.561   -15.748 -5.357  1.000 5.382  0 25  CYS A CB  1 ? 
ATOM   185  S  SG  . CYS A 1 25  ? 0.878   -14.290 -6.407  1.000 5.196  0 25  CYS A SG  1 ? 
ATOM   186  N  N   . GLY A 1 26  ? -0.593  -18.538 -6.045  1.000 4.773  0 26  GLY A N   1 ? 
ATOM   187  C  CA  . GLY A 1 26  ? -0.276  -19.948 -5.866  1.000 4.817  0 26  GLY A CA  1 ? 
ATOM   188  C  C   . GLY A 1 26  ? 1.200   -20.188 -5.565  1.000 4.649  0 26  GLY A C   1 ? 
ATOM   189  O  O   . GLY A 1 26  ? 2.035   -19.289 -5.620  1.000 4.671  0 26  GLY A O   1 ? 
ATOM   190  N  N   . GLY A 1 27  ? 1.479   -21.465 -5.341  1.000 4.875  0 27  GLY A N   1 ? 
ATOM   191  C  CA  . GLY A 1 27  ? 2.827   -21.975 -5.175  1.000 4.792  0 27  GLY A CA  1 ? 
ATOM   192  C  C   . GLY A 1 27  ? 2.812   -23.486 -5.256  1.000 4.769  0 27  GLY A C   1 ? 
ATOM   193  O  O   . GLY A 1 27  ? 1.717   -24.060 -5.309  1.000 5.045  0 27  GLY A O   1 ? 
ATOM   194  N  N   . SER A 1 28  ? 4.005   -24.063 -5.233  1.000 4.811  0 28  SER A N   1 ? 
ATOM   195  C  CA  . SER A 1 28  ? 4.167   -25.507 -5.291  1.000 5.172  0 28  SER A CA  1 ? 
ATOM   196  C  C   . SER A 1 28  ? 5.061   -25.967 -4.160  1.000 5.542  0 28  SER A C   1 ? 
ATOM   197  O  O   . SER A 1 28  ? 6.167   -25.453 -4.039  1.000 6.133  0 28  SER A O   1 ? 
ATOM   198  C  CB  . SER A 1 28  ? 4.698   -25.973 -6.588  1.000 5.581  0 28  SER A CB  1 ? 
ATOM   199  O  OG  . SER A 1 28  ? 3.948   -25.499 -7.691  1.000 6.176  0 28  SER A OG  1 ? 
ATOM   200  N  N   . LEU A 1 29  ? 4.624   -27.005 -3.446  1.000 5.384  0 29  LEU A N   1 ? 
ATOM   201  C  CA  . LEU A 1 29  ? 5.430   -27.580 -2.378  1.000 5.849  0 29  LEU A CA  1 ? 
ATOM   202  C  C   . LEU A 1 29  ? 6.484   -28.515 -2.994  1.000 6.389  0 29  LEU A C   1 ? 
ATOM   203  O  O   . LEU A 1 29  ? 6.110   -29.439 -3.714  1.000 6.437  0 29  LEU A O   1 ? 
ATOM   204  C  CB  . LEU A 1 29  ? 4.520   -28.377 -1.458  1.000 6.412  0 29  LEU A CB  1 ? 
ATOM   205  C  CG  . LEU A 1 29  ? 5.186   -28.885 -0.179  1.000 7.619  0 29  LEU A CG  1 ? 
ATOM   206  C  CD1 . LEU A 1 29  ? 5.583   -27.754 0.766   1.000 7.544  0 29  LEU A CD1 1 ? 
ATOM   207  C  CD2 . LEU A 1 29  ? 4.311   -29.886 0.562   1.000 9.000  0 29  LEU A CD2 1 ? 
ATOM   208  N  N   . ILE A 1 30  ? 7.773   -28.272 -2.745  1.000 7.343  0 30  ILE A N   1 ? 
ATOM   209  C  CA  . ILE A 1 30  ? 8.814   -29.095 -3.383  1.000 8.084  0 30  ILE A CA  1 ? 
ATOM   210  C  C   . ILE A 1 30  ? 9.538   -29.987 -2.385  1.000 8.246  0 30  ILE A C   1 ? 
ATOM   211  O  O   . ILE A 1 30  ? 10.249  -30.893 -2.818  1.000 9.729  0 30  ILE A O   1 ? 
ATOM   212  C  CB  . ILE A 1 30  ? 9.785   -28.296 -4.255  1.000 9.814  0 30  ILE A CB  1 ? 
ATOM   213  C  CG1 . ILE A 1 30  ? 10.471  -27.193 -3.456  1.000 10.235 0 30  ILE A CG1 1 ? 
ATOM   214  C  CG2 . ILE A 1 30  ? 9.061   -27.773 -5.510  1.000 8.976  0 30  ILE A CG2 1 ? 
ATOM   215  C  CD1 . ILE A 1 30  ? 11.698  -26.613 -4.143  1.000 11.711 0 30  ILE A CD1 1 ? 
ATOM   216  N  N   . ASN A 1 31  ? 9.355   -29.751 -1.077  1.000 8.999  0 31  ASN A N   1 ? 
ATOM   217  C  CA  . ASN A 1 31  ? 9.743   -30.692 -0.041  1.000 9.279  0 31  ASN A CA  1 ? 
ATOM   218  C  C   . ASN A 1 31  ? 9.006   -30.258 1.215   1.000 9.651  0 31  ASN A C   1 ? 
ATOM   219  O  O   . ASN A 1 31  ? 8.238   -29.286 1.180   1.000 9.391  0 31  ASN A O   1 ? 
ATOM   220  C  CB  . ASN A 1 31  ? 11.258  -30.789 0.163   1.000 9.981  0 31  ASN A CB  1 ? 
ATOM   221  C  CG  . ASN A 1 31  ? 11.887  -29.482 0.596   1.000 12.434 0 31  ASN A CG  1 ? 
ATOM   222  O  OD1 . ASN A 1 31  ? 11.397  -28.732 1.437   1.000 10.170 0 31  ASN A OD1 1 ? 
ATOM   223  N  ND2 . ASN A 1 31  ? 13.006  -29.157 -0.014  1.000 19.444 0 31  ASN A ND2 1 ? 
ATOM   224  N  N   . SER A 1 32  ? 9.251   -30.898 2.365   1.000 9.388  0 32  SER A N   1 ? 
ATOM   225  C  CA  . SER A 1 32  ? 8.468   -30.596 3.532   1.000 9.463  0 32  SER A CA  1 ? 
ATOM   226  C  C   . SER A 1 32  ? 8.625   -29.163 4.026   1.000 9.399  0 32  SER A C   1 ? 
ATOM   227  O  O   . SER A 1 32  ? 7.820   -28.700 4.818   1.000 10.459 0 32  SER A O   1 ? 
ATOM   228  C  CB  . SER A 1 32  ? 8.794   -31.578 4.642   1.000 9.333  0 32  SER A CB  1 ? 
ATOM   229  O  OG  . SER A 1 32  ? 10.097  -31.334 5.134   1.000 10.926 0 32  SER A OG  1 ? 
ATOM   230  N  N   . GLN A 1 33  ? 9.692   -28.454 3.629   1.000 9.527  0 33  GLN A N   1 ? 
ATOM   231  C  CA  . GLN A 1 33  ? 9.925   -27.137 4.207   1.000 9.995  0 33  GLN A CA  1 ? 
ATOM   232  C  C   . GLN A 1 33  ? 10.005  -26.004 3.171   1.000 7.970  0 33  GLN A C   1 ? 
ATOM   233  O  O   . GLN A 1 33  ? 10.273  -24.861 3.589   1.000 8.289  0 33  GLN A O   1 ? 
ATOM   234  C  CB  . GLN A 1 33  ? 11.220  -27.080 5.028   1.000 13.642 0 33  GLN A CB  1 ? 
ATOM   235  C  CG  . GLN A 1 33  ? 11.399  -28.134 6.102   1.000 18.670 0 33  GLN A CG  1 ? 
ATOM   236  C  CD  . GLN A 1 33  ? 12.778  -28.036 6.703   1.000 21.154 0 33  GLN A CD  1 ? 
ATOM   237  O  OE1 . GLN A 1 33  ? 13.757  -28.692 6.271   1.000 26.595 0 33  GLN A OE1 1 ? 
ATOM   238  N  NE2 . GLN A 1 33  ? 12.838  -27.171 7.681   1.000 20.869 0 33  GLN A NE2 1 ? 
ATOM   239  N  N   . TRP A 1 34  ? 9.833   -26.304 1.887   1.000 7.251  0 34  TRP A N   1 ? 
ATOM   240  C  CA  . TRP A 1 34  ? 10.060  -25.292 0.853   1.000 6.621  0 34  TRP A CA  1 ? 
ATOM   241  C  C   . TRP A 1 34  ? 8.979   -25.286 -0.213  1.000 6.472  0 34  TRP A C   1 ? 
ATOM   242  O  O   . TRP A 1 34  ? 8.535   -26.329 -0.669  1.000 6.925  0 34  TRP A O   1 ? 
ATOM   243  C  CB  . TRP A 1 34  ? 11.394  -25.510 0.149   1.000 6.986  0 34  TRP A CB  1 ? 
ATOM   244  C  CG  . TRP A 1 34  ? 12.596  -25.215 1.012   1.000 7.160  0 34  TRP A CG  1 ? 
ATOM   245  C  CD1 . TRP A 1 34  ? 13.271  -26.096 1.809   1.000 8.254  0 34  TRP A CD1 1 ? 
ATOM   246  C  CD2 . TRP A 1 34  ? 13.302  -23.968 1.104   1.000 7.141  0 34  TRP A CD2 1 ? 
ATOM   247  N  NE1 . TRP A 1 34  ? 14.301  -25.458 2.423   1.000 7.911  0 34  TRP A NE1 1 ? 
ATOM   248  C  CE2 . TRP A 1 34  ? 14.385  -24.166 1.991   1.000 7.456  0 34  TRP A CE2 1 ? 
ATOM   249  C  CE3 . TRP A 1 34  ? 13.142  -22.712 0.502   1.000 7.217  0 34  TRP A CE3 1 ? 
ATOM   250  C  CZ2 . TRP A 1 34  ? 15.302  -23.163 2.291   1.000 7.928  0 34  TRP A CZ2 1 ? 
ATOM   251  C  CZ3 . TRP A 1 34  ? 14.043  -21.716 0.810   1.000 8.419  0 34  TRP A CZ3 1 ? 
ATOM   252  C  CH2 . TRP A 1 34  ? 15.101  -21.933 1.701   1.000 8.321  0 34  TRP A CH2 1 ? 
ATOM   253  N  N   . VAL A 1 35  ? 8.618   -24.052 -0.607  1.000 6.042  0 35  VAL A N   1 ? 
ATOM   254  C  CA  . VAL A 1 35  ? 7.671   -23.749 -1.677  1.000 6.139  0 35  VAL A CA  1 ? 
ATOM   255  C  C   . VAL A 1 35  ? 8.348   -22.934 -2.764  1.000 6.419  0 35  VAL A C   1 ? 
ATOM   256  O  O   . VAL A 1 35  ? 9.122   -22.021 -2.463  1.000 6.938  0 35  VAL A O   1 ? 
ATOM   257  C  CB  . VAL A 1 35  ? 6.489   -22.985 -1.068  1.000 6.607  0 35  VAL A CB  1 ? 
ATOM   258  C  CG1 . VAL A 1 35  ? 5.610   -22.349 -2.147  1.000 6.141  0 35  VAL A CG1 1 ? 
ATOM   259  C  CG2 . VAL A 1 35  ? 5.665   -23.876 -0.162  1.000 6.942  0 35  VAL A CG2 1 ? 
ATOM   260  N  N   . VAL A 1 36  ? 8.042   -23.258 -4.029  1.000 6.399  0 36  VAL A N   1 ? 
ATOM   261  C  CA  . VAL A 1 36  ? 8.401   -22.464 -5.191  1.000 7.294  0 36  VAL A CA  1 ? 
ATOM   262  C  C   . VAL A 1 36  ? 7.184   -21.669 -5.628  1.000 6.328  0 36  VAL A C   1 ? 
ATOM   263  O  O   . VAL A 1 36  ? 6.080   -22.197 -5.788  1.000 6.761  0 36  VAL A O   1 ? 
ATOM   264  C  CB  . VAL A 1 36  ? 8.846   -23.399 -6.336  1.000 9.653  0 36  VAL A CB  1 ? 
ATOM   265  C  CG1 . VAL A 1 36  ? 8.866   -22.699 -7.706  1.000 13.361 0 36  VAL A CG1 1 ? 
ATOM   266  C  CG2 . VAL A 1 36  ? 10.177  -24.043 -6.032  1.000 11.682 0 36  VAL A CG2 1 ? 
ATOM   267  N  N   . SER A 1 37  ? 7.430   -20.388 -5.900  1.000 5.347  0 37  SER A N   1 ? 
ATOM   268  C  CA  . SER A 1 37  ? 6.402   -19.532 -6.439  1.000 5.008  0 37  SER A CA  1 ? 
ATOM   269  C  C   . SER A 1 37  ? 7.037   -18.549 -7.426  1.000 4.552  0 37  SER A C   1 ? 
ATOM   270  O  O   . SER A 1 37  ? 8.164   -18.723 -7.857  1.000 4.253  0 37  SER A O   1 ? 
ATOM   271  C  CB  . SER A 1 37  ? 5.663   -18.872 -5.279  1.000 5.121  0 37  SER A CB  1 ? 
ATOM   272  O  OG  . SER A 1 37  ? 4.567   -18.093 -5.748  1.000 5.112  0 37  SER A OG  1 ? 
ATOM   273  N  N   . ALA A 1 38  ? 6.264   -17.549 -7.857  1.000 4.353  0 38  ALA A N   1 ? 
ATOM   274  C  CA  . ALA A 1 38  ? 6.756   -16.508 -8.768  1.000 4.252  0 38  ALA A CA  1 ? 
ATOM   275  C  C   . ALA A 1 38  ? 7.355   -15.366 -7.953  1.000 4.687  0 38  ALA A C   1 ? 
ATOM   276  O  O   . ALA A 1 38  ? 6.799   -14.984 -6.923  1.000 4.960  0 38  ALA A O   1 ? 
ATOM   277  C  CB  . ALA A 1 38  ? 5.651   -15.947 -9.666  1.000 4.545  0 38  ALA A CB  1 ? 
ATOM   278  N  N   . ALA A 1 39  ? 8.491   -14.801 -8.369  1.000 4.435  0 39  ALA A N   1 ? 
ATOM   279  C  CA  . ALA A 1 39  ? 9.024   -13.626 -7.717  1.000 4.837  0 39  ALA A CA  1 ? 
ATOM   280  C  C   . ALA A 1 39  ? 8.054   -12.450 -7.701  1.000 4.670  0 39  ALA A C   1 ? 
ATOM   281  O  O   . ALA A 1 39  ? 8.076   -11.673 -6.742  1.000 5.260  0 39  ALA A O   1 ? 
ATOM   282  C  CB  . ALA A 1 39  ? 10.308  -13.184 -8.384  1.000 4.511  0 39  ALA A CB  1 ? 
ATOM   283  N  N   . HIS A 1 40  ? 7.218   -12.284 -8.728  1.000 5.033  0 40  HIS A N   1 ? 
ATOM   284  C  CA  . HIS A 1 40  ? 6.297   -11.162 -8.708  1.000 5.456  0 40  HIS A CA  1 ? 
ATOM   285  C  C   . HIS A 1 40  ? 5.204   -11.339 -7.662  1.000 6.218  0 40  HIS A C   1 ? 
ATOM   286  O  O   . HIS A 1 40  ? 4.508   -10.346 -7.405  1.000 6.868  0 40  HIS A O   1 ? 
ATOM   287  C  CB  . HIS A 1 40  ? 5.753   -10.875 -10.088 1.000 5.903  0 40  HIS A CB  1 ? 
ATOM   288  C  CG  . HIS A 1 40  ? 4.612   -11.687 -10.523 1.000 6.091  0 40  HIS A CG  1 ? 
ATOM   289  N  ND1 . HIS A 1 40  ? 4.670   -12.746 -11.399 1.000 6.160  0 40  HIS A ND1 1 ? 
ATOM   290  C  CD2 . HIS A 1 40  ? 3.299   -11.476 -10.274 1.000 6.145  0 40  HIS A CD2 1 ? 
ATOM   291  C  CE1 . HIS A 1 40  ? 3.461   -13.190 -11.624 1.000 6.585  0 40  HIS A CE1 1 ? 
ATOM   292  N  NE2 . HIS A 1 40  ? 2.561   -12.429 -10.946 1.000 6.890  0 40  HIS A NE2 1 ? 
ATOM   293  N  N   . CYS A 1 41  ? 5.125   -12.506 -7.012  1.000 6.129  0 41  CYS A N   1 ? 
ATOM   294  C  CA  . CYS A 1 41  ? 4.266   -12.728 -5.867  1.000 6.347  0 41  CYS A CA  1 ? 
ATOM   295  C  C   . CYS A 1 41  ? 4.912   -12.315 -4.547  1.000 8.311  0 41  CYS A C   1 ? 
ATOM   296  O  O   . CYS A 1 41  ? 4.239   -12.391 -3.503  1.000 10.577 0 41  CYS A O   1 ? 
ATOM   297  C  CB  . CYS A 1 41  ? 3.843   -14.198 -5.786  1.000 6.201  0 41  CYS A CB  1 ? 
ATOM   298  S  SG  . CYS A 1 41  ? 2.737   -14.726 -7.121  1.000 6.368  0 41  CYS A SG  1 ? 
ATOM   299  N  N   . TYR A 1 42  ? 6.185   -11.898 -4.533  1.000 6.816  0 42  TYR A N   1 ? 
ATOM   300  C  CA  . TYR A 1 42  ? 6.830   -11.549 -3.271  1.000 7.240  0 42  TYR A CA  1 ? 
ATOM   301  C  C   . TYR A 1 42  ? 5.985   -10.521 -2.504  1.000 7.364  0 42  TYR A C   1 ? 
ATOM   302  O  O   . TYR A 1 42  ? 5.558   -9.492  -3.046  1.000 8.554  0 42  TYR A O   1 ? 
ATOM   303  C  CB  . TYR A 1 42  ? 8.244   -10.980 -3.540  1.000 7.518  0 42  TYR A CB  1 ? 
ATOM   304  C  CG  . TYR A 1 42  ? 8.763   -10.267 -2.298  1.000 8.831  0 42  TYR A CG  1 ? 
ATOM   305  C  CD1 . TYR A 1 42  ? 9.258   -10.983 -1.223  1.000 9.721  0 42  TYR A CD1 1 ? 
ATOM   306  C  CD2 . TYR A 1 42  ? 8.658   -8.901  -2.217  1.000 9.771  0 42  TYR A CD2 1 ? 
ATOM   307  C  CE1 . TYR A 1 42  ? 9.592   -10.301 -0.059  1.000 10.337 0 42  TYR A CE1 1 ? 
ATOM   308  C  CE2 . TYR A 1 42  ? 9.003   -8.207  -1.071  1.000 11.780 0 42  TYR A CE2 1 ? 
ATOM   309  C  CZ  . TYR A 1 42  ? 9.453   -8.926  -0.001  1.000 11.702 0 42  TYR A CZ  1 ? 
ATOM   310  O  OH  . TYR A 1 42  ? 9.715   -8.111  1.096   1.000 13.587 0 42  TYR A OH  1 ? 
ATOM   311  N  N   . LYS A 1 43  ? 5.884   -10.785 -1.182  1.000 8.209  0 43  LYS A N   1 ? 
ATOM   312  C  CA  . LYS A 1 43  ? 5.555   -9.764  -0.194  1.000 10.480 0 43  LYS A CA  1 ? 
ATOM   313  C  C   . LYS A 1 43  ? 5.938   -10.294 1.176   1.000 10.781 0 43  LYS A C   1 ? 
ATOM   314  O  O   . LYS A 1 43  ? 6.232   -11.454 1.329   1.000 10.435 0 43  LYS A O   1 ? 
ATOM   315  C  CB  . LYS A 1 43  ? 4.068   -9.427  -0.206  1.000 14.353 0 43  LYS A CB  1 ? 
ATOM   316  C  CG  . LYS A 1 43  ? 3.203   -10.614 -0.034  1.000 14.660 0 43  LYS A CG  1 ? 
ATOM   317  C  CD  . LYS A 1 43  ? 1.753   -10.231 0.230   1.000 16.551 0 43  LYS A CD  1 ? 
ATOM   318  C  CE  . LYS A 1 43  ? 0.984   -9.789  -0.921  1.000 15.169 0 43  LYS A CE  1 ? 
ATOM   319  N  NZ  . LYS A 1 43  ? -0.376  -9.319  -0.546  1.000 18.071 0 43  LYS A NZ  1 ? 
ATOM   320  N  N   . SER A 1 44  ? 5.925   -9.403  2.185   1.000 12.933 0 44  SER A N   1 ? 
ATOM   321  C  CA  . SER A 1 44  ? 6.163   -9.913  3.533   1.000 15.868 0 44  SER A CA  1 ? 
ATOM   322  C  C   . SER A 1 44  ? 4.826   -10.345 4.149   1.000 14.830 0 44  SER A C   1 ? 
ATOM   323  O  O   . SER A 1 44  ? 3.772   -10.129 3.586   1.000 16.103 0 44  SER A O   1 ? 
ATOM   324  C  CB  . SER A 1 44  ? 6.872   -8.911  4.391   1.000 20.669 0 44  SER A CB  1 ? 
ATOM   325  O  OG  . SER A 1 44  ? 6.073   -7.758  4.433   1.000 21.960 0 44  SER A OG  1 ? 
ATOM   326  N  N   . GLY A 1 45  ? 4.895   -11.080 5.250   1.000 17.585 0 45  GLY A N   1 ? 
ATOM   327  C  CA  . GLY A 1 45  ? 3.682   -11.490 5.929   1.000 15.220 0 45  GLY A CA  1 ? 
ATOM   328  C  C   . GLY A 1 45  ? 2.964   -12.650 5.229   1.000 15.071 0 45  GLY A C   1 ? 
ATOM   329  O  O   . GLY A 1 45  ? 1.727   -12.705 5.254   1.000 18.308 0 45  GLY A O   1 ? 
ATOM   330  N  N   . ILE A 1 46  ? 3.735   -13.571 4.630   1.000 12.660 0 46  ILE A N   1 ? 
ATOM   331  C  CA  . ILE A 1 46  ? 3.099   -14.690 3.927   1.000 11.291 0 46  ILE A CA  1 ? 
ATOM   332  C  C   . ILE A 1 46  ? 2.825   -15.808 4.924   1.000 10.236 0 46  ILE A C   1 ? 
ATOM   333  O  O   . ILE A 1 46  ? 3.735   -16.259 5.638   1.000 10.472 0 46  ILE A O   1 ? 
ATOM   334  C  CB  . ILE A 1 46  ? 3.932   -15.191 2.721   1.000 11.072 0 46  ILE A CB  1 ? 
ATOM   335  C  CG1 . ILE A 1 46  ? 4.107   -14.042 1.701   1.000 12.482 0 46  ILE A CG1 1 ? 
ATOM   336  C  CG2 . ILE A 1 46  ? 3.375   -16.444 2.034   1.000 11.167 0 46  ILE A CG2 1 ? 
ATOM   337  C  CD1 . ILE A 1 46  ? 4.940   -14.390 0.474   1.000 13.613 0 46  ILE A CD1 1 ? 
ATOM   338  N  N   . GLN A 1 47  ? 1.582   -16.315 4.867   1.000 8.020  0 47  GLN A N   1 ? 
ATOM   339  C  CA  . GLN A 1 47  ? 1.204   -17.615 5.408   1.000 7.073  0 47  GLN A CA  1 ? 
ATOM   340  C  C   . GLN A 1 47  ? 0.979   -18.573 4.255   1.000 6.764  0 47  GLN A C   1 ? 
ATOM   341  O  O   . GLN A 1 47  ? 0.195   -18.265 3.345   1.000 6.997  0 47  GLN A O   1 ? 
ATOM   342  C  CB  . GLN A 1 47  ? -0.038  -17.559 6.303   1.000 6.885  0 47  GLN A CB  1 ? 
ATOM   343  C  CG  . GLN A 1 47  ? -0.301  -18.852 7.074   1.000 7.266  0 47  GLN A CG  1 ? 
ATOM   344  C  CD  . GLN A 1 47  ? -1.611  -18.760 7.839   1.000 8.690  0 47  GLN A CD  1 ? 
ATOM   345  O  OE1 . GLN A 1 47  ? -2.686  -18.528 7.248   1.000 8.889  0 47  GLN A OE1 1 ? 
ATOM   346  N  NE2 . GLN A 1 47  ? -1.513  -18.837 9.161   1.000 10.095 0 47  GLN A NE2 1 ? 
ATOM   347  N  N   . VAL A 1 48  ? 1.670   -19.715 4.292   1.000 6.291  0 48  VAL A N   1 ? 
ATOM   348  C  CA  . VAL A 1 48  ? 1.497   -20.759 3.302   1.000 6.566  0 48  VAL A CA  1 ? 
ATOM   349  C  C   . VAL A 1 48  ? 0.355   -21.663 3.731   1.000 6.082  0 48  VAL A C   1 ? 
ATOM   350  O  O   . VAL A 1 48  ? 0.326   -22.109 4.872   1.000 5.909  0 48  VAL A O   1 ? 
ATOM   351  C  CB  . VAL A 1 48  ? 2.799   -21.547 3.120   1.000 7.764  0 48  VAL A CB  1 ? 
ATOM   352  C  CG1 . VAL A 1 48  ? 2.580   -22.717 2.193   1.000 8.884  0 48  VAL A CG1 1 ? 
ATOM   353  C  CG2 . VAL A 1 48  ? 3.875   -20.613 2.601   1.000 8.559  0 48  VAL A CG2 1 ? 
ATOM   354  N  N   . ARG A 1 49  ? -0.614  -21.867 2.854   1.000 5.614  0 49  ARG A N   1 ? 
ATOM   355  C  CA  . ARG A 1 49  ? -1.759  -22.714 3.151   1.000 5.208  0 49  ARG A CA  1 ? 
ATOM   356  C  C   . ARG A 1 49  ? -1.745  -23.947 2.253   1.000 5.605  0 49  ARG A C   1 ? 
ATOM   357  O  O   . ARG A 1 49  ? -1.858  -23.829 1.039   1.000 5.485  0 49  ARG A O   1 ? 
ATOM   358  C  CB  . ARG A 1 49  ? -3.052  -21.910 3.024   1.000 5.269  0 49  ARG A CB  1 ? 
ATOM   359  C  CG  . ARG A 1 49  ? -3.085  -20.762 4.018   1.000 5.413  0 49  ARG A CG  1 ? 
ATOM   360  C  CD  . ARG A 1 49  ? -4.457  -20.123 4.094   1.000 5.832  0 49  ARG A CD  1 ? 
ATOM   361  N  NE  . ARG A 1 49  ? -4.517  -19.278 5.286   1.000 5.861  0 49  ARG A NE  1 ? 
ATOM   362  C  CZ  . ARG A 1 49  ? -5.647  -18.920 5.892   1.000 7.293  0 49  ARG A CZ  1 ? 
ATOM   363  N  NH1 . ARG A 1 49  ? -6.834  -19.165 5.312   1.000 7.203  0 49  ARG A NH1 1 ? 
ATOM   364  N  NH2 . ARG A 1 49  ? -5.555  -18.382 7.086   1.000 8.264  0 49  ARG A NH2 1 ? 
ATOM   365  N  N   . LEU A 1 50  ? -1.514  -25.082 2.891   1.000 6.066  0 50  LEU A N   1 ? 
ATOM   366  C  CA  . LEU A 1 50  ? -1.384  -26.380 2.243   1.000 6.576  0 50  LEU A CA  1 ? 
ATOM   367  C  C   . LEU A 1 50  ? -2.667  -27.148 2.477   1.000 6.242  0 50  LEU A C   1 ? 
ATOM   368  O  O   . LEU A 1 50  ? -3.396  -26.890 3.444   1.000 6.400  0 50  LEU A O   1 ? 
ATOM   369  C  CB  . LEU A 1 50  ? -0.207  -27.146 2.853   1.000 7.562  0 50  LEU A CB  1 ? 
ATOM   370  C  CG  . LEU A 1 50  ? 1.134   -26.408 2.840   1.000 9.412  0 50  LEU A CG  1 ? 
ATOM   371  C  CD1 . LEU A 1 50  ? 1.445   -25.716 4.139   1.000 13.300 0 50  LEU A CD1 1 ? 
ATOM   372  C  CD2 . LEU A 1 50  ? 2.214   -27.409 2.422   1.000 13.706 0 50  LEU A CD2 1 ? 
ATOM   373  N  N   . GLY A 1 51  ? -2.944  -28.126 1.621   1.000 6.736  0 51  GLY A N   1 ? 
ATOM   374  C  CA  . GLY A 1 51  ? -4.057  -29.027 1.813   1.000 6.470  0 51  GLY A CA  1 ? 
ATOM   375  C  C   . GLY A 1 51  ? -5.406  -28.334 1.590   1.000 6.615  0 51  GLY A C   1 ? 
ATOM   376  O  O   . GLY A 1 51  ? -6.466  -28.795 2.036   1.000 6.779  0 51  GLY A O   1 ? 
ATOM   377  N  N   . GLU A 1 52  ? -5.384  -27.237 0.829   1.000 5.799  0 52  GLU A N   1 ? 
ATOM   378  C  CA  . GLU A 1 52  ? -6.598  -26.461 0.563   1.000 5.763  0 52  GLU A CA  1 ? 
ATOM   379  C  C   . GLU A 1 52  ? -7.387  -27.047 -0.622  1.000 5.806  0 52  GLU A C   1 ? 
ATOM   380  O  O   . GLU A 1 52  ? -6.795  -27.344 -1.665  1.000 5.974  0 52  GLU A O   1 ? 
ATOM   381  C  CB  . GLU A 1 52  ? -6.282  -25.002 0.236   1.000 6.445  0 52  GLU A CB  1 ? 
ATOM   382  C  CG  . GLU A 1 52  ? -5.824  -24.170 1.433   1.000 6.471  0 52  GLU A CG  1 ? 
ATOM   383  C  CD  . GLU A 1 52  ? -6.989  -23.712 2.310   1.000 6.849  0 52  GLU A CD  1 ? 
ATOM   384  O  OE1 . GLU A 1 52  ? -8.063  -24.336 2.207   1.000 6.573  0 52  GLU A OE1 1 ? 
ATOM   385  O  OE2 . GLU A 1 52  ? -6.793  -22.774 3.095   1.000 6.983  0 52  GLU A OE2 1 ? 
ATOM   386  N  N   . ASP A 1 53  ? -8.730  -26.947 -0.538  1.000 5.818  0 53  ASP A N   1 ? 
ATOM   387  C  CA  . ASP A 1 53  ? -9.641  -26.967 -1.669  1.000 5.636  0 53  ASP A CA  1 ? 
ATOM   388  C  C   . ASP A 1 53  ? -10.413 -25.661 -1.626  1.000 5.890  0 53  ASP A C   1 ? 
ATOM   389  O  O   . ASP A 1 53  ? -9.991  -24.722 -2.297  1.000 6.437  0 53  ASP A O   1 ? 
ATOM   390  C  CB  . ASP A 1 53  ? -10.504 -28.207 -1.784  1.000 6.089  0 53  ASP A CB  1 ? 
ATOM   391  C  CG  . ASP A 1 53  ? -11.241 -28.257 -3.093  1.000 7.029  0 53  ASP A CG  1 ? 
ATOM   392  O  OD1 . ASP A 1 53  ? -10.569 -27.996 -4.111  1.000 7.660  0 53  ASP A OD1 1 ? 
ATOM   393  O  OD2 . ASP A 1 53  ? -12.469 -28.499 -3.065  1.000 8.007  0 53  ASP A OD2 1 ? 
ATOM   394  N  N   . ASN A 1 54  ? -11.464 -25.564 -0.818  1.000 5.705  0 54  ASN A N   1 ? 
ATOM   395  C  CA  . ASN A 1 54  ? -12.163 -24.310 -0.660  1.000 6.325  0 54  ASN A CA  1 ? 
ATOM   396  C  C   . ASN A 1 54  ? -11.349 -23.406 0.249   1.000 6.257  0 54  ASN A C   1 ? 
ATOM   397  O  O   . ASN A 1 54  ? -11.174 -23.678 1.437   1.000 6.258  0 54  ASN A O   1 ? 
ATOM   398  C  CB  . ASN A 1 54  ? -13.564 -24.551 -0.082  1.000 6.280  0 54  ASN A CB  1 ? 
ATOM   399  C  CG  . ASN A 1 54  ? -14.423 -23.332 -0.188  1.000 7.341  0 54  ASN A CG  1 ? 
ATOM   400  O  OD1 . ASN A 1 54  ? -13.965 -22.227 0.090   1.000 6.981  0 54  ASN A OD1 1 ? 
ATOM   401  N  ND2 . ASN A 1 54  ? -15.646 -23.475 -0.643  1.000 8.922  0 54  ASN A ND2 1 ? 
ATOM   402  N  N   . ILE A 1 55  ? -10.823 -22.296 -0.307  1.000 5.973  0 55  ILE A N   1 ? 
ATOM   403  C  CA  . ILE A 1 55  ? -9.972  -21.374 0.438   1.000 5.492  0 55  ILE A CA  1 ? 
ATOM   404  C  C   . ILE A 1 55  ? -10.751 -20.498 1.411   1.000 5.622  0 55  ILE A C   1 ? 
ATOM   405  O  O   . ILE A 1 55  ? -10.135 -19.808 2.228   1.000 6.064  0 55  ILE A O   1 ? 
ATOM   406  C  CB  . ILE A 1 55  ? -9.094  -20.503 -0.470  1.000 5.826  0 55  ILE A CB  1 ? 
ATOM   407  C  CG1 . ILE A 1 55  ? -9.905  -19.786 -1.553  1.000 5.985  0 55  ILE A CG1 1 ? 
ATOM   408  C  CG2 . ILE A 1 55  ? -7.952  -21.350 -1.007  1.000 5.825  0 55  ILE A CG2 1 ? 
ATOM   409  C  CD1 . ILE A 1 55  ? -9.111  -18.698 -2.277  1.000 6.524  0 55  ILE A CD1 1 ? 
ATOM   410  N  N   . ASN A 1 56  ? -12.086 -20.604 1.401   1.000 5.307  0 56  ASN A N   1 ? 
ATOM   411  C  CA  . ASN A 1 56  ? -12.907 -19.849 2.321   1.000 5.962  0 56  ASN A CA  1 ? 
ATOM   412  C  C   . ASN A 1 56  ? -13.582 -20.710 3.384   1.000 6.517  0 56  ASN A C   1 ? 
ATOM   413  O  O   . ASN A 1 56  ? -14.363 -20.146 4.137   1.000 7.544  0 56  ASN A O   1 ? 
ATOM   414  C  CB  . ASN A 1 56  ? -13.948 -19.041 1.545   1.000 6.835  0 56  ASN A CB  1 ? 
ATOM   415  C  CG  . ASN A 1 56  ? -13.360 -17.770 0.992   1.000 8.094  0 56  ASN A CG  1 ? 
ATOM   416  O  OD1 . ASN A 1 56  ? -12.609 -17.064 1.684   1.000 7.616  0 56  ASN A OD1 1 ? 
ATOM   417  N  ND2 . ASN A 1 56  ? -13.695 -17.460 -0.248  1.000 11.384 0 56  ASN A ND2 1 ? 
ATOM   418  N  N   . VAL A 1 57  ? -13.361 -22.024 3.401   1.000 6.623  0 57  VAL A N   1 ? 
ATOM   419  C  CA  . VAL A 1 57  ? -13.968 -22.923 4.371   1.000 7.016  0 57  VAL A CA  1 ? 
ATOM   420  C  C   . VAL A 1 57  ? -12.887 -23.833 4.926   1.000 6.763  0 57  VAL A C   1 ? 
ATOM   421  O  O   . VAL A 1 57  ? -12.139 -24.418 4.138   1.000 7.080  0 57  VAL A O   1 ? 
ATOM   422  C  CB  . VAL A 1 57  ? -15.090 -23.744 3.685   1.000 6.876  0 57  VAL A CB  1 ? 
ATOM   423  C  CG1 . VAL A 1 57  ? -15.739 -24.757 4.645   1.000 7.037  0 57  VAL A CG1 1 ? 
ATOM   424  C  CG2 . VAL A 1 57  ? -16.137 -22.840 3.025   1.000 6.851  0 57  VAL A CG2 1 ? 
ATOM   425  N  N   . VAL A 1 58  ? -12.841 -24.029 6.240   1.000 6.127  0 58  VAL A N   1 ? 
ATOM   426  C  CA  . VAL A 1 58  ? -11.970 -25.036 6.844   1.000 6.975  0 58  VAL A CA  1 ? 
ATOM   427  C  C   . VAL A 1 58  ? -12.630 -26.406 6.719   1.000 7.512  0 58  VAL A C   1 ? 
ATOM   428  O  O   . VAL A 1 58  ? -13.709 -26.633 7.282   1.000 9.834  0 58  VAL A O   1 ? 
ATOM   429  C  CB  . VAL A 1 58  ? -11.680 -24.702 8.308   1.000 7.741  0 58  VAL A CB  1 ? 
ATOM   430  C  CG1 . VAL A 1 58  ? -10.827 -25.804 8.949   1.000 8.623  0 58  VAL A CG1 1 ? 
ATOM   431  C  CG2 . VAL A 1 58  ? -11.049 -23.337 8.474   1.000 7.160  0 58  VAL A CG2 1 ? 
ATOM   432  N  N   . GLU A 1 59  ? -12.004 -27.253 5.875   1.000 6.868  0 59  GLU A N   1 ? 
ATOM   433  C  CA  . GLU A 1 59  ? -12.597 -28.509 5.471   1.000 7.764  0 59  GLU A CA  1 ? 
ATOM   434  C  C   . GLU A 1 59  ? -11.898 -29.683 6.128   1.000 9.126  0 59  GLU A C   1 ? 
ATOM   435  O  O   . GLU A 1 59  ? -12.420 -30.799 6.006   1.000 11.729 0 59  GLU A O   1 ? 
ATOM   436  C  CB  . GLU A 1 59  ? -12.650 -28.700 3.958   1.000 7.763  0 59  GLU A CB  1 ? 
ATOM   437  C  CG  . GLU A 1 59  ? -13.424 -27.597 3.259   1.000 8.008  0 59  GLU A CG  1 ? 
ATOM   438  C  CD  . GLU A 1 59  ? -13.463 -27.671 1.735   1.000 9.642  0 59  GLU A CD  1 ? 
ATOM   439  O  OE1 . GLU A 1 59  ? -12.374 -27.520 1.110   1.000 8.018  0 59  GLU A OE1 1 ? 
ATOM   440  O  OE2 . GLU A 1 59  ? -14.560 -27.828 1.113   1.000 12.797 0 59  GLU A OE2 1 ? 
ATOM   441  N  N   . GLY A 1 60  ? -10.710 -29.512 6.718   1.000 8.975  0 60  GLY A N   1 ? 
ATOM   442  C  CA  . GLY A 1 60  ? -10.152 -30.558 7.547   1.000 9.908  0 60  GLY A CA  1 ? 
ATOM   443  C  C   . GLY A 1 60  ? -8.787  -31.090 7.128   1.000 10.654 0 60  GLY A C   1 ? 
ATOM   444  O  O   . GLY A 1 60  ? -8.233  -31.929 7.833   1.000 13.703 0 60  GLY A O   1 ? 
ATOM   445  N  N   . ASN A 1 61  ? -8.237  -30.669 5.985   1.000 9.329  0 61  ASN A N   1 ? 
ATOM   446  C  CA  . ASN A 1 61  ? -6.961  -31.199 5.542   1.000 9.773  0 61  ASN A CA  1 ? 
ATOM   447  C  C   . ASN A 1 61  ? -5.913  -30.094 5.445   1.000 8.666  0 61  ASN A C   1 ? 
ATOM   448  O  O   . ASN A 1 61  ? -4.802  -30.332 4.971   1.000 9.088  0 61  ASN A O   1 ? 
ATOM   449  C  CB  . ASN A 1 61  ? -7.116  -31.951 4.223   1.000 11.041 0 61  ASN A CB  1 ? 
ATOM   450  C  CG  . ASN A 1 61  ? -7.938  -33.202 4.394   1.000 12.664 0 61  ASN A CG  1 ? 
ATOM   451  O  OD1 . ASN A 1 61  ? -7.496  -34.124 5.096   1.000 16.385 0 61  ASN A OD1 1 ? 
ATOM   452  N  ND2 . ASN A 1 61  ? -9.115  -33.248 3.813   1.000 14.261 0 61  ASN A ND2 1 ? 
ATOM   453  N  N   . GLU A 1 62  ? -6.286  -28.900 5.876   1.000 7.920  0 62  GLU A N   1 ? 
ATOM   454  C  CA  . GLU A 1 62  ? -5.388  -27.762 5.814   1.000 7.889  0 62  GLU A CA  1 ? 
ATOM   455  C  C   . GLU A 1 62  ? -4.198  -27.881 6.757   1.000 8.590  0 62  GLU A C   1 ? 
ATOM   456  O  O   . GLU A 1 62  ? -4.319  -28.385 7.871   1.000 9.336  0 62  GLU A O   1 ? 
ATOM   457  C  CB  . GLU A 1 62  ? -6.061  -26.433 6.143   1.000 7.420  0 62  GLU A CB  1 ? 
ATOM   458  C  CG  . GLU A 1 62  ? -7.210  -26.100 5.186   1.000 8.045  0 62  GLU A CG  1 ? 
ATOM   459  C  CD  . GLU A 1 62  ? -8.596  -26.598 5.579   1.000 7.944  0 62  GLU A CD  1 ? 
ATOM   460  O  OE1 . GLU A 1 62  ? -8.716  -27.435 6.491   1.000 7.920  0 62  GLU A OE1 1 ? 
ATOM   461  O  OE2 . GLU A 1 62  ? -9.551  -26.158 4.926   1.000 7.027  0 62  GLU A OE2 1 ? 
ATOM   462  N  N   . GLN A 1 63  ? -3.062  -27.309 6.326   1.000 7.749  0 63  GLN A N   1 ? 
ATOM   463  C  CA  . GLN A 1 63  ? -1.949  -26.952 7.202   1.000 7.697  0 63  GLN A CA  1 ? 
ATOM   464  C  C   . GLN A 1 63  ? -1.573  -25.510 6.901   1.000 7.484  0 63  GLN A C   1 ? 
ATOM   465  O  O   . GLN A 1 63  ? -1.308  -25.194 5.735   1.000 7.684  0 63  GLN A O   1 ? 
ATOM   466  C  CB  . GLN A 1 63  ? -0.747  -27.865 7.012   1.000 8.715  0 63  GLN A CB  1 ? 
ATOM   467  C  CG  . GLN A 1 63  ? -1.063  -29.320 7.345   1.000 8.517  0 63  GLN A CG  1 ? 
ATOM   468  C  CD  . GLN A 1 63  ? 0.118   -30.230 7.054   1.000 9.190  0 63  GLN A CD  1 ? 
ATOM   469  O  OE1 . GLN A 1 63  ? 1.252   -29.934 7.474   1.000 10.913 0 63  GLN A OE1 1 ? 
ATOM   470  N  NE2 . GLN A 1 63  ? -0.162  -31.342 6.378   1.000 9.791  0 63  GLN A NE2 1 ? 
ATOM   471  N  N   . PHE A 1 64  ? -1.631  -24.626 7.902   1.000 7.538  0 64  PHE A N   1 ? 
ATOM   472  C  CA  . PHE A 1 64  ? -1.277  -23.229 7.728   1.000 7.835  0 64  PHE A CA  1 ? 
ATOM   473  C  C   . PHE A 1 64  ? 0.066   -22.999 8.410   1.000 8.864  0 64  PHE A C   1 ? 
ATOM   474  O  O   . PHE A 1 64  ? 0.160   -23.244 9.623   1.000 10.161 0 64  PHE A O   1 ? 
ATOM   475  C  CB  . PHE A 1 64  ? -2.321  -22.368 8.404   1.000 8.480  0 64  PHE A CB  1 ? 
ATOM   476  C  CG  . PHE A 1 64  ? -3.721  -22.383 7.823   1.000 8.730  0 64  PHE A CG  1 ? 
ATOM   477  C  CD1 . PHE A 1 64  ? -4.054  -22.990 6.627   1.000 8.860  0 64  PHE A CD1 1 ? 
ATOM   478  C  CD2 . PHE A 1 64  ? -4.719  -21.669 8.491   1.000 10.264 0 64  PHE A CD2 1 ? 
ATOM   479  C  CE1 . PHE A 1 64  ? -5.370  -22.921 6.147   1.000 8.602  0 64  PHE A CE1 1 ? 
ATOM   480  C  CE2 . PHE A 1 64  ? -6.024  -21.617 8.019   1.000 10.496 0 64  PHE A CE2 1 ? 
ATOM   481  C  CZ  . PHE A 1 64  ? -6.347  -22.283 6.875   1.000 9.876  0 64  PHE A CZ  1 ? 
ATOM   482  N  N   . ILE A 1 65  ? 1.089   -22.544 7.674   1.000 8.158  0 65  ILE A N   1 ? 
ATOM   483  C  CA  . ILE A 1 65  ? 2.439   -22.445 8.198   1.000 8.254  0 65  ILE A CA  1 ? 
ATOM   484  C  C   . ILE A 1 65  ? 3.017   -21.128 7.700   1.000 7.277  0 65  ILE A C   1 ? 
ATOM   485  O  O   . ILE A 1 65  ? 3.028   -20.864 6.494   1.000 7.284  0 65  ILE A O   1 ? 
ATOM   486  C  CB  . ILE A 1 65  ? 3.296   -23.642 7.761   1.000 7.718  0 65  ILE A CB  1 ? 
ATOM   487  C  CG1 . ILE A 1 65  ? 2.664   -24.988 8.131   1.000 8.880  0 65  ILE A CG1 1 ? 
ATOM   488  C  CG2 . ILE A 1 65  ? 4.683   -23.485 8.389   1.000 7.212  0 65  ILE A CG2 1 ? 
ATOM   489  C  CD1 . ILE A 1 65  ? 3.371   -26.188 7.563   1.000 9.013  0 65  ILE A CD1 1 ? 
ATOM   490  N  N   . SER A 1 66  ? 3.483   -20.273 8.620   1.000 8.426  0 66  SER A N   1 ? 
ATOM   491  C  CA  . SER A 1 66  ? 4.117   -19.009 8.261   1.000 9.427  0 66  SER A CA  1 ? 
ATOM   492  C  C   . SER A 1 66  ? 5.432   -19.227 7.515   1.000 8.845  0 66  SER A C   1 ? 
ATOM   493  O  O   . SER A 1 66  ? 6.165   -20.176 7.791   1.000 8.965  0 66  SER A O   1 ? 
ATOM   494  C  CB  . SER A 1 66  ? 4.434   -18.198 9.450   1.000 12.064 0 66  SER A CB  1 ? 
ATOM   495  O  OG  . SER A 1 66  ? 3.283   -17.882 10.201  1.000 14.698 0 66  SER A OG  1 ? 
ATOM   496  N  N   . ALA A 1 67  ? 5.698   -18.328 6.562   1.000 9.013  0 67  ALA A N   1 ? 
ATOM   497  C  CA  . ALA A 1 67  ? 7.023   -18.294 5.951   1.000 10.224 0 67  ALA A CA  1 ? 
ATOM   498  C  C   . ALA A 1 67  ? 8.021   -17.771 6.978   1.000 10.685 0 67  ALA A C   1 ? 
ATOM   499  O  O   . ALA A 1 67  ? 7.730   -16.807 7.699   1.000 13.004 0 67  ALA A O   1 ? 
ATOM   500  C  CB  . ALA A 1 67  ? 7.026   -17.446 4.717   1.000 10.996 0 67  ALA A CB  1 ? 
ATOM   501  N  N   . SER A 1 68  ? 9.196   -18.388 7.016   1.000 10.628 0 68  SER A N   1 ? 
ATOM   502  C  CA  . SER A 1 68  ? 10.304  -17.872 7.799   1.000 11.871 0 68  SER A CA  1 ? 
ATOM   503  C  C   . SER A 1 68  ? 11.258  -17.056 6.944   1.000 11.093 0 68  SER A C   1 ? 
ATOM   504  O  O   . SER A 1 68  ? 11.975  -16.213 7.460   1.000 10.004 0 68  SER A O   1 ? 
ATOM   505  C  CB  . SER A 1 68  ? 11.101  -18.962 8.429   1.000 12.774 0 68  SER A CB  1 ? 
ATOM   506  O  OG  . SER A 1 68  ? 11.549  -19.910 7.489   1.000 15.059 0 68  SER A OG  1 ? 
ATOM   507  N  N   . LYS A 1 69  ? 11.344  -17.352 5.653   1.000 10.383 0 69  LYS A N   1 ? 
ATOM   508  C  CA  . LYS A 1 69  ? 12.264  -16.638 4.781   1.000 11.097 0 69  LYS A CA  1 ? 
ATOM   509  C  C   . LYS A 1 69  ? 11.754  -16.714 3.350   1.000 9.141  0 69  LYS A C   1 ? 
ATOM   510  O  O   . LYS A 1 69  ? 11.207  -17.738 2.929   1.000 10.497 0 69  LYS A O   1 ? 
ATOM   511  C  CB  . LYS A 1 69  ? 13.656  -17.276 4.875   1.000 14.235 0 69  LYS A CB  1 ? 
ATOM   512  C  CG  . LYS A 1 69  ? 14.755  -16.719 4.007   1.000 18.018 0 69  LYS A CG  1 ? 
ATOM   513  C  CD  . LYS A 1 69  ? 16.037  -17.545 4.053   1.000 17.180 0 69  LYS A CD  1 ? 
ATOM   514  C  CE  . LYS A 1 69  ? 16.767  -17.444 5.350   1.000 19.197 0 69  LYS A CE  1 ? 
ATOM   515  N  NZ  . LYS A 1 69  ? 18.193  -17.776 5.220   1.000 18.933 0 69  LYS A NZ  1 ? 
ATOM   516  N  N   . SER A 1 70  ? 11.913  -15.624 2.629   1.000 8.112  0 70  SER A N   1 ? 
ATOM   517  C  CA  . SER A 1 70  ? 11.631  -15.593 1.206   1.000 8.584  0 70  SER A CA  1 ? 
ATOM   518  C  C   . SER A 1 70  ? 12.921  -15.268 0.457   1.000 8.065  0 70  SER A C   1 ? 
ATOM   519  O  O   . SER A 1 70  ? 13.710  -14.470 0.957   1.000 8.095  0 70  SER A O   1 ? 
ATOM   520  C  CB  . SER A 1 70  ? 10.563  -14.615 0.911   1.000 12.173 0 70  SER A CB  1 ? 
ATOM   521  O  OG  . SER A 1 70  ? 9.356   -15.133 1.445   1.000 16.597 0 70  SER A OG  1 ? 
ATOM   522  N  N   . ILE A 1 71  ? 13.137  -15.938 -0.672  1.000 6.545  0 71  ILE A N   1 ? 
ATOM   523  C  CA  . ILE A 1 71  ? 14.312  -15.713 -1.522  1.000 6.187  0 71  ILE A CA  1 ? 
ATOM   524  C  C   . ILE A 1 71  ? 13.881  -15.535 -2.967  1.000 6.144  0 71  ILE A C   1 ? 
ATOM   525  O  O   . ILE A 1 71  ? 13.561  -16.498 -3.646  1.000 6.096  0 71  ILE A O   1 ? 
ATOM   526  C  CB  . ILE A 1 71  ? 15.351  -16.838 -1.426  1.000 6.315  0 71  ILE A CB  1 ? 
ATOM   527  C  CG1 . ILE A 1 71  ? 15.699  -17.130 0.056   1.000 7.157  0 71  ILE A CG1 1 ? 
ATOM   528  C  CG2 . ILE A 1 71  ? 16.596  -16.514 -2.289  1.000 6.605  0 71  ILE A CG2 1 ? 
ATOM   529  C  CD1 . ILE A 1 71  ? 16.540  -18.367 0.266   1.000 8.631  0 71  ILE A CD1 1 ? 
ATOM   530  N  N   . VAL A 1 72  ? 13.829  -14.280 -3.386  1.000 5.384  0 72  VAL A N   1 ? 
ATOM   531  C  CA  . VAL A 1 72  ? 13.619  -13.961 -4.785  1.000 5.091  0 72  VAL A CA  1 ? 
ATOM   532  C  C   . VAL A 1 72  ? 14.889  -14.276 -5.561  1.000 5.039  0 72  VAL A C   1 ? 
ATOM   533  O  O   . VAL A 1 72  ? 15.991  -14.073 -5.054  1.000 5.746  0 72  VAL A O   1 ? 
ATOM   534  C  CB  . VAL A 1 72  ? 13.209  -12.481 -4.882  1.000 5.597  0 72  VAL A CB  1 ? 
ATOM   535  C  CG1 . VAL A 1 72  ? 13.293  -11.962 -6.307  1.000 6.461  0 72  VAL A CG1 1 ? 
ATOM   536  C  CG2 . VAL A 1 72  ? 11.820  -12.250 -4.314  1.000 5.870  0 72  VAL A CG2 1 ? 
ATOM   537  N  N   . HIS A 1 73  ? 14.747  -14.796 -6.784  1.000 4.913  0 73  HIS A N   1 ? 
ATOM   538  C  CA  . HIS A 1 73  ? 15.882  -15.150 -7.615  1.000 5.175  0 73  HIS A CA  1 ? 
ATOM   539  C  C   . HIS A 1 73  ? 16.845  -13.957 -7.647  1.000 5.662  0 73  HIS A C   1 ? 
ATOM   540  O  O   . HIS A 1 73  ? 16.422  -12.809 -7.835  1.000 5.709  0 73  HIS A O   1 ? 
ATOM   541  C  CB  . HIS A 1 73  ? 15.400  -15.525 -9.036  1.000 5.651  0 73  HIS A CB  1 ? 
ATOM   542  C  CG  . HIS A 1 73  ? 16.505  -16.173 -9.788  1.000 5.874  0 73  HIS A CG  1 ? 
ATOM   543  N  ND1 . HIS A 1 73  ? 17.450  -15.467 -10.503 1.000 6.678  0 73  HIS A ND1 1 ? 
ATOM   544  C  CD2 . HIS A 1 73  ? 16.847  -17.486 -9.874  1.000 6.139  0 73  HIS A CD2 1 ? 
ATOM   545  C  CE1 . HIS A 1 73  ? 18.358  -16.323 -10.967 1.000 6.627  0 73  HIS A CE1 1 ? 
ATOM   546  N  NE2 . HIS A 1 73  ? 17.982  -17.576 -10.599 1.000 7.302  0 73  HIS A NE2 1 ? 
ATOM   547  N  N   . PRO A 1 74  ? 18.160  -14.189 -7.593  1.000 6.252  0 74  PRO A N   1 ? 
ATOM   548  C  CA  . PRO A 1 74  ? 19.127  -13.091 -7.662  1.000 6.429  0 74  PRO A CA  1 ? 
ATOM   549  C  C   . PRO A 1 74  ? 18.981  -12.189 -8.865  1.000 6.719  0 74  PRO A C   1 ? 
ATOM   550  O  O   . PRO A 1 74  ? 19.250  -11.008 -8.717  1.000 7.478  0 74  PRO A O   1 ? 
ATOM   551  C  CB  . PRO A 1 74  ? 20.484  -13.782 -7.724  1.000 7.237  0 74  PRO A CB  1 ? 
ATOM   552  C  CG  . PRO A 1 74  ? 20.198  -15.184 -7.933  1.000 8.221  0 74  PRO A CG  1 ? 
ATOM   553  C  CD  . PRO A 1 74  ? 18.812  -15.481 -7.347  1.000 6.699  0 74  PRO A CD  1 ? 
ATOM   554  N  N   . SER A 1 75  ? 18.542  -12.734 -9.994  1.000 6.049  0 75  SER A N   1 ? 
ATOM   555  C  CA  . SER A 1 75  ? 18.456  -12.004 -11.256 1.000 6.456  0 75  SER A CA  1 ? 
ATOM   556  C  C   . SER A 1 75  ? 17.029  -11.657 -11.675 1.000 5.967  0 75  SER A C   1 ? 
ATOM   557  O  O   . SER A 1 75  ? 16.796  -11.278 -12.837 1.000 6.224  0 75  SER A O   1 ? 
ATOM   558  C  CB  . SER A 1 75  ? 19.189  -12.782 -12.341 1.000 7.683  0 75  SER A CB  1 ? 
ATOM   559  O  OG  . SER A 1 75  ? 20.547  -13.000 -11.959 1.000 10.234 0 75  SER A OG  1 ? 
ATOM   560  N  N   . TYR A 1 76  ? 16.085  -11.718 -10.747 1.000 5.138  0 76  TYR A N   1 ? 
ATOM   561  C  CA  . TYR A 1 76  ? 14.702  -11.356 -11.098 1.000 5.170  0 76  TYR A CA  1 ? 
ATOM   562  C  C   . TYR A 1 76  ? 14.683  -9.896  -11.570 1.000 5.449  0 76  TYR A C   1 ? 
ATOM   563  O  O   . TYR A 1 76  ? 15.205  -9.003  -10.876 1.000 6.129  0 76  TYR A O   1 ? 
ATOM   564  C  CB  . TYR A 1 76  ? 13.774  -11.517 -9.893  1.000 4.962  0 76  TYR A CB  1 ? 
ATOM   565  C  CG  . TYR A 1 76  ? 12.391  -10.934 -10.098 1.000 4.870  0 76  TYR A CG  1 ? 
ATOM   566  C  CD1 . TYR A 1 76  ? 11.632  -11.387 -11.160 1.000 4.905  0 76  TYR A CD1 1 ? 
ATOM   567  C  CD2 . TYR A 1 76  ? 11.834  -9.998  -9.219  1.000 4.922  0 76  TYR A CD2 1 ? 
ATOM   568  C  CE1 . TYR A 1 76  ? 10.346  -10.917 -11.351 1.000 5.297  0 76  TYR A CE1 1 ? 
ATOM   569  C  CE2 . TYR A 1 76  ? 10.541  -9.544  -9.411  1.000 5.300  0 76  TYR A CE2 1 ? 
ATOM   570  C  CZ  . TYR A 1 76  ? 9.819   -9.983  -10.495 1.000 5.532  0 76  TYR A CZ  1 ? 
ATOM   571  O  OH  . TYR A 1 76  ? 8.532   -9.531  -10.685 1.000 6.418  0 76  TYR A OH  1 ? 
ATOM   572  N  N   . ASN A 1 77  ? 14.020  -9.664  -12.711 1.000 5.232  0 77  ASN A N   1 ? 
ATOM   573  C  CA  . ASN A 1 77  ? 13.752  -8.336  -13.238 1.000 5.773  0 77  ASN A CA  1 ? 
ATOM   574  C  C   . ASN A 1 77  ? 12.238  -8.160  -13.313 1.000 5.968  0 77  ASN A C   1 ? 
ATOM   575  O  O   . ASN A 1 77  ? 11.561  -8.840  -14.094 1.000 5.544  0 77  ASN A O   1 ? 
ATOM   576  C  CB  . ASN A 1 77  ? 14.405  -8.184  -14.603 1.000 6.160  0 77  ASN A CB  1 ? 
ATOM   577  C  CG  . ASN A 1 77  ? 14.199  -6.807  -15.180 1.000 7.824  0 77  ASN A CG  1 ? 
ATOM   578  O  OD1 . ASN A 1 77  ? 13.080  -6.316  -15.202 1.000 8.379  0 77  ASN A OD1 1 ? 
ATOM   579  N  ND2 . ASN A 1 77  ? 15.251  -6.135  -15.596 1.000 9.428  0 77  ASN A ND2 1 ? 
ATOM   580  N  N   . SER A 1 78  ? 11.717  -7.252  -12.500 1.000 6.064  0 78  SER A N   1 ? 
ATOM   581  C  CA  . SER A 1 78  ? 10.276  -7.062  -12.391 1.000 6.125  0 78  SER A CA  1 ? 
ATOM   582  C  C   . SER A 1 78  ? 9.690   -6.353  -13.604 1.000 7.011  0 78  SER A C   1 ? 
ATOM   583  O  O   . SER A 1 78  ? 8.468   -6.368  -13.765 1.000 8.803  0 78  SER A O   1 ? 
ATOM   584  C  CB  . SER A 1 78  ? 9.935   -6.337  -11.126 1.000 7.071  0 78  SER A CB  1 ? 
ATOM   585  O  OG  . SER A 1 78  ? 10.562  -5.071  -11.075 1.000 9.387  0 78  SER A OG  1 ? 
ATOM   586  N  N   . ASN A 1 79  ? 10.532  -5.683  -14.382 1.000 6.445  0 79  ASN A N   1 ? 
ATOM   587  C  CA  . ASN A 1 79  ? 10.040  -5.025  -15.600 1.000 6.925  0 79  ASN A CA  1 ? 
ATOM   588  C  C   . ASN A 1 79  ? 9.789   -6.019  -16.734 1.000 7.091  0 79  ASN A C   1 ? 
ATOM   589  O  O   . ASN A 1 79  ? 8.742   -5.965  -17.403 1.000 9.324  0 79  ASN A O   1 ? 
ATOM   590  C  CB  . ASN A 1 79  ? 10.969  -3.901  -16.054 1.000 6.955  0 79  ASN A CB  1 ? 
ATOM   591  C  CG  . ASN A 1 79  ? 11.014  -2.769  -15.060 1.000 6.954  0 79  ASN A CG  1 ? 
ATOM   592  O  OD1 . ASN A 1 79  ? 9.985   -2.453  -14.453 1.000 8.499  0 79  ASN A OD1 1 ? 
ATOM   593  N  ND2 . ASN A 1 79  ? 12.199  -2.236  -14.861 1.000 8.430  0 79  ASN A ND2 1 ? 
ATOM   594  N  N   . THR A 1 80  ? 10.724  -6.966  -16.938 1.000 6.152  0 80  THR A N   1 ? 
ATOM   595  C  CA  . THR A 1 80  ? 10.620  -7.963  -18.008 1.000 6.449  0 80  THR A CA  1 ? 
ATOM   596  C  C   . THR A 1 80  ? 10.052  -9.287  -17.558 1.000 6.324  0 80  THR A C   1 ? 
ATOM   597  O  O   . THR A 1 80  ? 9.639   -10.086 -18.401 1.000 7.385  0 80  THR A O   1 ? 
ATOM   598  C  CB  . THR A 1 80  ? 11.988  -8.216  -18.604 1.000 6.400  0 80  THR A CB  1 ? 
ATOM   599  O  OG1 . THR A 1 80  ? 12.798  -8.774  -17.570 1.000 6.463  0 80  THR A OG1 1 ? 
ATOM   600  C  CG2 . THR A 1 80  ? 12.663  -6.969  -19.134 1.000 6.058  0 80  THR A CG2 1 ? 
ATOM   601  N  N   . LEU A 1 81  ? 9.973   -9.489  -16.245 1.000 5.977  0 81  LEU A N   1 ? 
ATOM   602  C  CA  . LEU A 1 81  ? 9.604   -10.739 -15.582 1.000 5.862  0 81  LEU A CA  1 ? 
ATOM   603  C  C   . LEU A 1 81  ? 10.595  -11.862 -15.911 1.000 5.584  0 81  LEU A C   1 ? 
ATOM   604  O  O   . LEU A 1 81  ? 10.333  -13.030 -15.642 1.000 5.555  0 81  LEU A O   1 ? 
ATOM   605  C  CB  . LEU A 1 81  ? 8.151   -11.135 -15.835 1.000 6.451  0 81  LEU A CB  1 ? 
ATOM   606  C  CG  . LEU A 1 81  ? 7.112   -10.113 -15.345 1.000 7.510  0 81  LEU A CG  1 ? 
ATOM   607  C  CD1 . LEU A 1 81  ? 5.703   -10.555 -15.617 1.000 7.984  0 81  LEU A CD1 1 ? 
ATOM   608  C  CD2 . LEU A 1 81  ? 7.254   -9.842  -13.859 1.000 9.154  0 81  LEU A CD2 1 ? 
ATOM   609  N  N   . ASN A 1 82  ? 11.793  -11.532 -16.373 1.000 5.275  0 82  ASN A N   1 ? 
ATOM   610  C  CA  . ASN A 1 82  ? 12.834  -12.531 -16.524 1.000 5.153  0 82  ASN A CA  1 ? 
ATOM   611  C  C   . ASN A 1 82  ? 13.221  -13.052 -15.146 1.000 5.296  0 82  ASN A C   1 ? 
ATOM   612  O  O   . ASN A 1 82  ? 13.421  -12.288 -14.194 1.000 5.659  0 82  ASN A O   1 ? 
ATOM   613  C  CB  . ASN A 1 82  ? 14.051  -11.977 -17.260 1.000 5.209  0 82  ASN A CB  1 ? 
ATOM   614  C  CG  . ASN A 1 82  ? 14.953  -13.063 -17.801 1.000 5.853  0 82  ASN A CG  1 ? 
ATOM   615  O  OD1 . ASN A 1 82  ? 14.487  -14.168 -18.118 1.000 5.724  0 82  ASN A OD1 1 ? 
ATOM   616  N  ND2 . ASN A 1 82  ? 16.225  -12.736 -17.981 1.000 7.148  0 82  ASN A ND2 1 ? 
ATOM   617  N  N   . ASN A 1 83  ? 13.356  -14.382 -15.026 1.000 4.793  0 83  ASN A N   1 ? 
ATOM   618  C  CA  . ASN A 1 83  ? 13.704  -15.039 -13.763 1.000 5.154  0 83  ASN A CA  1 ? 
ATOM   619  C  C   . ASN A 1 83  ? 12.612  -14.840 -12.701 1.000 5.233  0 83  ASN A C   1 ? 
ATOM   620  O  O   . ASN A 1 83  ? 12.877  -14.584 -11.535 1.000 5.181  0 83  ASN A O   1 ? 
ATOM   621  C  CB  . ASN A 1 83  ? 15.060  -14.620 -13.194 1.000 5.035  0 83  ASN A CB  1 ? 
ATOM   622  C  CG  . ASN A 1 83  ? 16.187  -14.745 -14.192 1.000 5.508  0 83  ASN A CG  1 ? 
ATOM   623  O  OD1 . ASN A 1 83  ? 16.541  -15.837 -14.640 1.000 6.402  0 83  ASN A OD1 1 ? 
ATOM   624  N  ND2 . ASN A 1 83  ? 16.713  -13.620 -14.615 1.000 6.202  0 83  ASN A ND2 1 ? 
ATOM   625  N  N   . ASP A 1 84  ? 11.350  -15.102 -13.071 1.000 4.873  0 84  ASP A N   1 ? 
ATOM   626  C  CA  . ASP A 1 84  ? 10.188  -14.906 -12.212 1.000 4.641  0 84  ASP A CA  1 ? 
ATOM   627  C  C   . ASP A 1 84  ? 9.970   -16.151 -11.357 1.000 4.447  0 84  ASP A C   1 ? 
ATOM   628  O  O   . ASP A 1 84  ? 9.066   -16.962 -11.581 1.000 4.486  0 84  ASP A O   1 ? 
ATOM   629  C  CB  . ASP A 1 84  ? 8.944   -14.558 -13.026 1.000 4.693  0 84  ASP A CB  1 ? 
ATOM   630  C  CG  . ASP A 1 84  ? 7.779   -14.094 -12.180 1.000 4.777  0 84  ASP A CG  1 ? 
ATOM   631  O  OD1 . ASP A 1 84  ? 8.035   -13.797 -11.006 1.000 5.306  0 84  ASP A OD1 1 ? 
ATOM   632  O  OD2 . ASP A 1 84  ? 6.628   -14.001 -12.705 1.000 4.682  0 84  ASP A OD2 1 ? 
ATOM   633  N  N   . ILE A 1 85  ? 10.810  -16.258 -10.336 1.000 4.704  0 85  ILE A N   1 ? 
ATOM   634  C  CA  . ILE A 1 85  ? 10.845  -17.409 -9.437  1.000 5.042  0 85  ILE A CA  1 ? 
ATOM   635  C  C   . ILE A 1 85  ? 11.333  -16.957 -8.070  1.000 5.128  0 85  ILE A C   1 ? 
ATOM   636  O  O   . ILE A 1 85  ? 12.231  -16.112 -7.963  1.000 4.767  0 85  ILE A O   1 ? 
ATOM   637  C  CB  . ILE A 1 85  ? 11.690  -18.542 -10.035 1.000 5.794  0 85  ILE A CB  1 ? 
ATOM   638  C  CG1 . ILE A 1 85  ? 11.568  -19.823 -9.201  1.000 5.761  0 85  ILE A CG1 1 ? 
ATOM   639  C  CG2 . ILE A 1 85  ? 13.171  -18.171 -10.270 1.000 5.825  0 85  ILE A CG2 1 ? 
ATOM   640  C  CD1 . ILE A 1 85  ? 12.158  -21.062 -9.884  1.000 6.448  0 85  ILE A CD1 1 ? 
ATOM   641  N  N   . MET A 1 86  ? 10.729  -17.548 -7.052  1.000 5.197  0 86  MET A N   1 ? 
ATOM   642  C  CA  . MET A 1 86  ? 11.132  -17.313 -5.670  1.000 6.080  0 86  MET A CA  1 ? 
ATOM   643  C  C   . MET A 1 86  ? 10.925  -18.579 -4.868  1.000 5.389  0 86  MET A C   1 ? 
ATOM   644  O  O   . MET A 1 86  ? 10.051  -19.385 -5.185  1.000 5.276  0 86  MET A O   1 ? 
ATOM   645  C  CB  . MET A 1 86  ? 10.364  -16.133 -5.047  1.000 7.861  0 86  MET A CB  1 ? 
ATOM   646  C  CG  . MET A 1 86  ? 8.964   -16.390 -4.734  1.000 9.570  0 86  MET A CG  1 ? 
ATOM   647  S  SD  . MET A 1 86  ? 8.129   -15.061 -3.854  1.000 14.340 0 86  MET A SD  1 ? 
ATOM   648  C  CE  . MET A 1 86  ? 9.249   -14.412 -2.793  1.000 9.706  0 86  MET A CE  1 ? 
ATOM   649  N  N   . LEU A 1 87  ? 11.738  -18.745 -3.831  1.000 5.119  0 87  LEU A N   1 ? 
ATOM   650  C  CA  . LEU A 1 87  ? 11.609  -19.805 -2.854  1.000 4.923  0 87  LEU A CA  1 ? 
ATOM   651  C  C   . LEU A 1 87  ? 11.126  -19.252 -1.513  1.000 5.304  0 87  LEU A C   1 ? 
ATOM   652  O  O   . LEU A 1 87  ? 11.469  -18.131 -1.138  1.000 5.911  0 87  LEU A O   1 ? 
ATOM   653  C  CB  . LEU A 1 87  ? 12.974  -20.472 -2.671  1.000 5.356  0 87  LEU A CB  1 ? 
ATOM   654  C  CG  . LEU A 1 87  ? 13.401  -21.390 -3.803  1.000 5.749  0 87  LEU A CG  1 ? 
ATOM   655  C  CD1 . LEU A 1 87  ? 14.886  -21.726 -3.663  1.000 6.476  0 87  LEU A CD1 1 ? 
ATOM   656  C  CD2 . LEU A 1 87  ? 12.554  -22.656 -3.819  1.000 6.848  0 87  LEU A CD2 1 ? 
ATOM   657  N  N   . ILE A 1 88  ? 10.246  -20.020 -0.861  1.000 5.644  0 88  ILE A N   1 ? 
ATOM   658  C  CA  . ILE A 1 88  ? 9.732   -19.675 0.448   1.000 6.067  0 88  ILE A CA  1 ? 
ATOM   659  C  C   . ILE A 1 88  ? 10.017  -20.841 1.380   1.000 6.236  0 88  ILE A C   1 ? 
ATOM   660  O  O   . ILE A 1 88  ? 9.603   -21.976 1.105   1.000 6.335  0 88  ILE A O   1 ? 
ATOM   661  C  CB  . ILE A 1 88  ? 8.227   -19.400 0.385   1.000 6.518  0 88  ILE A CB  1 ? 
ATOM   662  C  CG1 . ILE A 1 88  ? 7.927   -18.251 -0.548  1.000 6.957  0 88  ILE A CG1 1 ? 
ATOM   663  C  CG2 . ILE A 1 88  ? 7.725   -19.103 1.804   1.000 7.427  0 88  ILE A CG2 1 ? 
ATOM   664  C  CD1 . ILE A 1 88  ? 6.445   -18.150 -0.869  1.000 8.813  0 88  ILE A CD1 1 ? 
ATOM   665  N  N   . LYS A 1 89  ? 10.726  -20.554 2.479   1.000 6.897  0 89  LYS A N   1 ? 
ATOM   666  C  CA  . LYS A 1 89  ? 10.973  -21.568 3.501   1.000 7.895  0 89  LYS A CA  1 ? 
ATOM   667  C  C   . LYS A 1 89  ? 9.878   -21.414 4.558   1.000 8.076  0 89  LYS A C   1 ? 
ATOM   668  O  O   . LYS A 1 89  ? 9.526   -20.314 5.003   1.000 8.702  0 89  LYS A O   1 ? 
ATOM   669  C  CB  . LYS A 1 89  ? 12.356  -21.435 4.134   1.000 8.151  0 89  LYS A CB  1 ? 
ATOM   670  C  CG  . LYS A 1 89  ? 12.704  -22.604 5.055   1.000 9.022  0 89  LYS A CG  1 ? 
ATOM   671  C  CD  . LYS A 1 89  ? 14.083  -22.499 5.664   1.000 10.747 0 89  LYS A CD  1 ? 
ATOM   672  C  CE  . LYS A 1 89  ? 14.332  -23.725 6.514   1.000 11.728 0 89  LYS A CE  1 ? 
ATOM   673  N  NZ  . LYS A 1 89  ? 15.583  -23.566 7.256   1.000 14.109 0 89  LYS A NZ  1 ? 
ATOM   674  N  N   . LEU A 1 90  ? 9.342   -22.562 4.950   1.000 8.437  0 90  LEU A N   1 ? 
ATOM   675  C  CA  . LEU A 1 90  ? 8.322   -22.665 6.002   1.000 9.271  0 90  LEU A CA  1 ? 
ATOM   676  C  C   . LEU A 1 90  ? 8.963   -22.661 7.393   1.000 9.713  0 90  LEU A C   1 ? 
ATOM   677  O  O   . LEU A 1 90  ? 10.026  -23.226 7.611   1.000 9.602  0 90  LEU A O   1 ? 
ATOM   678  C  CB  . LEU A 1 90  ? 7.518   -23.948 5.806   1.000 9.650  0 90  LEU A CB  1 ? 
ATOM   679  C  CG  . LEU A 1 90  ? 6.844   -24.128 4.445   1.000 10.404 0 90  LEU A CG  1 ? 
ATOM   680  C  CD1 . LEU A 1 90  ? 6.028   -25.399 4.378   1.000 10.634 0 90  LEU A CD1 1 ? 
ATOM   681  C  CD2 . LEU A 1 90  ? 6.002   -22.939 4.164   1.000 12.173 0 90  LEU A CD2 1 ? 
ATOM   682  N  N   . LYS A 1 91  ? 8.314   -22.009 8.359   1.000 9.200  0 91  LYS A N   1 ? 
ATOM   683  C  CA  . LYS A 1 91  ? 8.810   -21.951 9.746   1.000 11.341 0 91  LYS A CA  1 ? 
ATOM   684  C  C   . LYS A 1 91  ? 8.895   -23.337 10.375  1.000 10.757 0 91  LYS A C   1 ? 
ATOM   685  O  O   . LYS A 1 91  ? 9.714   -23.592 11.264  1.000 11.959 0 91  LYS A O   1 ? 
ATOM   686  C  CB  . LYS A 1 91  ? 7.884   -21.085 10.615  1.000 14.217 0 91  LYS A CB  1 ? 
ATOM   687  C  CG  . LYS A 1 91  ? 8.061   -19.591 10.540  1.000 19.091 0 91  LYS A CG  1 ? 
ATOM   688  C  CD  . LYS A 1 91  ? 7.545   -18.900 11.809  1.000 24.856 0 91  LYS A CD  1 ? 
ATOM   689  C  CE  . LYS A 1 91  ? 7.280   -17.404 11.781  1.000 31.635 0 91  LYS A CE  1 ? 
ATOM   690  N  NZ  . LYS A 1 91  ? 8.256   -16.681 10.970  1.000 37.239 0 91  LYS A NZ  1 ? 
ATOM   691  N  N   . SER A 1 92  ? 8.019   -24.232 9.956   1.000 10.494 0 92  SER A N   1 ? 
ATOM   692  C  CA  . SER A 1 92  ? 8.081   -25.619 10.378  1.000 11.086 0 92  SER A CA  1 ? 
ATOM   693  C  C   . SER A 1 92  ? 7.846   -26.491 9.163   1.000 11.711 0 92  SER A C   1 ? 
ATOM   694  O  O   . SER A 1 92  ? 7.217   -26.074 8.206   1.000 10.996 0 92  SER A O   1 ? 
ATOM   695  C  CB  . SER A 1 92  ? 7.096   -25.930 11.462  1.000 12.368 0 92  SER A CB  1 ? 
ATOM   696  O  OG  . SER A 1 92  ? 5.763   -25.612 11.102  1.000 13.602 0 92  SER A OG  1 ? 
ATOM   697  N  N   . ALA A 1 93  ? 8.282   -27.745 9.213   1.000 11.241 0 93  ALA A N   1 ? 
ATOM   698  C  CA  . ALA A 1 93  ? 8.012   -28.705 8.167   1.000 10.549 0 93  ALA A CA  1 ? 
ATOM   699  C  C   . ALA A 1 93  ? 6.534   -29.079 8.108   1.000 11.340 0 93  ALA A C   1 ? 
ATOM   700  O  O   . ALA A 1 93  ? 5.903   -29.391 9.137   1.000 12.003 0 93  ALA A O   1 ? 
ATOM   701  C  CB  . ALA A 1 93  ? 8.811   -29.970 8.430   1.000 11.556 0 93  ALA A CB  1 ? 
ATOM   702  N  N   . ALA A 1 94  ? 6.003   -29.112 6.890   1.000 10.349 0 94  ALA A N   1 ? 
ATOM   703  C  CA  . ALA A 1 94  ? 4.705   -29.703 6.647   1.000 10.488 0 94  ALA A CA  1 ? 
ATOM   704  C  C   . ALA A 1 94  ? 4.714   -31.183 6.961   1.000 11.378 0 94  ALA A C   1 ? 
ATOM   705  O  O   . ALA A 1 94  ? 5.745   -31.856 6.774   1.000 12.568 0 94  ALA A O   1 ? 
ATOM   706  C  CB  . ALA A 1 94  ? 4.288   -29.484 5.210   1.000 10.563 0 94  ALA A CB  1 ? 
ATOM   707  N  N   . SER A 1 95  ? 3.536   -31.691 7.376   1.000 10.367 0 95  SER A N   1 ? 
ATOM   708  C  CA  . SER A 1 95  ? 3.312   -33.129 7.506   1.000 11.253 0 95  SER A CA  1 ? 
ATOM   709  C  C   . SER A 1 95  ? 2.826   -33.680 6.188   1.000 11.378 0 95  SER A C   1 ? 
ATOM   710  O  O   . SER A 1 95  ? 1.739   -33.331 5.730   1.000 12.589 0 95  SER A O   1 ? 
ATOM   711  C  CB  . SER A 1 95  ? 2.268   -33.423 8.556   1.000 13.175 0 95  SER A CB  1 ? 
ATOM   712  O  OG  . SER A 1 95  ? 2.732   -33.031 9.823   1.000 19.900 0 95  SER A OG  1 ? 
ATOM   713  N  N   . LEU A 1 96  ? 3.624   -34.526 5.552   1.000 11.026 0 96  LEU A N   1 ? 
ATOM   714  C  CA  . LEU A 1 96  ? 3.319   -35.012 4.228   1.000 12.253 0 96  LEU A CA  1 ? 
ATOM   715  C  C   . LEU A 1 96  ? 2.497   -36.287 4.353   1.000 14.469 0 96  LEU A C   1 ? 
ATOM   716  O  O   . LEU A 1 96  ? 2.778   -37.152 5.196   1.000 16.480 0 96  LEU A O   1 ? 
ATOM   717  C  CB  . LEU A 1 96  ? 4.573   -35.240 3.401   1.000 11.957 0 96  LEU A CB  1 ? 
ATOM   718  C  CG  . LEU A 1 96  ? 5.530   -34.053 3.271   1.000 13.065 0 96  LEU A CG  1 ? 
ATOM   719  C  CD1 . LEU A 1 96  ? 6.727   -34.390 2.394   1.000 15.697 0 96  LEU A CD1 1 ? 
ATOM   720  C  CD2 . LEU A 1 96  ? 4.816   -32.873 2.692   1.000 14.433 0 96  LEU A CD2 1 ? 
ATOM   721  N  N   . ASN A 1 97  ? 1.463   -36.326 3.510   1.000 15.483 0 97  ASN A N   1 ? 
ATOM   722  C  CA  . ASN A 1 97  ? 0.431   -37.348 3.449   1.000 17.039 0 97  ASN A CA  1 ? 
ATOM   723  C  C   . ASN A 1 97  ? -0.113  -37.380 2.010   1.000 15.281 0 97  ASN A C   1 ? 
ATOM   724  O  O   . ASN A 1 97  ? 0.439   -36.742 1.116   1.000 16.061 0 97  ASN A O   1 ? 
ATOM   725  C  CB  . ASN A 1 97  ? -0.583  -37.092 4.571   1.000 16.758 0 97  ASN A CB  1 ? 
ATOM   726  C  CG  . ASN A 1 97  ? -1.160  -35.689 4.549   1.000 20.798 0 97  ASN A CG  1 ? 
ATOM   727  O  OD1 . ASN A 1 97  ? -1.131  -34.919 5.528   1.000 22.712 0 97  ASN A OD1 1 ? 
ATOM   728  N  ND2 . ASN A 1 97  ? -1.716  -35.349 3.408   1.000 15.376 0 97  ASN A ND2 1 ? 
ATOM   729  N  N   . SER A 1 98  ? -1.186  -38.141 1.747   1.000 14.016 0 98  SER A N   1 ? 
ATOM   730  C  CA  . SER A 1 98  ? -1.733  -38.245 0.398   1.000 13.552 0 98  SER A CA  1 ? 
ATOM   731  C  C   . SER A 1 98  ? -2.299  -36.930 -0.149  1.000 12.788 0 98  SER A C   1 ? 
ATOM   732  O  O   . SER A 1 98  ? -2.345  -36.742 -1.370  1.000 13.709 0 98  SER A O   1 ? 
ATOM   733  C  CB  . SER A 1 98  ? -2.828  -39.284 0.371   1.000 16.155 0 98  SER A CB  1 ? 
ATOM   734  O  OG  . SER A 1 98  ? -3.929  -38.875 1.187   1.000 15.646 0 98  SER A OG  1 ? 
ATOM   735  N  N   . ARG A 1 99  ? -2.747  -36.047 0.746   1.000 11.324 0 99  ARG A N   1 ? 
ATOM   736  C  CA  . ARG A 1 99  ? -3.387  -34.799 0.349   1.000 10.547 0 99  ARG A CA  1 ? 
ATOM   737  C  C   . ARG A 1 99  ? -2.447  -33.599 0.387   1.000 10.681 0 99  ARG A C   1 ? 
ATOM   738  O  O   . ARG A 1 99  ? -2.817  -32.524 -0.091  1.000 10.551 0 99  ARG A O   1 ? 
ATOM   739  C  CB  . ARG A 1 99  ? -4.638  -34.568 1.202   1.000 10.398 0 99  ARG A CB  1 ? 
ATOM   740  C  CG  . ARG A 1 99  ? -5.657  -35.680 0.969   1.000 11.355 0 99  ARG A CG  1 ? 
ATOM   741  C  CD  . ARG A 1 99  ? -6.887  -35.458 1.829   1.000 14.303 0 99  ARG A CD  1 ? 
ATOM   742  N  NE  . ARG A 1 99  ? -7.939  -36.433 1.515   1.000 16.337 0 99  ARG A NE  1 ? 
ATOM   743  C  CZ  . ARG A 1 99  ? -7.989  -37.678 1.916   1.000 20.052 0 99  ARG A CZ  1 ? 
ATOM   744  N  NH1 . ARG A 1 99  ? -7.106  -38.145 2.797   1.000 22.939 0 99  ARG A NH1 1 ? 
ATOM   745  N  NH2 . ARG A 1 99  ? -9.002  -38.432 1.496   1.000 21.677 0 99  ARG A NH2 1 ? 
ATOM   746  N  N   . VAL A 1 100 ? -1.278  -33.746 1.019   1.000 9.376  0 100 VAL A N   1 ? 
ATOM   747  C  CA  . VAL A 1 100 ? -0.251  -32.726 1.094   1.000 8.927  0 100 VAL A CA  1 ? 
ATOM   748  C  C   . VAL A 1 100 ? 1.068   -33.395 0.755   1.000 9.461  0 100 VAL A C   1 ? 
ATOM   749  O  O   . VAL A 1 100 ? 1.608   -34.182 1.534   1.000 10.312 0 100 VAL A O   1 ? 
ATOM   750  C  CB  . VAL A 1 100 ? -0.197  -32.036 2.465   1.000 8.660  0 100 VAL A CB  1 ? 
ATOM   751  C  CG1 . VAL A 1 100 ? 0.938   -31.028 2.546   1.000 9.164  0 100 VAL A CG1 1 ? 
ATOM   752  C  CG2 . VAL A 1 100 ? -1.528  -31.359 2.744   1.000 9.274  0 100 VAL A CG2 1 ? 
ATOM   753  N  N   . ALA A 1 101 ? 1.575   -33.101 -0.423  1.000 8.215  0 101 ALA A N   1 ? 
ATOM   754  C  CA  . ALA A 1 101 ? 2.693   -33.824 -0.977  1.000 8.007  0 101 ALA A CA  1 ? 
ATOM   755  C  C   . ALA A 1 101 ? 3.544   -32.901 -1.828  1.000 8.510  0 101 ALA A C   1 ? 
ATOM   756  O  O   . ALA A 1 101 ? 3.027   -31.956 -2.405  1.000 7.997  0 101 ALA A O   1 ? 
ATOM   757  C  CB  . ALA A 1 101 ? 2.212   -34.987 -1.802  1.000 8.277  0 101 ALA A CB  1 ? 
ATOM   758  N  N   . SER A 1 102 ? 4.844   -33.204 -1.881  1.000 7.833  0 102 SER A N   1 ? 
ATOM   759  C  CA  . SER A 1 102 ? 5.778   -32.458 -2.705  1.000 8.025  0 102 SER A CA  1 ? 
ATOM   760  C  C   . SER A 1 102 ? 5.657   -32.917 -4.151  1.000 8.050  0 102 SER A C   1 ? 
ATOM   761  O  O   . SER A 1 102 ? 5.275   -34.053 -4.422  1.000 10.132 0 102 SER A O   1 ? 
ATOM   762  C  CB  . SER A 1 102 ? 7.185   -32.599 -2.253  1.000 9.218  0 102 SER A CB  1 ? 
ATOM   763  O  OG  . SER A 1 102 ? 7.545   -33.962 -2.082  1.000 10.925 0 102 SER A OG  1 ? 
ATOM   764  N  N   . ILE A 1 103 ? 6.016   -32.027 -5.072  1.000 7.377  0 103 ILE A N   1 ? 
ATOM   765  C  CA  . ILE A 1 103 ? 6.111   -32.319 -6.491  1.000 8.168  0 103 ILE A CA  1 ? 
ATOM   766  C  C   . ILE A 1 103 ? 7.593   -32.390 -6.861  1.000 7.642  0 103 ILE A C   1 ? 
ATOM   767  O  O   . ILE A 1 103 ? 8.381   -31.502 -6.511  1.000 7.513  0 103 ILE A O   1 ? 
ATOM   768  C  CB  . ILE A 1 103 ? 5.327   -31.297 -7.359  1.000 9.231  0 103 ILE A CB  1 ? 
ATOM   769  C  CG1 . ILE A 1 103 ? 5.302   -31.678 -8.826  1.000 10.699 0 103 ILE A CG1 1 ? 
ATOM   770  C  CG2 . ILE A 1 103 ? 5.868   -29.884 -7.195  1.000 10.138 0 103 ILE A CG2 1 ? 
ATOM   771  C  CD1 . ILE A 1 103 ? 4.540   -32.935 -9.102  1.000 11.622 0 103 ILE A CD1 1 ? 
ATOM   772  N  N   . SER A 1 104 ? 7.945   -33.418 -7.652  1.000 8.023  0 104 SER A N   1 ? 
ATOM   773  C  CA  . SER A 1 104 ? 9.292   -33.588 -8.162  1.000 8.973  0 104 SER A CA  1 ? 
ATOM   774  C  C   . SER A 1 104 ? 9.743   -32.419 -9.033  1.000 8.924  0 104 SER A C   1 ? 
ATOM   775  O  O   . SER A 1 104 ? 9.004   -31.903 -9.856  1.000 8.372  0 104 SER A O   1 ? 
ATOM   776  C  CB  . SER A 1 104 ? 9.336   -34.859 -8.943  1.000 11.278 0 104 SER A CB  1 ? 
ATOM   777  O  OG  . SER A 1 104 ? 9.176   -35.980 -8.082  1.000 15.315 0 104 SER A OG  1 ? 
ATOM   778  N  N   . LEU A 1 105 ? 11.011  -32.040 -8.902  1.000 9.085  0 105 LEU A N   1 ? 
ATOM   779  C  CA  . LEU A 1 105 ? 11.687  -31.109 -9.797  1.000 9.995  0 105 LEU A CA  1 ? 
ATOM   780  C  C   . LEU A 1 105 ? 12.115  -31.853 -11.052 1.000 9.814  0 105 LEU A C   1 ? 
ATOM   781  O  O   . LEU A 1 105 ? 12.318  -33.057 -11.021 1.000 11.943 0 105 LEU A O   1 ? 
ATOM   782  C  CB  . LEU A 1 105 ? 12.898  -30.461 -9.127  1.000 11.253 0 105 LEU A CB  1 ? 
ATOM   783  C  CG  . LEU A 1 105 ? 12.559  -29.516 -7.980  1.000 13.037 0 105 LEU A CG  1 ? 
ATOM   784  C  CD1 . LEU A 1 105 ? 13.850  -29.155 -7.298  1.000 13.865 0 105 LEU A CD1 1 ? 
ATOM   785  C  CD2 . LEU A 1 105 ? 11.818  -28.315 -8.446  1.000 13.177 0 105 LEU A CD2 1 ? 
ATOM   786  N  N   . PRO A 1 106 ? 12.193  -31.148 -12.194 1.000 9.556  0 106 PRO A N   1 ? 
ATOM   787  C  CA  . PRO A 1 106 ? 12.546  -31.780 -13.463 1.000 10.725 0 106 PRO A CA  1 ? 
ATOM   788  C  C   . PRO A 1 106 ? 14.024  -32.136 -13.439 1.000 12.193 0 106 PRO A C   1 ? 
ATOM   789  O  O   . PRO A 1 106 ? 14.827  -31.492 -12.801 1.000 13.043 0 106 PRO A O   1 ? 
ATOM   790  C  CB  . PRO A 1 106 ? 12.251  -30.769 -14.530 1.000 12.600 0 106 PRO A CB  1 ? 
ATOM   791  C  CG  . PRO A 1 106 ? 12.117  -29.486 -13.802 1.000 11.949 0 106 PRO A CG  1 ? 
ATOM   792  C  CD  . PRO A 1 106 ? 11.864  -29.726 -12.318 1.000 10.670 0 106 PRO A CD  1 ? 
ATOM   793  N  N   . THR A 1 107 ? 14.362  -33.222 -14.103 1.000 15.357 0 107 THR A N   1 ? 
ATOM   794  C  CA  . THR A 1 107 ? 15.769  -33.509 -14.343 1.000 18.006 0 107 THR A CA  1 ? 
ATOM   795  C  C   . THR A 1 107 ? 16.154  -33.059 -15.742 1.000 18.870 0 107 THR A C   1 ? 
ATOM   796  O  O   . THR A 1 107 ? 17.339  -32.821 -15.990 1.000 21.485 0 107 THR A O   1 ? 
ATOM   797  C  CB  . THR A 1 107 ? 16.034  -35.006 -14.146 1.000 18.766 0 107 THR A CB  1 ? 
ATOM   798  O  OG1 . THR A 1 107 ? 15.187  -35.693 -15.048 1.000 21.764 0 107 THR A OG1 1 ? 
ATOM   799  C  CG2 . THR A 1 107 ? 15.623  -35.485 -12.782 1.000 19.291 0 107 THR A CG2 1 ? 
ATOM   800  N  N   . SER A 1 108 ? 15.168  -32.954 -16.625 1.000 17.386 0 108 SER A N   1 ? 
ATOM   801  C  CA  . SER A 1 108 ? 15.294  -32.416 -17.957 1.000 19.713 0 108 SER A CA  1 ? 
ATOM   802  C  C   . SER A 1 108 ? 14.069  -31.546 -18.243 1.000 17.280 0 108 SER A C   1 ? 
ATOM   803  O  O   . SER A 1 108 ? 12.999  -31.673 -17.621 1.000 14.518 0 108 SER A O   1 ? 
ATOM   804  C  CB  . SER A 1 108 ? 15.483  -33.495 -18.996 1.000 23.673 0 108 SER A CB  1 ? 
ATOM   805  O  OG  . SER A 1 108 ? 14.270  -33.887 -19.615 1.000 24.699 0 108 SER A OG  1 ? 
ATOM   806  N  N   . CYS A 1 109 ? 14.296  -30.596 -19.132 1.000 15.780 0 109 CYS A N   1 ? 
ATOM   807  C  CA  . CYS A 1 109 ? 13.254  -29.708 -19.594 1.000 14.887 0 109 CYS A CA  1 ? 
ATOM   808  C  C   . CYS A 1 109 ? 12.195  -30.476 -20.338 1.000 17.068 0 109 CYS A C   1 ? 
ATOM   809  O  O   . CYS A 1 109 ? 12.415  -31.589 -20.847 1.000 19.879 0 109 CYS A O   1 ? 
ATOM   810  C  CB  . CYS A 1 109 ? 13.843  -28.575 -20.419 1.000 14.548 0 109 CYS A CB  1 ? 
ATOM   811  S  SG  . CYS A 1 109 ? 15.115  -27.680 -19.541 1.000 13.641 0 109 CYS A SG  1 ? 
ATOM   812  N  N   . ALA A 1 110 ? 11.035  -29.855 -20.409 1.000 13.538 0 110 ALA A N   1 ? 
ATOM   813  C  CA  . ALA A 1 110 ? 9.957   -30.351 -21.219 1.000 15.803 0 110 ALA A CA  1 ? 
ATOM   814  C  C   . ALA A 1 110 ? 10.008  -29.692 -22.595 1.000 16.153 0 110 ALA A C   1 ? 
ATOM   815  O  O   . ALA A 1 110 ? 10.612  -28.626 -22.794 1.000 22.721 0 110 ALA A O   1 ? 
ATOM   816  C  CB  . ALA A 1 110 ? 8.669   -30.084 -20.540 1.000 15.639 0 110 ALA A CB  1 ? 
ATOM   817  N  N   . SER A 1 111 ? 9.330   -30.338 -23.510 1.000 15.801 0 111 SER A N   1 ? 
ATOM   818  C  CA  . SER A 1 111 ? 9.265   -29.979 -24.915 1.000 18.988 0 111 SER A CA  1 ? 
ATOM   819  C  C   . SER A 1 111 ? 7.842   -29.561 -25.314 1.000 15.584 0 111 SER A C   1 ? 
ATOM   820  O  O   . SER A 1 111 ? 6.834   -30.076 -24.793 1.000 15.019 0 111 SER A O   1 ? 
ATOM   821  C  CB  . SER A 1 111 ? 9.766   -31.197 -25.772 1.000 20.200 0 111 SER A CB  1 ? 
ATOM   822  O  OG  . SER A 1 111 ? 11.067  -31.607 -25.368 1.000 30.031 0 111 SER A OG  1 ? 
ATOM   823  N  N   . ALA A 1 112 ? 7.785   -28.735 -26.365 1.000 16.141 0 112 ALA A N   1 ? 
ATOM   824  C  CA  . ALA A 1 112 ? 6.538   -28.442 -27.064 1.000 16.498 0 112 ALA A CA  1 ? 
ATOM   825  C  C   . ALA A 1 112 ? 5.764   -29.734 -27.383 1.000 16.008 0 112 ALA A C   1 ? 
ATOM   826  O  O   . ALA A 1 112 ? 6.337   -30.768 -27.814 1.000 17.000 0 112 ALA A O   1 ? 
ATOM   827  C  CB  . ALA A 1 112 ? 6.819   -27.651 -28.340 1.000 16.088 0 112 ALA A CB  1 ? 
ATOM   828  N  N   . GLY A 1 113 ? 4.453   -29.683 -27.106 1.000 15.819 0 113 GLY A N   1 ? 
ATOM   829  C  CA  . GLY A 1 113 ? 3.549   -30.792 -27.365 1.000 16.581 0 113 GLY A CA  1 ? 
ATOM   830  C  C   . GLY A 1 113 ? 3.184   -31.584 -26.112 1.000 16.765 0 113 GLY A C   1 ? 
ATOM   831  O  O   . GLY A 1 113 ? 2.167   -32.277 -26.100 1.000 18.433 0 113 GLY A O   1 ? 
ATOM   832  N  N   . THR A 1 114 ? 4.047   -31.552 -25.089 1.000 16.088 0 114 THR A N   1 ? 
ATOM   833  C  CA  . THR A 1 114 ? 3.736   -32.226 -23.839 1.000 15.902 0 114 THR A CA  1 ? 
ATOM   834  C  C   . THR A 1 114 ? 2.527   -31.557 -23.177 1.000 15.288 0 114 THR A C   1 ? 
ATOM   835  O  O   . THR A 1 114 ? 2.516   -30.341 -23.028 1.000 15.099 0 114 THR A O   1 ? 
ATOM   836  C  CB  . THR A 1 114 ? 4.988   -32.187 -22.964 1.000 17.392 0 114 THR A CB  1 ? 
ATOM   837  O  OG1 . THR A 1 114 ? 6.005   -32.941 -23.627 1.000 21.338 0 114 THR A OG1 1 ? 
ATOM   838  C  CG2 . THR A 1 114 ? 4.811   -32.848 -21.602 1.000 16.407 0 114 THR A CG2 1 ? 
ATOM   839  N  N   . GLN A 1 115 ? 1.561   -32.358 -22.747 1.000 13.894 0 115 GLN A N   1 ? 
ATOM   840  C  CA  . GLN A 1 115 ? 0.427   -31.926 -21.954 1.000 17.661 0 115 GLN A CA  1 ? 
ATOM   841  C  C   . GLN A 1 115 ? 0.825   -31.751 -20.487 1.000 15.811 0 115 GLN A C   1 ? 
ATOM   842  O  O   . GLN A 1 115 ? 1.640   -32.495 -19.918 1.000 16.199 0 115 GLN A O   1 ? 
ATOM   843  C  CB  . GLN A 1 115 ? -0.716  -32.927 -22.041 1.000 21.072 0 115 GLN A CB  1 ? 
ATOM   844  C  CG  . GLN A 1 115 ? -1.474  -32.916 -23.376 1.000 28.597 0 115 GLN A CG  1 ? 
ATOM   845  C  CD  . GLN A 1 115 ? -2.497  -31.801 -23.588 1.000 32.666 0 115 GLN A CD  1 ? 
ATOM   846  O  OE1 . GLN A 1 115 ? -3.314  -31.450 -22.725 1.000 38.366 0 115 GLN A OE1 1 ? 
ATOM   847  N  NE2 . GLN A 1 115 ? -2.507  -31.252 -24.789 1.000 31.034 0 115 GLN A NE2 1 ? 
ATOM   848  N  N   . CYS A 1 116 ? 0.237   -30.730 -19.858 1.000 10.293 0 116 CYS A N   1 ? 
ATOM   849  C  CA  . CYS A 1 116 ? 0.583   -30.383 -18.497 1.000 9.405  0 116 CYS A CA  1 ? 
ATOM   850  C  C   . CYS A 1 116 ? -0.691  -29.982 -17.769 1.000 7.749  0 116 CYS A C   1 ? 
ATOM   851  O  O   . CYS A 1 116 ? -1.713  -29.706 -18.390 1.000 9.916  0 116 CYS A O   1 ? 
ATOM   852  C  CB  . CYS A 1 116 ? 1.531   -29.208 -18.484 1.000 8.862  0 116 CYS A CB  1 ? 
ATOM   853  S  SG  . CYS A 1 116 ? 3.044   -29.479 -19.459 1.000 11.841 0 116 CYS A SG  1 ? 
ATOM   854  N  N   . LEU A 1 117 ? -0.625  -30.009 -16.447 1.000 6.309  0 117 LEU A N   1 ? 
ATOM   855  C  CA  . LEU A 1 117 ? -1.753  -29.615 -15.609 1.000 5.974  0 117 LEU A CA  1 ? 
ATOM   856  C  C   . LEU A 1 117 ? -1.383  -28.320 -14.900 1.000 5.558  0 117 LEU A C   1 ? 
ATOM   857  O  O   . LEU A 1 117 ? -0.349  -28.263 -14.211 1.000 5.536  0 117 LEU A O   1 ? 
ATOM   858  C  CB  . LEU A 1 117 ? -1.982  -30.688 -14.557 1.000 6.384  0 117 LEU A CB  1 ? 
ATOM   859  C  CG  . LEU A 1 117 ? -3.155  -30.435 -13.608 1.000 6.614  0 117 LEU A CG  1 ? 
ATOM   860  C  CD1 . LEU A 1 117 ? -4.466  -30.517 -14.350 1.000 7.186  0 117 LEU A CD1 1 ? 
ATOM   861  C  CD2 . LEU A 1 117 ? -3.156  -31.420 -12.432 1.000 6.715  0 117 LEU A CD2 1 ? 
ATOM   862  N  N   . ILE A 1 118 ? -2.230  -27.301 -15.109 1.000 5.147  0 118 ILE A N   1 ? 
ATOM   863  C  CA  . ILE A 1 118 ? -2.073  -25.962 -14.550 1.000 5.605  0 118 ILE A CA  1 ? 
ATOM   864  C  C   . ILE A 1 118 ? -3.235  -25.771 -13.593 1.000 6.074  0 118 ILE A C   1 ? 
ATOM   865  O  O   . ILE A 1 118 ? -4.353  -26.158 -13.893 1.000 6.488  0 118 ILE A O   1 ? 
ATOM   866  C  CB  . ILE A 1 118 ? -2.083  -24.916 -15.668 1.000 6.027  0 118 ILE A CB  1 ? 
ATOM   867  C  CG1 . ILE A 1 118 ? -1.073  -25.306 -16.780 1.000 6.463  0 118 ILE A CG1 1 ? 
ATOM   868  C  CG2 . ILE A 1 118 ? -1.814  -23.522 -15.101 1.000 6.069  0 118 ILE A CG2 1 ? 
ATOM   869  C  CD1 . ILE A 1 118 ? -1.121  -24.356 -17.968 1.000 7.764  0 118 ILE A CD1 1 ? 
ATOM   870  N  N   . SER A 1 119 ? -2.981  -25.200 -12.417 1.000 5.628  0 119 SER A N   1 ? 
ATOM   871  C  CA  . SER A 1 119 ? -4.016  -25.152 -11.395 1.000 5.572  0 119 SER A CA  1 ? 
ATOM   872  C  C   . SER A 1 119 ? -3.934  -23.845 -10.620 1.000 5.376  0 119 SER A C   1 ? 
ATOM   873  O  O   . SER A 1 119 ? -2.870  -23.240 -10.509 1.000 4.897  0 119 SER A O   1 ? 
ATOM   874  C  CB  . SER A 1 119 ? -3.978  -26.388 -10.509 1.000 5.692  0 119 SER A CB  1 ? 
ATOM   875  O  OG  . SER A 1 119 ? -2.647  -26.657 -10.058 1.000 6.142  0 119 SER A OG  1 ? 
ATOM   876  N  N   . GLY A 1 120 ? -5.064  -23.455 -10.019 1.000 5.020  0 120 GLY A N   1 ? 
ATOM   877  C  CA  . GLY A 1 120 ? -5.064  -22.274 -9.178  1.000 4.971  0 120 GLY A CA  1 ? 
ATOM   878  C  C   . GLY A 1 120 ? -6.459  -21.755 -8.846  1.000 5.025  0 120 GLY A C   1 ? 
ATOM   879  O  O   . GLY A 1 120 ? -7.471  -22.266 -9.323  1.000 5.526  0 120 GLY A O   1 ? 
ATOM   880  N  N   . TRP A 1 121 ? -6.485  -20.699 -8.012  1.000 5.178  0 121 TRP A N   1 ? 
ATOM   881  C  CA  . TRP A 1 121 ? -7.697  -20.044 -7.511  1.000 5.274  0 121 TRP A CA  1 ? 
ATOM   882  C  C   . TRP A 1 121 ? -7.869  -18.680 -8.176  1.000 5.626  0 121 TRP A C   1 ? 
ATOM   883  O  O   . TRP A 1 121 ? -8.546  -17.796 -7.640  1.000 6.832  0 121 TRP A O   1 ? 
ATOM   884  C  CB  . TRP A 1 121 ? -7.655  -19.899 -5.985  1.000 5.121  0 121 TRP A CB  1 ? 
ATOM   885  C  CG  . TRP A 1 121 ? -7.794  -21.211 -5.244  1.000 4.688  0 121 TRP A CG  1 ? 
ATOM   886  C  CD1 . TRP A 1 121 ? -8.972  -21.800 -4.869  1.000 5.031  0 121 TRP A CD1 1 ? 
ATOM   887  C  CD2 . TRP A 1 121 ? -6.755  -22.032 -4.693  1.000 4.796  0 121 TRP A CD2 1 ? 
ATOM   888  N  NE1 . TRP A 1 121 ? -8.716  -22.934 -4.150  1.000 5.532  0 121 TRP A NE1 1 ? 
ATOM   889  C  CE2 . TRP A 1 121 ? -7.380  -23.099 -3.996  1.000 5.211  0 121 TRP A CE2 1 ? 
ATOM   890  C  CE3 . TRP A 1 121 ? -5.358  -21.958 -4.662  1.000 4.751  0 121 TRP A CE3 1 ? 
ATOM   891  C  CZ2 . TRP A 1 121 ? -6.655  -24.079 -3.331  1.000 5.177  0 121 TRP A CZ2 1 ? 
ATOM   892  C  CZ3 . TRP A 1 121 ? -4.666  -22.916 -3.989  1.000 4.915  0 121 TRP A CZ3 1 ? 
ATOM   893  C  CH2 . TRP A 1 121 ? -5.297  -23.949 -3.302  1.000 5.338  0 121 TRP A CH2 1 ? 
ATOM   894  N  N   . GLY A 1 122 ? -7.284  -18.509 -9.364  1.000 5.311  0 122 GLY A N   1 ? 
ATOM   895  C  CA  . GLY A 1 122 ? -7.386  -17.232 -10.048 1.000 5.701  0 122 GLY A CA  1 ? 
ATOM   896  C  C   . GLY A 1 122 ? -8.701  -17.034 -10.785 1.000 6.007  0 122 GLY A C   1 ? 
ATOM   897  O  O   . GLY A 1 122 ? -9.596  -17.877 -10.753 1.000 6.809  0 122 GLY A O   1 ? 
ATOM   898  N  N   . ASN A 1 123 ? -8.805  -15.857 -11.415 1.000 7.024  0 123 ASN A N   1 ? 
ATOM   899  C  CA  . ASN A 1 123 ? -10.012 -15.445 -12.136 1.000 7.775  0 123 ASN A CA  1 ? 
ATOM   900  C  C   . ASN A 1 123 ? -10.418 -16.553 -13.113 1.000 7.883  0 123 ASN A C   1 ? 
ATOM   901  O  O   . ASN A 1 123 ? -9.569  -17.090 -13.820 1.000 6.895  0 123 ASN A O   1 ? 
ATOM   902  C  CB  . ASN A 1 123 ? -9.764  -14.063 -12.752 1.000 8.238  0 123 ASN A CB  1 ? 
ATOM   903  C  CG  . ASN A 1 123 ? -10.985 -13.362 -13.313 1.000 10.142 0 123 ASN A CG  1 ? 
ATOM   904  O  OD1 . ASN A 1 123 ? -12.090 -13.883 -13.285 1.000 10.133 0 123 ASN A OD1 1 ? 
ATOM   905  N  ND2 . ASN A 1 123 ? -10.768 -12.172 -13.856 1.000 13.652 0 123 ASN A ND2 1 ? 
ATOM   906  N  N   . THR A 1 124 ? -11.729 -16.773 -13.230 1.000 7.842  0 124 THR A N   1 ? 
ATOM   907  C  CA  . THR A 1 124 ? -12.300 -17.741 -14.170 1.000 8.385  0 124 THR A CA  1 ? 
ATOM   908  C  C   . THR A 1 124 ? -12.922 -17.070 -15.394 1.000 10.245 0 124 THR A C   1 ? 
ATOM   909  O  O   . THR A 1 124 ? -13.403 -17.778 -16.265 1.000 10.820 0 124 THR A O   1 ? 
ATOM   910  C  CB  . THR A 1 124 ? -13.286 -18.707 -13.495 1.000 8.483  0 124 THR A CB  1 ? 
ATOM   911  O  OG1 . THR A 1 124 ? -14.386 -17.911 -13.021 1.000 10.308 0 124 THR A OG1 1 ? 
ATOM   912  C  CG2 . THR A 1 124 ? -12.633 -19.499 -12.369 1.000 8.243  0 124 THR A CG2 1 ? 
ATOM   913  N  N   . LYS A 1 125 ? -12.909 -15.741 -15.478 1.000 11.531 0 125 LYS A N   1 ? 
ATOM   914  C  CA  . LYS A 1 125 ? -13.459 -15.082 -16.655 1.000 15.513 0 125 LYS A CA  1 ? 
ATOM   915  C  C   . LYS A 1 125 ? -12.387 -14.322 -17.423 1.000 15.463 0 125 LYS A C   1 ? 
ATOM   916  O  O   . LYS A 1 125 ? -11.474 -13.730 -16.854 1.000 16.051 0 125 LYS A O   1 ? 
ATOM   917  C  CB  . LYS A 1 125 ? -14.425 -13.990 -16.222 1.000 20.221 0 125 LYS A CB  1 ? 
ATOM   918  C  CG  . LYS A 1 125 ? -15.518 -14.469 -15.314 1.000 24.452 0 125 LYS A CG  1 ? 
ATOM   919  C  CD  . LYS A 1 125 ? -16.592 -15.355 -15.919 1.000 28.124 0 125 LYS A CD  1 ? 
ATOM   920  C  CE  . LYS A 1 125 ? -17.911 -15.021 -15.224 1.000 29.680 0 125 LYS A CE  1 ? 
ATOM   921  N  NZ  . LYS A 1 125 ? -19.057 -15.641 -15.893 1.000 33.126 0 125 LYS A NZ  1 ? 
ATOM   922  N  N   . SER A 1 126 ? -12.544 -14.239 -18.743 1.000 18.133 0 126 SER A N   1 ? 
ATOM   923  C  CA  . SER A 1 126 ? -11.609 -13.518 -19.589 1.000 21.016 0 126 SER A CA  1 ? 
ATOM   924  C  C   . SER A 1 126 ? -12.077 -12.087 -19.879 1.000 22.268 0 126 SER A C   1 ? 
ATOM   925  O  O   . SER A 1 126 ? -11.252 -11.251 -20.269 1.000 21.989 0 126 SER A O   1 ? 
ATOM   926  C  CB  . SER A 1 126 ? -11.433 -14.278 -20.872 1.000 20.328 0 126 SER A CB  1 ? 
ATOM   927  O  OG  . SER A 1 126 ? -12.690 -14.485 -21.515 1.000 22.111 0 126 SER A OG  1 ? 
ATOM   928  N  N   . SER A 1 127 ? -13.399 -11.843 -19.729 1.000 22.713 0 127 SER A N   1 ? 
ATOM   929  C  CA  . SER A 1 127 ? -14.043 -10.553 -19.958 1.000 25.023 0 127 SER A CA  1 ? 
ATOM   930  C  C   . SER A 1 127 ? -15.038 -10.271 -18.835 1.000 27.673 0 127 SER A C   1 ? 
ATOM   931  O  O   . SER A 1 127 ? -16.204 -9.906  -19.045 1.000 30.115 0 127 SER A O   1 ? 
ATOM   932  C  CB  . SER A 1 127 ? -14.765 -10.502 -21.288 1.000 26.392 0 127 SER A CB  1 ? 
ATOM   933  O  OG  . SER A 1 127 ? -13.863 -10.362 -22.379 1.000 28.277 0 127 SER A OG  1 ? 
ATOM   934  N  N   . GLY A 1 128 ? -14.519 -10.368 -17.632 1.000 23.874 0 128 GLY A N   1 ? 
ATOM   935  C  CA  . GLY A 1 128 ? -15.319 -10.494 -16.437 1.000 21.910 0 128 GLY A CA  1 ? 
ATOM   936  C  C   . GLY A 1 128 ? -14.368 -10.679 -15.268 1.000 21.926 0 128 GLY A C   1 ? 
ATOM   937  O  O   . GLY A 1 128 ? -13.141 -10.717 -15.466 1.000 21.958 0 128 GLY A O   1 ? 
ATOM   938  N  N   . THR A 1 129 ? -14.965 -10.726 -14.073 1.000 20.484 0 129 THR A N   1 ? 
ATOM   939  C  CA  . THR A 1 129 ? -14.261 -11.076 -12.856 1.000 19.979 0 129 THR A CA  1 ? 
ATOM   940  C  C   . THR A 1 129 ? -15.114 -12.024 -12.039 1.000 16.359 0 129 THR A C   1 ? 
ATOM   941  O  O   . THR A 1 129 ? -16.186 -11.668 -11.569 1.000 18.151 0 129 THR A O   1 ? 
ATOM   942  C  CB  . THR A 1 129 ? -13.978 -9.815  -12.053 1.000 26.681 0 129 THR A CB  1 ? 
ATOM   943  O  OG1 . THR A 1 129 ? -13.084 -9.162  -12.946 1.000 30.143 0 129 THR A OG1 1 ? 
ATOM   944  C  CG2 . THR A 1 129 ? -13.229 -10.101 -10.772 1.000 25.516 0 129 THR A CG2 1 ? 
ATOM   945  N  N   . SER A 1 130 ? -14.586 -13.223 -11.797 1.000 13.752 0 130 SER A N   1 ? 
ATOM   946  C  CA  . SER A 1 130 ? -15.187 -14.171 -10.880 1.000 12.831 0 130 SER A CA  1 ? 
ATOM   947  C  C   . SER A 1 130 ? -14.090 -15.076 -10.321 1.000 12.174 0 130 SER A C   1 ? 
ATOM   948  O  O   . SER A 1 130 ? -13.426 -15.818 -11.058 1.000 11.386 0 130 SER A O   1 ? 
ATOM   949  C  CB  . SER A 1 130 ? -16.239 -15.002 -11.499 1.000 14.623 0 130 SER A CB  1 ? 
ATOM   950  O  OG  . SER A 1 130 ? -16.826 -15.849 -10.515 1.000 15.486 0 130 SER A OG  1 ? 
ATOM   951  N  N   . TYR A 1 131 ? -13.919 -15.036 -9.000  1.000 9.990  0 131 TYR A N   1 ? 
ATOM   952  C  CA  . TYR A 1 131 ? -12.878 -15.775 -8.308  1.000 9.855  0 131 TYR A CA  1 ? 
ATOM   953  C  C   . TYR A 1 131 ? -13.522 -16.961 -7.609  1.000 9.735  0 131 TYR A C   1 ? 
ATOM   954  O  O   . TYR A 1 131 ? -14.491 -16.826 -6.853  1.000 11.011 0 131 TYR A O   1 ? 
ATOM   955  C  CB  . TYR A 1 131 ? -12.134 -14.881 -7.324  1.000 10.081 0 131 TYR A CB  1 ? 
ATOM   956  C  CG  . TYR A 1 131 ? -11.193 -13.931 -8.028  1.000 11.551 0 131 TYR A CG  1 ? 
ATOM   957  C  CD1 . TYR A 1 131 ? -11.626 -12.713 -8.531  1.000 12.235 0 131 TYR A CD1 1 ? 
ATOM   958  C  CD2 . TYR A 1 131 ? -9.890  -14.318 -8.298  1.000 11.848 0 131 TYR A CD2 1 ? 
ATOM   959  C  CE1 . TYR A 1 131 ? -10.751 -11.866 -9.185  1.000 13.129 0 131 TYR A CE1 1 ? 
ATOM   960  C  CE2 . TYR A 1 131 ? -9.016  -13.494 -8.965  1.000 12.977 0 131 TYR A CE2 1 ? 
ATOM   961  C  CZ  . TYR A 1 131 ? -9.448  -12.255 -9.393  1.000 13.662 0 131 TYR A CZ  1 ? 
ATOM   962  O  OH  . TYR A 1 131 ? -8.539  -11.485 -10.060 1.000 17.223 0 131 TYR A OH  1 ? 
ATOM   963  N  N   . PRO A 1 132 ? -13.025 -18.181 -7.902  1.000 8.505  0 132 PRO A N   1 ? 
ATOM   964  C  CA  . PRO A 1 132 ? -13.576 -19.407 -7.367  1.000 8.136  0 132 PRO A CA  1 ? 
ATOM   965  C  C   . PRO A 1 132 ? -13.101 -19.592 -5.925  1.000 8.597  0 132 PRO A C   1 ? 
ATOM   966  O  O   . PRO A 1 132 ? -12.087 -19.079 -5.510  1.000 11.862 0 132 PRO A O   1 ? 
ATOM   967  C  CB  . PRO A 1 132 ? -12.995 -20.493 -8.299  1.000 8.335  0 132 PRO A CB  1 ? 
ATOM   968  C  CG  . PRO A 1 132 ? -11.613 -19.949 -8.579  1.000 8.397  0 132 PRO A CG  1 ? 
ATOM   969  C  CD  . PRO A 1 132 ? -11.828 -18.441 -8.731  1.000 8.203  0 132 PRO A CD  1 ? 
ATOM   970  N  N   . ASP A 1 133 ? -13.851 -20.358 -5.198  1.000 8.961  0 133 ASP A N   1 ? 
ATOM   971  C  CA  . ASP A 1 133 ? -13.478 -20.787 -3.870  1.000 8.824  0 133 ASP A CA  1 ? 
ATOM   972  C  C   . ASP A 1 133 ? -12.696 -22.105 -3.900  1.000 8.445  0 133 ASP A C   1 ? 
ATOM   973  O  O   . ASP A 1 133 ? -11.806 -22.304 -3.061  1.000 7.951  0 133 ASP A O   1 ? 
ATOM   974  C  CB  . ASP A 1 133 ? -14.702 -20.833 -2.981  1.000 10.747 0 133 ASP A CB  1 ? 
ATOM   975  C  CG  . ASP A 1 133 ? -15.427 -19.509 -2.846  1.000 13.581 0 133 ASP A CG  1 ? 
ATOM   976  O  OD1 . ASP A 1 133 ? -14.792 -18.513 -2.536  1.000 15.231 0 133 ASP A OD1 1 ? 
ATOM   977  O  OD2 . ASP A 1 133 ? -16.654 -19.467 -3.124  1.000 19.072 0 133 ASP A OD2 1 ? 
ATOM   978  N  N   . VAL A 1 134 ? -13.036 -23.017 -4.823  1.000 7.225  0 134 VAL A N   1 ? 
ATOM   979  C  CA  . VAL A 1 134 ? -12.382 -24.293 -4.946  1.000 7.048  0 134 VAL A CA  1 ? 
ATOM   980  C  C   . VAL A 1 134 ? -11.346 -24.287 -6.069  1.000 6.112  0 134 VAL A C   1 ? 
ATOM   981  O  O   . VAL A 1 134 ? -11.343 -23.420 -6.921  1.000 6.154  0 134 VAL A O   1 ? 
ATOM   982  C  CB  . VAL A 1 134 ? -13.346 -25.443 -5.125  1.000 7.836  0 134 VAL A CB  1 ? 
ATOM   983  C  CG1 . VAL A 1 134 ? -14.285 -25.543 -3.896  1.000 7.702  0 134 VAL A CG1 1 ? 
ATOM   984  C  CG2 . VAL A 1 134 ? -14.088 -25.328 -6.443  1.000 8.369  0 134 VAL A CG2 1 ? 
ATOM   985  N  N   . LEU A 1 135 ? -10.407 -25.201 -5.972  1.000 5.757  0 135 LEU A N   1 ? 
ATOM   986  C  CA  . LEU A 1 135 ? -9.267  -25.220 -6.884  1.000 5.518  0 135 LEU A CA  1 ? 
ATOM   987  C  C   . LEU A 1 135 ? -9.708  -25.590 -8.295  1.000 5.910  0 135 LEU A C   1 ? 
ATOM   988  O  O   . LEU A 1 135 ? -10.424 -26.570 -8.493  1.000 6.439  0 135 LEU A O   1 ? 
ATOM   989  C  CB  . LEU A 1 135 ? -8.162  -26.157 -6.409  1.000 5.360  0 135 LEU A CB  1 ? 
ATOM   990  C  CG  . LEU A 1 135 ? -6.841  -26.129 -7.177  1.000 5.284  0 135 LEU A CG  1 ? 
ATOM   991  C  CD1 . LEU A 1 135 ? -6.134  -24.794 -7.017  1.000 5.124  0 135 LEU A CD1 1 ? 
ATOM   992  C  CD2 . LEU A 1 135 ? -5.987  -27.284 -6.665  1.000 5.862  0 135 LEU A CD2 1 ? 
ATOM   993  N  N   . LYS A 1 136 ? -9.238  -24.834 -9.281  1.000 5.454  0 136 LYS A N   1 ? 
ATOM   994  C  CA  . LYS A 1 136 ? -9.511  -25.081 -10.698 1.000 5.654  0 136 LYS A CA  1 ? 
ATOM   995  C  C   . LYS A 1 136 ? -8.241  -25.595 -11.381 1.000 5.664  0 136 LYS A C   1 ? 
ATOM   996  O  O   . LYS A 1 136 ? -7.121  -25.292 -11.003 1.000 5.499  0 136 LYS A O   1 ? 
ATOM   997  C  CB  . LYS A 1 136 ? -10.061 -23.842 -11.415 1.000 6.623  0 136 LYS A CB  1 ? 
ATOM   998  C  CG  . LYS A 1 136 ? -11.355 -23.296 -10.851 1.000 8.454  0 136 LYS A CG  1 ? 
ATOM   999  C  CD  . LYS A 1 136 ? -12.557 -24.171 -11.195 1.000 11.321 0 136 LYS A CD  1 ? 
ATOM   1000 C  CE  . LYS A 1 136 ? -13.883 -23.694 -10.688 1.000 14.777 0 136 LYS A CE  1 ? 
ATOM   1001 N  NZ  . LYS A 1 136 ? -14.816 -24.625 -11.345 1.000 16.266 0 136 LYS A NZ  1 ? 
ATOM   1002 N  N   . CYS A 1 137 ? -8.495  -26.359 -12.452 1.000 5.160  0 137 CYS A N   1 ? 
ATOM   1003 C  CA  . CYS A 1 137 ? -7.489  -27.100 -13.195 1.000 5.607  0 137 CYS A CA  1 ? 
ATOM   1004 C  C   . CYS A 1 137 ? -7.682  -26.853 -14.695 1.000 5.501  0 137 CYS A C   1 ? 
ATOM   1005 O  O   . CYS A 1 137 ? -8.810  -26.681 -15.170 1.000 6.027  0 137 CYS A O   1 ? 
ATOM   1006 C  CB  . CYS A 1 137 ? -7.623  -28.596 -12.919 1.000 6.742  0 137 CYS A CB  1 ? 
ATOM   1007 S  SG  . CYS A 1 137 ? -6.767  -29.180 -11.431 1.000 6.325  0 137 CYS A SG  1 ? 
ATOM   1008 N  N   . LEU A 1 138 ? -6.586  -26.993 -15.438 1.000 5.884  0 138 LEU A N   1 ? 
ATOM   1009 C  CA  . LEU A 1 138 ? -6.588  -26.906 -16.896 1.000 6.033  0 138 LEU A CA  1 ? 
ATOM   1010 C  C   . LEU A 1 138 ? -5.477  -27.801 -17.423 1.000 6.362  0 138 LEU A C   1 ? 
ATOM   1011 O  O   . LEU A 1 138 ? -4.340  -27.726 -16.998 1.000 6.906  0 138 LEU A O   1 ? 
ATOM   1012 C  CB  . LEU A 1 138 ? -6.358  -25.457 -17.336 1.000 6.639  0 138 LEU A CB  1 ? 
ATOM   1013 C  CG  . LEU A 1 138 ? -6.199  -25.230 -18.844 1.000 7.135  0 138 LEU A CG  1 ? 
ATOM   1014 C  CD1 . LEU A 1 138 ? -7.512  -25.520 -19.525 1.000 7.673  0 138 LEU A CD1 1 ? 
ATOM   1015 C  CD2 . LEU A 1 138 ? -5.644  -23.852 -19.191 1.000 7.358  0 138 LEU A CD2 1 ? 
ATOM   1016 N  N   . LYS A 1 139 ? -5.860  -28.680 -18.366 1.000 6.154  0 139 LYS A N   1 ? 
ATOM   1017 C  CA  . LYS A 1 139 ? -4.874  -29.437 -19.098 1.000 6.803  0 139 LYS A CA  1 ? 
ATOM   1018 C  C   . LYS A 1 139 ? -4.493  -28.624 -20.330 1.000 6.666  0 139 LYS A C   1 ? 
ATOM   1019 O  O   . LYS A 1 139 ? -5.384  -28.208 -21.075 1.000 8.327  0 139 LYS A O   1 ? 
ATOM   1020 C  CB  . LYS A 1 139 ? -5.384  -30.848 -19.423 1.000 7.476  0 139 LYS A CB  1 ? 
ATOM   1021 C  CG  . LYS A 1 139 ? -5.489  -31.696 -18.184 1.000 8.275  0 139 LYS A CG  1 ? 
ATOM   1022 C  CD  . LYS A 1 139 ? -5.841  -33.137 -18.489 1.000 8.593  0 139 LYS A CD  1 ? 
ATOM   1023 C  CE  . LYS A 1 139 ? -6.020  -33.904 -17.220 1.000 9.450  0 139 LYS A CE  1 ? 
ATOM   1024 N  NZ  . LYS A 1 139 ? -6.333  -35.308 -17.567 1.000 10.682 0 139 LYS A NZ  1 ? 
ATOM   1025 N  N   . ALA A 1 140 ? -3.193  -28.416 -20.530 1.000 7.447  0 140 ALA A N   1 ? 
ATOM   1026 C  CA  . ALA A 1 140 ? -2.747  -27.613 -21.649 1.000 7.760  0 140 ALA A CA  1 ? 
ATOM   1027 C  C   . ALA A 1 140 ? -1.392  -28.088 -22.124 1.000 7.713  0 140 ALA A C   1 ? 
ATOM   1028 O  O   . ALA A 1 140 ? -0.527  -28.457 -21.330 1.000 7.942  0 140 ALA A O   1 ? 
ATOM   1029 C  CB  . ALA A 1 140 ? -2.658  -26.192 -21.188 1.000 8.844  0 140 ALA A CB  1 ? 
ATOM   1030 N  N   . PRO A 1 141 ? -1.126  -27.955 -23.433 1.000 7.515  0 141 PRO A N   1 ? 
ATOM   1031 C  CA  . PRO A 1 141 ? 0.186   -28.261 -23.956 1.000 7.640  0 141 PRO A CA  1 ? 
ATOM   1032 C  C   . PRO A 1 141 ? 1.177   -27.119 -23.933 1.000 7.174  0 141 PRO A C   1 ? 
ATOM   1033 O  O   . PRO A 1 141 ? 0.819   -25.948 -24.102 1.000 7.400  0 141 PRO A O   1 ? 
ATOM   1034 C  CB  . PRO A 1 141 ? -0.179  -28.648 -25.387 1.000 8.028  0 141 PRO A CB  1 ? 
ATOM   1035 C  CG  . PRO A 1 141 ? -1.285  -27.731 -25.727 1.000 8.257  0 141 PRO A CG  1 ? 
ATOM   1036 C  CD  . PRO A 1 141 ? -2.087  -27.549 -24.466 1.000 7.929  0 141 PRO A CD  1 ? 
ATOM   1037 N  N   . ILE A 1 142 ? 2.440   -27.510 -23.889 1.000 7.860  0 142 ILE A N   1 ? 
ATOM   1038 C  CA  . ILE A 1 142 ? 3.512   -26.569 -24.107 1.000 8.100  0 142 ILE A CA  1 ? 
ATOM   1039 C  C   . ILE A 1 142 ? 3.506   -26.190 -25.582 1.000 8.855  0 142 ILE A C   1 ? 
ATOM   1040 O  O   . ILE A 1 142 ? 3.324   -27.070 -26.423 1.000 10.511 0 142 ILE A O   1 ? 
ATOM   1041 C  CB  . ILE A 1 142 ? 4.855   -27.156 -23.639 1.000 9.311  0 142 ILE A CB  1 ? 
ATOM   1042 C  CG1 . ILE A 1 142 ? 4.827   -27.469 -22.091 1.000 9.720  0 142 ILE A CG1 1 ? 
ATOM   1043 C  CG2 . ILE A 1 142 ? 6.031   -26.276 -24.007 1.000 10.557 0 142 ILE A CG2 1 ? 
ATOM   1044 C  CD1 . ILE A 1 142 ? 6.056   -28.209 -21.580 1.000 11.874 0 142 ILE A CD1 1 ? 
ATOM   1045 N  N   . LEU A 1 143 ? 3.713   -24.916 -25.867 1.000 8.388  0 143 LEU A N   1 ? 
ATOM   1046 C  CA  . LEU A 1 143 ? 3.800   -24.434 -27.241 1.000 8.276  0 143 LEU A CA  1 ? 
ATOM   1047 C  C   . LEU A 1 143 ? 5.258   -24.274 -27.651 1.000 8.890  0 143 LEU A C   1 ? 
ATOM   1048 O  O   . LEU A 1 143 ? 6.136   -24.122 -26.816 1.000 9.420  0 143 LEU A O   1 ? 
ATOM   1049 C  CB  . LEU A 1 143 ? 3.067   -23.100 -27.347 1.000 9.665  0 143 LEU A CB  1 ? 
ATOM   1050 C  CG  . LEU A 1 143 ? 1.583   -23.185 -26.962 1.000 10.868 0 143 LEU A CG  1 ? 
ATOM   1051 C  CD1 . LEU A 1 143 ? 0.963   -21.828 -26.783 1.000 11.595 0 143 LEU A CD1 1 ? 
ATOM   1052 C  CD2 . LEU A 1 143 ? 0.761   -23.990 -27.922 1.000 14.739 0 143 LEU A CD2 1 ? 
ATOM   1053 N  N   . SER A 1 144 ? 5.491   -24.316 -28.967 1.000 8.783  0 144 SER A N   1 ? 
ATOM   1054 C  CA  . SER A 1 144 ? 6.830   -24.164 -29.506 1.000 9.736  0 144 SER A CA  1 ? 
ATOM   1055 C  C   . SER A 1 144 ? 7.422   -22.815 -29.097 1.000 9.561  0 144 SER A C   1 ? 
ATOM   1056 O  O   . SER A 1 144 ? 6.703   -21.821 -29.004 1.000 9.820  0 144 SER A O   1 ? 
ATOM   1057 C  CB  . SER A 1 144 ? 6.824   -24.266 -31.015 1.000 10.719 0 144 SER A CB  1 ? 
ATOM   1058 O  OG  . SER A 1 144 ? 6.015   -23.286 -31.657 1.000 12.537 0 144 SER A OG  1 ? 
ATOM   1059 N  N   . ASP A 1 145 ? 8.744   -22.741 -28.953 1.000 11.480 0 145 ASP A N   1 ? 
ATOM   1060 C  CA  . ASP A 1 145 ? 9.439   -21.488 -28.729 1.000 11.998 0 145 ASP A CA  1 ? 
ATOM   1061 C  C   . ASP A 1 145 ? 9.095   -20.508 -29.836 1.000 12.080 0 145 ASP A C   1 ? 
ATOM   1062 O  O   . ASP A 1 145 ? 8.838   -19.339 -29.555 1.000 9.991  0 145 ASP A O   1 ? 
ATOM   1063 C  CB  . ASP A 1 145 ? 10.947  -21.713 -28.670 1.000 14.301 0 145 ASP A CB  1 ? 
ATOM   1064 C  CG  . ASP A 1 145 ? 11.774  -20.499 -28.296 1.000 18.810 0 145 ASP A CG  1 ? 
ATOM   1065 O  OD1 . ASP A 1 145 ? 11.466  -19.851 -27.255 1.000 22.154 0 145 ASP A OD1 1 ? 
ATOM   1066 O  OD2 . ASP A 1 145 ? 12.761  -20.221 -29.044 1.000 23.244 0 145 ASP A OD2 1 ? 
ATOM   1067 N  N   . SER A 1 146 ? 9.071   -20.962 -31.094 1.000 13.223 0 146 SER A N   1 ? 
ATOM   1068 C  CA  . SER A 1 146 ? 8.804   -20.029 -32.180 1.000 13.681 0 146 SER A CA  1 ? 
ATOM   1069 C  C   . SER A 1 146 ? 7.380   -19.476 -32.102 1.000 11.620 0 146 SER A C   1 ? 
ATOM   1070 O  O   . SER A 1 146 ? 7.174   -18.266 -32.315 1.000 11.898 0 146 SER A O   1 ? 
ATOM   1071 C  CB  . SER A 1 146 ? 9.066   -20.590 -33.566 1.000 15.720 0 146 SER A CB  1 ? 
ATOM   1072 O  OG  . SER A 1 146 ? 8.375   -21.803 -33.738 1.000 22.987 0 146 SER A OG  1 ? 
ATOM   1073 N  N   . SER A 1 147 ? 6.367   -20.278 -31.735 1.000 10.572 0 147 SER A N   1 ? 
ATOM   1074 C  CA  . SER A 1 147 ? 5.035   -19.703 -31.668 1.000 11.118 0 147 SER A CA  1 ? 
ATOM   1075 C  C   . SER A 1 147 ? 4.928   -18.777 -30.462 1.000 10.135 0 147 SER A C   1 ? 
ATOM   1076 O  O   . SER A 1 147 ? 4.241   -17.765 -30.522 1.000 10.443 0 147 SER A O   1 ? 
ATOM   1077 C  CB  . SER A 1 147 ? 3.916   -20.693 -31.702 1.000 14.372 0 147 SER A CB  1 ? 
ATOM   1078 O  OG  . SER A 1 147 ? 3.901   -21.484 -30.550 1.000 17.506 0 147 SER A OG  1 ? 
ATOM   1079 N  N   . CYS A 1 148 ? 5.668   -19.088 -29.390 1.000 9.826  0 148 CYS A N   1 ? 
ATOM   1080 C  CA  . CYS A 1 148 ? 5.683   -18.246 -28.205 1.000 8.305  0 148 CYS A CA  1 ? 
ATOM   1081 C  C   . CYS A 1 148 ? 6.262   -16.864 -28.527 1.000 8.464  0 148 CYS A C   1 ? 
ATOM   1082 O  O   . CYS A 1 148 ? 5.664   -15.841 -28.208 1.000 8.667  0 148 CYS A O   1 ? 
ATOM   1083 C  CB  . CYS A 1 148 ? 6.420   -18.995 -27.099 1.000 8.068  0 148 CYS A CB  1 ? 
ATOM   1084 S  SG  . CYS A 1 148 ? 6.362   -18.233 -25.465 1.000 8.566  0 148 CYS A SG  1 ? 
ATOM   1085 N  N   . LYS A 1 149 ? 7.414   -16.848 -29.190 1.000 9.744  0 149 LYS A N   1 ? 
ATOM   1086 C  CA  . LYS A 1 149 ? 8.061   -15.619 -29.596 1.000 10.644 0 149 LYS A CA  1 ? 
ATOM   1087 C  C   . LYS A 1 149 ? 7.231   -14.840 -30.602 1.000 11.267 0 149 LYS A C   1 ? 
ATOM   1088 O  O   . LYS A 1 149 ? 7.188   -13.597 -30.560 1.000 11.645 0 149 LYS A O   1 ? 
ATOM   1089 C  CB  . LYS A 1 149 ? 9.486   -15.889 -30.092 1.000 11.392 0 149 LYS A CB  1 ? 
ATOM   1090 C  CG  . LYS A 1 149 ? 10.381  -16.346 -29.000 1.000 12.768 0 149 LYS A CG  1 ? 
ATOM   1091 C  CD  . LYS A 1 149 ? 11.740  -16.814 -29.460 1.000 15.091 0 149 LYS A CD  1 ? 
ATOM   1092 C  CE  . LYS A 1 149 ? 12.662  -16.831 -28.272 1.000 18.358 0 149 LYS A CE  1 ? 
ATOM   1093 N  NZ  . LYS A 1 149 ? 13.891  -17.511 -28.685 1.000 22.394 0 149 LYS A NZ  1 ? 
ATOM   1094 N  N   . SER A 1 150 ? 6.510   -15.523 -31.481 1.000 10.179 0 150 SER A N   1 ? 
ATOM   1095 C  CA  . SER A 1 150 ? 5.656   -14.862 -32.467 1.000 11.950 0 150 SER A CA  1 ? 
ATOM   1096 C  C   . SER A 1 150 ? 4.463   -14.198 -31.790 1.000 11.560 0 150 SER A C   1 ? 
ATOM   1097 O  O   . SER A 1 150 ? 4.006   -13.144 -32.233 1.000 12.883 0 150 SER A O   1 ? 
ATOM   1098 C  CB  . SER A 1 150 ? 5.162   -15.830 -33.502 1.000 14.534 0 150 SER A CB  1 ? 
ATOM   1099 O  OG  . SER A 1 150 ? 6.237   -16.207 -34.348 1.000 19.565 0 150 SER A OG  1 ? 
ATOM   1100 N  N   . ALA A 1 151 ? 3.942   -14.819 -30.714 1.000 9.341  0 151 ALA A N   1 ? 
ATOM   1101 C  CA  . ALA A 1 151 ? 2.828   -14.260 -29.962 1.000 10.003 0 151 ALA A CA  1 ? 
ATOM   1102 C  C   . ALA A 1 151 ? 3.244   -13.000 -29.187 1.000 9.397  0 151 ALA A C   1 ? 
ATOM   1103 O  O   . ALA A 1 151 ? 2.435   -12.077 -29.008 1.000 9.250  0 151 ALA A O   1 ? 
ATOM   1104 C  CB  . ALA A 1 151 ? 2.294   -15.293 -29.018 1.000 9.954  0 151 ALA A CB  1 ? 
ATOM   1105 N  N   . TYR A 1 152 ? 4.498   -12.978 -28.711 1.000 9.187  0 152 TYR A N   1 ? 
ATOM   1106 C  CA  . TYR A 1 152 ? 4.977   -11.929 -27.843 1.000 8.796  0 152 TYR A CA  1 ? 
ATOM   1107 C  C   . TYR A 1 152 ? 6.357   -11.458 -28.293 1.000 9.052  0 152 TYR A C   1 ? 
ATOM   1108 O  O   . TYR A 1 152 ? 7.389   -11.715 -27.684 1.000 9.001  0 152 TYR A O   1 ? 
ATOM   1109 C  CB  . TYR A 1 152 ? 5.119   -12.446 -26.406 1.000 8.283  0 152 TYR A CB  1 ? 
ATOM   1110 C  CG  . TYR A 1 152 ? 3.799   -12.779 -25.715 1.000 7.680  0 152 TYR A CG  1 ? 
ATOM   1111 C  CD1 . TYR A 1 152 ? 2.955   -11.784 -25.250 1.000 8.218  0 152 TYR A CD1 1 ? 
ATOM   1112 C  CD2 . TYR A 1 152 ? 3.401   -14.100 -25.501 1.000 7.841  0 152 TYR A CD2 1 ? 
ATOM   1113 C  CE1 . TYR A 1 152 ? 1.760   -12.082 -24.631 1.000 8.395  0 152 TYR A CE1 1 ? 
ATOM   1114 C  CE2 . TYR A 1 152 ? 2.208   -14.409 -24.848 1.000 7.374  0 152 TYR A CE2 1 ? 
ATOM   1115 C  CZ  . TYR A 1 152 ? 1.392   -13.399 -24.373 1.000 7.245  0 152 TYR A CZ  1 ? 
ATOM   1116 O  OH  . TYR A 1 152 ? 0.206   -13.679 -23.759 1.000 8.592  0 152 TYR A OH  1 ? 
ATOM   1117 N  N   . PRO A 1 153 ? 6.425   -10.741 -29.432 1.000 10.859 0 153 PRO A N   1 ? 
ATOM   1118 C  CA  . PRO A 1 153 ? 7.681   -10.257 -29.984 1.000 11.481 0 153 PRO A CA  1 ? 
ATOM   1119 C  C   . PRO A 1 153 ? 8.508   -9.480  -28.984 1.000 10.213 0 153 PRO A C   1 ? 
ATOM   1120 O  O   . PRO A 1 153 ? 7.978   -8.641  -28.276 1.000 11.092 0 153 PRO A O   1 ? 
ATOM   1121 C  CB  . PRO A 1 153 ? 7.272   -9.323  -31.143 1.000 12.594 0 153 PRO A CB  1 ? 
ATOM   1122 C  CG  . PRO A 1 153 ? 5.830   -9.729  -31.427 1.000 12.461 0 153 PRO A CG  1 ? 
ATOM   1123 C  CD  . PRO A 1 153 ? 5.235   -10.370 -30.208 1.000 11.933 0 153 PRO A CD  1 ? 
ATOM   1124 N  N   . GLY A 1 154 ? 9.794   -9.858  -28.917 1.000 11.101 0 154 GLY A N   1 ? 
ATOM   1125 C  CA  . GLY A 1 154 ? 10.742  -9.124  -28.107 1.000 12.285 0 154 GLY A CA  1 ? 
ATOM   1126 C  C   . GLY A 1 154 ? 10.623  -9.358  -26.604 1.000 12.571 0 154 GLY A C   1 ? 
ATOM   1127 O  O   . GLY A 1 154 ? 11.301  -8.656  -25.866 1.000 15.770 0 154 GLY A O   1 ? 
ATOM   1128 N  N   . GLN A 1 155 ? 9.819   -10.345 -26.159 1.000 10.344 0 155 GLN A N   1 ? 
ATOM   1129 C  CA  . GLN A 1 155 ? 9.503   -10.447 -24.737 1.000 8.968  0 155 GLN A CA  1 ? 
ATOM   1130 C  C   . GLN A 1 155 ? 9.860   -11.807 -24.146 1.000 7.825  0 155 GLN A C   1 ? 
ATOM   1131 O  O   . GLN A 1 155 ? 9.797   -11.951 -22.924 1.000 8.088  0 155 GLN A O   1 ? 
ATOM   1132 C  CB  . GLN A 1 155 ? 8.020   -10.213 -24.492 1.000 8.927  0 155 GLN A CB  1 ? 
ATOM   1133 C  CG  . GLN A 1 155 ? 7.565   -8.821  -24.930 1.000 9.907  0 155 GLN A CG  1 ? 
ATOM   1134 C  CD  . GLN A 1 155 ? 6.077   -8.703  -25.206 1.000 12.119 0 155 GLN A CD  1 ? 
ATOM   1135 O  OE1 . GLN A 1 155 ? 5.281   -8.750  -24.288 1.000 14.797 0 155 GLN A OE1 1 ? 
ATOM   1136 N  NE2 . GLN A 1 155 ? 5.686   -8.573  -26.486 1.000 13.289 0 155 GLN A NE2 1 ? 
ATOM   1137 N  N   . ILE A 1 156 ? 10.034  -12.849 -24.958 1.000 7.738  0 156 ILE A N   1 ? 
ATOM   1138 C  CA  . ILE A 1 156 ? 10.236  -14.201 -24.456 1.000 7.350  0 156 ILE A CA  1 ? 
ATOM   1139 C  C   . ILE A 1 156 ? 11.726  -14.469 -24.309 1.000 7.689  0 156 ILE A C   1 ? 
ATOM   1140 O  O   . ILE A 1 156 ? 12.484  -14.446 -25.285 1.000 9.926  0 156 ILE A O   1 ? 
ATOM   1141 C  CB  . ILE A 1 156 ? 9.538   -15.211 -25.381 1.000 7.488  0 156 ILE A CB  1 ? 
ATOM   1142 C  CG1 . ILE A 1 156 ? 8.047   -14.946 -25.538 1.000 7.828  0 156 ILE A CG1 1 ? 
ATOM   1143 C  CG2 . ILE A 1 156 ? 9.802   -16.645 -24.904 1.000 7.901  0 156 ILE A CG2 1 ? 
ATOM   1144 C  CD1 . ILE A 1 156 ? 7.293   -14.917 -24.218 1.000 7.371  0 156 ILE A CD1 1 ? 
ATOM   1145 N  N   . THR A 1 157 ? 12.171  -14.727 -23.075 1.000 7.109  0 157 THR A N   1 ? 
ATOM   1146 C  CA  . THR A 1 157 ? 13.545  -15.097 -22.799 1.000 7.025  0 157 THR A CA  1 ? 
ATOM   1147 C  C   . THR A 1 157 ? 13.703  -16.617 -22.742 1.000 6.772  0 157 THR A C   1 ? 
ATOM   1148 O  O   . THR A 1 157 ? 12.723  -17.348 -22.745 1.000 7.150  0 157 THR A O   1 ? 
ATOM   1149 C  CB  . THR A 1 157 ? 14.046  -14.440 -21.511 1.000 6.922  0 157 THR A CB  1 ? 
ATOM   1150 O  OG1 . THR A 1 157 ? 13.461  -15.188 -20.433 1.000 7.259  0 157 THR A OG1 1 ? 
ATOM   1151 C  CG2 . THR A 1 157 ? 13.730  -12.963 -21.421 1.000 7.707  0 157 THR A CG2 1 ? 
ATOM   1152 N  N   . SER A 1 158 ? 14.951  -17.053 -22.606 1.000 7.858  0 158 SER A N   1 ? 
ATOM   1153 C  CA  . SER A 1 158 ? 15.276  -18.456 -22.487 1.000 8.237  0 158 SER A CA  1 ? 
ATOM   1154 C  C   . SER A 1 158 ? 14.783  -19.046 -21.167 1.000 7.244  0 158 SER A C   1 ? 
ATOM   1155 O  O   . SER A 1 158 ? 14.786  -20.248 -20.993 1.000 7.802  0 158 SER A O   1 ? 
ATOM   1156 C  CB  . SER A 1 158 ? 16.757  -18.651 -22.632 1.000 10.335 0 158 SER A CB  1 ? 
ATOM   1157 O  OG  . SER A 1 158 ? 17.460  -18.021 -21.576 1.000 15.289 0 158 SER A OG  1 ? 
ATOM   1158 N  N   . ASN A 1 159 ? 14.273  -18.200 -20.268 1.000 6.132  0 159 ASN A N   1 ? 
ATOM   1159 C  CA  . ASN A 1 159 ? 13.737  -18.632 -18.987 1.000 6.077  0 159 ASN A CA  1 ? 
ATOM   1160 C  C   . ASN A 1 159 ? 12.213  -18.626 -18.978 1.000 5.739  0 159 ASN A C   1 ? 
ATOM   1161 O  O   . ASN A 1 159 ? 11.628  -18.728 -17.901 1.000 4.931  0 159 ASN A O   1 ? 
ATOM   1162 C  CB  . ASN A 1 159 ? 14.234  -17.735 -17.861 1.000 6.360  0 159 ASN A CB  1 ? 
ATOM   1163 C  CG  . ASN A 1 159 ? 15.737  -17.716 -17.817 1.000 6.860  0 159 ASN A CG  1 ? 
ATOM   1164 O  OD1 . ASN A 1 159 ? 16.351  -18.788 -17.754 1.000 7.946  0 159 ASN A OD1 1 ? 
ATOM   1165 N  ND2 . ASN A 1 159 ? 16.352  -16.547 -17.867 1.000 6.991  0 159 ASN A ND2 1 ? 
ATOM   1166 N  N   . MET A 1 160 ? 11.583  -18.598 -20.171 1.000 5.402  0 160 MET A N   1 ? 
ATOM   1167 C  CA  . MET A 1 160 ? 10.133  -18.535 -20.312 1.000 5.461  0 160 MET A CA  1 ? 
ATOM   1168 C  C   . MET A 1 160 ? 9.692   -19.534 -21.375 1.000 6.113  0 160 MET A C   1 ? 
ATOM   1169 O  O   . MET A 1 160 ? 10.443  -19.828 -22.310 1.000 7.610  0 160 MET A O   1 ? 
ATOM   1170 C  CB  . MET A 1 160 ? 9.681   -17.159 -20.802 1.000 5.711  0 160 MET A CB  1 ? 
ATOM   1171 C  CG  . MET A 1 160 ? 9.982   -16.087 -19.774 1.000 5.609  0 160 MET A CG  1 ? 
ATOM   1172 S  SD  . MET A 1 160 ? 9.643   -14.496 -20.527 1.000 6.064  0 160 MET A SD  1 ? 
ATOM   1173 C  CE  . MET A 1 160 ? 10.463  -13.400 -19.371 1.000 6.274  0 160 MET A CE  1 ? 
ATOM   1174 N  N   . PHE A 1 161 ? 8.528   -20.140 -21.156 1.000 5.431  0 161 PHE A N   1 ? 
ATOM   1175 C  CA  . PHE A 1 161 ? 7.842   -20.880 -22.225 1.000 6.031  0 161 PHE A CA  1 ? 
ATOM   1176 C  C   . PHE A 1 161 ? 6.358   -20.540 -22.231 1.000 6.499  0 161 PHE A C   1 ? 
ATOM   1177 O  O   . PHE A 1 161 ? 5.802   -20.119 -21.224 1.000 6.641  0 161 PHE A O   1 ? 
ATOM   1178 C  CB  . PHE A 1 161 ? 8.052   -22.387 -22.118 1.000 6.141  0 161 PHE A CB  1 ? 
ATOM   1179 C  CG  . PHE A 1 161 ? 7.387   -23.081 -20.932 1.000 5.978  0 161 PHE A CG  1 ? 
ATOM   1180 C  CD1 . PHE A 1 161 ? 8.037   -23.142 -19.705 1.000 6.465  0 161 PHE A CD1 1 ? 
ATOM   1181 C  CD2 . PHE A 1 161 ? 6.101   -23.602 -21.003 1.000 6.289  0 161 PHE A CD2 1 ? 
ATOM   1182 C  CE1 . PHE A 1 161 ? 7.464   -23.785 -18.625 1.000 6.025  0 161 PHE A CE1 1 ? 
ATOM   1183 C  CE2 . PHE A 1 161 ? 5.535   -24.250 -19.939 1.000 6.739  0 161 PHE A CE2 1 ? 
ATOM   1184 C  CZ  . PHE A 1 161 ? 6.203   -24.333 -18.737 1.000 6.220  0 161 PHE A CZ  1 ? 
ATOM   1185 N  N   . CYS A 1 162 ? 5.738   -20.757 -23.364 1.000 6.508  0 162 CYS A N   1 ? 
ATOM   1186 C  CA  . CYS A 1 162 ? 4.314   -20.582 -23.474 1.000 6.527  0 162 CYS A CA  1 ? 
ATOM   1187 C  C   . CYS A 1 162 ? 3.618   -21.932 -23.346 1.000 6.668  0 162 CYS A C   1 ? 
ATOM   1188 O  O   . CYS A 1 162 ? 4.108   -22.961 -23.823 1.000 6.313  0 162 CYS A O   1 ? 
ATOM   1189 C  CB  . CYS A 1 162 ? 3.928   -19.956 -24.813 1.000 6.532  0 162 CYS A CB  1 ? 
ATOM   1190 S  SG  . CYS A 1 162 ? 4.365   -18.227 -25.043 1.000 7.419  0 162 CYS A SG  1 ? 
ATOM   1191 N  N   . ALA A 1 163 ? 2.395   -21.917 -22.790 1.000 6.475  0 163 ALA A N   1 ? 
ATOM   1192 C  CA  . ALA A 1 163 ? 1.535   -23.095 -22.797 1.000 6.614  0 163 ALA A CA  1 ? 
ATOM   1193 C  C   . ALA A 1 163 ? 0.098   -22.654 -22.886 1.000 6.496  0 163 ALA A C   1 ? 
ATOM   1194 O  O   . ALA A 1 163 ? -0.238  -21.542 -22.483 1.000 6.495  0 163 ALA A O   1 ? 
ATOM   1195 C  CB  . ALA A 1 163 ? 1.764   -23.927 -21.566 1.000 6.995  0 163 ALA A CB  1 ? 
ATOM   1196 N  N   . GLY A 1 164 ? -0.720  -23.504 -23.492 1.000 6.366  0 164 GLY A N   1 ? 
ATOM   1197 C  CA  . GLY A 1 164 ? -2.117  -23.177 -23.681 1.000 7.229  0 164 GLY A CA  1 ? 
ATOM   1198 C  C   . GLY A 1 164 ? -2.567  -23.344 -25.127 1.000 7.812  0 164 GLY A C   1 ? 
ATOM   1199 O  O   . GLY A 1 164 ? -2.197  -24.317 -25.789 1.000 8.613  0 164 GLY A O   1 ? 
ATOM   1200 N  N   . TYR A 1 165 ? -3.447  -22.431 -25.531 1.000 8.289  0 165 TYR A N   1 ? 
ATOM   1201 C  CA  . TYR A 1 165 ? -4.203  -22.568 -26.778 1.000 9.076  0 165 TYR A CA  1 ? 
ATOM   1202 C  C   . TYR A 1 165 ? -4.215  -21.226 -27.476 1.000 10.565 0 165 TYR A C   1 ? 
ATOM   1203 O  O   . TYR A 1 165 ? -4.833  -20.302 -26.971 1.000 12.511 0 165 TYR A O   1 ? 
ATOM   1204 C  CB  . TYR A 1 165 ? -5.594  -23.046 -26.385 1.000 9.994  0 165 TYR A CB  1 ? 
ATOM   1205 C  CG  . TYR A 1 165 ? -5.624  -24.399 -25.713 1.000 10.263 0 165 TYR A CG  1 ? 
ATOM   1206 C  CD1 . TYR A 1 165 ? -5.628  -25.569 -26.439 1.000 9.542  0 165 TYR A CD1 1 ? 
ATOM   1207 C  CD2 . TYR A 1 165 ? -5.536  -24.493 -24.331 1.000 10.687 0 165 TYR A CD2 1 ? 
ATOM   1208 C  CE1 . TYR A 1 165 ? -5.637  -26.812 -25.828 1.000 10.233 0 165 TYR A CE1 1 ? 
ATOM   1209 C  CE2 . TYR A 1 165 ? -5.541  -25.727 -23.714 1.000 10.774 0 165 TYR A CE2 1 ? 
ATOM   1210 C  CZ  . TYR A 1 165 ? -5.571  -26.891 -24.458 1.000 10.091 0 165 TYR A CZ  1 ? 
ATOM   1211 O  OH  . TYR A 1 165 ? -5.563  -28.163 -23.929 1.000 12.516 0 165 TYR A OH  1 ? 
ATOM   1212 N  N   . LEU A 1 166 ? -3.707  -21.186 -28.707 1.000 9.651  0 166 LEU A N   1 ? 
ATOM   1213 C  CA  . LEU A 1 166 ? -3.714  -19.938 -29.465 1.000 11.456 0 166 LEU A CA  1 ? 
ATOM   1214 C  C   . LEU A 1 166 ? -5.116  -19.477 -29.853 1.000 11.855 0 166 LEU A C   1 ? 
ATOM   1215 O  O   . LEU A 1 166 ? -5.317  -18.268 -30.040 1.000 13.733 0 166 LEU A O   1 ? 
ATOM   1216 C  CB  . LEU A 1 166 ? -2.816  -20.111 -30.686 1.000 11.700 0 166 LEU A CB  1 ? 
ATOM   1217 C  CG  . LEU A 1 166 ? -1.325  -20.332 -30.407 1.000 12.660 0 166 LEU A CG  1 ? 
ATOM   1218 C  CD1 . LEU A 1 166 ? -0.632  -20.488 -31.749 1.000 14.376 0 166 LEU A CD1 1 ? 
ATOM   1219 C  CD2 . LEU A 1 166 ? -0.695  -19.241 -29.605 1.000 12.214 0 166 LEU A CD2 1 ? 
ATOM   1220 N  N   . GLU A 1 167 ? -6.093  -20.385 -29.891 1.000 12.863 0 167 GLU A N   1 ? 
ATOM   1221 C  CA  . GLU A 1 167 ? -7.450  -20.022 -30.273 1.000 15.191 0 167 GLU A CA  1 ? 
ATOM   1222 C  C   . GLU A 1 167 ? -8.134  -19.184 -29.195 1.000 14.423 0 167 GLU A C   1 ? 
ATOM   1223 O  O   . GLU A 1 167 ? -9.160  -18.554 -29.457 1.000 17.887 0 167 GLU A O   1 ? 
ATOM   1224 C  CB  . GLU A 1 167 ? -8.312  -21.223 -30.677 1.000 17.997 0 167 GLU A CB  1 ? 
ATOM   1225 C  CG  . GLU A 1 167 ? -8.465  -22.294 -29.599 1.000 22.731 0 167 GLU A CG  1 ? 
ATOM   1226 C  CD  . GLU A 1 167 ? -7.432  -23.425 -29.542 1.000 25.457 0 167 GLU A CD  1 ? 
ATOM   1227 O  OE1 . GLU A 1 167 ? -7.913  -24.555 -29.163 1.000 27.130 0 167 GLU A OE1 1 ? 
ATOM   1228 O  OE2 . GLU A 1 167 ? -6.199  -23.225 -29.827 1.000 22.134 0 167 GLU A OE2 1 ? 
ATOM   1229 N  N   . GLY A 1 168 ? -7.606  -19.223 -27.972 1.000 13.115 0 168 GLY A N   1 ? 
ATOM   1230 C  CA  . GLY A 1 168 ? -8.236  -18.526 -26.858 1.000 13.833 0 168 GLY A CA  1 ? 
ATOM   1231 C  C   . GLY A 1 168 ? -9.213  -19.435 -26.102 1.000 13.375 0 168 GLY A C   1 ? 
ATOM   1232 O  O   . GLY A 1 168 ? -9.571  -20.533 -26.561 1.000 15.988 0 168 GLY A O   1 ? 
ATOM   1233 N  N   . GLY A 1 169 ? -9.682  -18.927 -24.972 1.000 10.159 0 169 GLY A N   1 ? 
ATOM   1234 C  CA  . GLY A 1 169 ? -10.741 -19.573 -24.203 1.000 10.172 0 169 GLY A CA  1 ? 
ATOM   1235 C  C   . GLY A 1 169 ? -10.239 -20.391 -23.014 1.000 9.050  0 169 GLY A C   1 ? 
ATOM   1236 O  O   . GLY A 1 169 ? -11.019 -20.695 -22.124 1.000 9.500  0 169 GLY A O   1 ? 
ATOM   1237 N  N   . LYS A 1 170 ? -8.955  -20.760 -23.003 1.000 7.995  0 170 LYS A N   1 ? 
ATOM   1238 C  CA  . LYS A 1 170 ? -8.453  -21.657 -21.963 1.000 8.197  0 170 LYS A CA  1 ? 
ATOM   1239 C  C   . LYS A 1 170 ? -7.071  -21.123 -21.568 1.000 7.331  0 170 LYS A C   1 ? 
ATOM   1240 O  O   . LYS A 1 170 ? -6.117  -21.175 -22.344 1.000 8.478  0 170 LYS A O   1 ? 
ATOM   1241 C  CB  . LYS A 1 170 ? -8.361  -23.076 -22.531 1.000 9.470  0 170 LYS A CB  1 ? 
ATOM   1242 C  CG  . LYS A 1 170 ? -9.710  -23.779 -22.735 1.000 11.928 0 170 LYS A CG  1 ? 
ATOM   1243 C  CD  . LYS A 1 170 ? -9.648  -25.236 -23.190 1.000 16.130 0 170 LYS A CD  1 ? 
ATOM   1244 C  CE  . LYS A 1 170 ? -9.131  -25.422 -24.551 1.000 22.651 0 170 LYS A CE  1 ? 
ATOM   1245 N  NZ  . LYS A 1 170 ? -9.188  -26.865 -24.864 1.000 29.918 0 170 LYS A NZ  1 ? 
ATOM   1246 N  N   . ASP A 1 171 ? -6.911  -20.726 -20.292 1.000 6.255  0 171 ASP A N   1 ? 
ATOM   1247 C  CA  . ASP A 1 171 ? -5.644  -20.142 -19.858 1.000 5.719  0 171 ASP A CA  1 ? 
ATOM   1248 C  C   . ASP A 1 171 ? -5.627  -20.071 -18.325 1.000 5.601  0 171 ASP A C   1 ? 
ATOM   1249 O  O   . ASP A 1 171 ? -6.677  -20.206 -17.686 1.000 5.922  0 171 ASP A O   1 ? 
ATOM   1250 C  CB  . ASP A 1 171 ? -5.520  -18.712 -20.411 1.000 5.660  0 171 ASP A CB  1 ? 
ATOM   1251 C  CG  . ASP A 1 171 ? -4.165  -18.048 -20.451 1.000 6.384  0 171 ASP A CG  1 ? 
ATOM   1252 O  OD1 . ASP A 1 171 ? -3.171  -18.652 -20.064 1.000 5.817  0 171 ASP A OD1 1 ? 
ATOM   1253 O  OD2 . ASP A 1 171 ? -4.156  -16.874 -20.873 1.000 6.392  0 171 ASP A OD2 1 ? 
ATOM   1254 N  N   . SER A 1 172 ? -4.459  -19.796 -17.746 1.000 5.331  0 172 SER A N   1 ? 
ATOM   1255 C  CA  . SER A 1 172 ? -4.385  -19.264 -16.395 1.000 5.958  0 172 SER A CA  1 ? 
ATOM   1256 C  C   . SER A 1 172 ? -4.642  -17.747 -16.384 1.000 6.377  0 172 SER A C   1 ? 
ATOM   1257 O  O   . SER A 1 172 ? -4.796  -17.125 -17.434 1.000 6.134  0 172 SER A O   1 ? 
ATOM   1258 C  CB  . SER A 1 172 ? -3.066  -19.655 -15.779 1.000 6.779  0 172 SER A CB  1 ? 
ATOM   1259 O  OG  . SER A 1 172 ? -1.953  -19.120 -16.471 1.000 6.461  0 172 SER A OG  1 ? 
ATOM   1260 N  N   . CYS A 1 173 ? -4.732  -17.148 -15.195 1.000 6.022  0 173 CYS A N   1 ? 
ATOM   1261 C  CA  . CYS A 1 173 ? -5.177  -15.762 -15.072 1.000 6.758  0 173 CYS A CA  1 ? 
ATOM   1262 C  C   . CYS A 1 173 ? -4.692  -15.164 -13.760 1.000 7.562  0 173 CYS A C   1 ? 
ATOM   1263 O  O   . CYS A 1 173 ? -4.092  -15.827 -12.959 1.000 6.919  0 173 CYS A O   1 ? 
ATOM   1264 C  CB  . CYS A 1 173 ? -6.699  -15.740 -15.276 1.000 6.848  0 173 CYS A CB  1 ? 
ATOM   1265 S  SG  . CYS A 1 173 ? -7.380  -14.102 -15.721 1.000 8.099  0 173 CYS A SG  1 ? 
ATOM   1266 N  N   . GLN A 1 174 ? -4.976  -13.873 -13.558 1.000 7.854  0 174 GLN A N   1 ? 
ATOM   1267 C  CA  . GLN A 1 174 ? -4.752  -13.168 -12.311 1.000 9.526  0 174 GLN A CA  1 ? 
ATOM   1268 C  C   . GLN A 1 174 ? -5.190  -14.049 -11.137 1.000 7.929  0 174 GLN A C   1 ? 
ATOM   1269 O  O   . GLN A 1 174 ? -6.316  -14.557 -11.129 1.000 8.001  0 174 GLN A O   1 ? 
ATOM   1270 C  CB  . GLN A 1 174 ? -5.558  -11.858 -12.269 1.000 11.749 0 174 GLN A CB  1 ? 
ATOM   1271 C  CG  . GLN A 1 174 ? -4.961  -10.679 -13.044 1.000 14.662 0 174 GLN A CG  1 ? 
ATOM   1272 C  CD  . GLN A 1 174 ? -4.875  -10.845 -14.553 1.000 16.877 0 174 GLN A CD  1 ? 
ATOM   1273 O  OE1 . GLN A 1 174 ? -5.850  -11.153 -15.215 1.000 18.727 0 174 GLN A OE1 1 ? 
ATOM   1274 N  NE2 . GLN A 1 174 ? -3.720  -10.551 -15.111 1.000 19.676 0 174 GLN A NE2 1 ? 
ATOM   1275 N  N   . GLY A 1 175 ? -4.278  -14.210 -10.175 1.000 7.170  0 175 GLY A N   1 ? 
ATOM   1276 C  CA  . GLY A 1 175 ? -4.556  -14.983 -8.977  1.000 6.647  0 175 GLY A CA  1 ? 
ATOM   1277 C  C   . GLY A 1 175 ? -4.036  -16.412 -9.065  1.000 5.734  0 175 GLY A C   1 ? 
ATOM   1278 O  O   . GLY A 1 175 ? -3.928  -17.071 -8.047  1.000 5.925  0 175 GLY A O   1 ? 
ATOM   1279 N  N   . ASP A 1 176 ? -3.717  -16.880 -10.276 1.000 5.307  0 176 ASP A N   1 ? 
ATOM   1280 C  CA  . ASP A 1 176 ? -3.063  -18.164 -10.479 1.000 5.314  0 176 ASP A CA  1 ? 
ATOM   1281 C  C   . ASP A 1 176 ? -1.540  -18.021 -10.388 1.000 5.431  0 176 ASP A C   1 ? 
ATOM   1282 O  O   . ASP A 1 176 ? -0.840  -19.033 -10.252 1.000 5.521  0 176 ASP A O   1 ? 
ATOM   1283 C  CB  . ASP A 1 176 ? -3.438  -18.735 -11.835 1.000 5.450  0 176 ASP A CB  1 ? 
ATOM   1284 C  CG  . ASP A 1 176 ? -4.894  -19.148 -11.992 1.000 5.485  0 176 ASP A CG  1 ? 
ATOM   1285 O  OD1 . ASP A 1 176 ? -5.408  -19.732 -11.005 1.000 5.696  0 176 ASP A OD1 1 ? 
ATOM   1286 O  OD2 . ASP A 1 176 ? -5.437  -18.953 -13.095 1.000 6.163  0 176 ASP A OD2 1 ? 
ATOM   1287 N  N   . SER A 1 177 ? -1.055  -16.781 -10.513 1.000 5.158  0 177 SER A N   1 ? 
ATOM   1288 C  CA  . SER A 1 177 ? 0.374   -16.481 -10.511 1.000 5.371  0 177 SER A CA  1 ? 
ATOM   1289 C  C   . SER A 1 177 ? 1.086   -17.221 -9.405  1.000 4.930  0 177 SER A C   1 ? 
ATOM   1290 O  O   . SER A 1 177 ? 0.606   -17.281 -8.271  1.000 4.595  0 177 SER A O   1 ? 
ATOM   1291 C  CB  . SER A 1 177 ? 0.613   -15.048 -10.337 1.000 6.460  0 177 SER A CB  1 ? 
ATOM   1292 O  OG  . SER A 1 177 ? 0.136   -14.368 -11.460 1.000 10.044 0 177 SER A OG  1 ? 
ATOM   1293 N  N   . GLY A 1 178 ? 2.246   -17.788 -9.738  1.000 4.737  0 178 GLY A N   1 ? 
ATOM   1294 C  CA  . GLY A 1 178 ? 3.077   -18.474 -8.761  1.000 4.444  0 178 GLY A CA  1 ? 
ATOM   1295 C  C   . GLY A 1 178 ? 2.781   -19.969 -8.671  1.000 4.756  0 178 GLY A C   1 ? 
ATOM   1296 O  O   . GLY A 1 178 ? 3.564   -20.721 -8.114  1.000 4.807  0 178 GLY A O   1 ? 
ATOM   1297 N  N   . GLY A 1 179 ? 1.646   -20.380 -9.258  1.000 4.675  0 179 GLY A N   1 ? 
ATOM   1298 C  CA  . GLY A 1 179 ? 1.204   -21.757 -9.174  1.000 4.609  0 179 GLY A CA  1 ? 
ATOM   1299 C  C   . GLY A 1 179 ? 1.895   -22.666 -10.182 1.000 5.279  0 179 GLY A C   1 ? 
ATOM   1300 O  O   . GLY A 1 179 ? 2.699   -22.255 -11.034 1.000 5.605  0 179 GLY A O   1 ? 
ATOM   1301 N  N   . PRO A 1 180 ? 1.542   -23.957 -10.106 1.000 4.952  0 180 PRO A N   1 ? 
ATOM   1302 C  CA  . PRO A 1 180 ? 2.240   -24.997 -10.868 1.000 5.157  0 180 PRO A CA  1 ? 
ATOM   1303 C  C   . PRO A 1 180 ? 1.769   -25.207 -12.294 1.000 5.409  0 180 PRO A C   1 ? 
ATOM   1304 O  O   . PRO A 1 180 ? 0.593   -25.129 -12.622 1.000 5.757  0 180 PRO A O   1 ? 
ATOM   1305 C  CB  . PRO A 1 180 ? 1.918   -26.253 -10.088 1.000 5.258  0 180 PRO A CB  1 ? 
ATOM   1306 C  CG  . PRO A 1 180 ? 0.550   -25.969 -9.527  1.000 5.318  0 180 PRO A CG  1 ? 
ATOM   1307 C  CD  . PRO A 1 180 ? 0.636   -24.517 -9.092  1.000 5.083  0 180 PRO A CD  1 ? 
ATOM   1308 N  N   . VAL A 1 181 ? 2.749   -25.632 -13.103 1.000 5.178  0 181 VAL A N   1 ? 
ATOM   1309 C  CA  . VAL A 1 181 ? 2.546   -26.298 -14.368 1.000 5.579  0 181 VAL A CA  1 ? 
ATOM   1310 C  C   . VAL A 1 181 ? 3.288   -27.622 -14.255 1.000 5.840  0 181 VAL A C   1 ? 
ATOM   1311 O  O   . VAL A 1 181 ? 4.517   -27.622 -14.191 1.000 5.904  0 181 VAL A O   1 ? 
ATOM   1312 C  CB  . VAL A 1 181 ? 3.082   -25.509 -15.564 1.000 6.331  0 181 VAL A CB  1 ? 
ATOM   1313 C  CG1 . VAL A 1 181 ? 2.837   -26.268 -16.854 1.000 6.546  0 181 VAL A CG1 1 ? 
ATOM   1314 C  CG2 . VAL A 1 181 ? 2.528   -24.087 -15.614 1.000 6.282  0 181 VAL A CG2 1 ? 
ATOM   1315 N  N   . VAL A 1 182 ? 2.554   -28.735 -14.192 1.000 5.791  0 182 VAL A N   1 ? 
ATOM   1316 C  CA  . VAL A 1 182 ? 3.135   -30.044 -13.953 1.000 5.967  0 182 VAL A CA  1 ? 
ATOM   1317 C  C   . VAL A 1 182 ? 2.935   -30.904 -15.187 1.000 5.998  0 182 VAL A C   1 ? 
ATOM   1318 O  O   . VAL A 1 182 ? 1.834   -31.033 -15.693 1.000 6.965  0 182 VAL A O   1 ? 
ATOM   1319 C  CB  . VAL A 1 182 ? 2.559   -30.719 -12.703 1.000 6.077  0 182 VAL A CB  1 ? 
ATOM   1320 C  CG1 . VAL A 1 182 ? 2.867   -32.225 -12.638 1.000 6.398  0 182 VAL A CG1 1 ? 
ATOM   1321 C  CG2 . VAL A 1 182 ? 3.034   -30.007 -11.474 1.000 6.503  0 182 VAL A CG2 1 ? 
ATOM   1322 N  N   . CYS A 1 183 ? 4.047   -31.518 -15.645 1.000 6.321  0 183 CYS A N   1 ? 
ATOM   1323 C  CA  . CYS A 1 183 ? 4.037   -32.279 -16.888 1.000 7.253  0 183 CYS A CA  1 ? 
ATOM   1324 C  C   . CYS A 1 183 ? 4.696   -33.609 -16.586 1.000 7.438  0 183 CYS A C   1 ? 
ATOM   1325 O  O   . CYS A 1 183 ? 5.807   -33.642 -16.095 1.000 7.843  0 183 CYS A O   1 ? 
ATOM   1326 C  CB  . CYS A 1 183 ? 4.806   -31.587 -18.008 1.000 8.012  0 183 CYS A CB  1 ? 
ATOM   1327 S  SG  . CYS A 1 183 ? 4.536   -29.805 -18.137 1.000 9.890  0 183 CYS A SG  1 ? 
ATOM   1328 N  N   . SER A 1 184 ? 3.960   -34.703 -16.817 1.000 9.099  0 184 SER A N   1 ? 
ATOM   1329 C  CA  . SER A 1 184 ? 4.441   -36.044 -16.524 1.000 9.520  0 184 SER A CA  1 ? 
ATOM   1330 C  C   . SER A 1 184 ? 5.018   -36.119 -15.108 1.000 9.127  0 184 SER A C   1 ? 
ATOM   1331 O  O   . SER A 1 184 ? 6.061   -36.728 -14.866 1.000 9.940  0 184 SER A O   1 ? 
ATOM   1332 C  CB  . SER A 1 184 ? 5.437   -36.465 -17.553 1.000 10.919 0 184 SER A CB  1 ? 
ATOM   1333 O  OG  . SER A 1 184 ? 4.878   -36.415 -18.853 1.000 13.382 0 184 SER A OG  1 ? 
ATOM   1334 N  N   . GLY A 1 185 ? 4.327   -35.508 -14.152 1.000 9.152  0 185 GLY A N   1 ? 
ATOM   1335 C  CA  . GLY A 1 185 ? 4.706   -35.639 -12.755 1.000 9.137  0 185 GLY A CA  1 ? 
ATOM   1336 C  C   . GLY A 1 185 ? 5.899   -34.777 -12.334 1.000 8.695  0 185 GLY A C   1 ? 
ATOM   1337 O  O   . GLY A 1 185 ? 6.403   -34.966 -11.213 1.000 10.413 0 185 GLY A O   1 ? 
ATOM   1338 N  N   . LYS A 1 186 ? 6.282   -33.769 -13.148 1.000 8.296  0 186 LYS A N   1 ? 
ATOM   1339 C  CA  . LYS A 1 186 ? 7.410   -32.903 -12.820 1.000 8.384  0 186 LYS A CA  1 ? 
ATOM   1340 C  C   . LYS A 1 186 ? 6.950   -31.442 -12.896 1.000 7.062  0 186 LYS A C   1 ? 
ATOM   1341 O  O   . LYS A 1 186 ? 6.206   -31.065 -13.807 1.000 7.294  0 186 LYS A O   1 ? 
ATOM   1342 C  CB  . LYS A 1 186 ? 8.579   -33.080 -13.811 1.000 10.828 0 186 LYS A CB  1 ? 
ATOM   1343 C  CG  . LYS A 1 186 ? 9.062   -34.506 -14.070 1.000 12.669 0 186 LYS A CG  1 ? 
ATOM   1344 C  CD  . LYS A 1 186 ? 9.488   -35.238 -12.814 1.000 15.492 0 186 LYS A CD  1 ? 
ATOM   1345 C  CE  . LYS A 1 186 ? 9.796   -36.662 -13.175 1.000 20.510 0 186 LYS A CE  1 ? 
ATOM   1346 N  NZ  . LYS A 1 186 ? 10.734  -37.222 -12.212 1.000 25.688 0 186 LYS A NZ  1 ? 
ATOM   1347 N  N   . LEU A 1 187 ? 7.467   -30.609 -11.984 1.000 6.344  0 187 LEU A N   1 ? 
ATOM   1348 C  CA  . LEU A 1 187 ? 7.154   -29.195 -11.996 1.000 6.558  0 187 LEU A CA  1 ? 
ATOM   1349 C  C   . LEU A 1 187 ? 7.988   -28.530 -13.093 1.000 6.046  0 187 LEU A C   1 ? 
ATOM   1350 O  O   . LEU A 1 187 ? 9.151   -28.220 -12.858 1.000 8.567  0 187 LEU A O   1 ? 
ATOM   1351 C  CB  . LEU A 1 187 ? 7.400   -28.621 -10.599 1.000 6.397  0 187 LEU A CB  1 ? 
ATOM   1352 C  CG  . LEU A 1 187 ? 7.085   -27.124 -10.499 1.000 7.124  0 187 LEU A CG  1 ? 
ATOM   1353 C  CD1 . LEU A 1 187 ? 5.574   -26.886 -10.546 1.000 7.901  0 187 LEU A CD1 1 ? 
ATOM   1354 C  CD2 . LEU A 1 187 ? 7.633   -26.529 -9.249  1.000 7.603  0 187 LEU A CD2 1 ? 
ATOM   1355 N  N   . GLN A 1 188 ? 7.387   -28.234 -14.239 1.000 6.183  0 188 GLN A N   1 ? 
ATOM   1356 C  CA  . GLN A 1 188 ? 8.108   -27.630 -15.344 1.000 6.067  0 188 GLN A CA  1 ? 
ATOM   1357 C  C   . GLN A 1 188 ? 7.890   -26.126 -15.453 1.000 6.003  0 188 GLN A C   1 ? 
ATOM   1358 O  O   . GLN A 1 188 ? 8.718   -25.422 -16.018 1.000 5.765  0 188 GLN A O   1 ? 
ATOM   1359 C  CB  . GLN A 1 188 ? 7.772   -28.304 -16.671 1.000 6.420  0 188 GLN A CB  1 ? 
ATOM   1360 C  CG  . GLN A 1 188 ? 8.198   -29.766 -16.759 1.000 6.759  0 188 GLN A CG  1 ? 
ATOM   1361 C  CD  . GLN A 1 188 ? 9.678   -29.958 -16.998 1.000 8.062  0 188 GLN A CD  1 ? 
ATOM   1362 O  OE1 . GLN A 1 188 ? 10.496  -29.037 -16.957 1.000 7.772  0 188 GLN A OE1 1 ? 
ATOM   1363 N  NE2 . GLN A 1 188 ? 10.102  -31.204 -17.182 1.000 8.379  0 188 GLN A NE2 1 ? 
ATOM   1364 N  N   . GLY A 1 189 ? 6.804   -25.622 -14.867 1.000 6.015  0 189 GLY A N   1 ? 
ATOM   1365 C  CA  . GLY A 1 189 ? 6.554   -24.201 -15.005 1.000 5.723  0 189 GLY A CA  1 ? 
ATOM   1366 C  C   . GLY A 1 189 ? 5.929   -23.562 -13.778 1.000 5.612  0 189 GLY A C   1 ? 
ATOM   1367 O  O   . GLY A 1 189 ? 5.390   -24.238 -12.906 1.000 5.660  0 189 GLY A O   1 ? 
ATOM   1368 N  N   . ILE A 1 190 ? 5.974   -22.224 -13.777 1.000 5.256  0 190 ILE A N   1 ? 
ATOM   1369 C  CA  . ILE A 1 190 ? 5.334   -21.414 -12.755 1.000 5.107  0 190 ILE A CA  1 ? 
ATOM   1370 C  C   . ILE A 1 190 ? 4.484   -20.408 -13.501 1.000 4.636  0 190 ILE A C   1 ? 
ATOM   1371 O  O   . ILE A 1 190 ? 4.973   -19.757 -14.408 1.000 4.963  0 190 ILE A O   1 ? 
ATOM   1372 C  CB  . ILE A 1 190 ? 6.397   -20.713 -11.893 1.000 5.307  0 190 ILE A CB  1 ? 
ATOM   1373 C  CG1 . ILE A 1 190 ? 7.342   -21.728 -11.234 1.000 6.271  0 190 ILE A CG1 1 ? 
ATOM   1374 C  CG2 . ILE A 1 190 ? 5.746   -19.734 -10.901 1.000 5.273  0 190 ILE A CG2 1 ? 
ATOM   1375 C  CD1 . ILE A 1 190 ? 8.564   -21.046 -10.641 1.000 6.687  0 190 ILE A CD1 1 ? 
ATOM   1376 N  N   . VAL A 1 191 ? 3.211   -20.232 -13.115 1.000 4.419  0 191 VAL A N   1 ? 
ATOM   1377 C  CA  . VAL A 1 191 ? 2.347   -19.236 -13.735 1.000 4.384  0 191 VAL A CA  1 ? 
ATOM   1378 C  C   . VAL A 1 191 ? 2.988   -17.852 -13.568 1.000 4.624  0 191 VAL A C   1 ? 
ATOM   1379 O  O   . VAL A 1 191 ? 3.209   -17.387 -12.452 1.000 5.329  0 191 VAL A O   1 ? 
ATOM   1380 C  CB  . VAL A 1 191 ? 0.941   -19.260 -13.105 1.000 4.437  0 191 VAL A CB  1 ? 
ATOM   1381 C  CG1 . VAL A 1 191 ? 0.041   -18.201 -13.703 1.000 4.465  0 191 VAL A CG1 1 ? 
ATOM   1382 C  CG2 . VAL A 1 191 ? 0.293   -20.638 -13.143 1.000 4.541  0 191 VAL A CG2 1 ? 
ATOM   1383 N  N   . SER A 1 192 ? 3.258   -17.169 -14.681 1.000 4.768  0 192 SER A N   1 ? 
ATOM   1384 C  CA  . SER A 1 192 ? 4.028   -15.922 -14.646 1.000 4.863  0 192 SER A CA  1 ? 
ATOM   1385 C  C   . SER A 1 192 ? 3.266   -14.743 -15.246 1.000 5.059  0 192 SER A C   1 ? 
ATOM   1386 O  O   . SER A 1 192 ? 2.986   -13.781 -14.537 1.000 6.137  0 192 SER A O   1 ? 
ATOM   1387 C  CB  . SER A 1 192 ? 5.400   -16.128 -15.256 1.000 5.241  0 192 SER A CB  1 ? 
ATOM   1388 O  OG  . SER A 1 192 ? 6.198   -14.939 -15.192 1.000 5.371  0 192 SER A OG  1 ? 
ATOM   1389 N  N   . TRP A 1 193 ? 2.988   -14.759 -16.552 1.000 5.324  0 193 TRP A N   1 ? 
ATOM   1390 C  CA  . TRP A 1 193 ? 2.349   -13.602 -17.139 1.000 5.628  0 193 TRP A CA  1 ? 
ATOM   1391 C  C   . TRP A 1 193 ? 1.606   -13.935 -18.435 1.000 6.395  0 193 TRP A C   1 ? 
ATOM   1392 O  O   . TRP A 1 193 ? 1.570   -15.072 -18.856 1.000 6.299  0 193 TRP A O   1 ? 
ATOM   1393 C  CB  . TRP A 1 193 ? 3.367   -12.484 -17.379 1.000 5.511  0 193 TRP A CB  1 ? 
ATOM   1394 C  CG  . TRP A 1 193 ? 4.506   -12.771 -18.311 1.000 6.065  0 193 TRP A CG  1 ? 
ATOM   1395 C  CD1 . TRP A 1 193 ? 5.688   -13.357 -18.016 1.000 5.622  0 193 TRP A CD1 1 ? 
ATOM   1396 C  CD2 . TRP A 1 193 ? 4.591   -12.348 -19.688 1.000 6.465  0 193 TRP A CD2 1 ? 
ATOM   1397 N  NE1 . TRP A 1 193 ? 6.501   -13.385 -19.130 1.000 6.033  0 193 TRP A NE1 1 ? 
ATOM   1398 C  CE2 . TRP A 1 193 ? 5.852   -12.772 -20.160 1.000 6.360  0 193 TRP A CE2 1 ? 
ATOM   1399 C  CE3 . TRP A 1 193 ? 3.727   -11.656 -20.553 1.000 7.709  0 193 TRP A CE3 1 ? 
ATOM   1400 C  CZ2 . TRP A 1 193 ? 6.297   -12.516 -21.450 1.000 6.902  0 193 TRP A CZ2 1 ? 
ATOM   1401 C  CZ3 . TRP A 1 193 ? 4.175   -11.394 -21.824 1.000 8.081  0 193 TRP A CZ3 1 ? 
ATOM   1402 C  CH2 . TRP A 1 193 ? 5.420   -11.815 -22.249 1.000 7.678  0 193 TRP A CH2 1 ? 
ATOM   1403 N  N   . GLY A 1 194 ? 0.968   -12.923 -19.049 1.000 6.762  0 194 GLY A N   1 ? 
ATOM   1404 C  CA  . GLY A 1 194 ? 0.285   -13.041 -20.321 1.000 7.842  0 194 GLY A CA  1 ? 
ATOM   1405 C  C   . GLY A 1 194 ? -0.523  -11.767 -20.543 1.000 9.421  0 194 GLY A C   1 ? 
ATOM   1406 O  O   . GLY A 1 194 ? -0.855  -11.086 -19.587 1.000 11.618 0 194 GLY A O   1 ? 
ATOM   1407 N  N   . SER A 1 195 ? -0.904  -11.504 -21.779 1.000 9.205  0 195 SER A N   1 ? 
ATOM   1408 C  CA  . SER A 1 195 ? -1.685  -10.320 -22.080 1.000 10.198 0 195 SER A CA  1 ? 
ATOM   1409 C  C   . SER A 1 195 ? -3.160  -10.613 -21.895 1.000 8.862  0 195 SER A C   1 ? 
ATOM   1410 O  O   . SER A 1 195 ? -3.756  -11.371 -22.665 1.000 9.811  0 195 SER A O   1 ? 
ATOM   1411 C  CB  . SER A 1 195 ? -1.422  -9.886  -23.480 1.000 11.631 0 195 SER A CB  1 ? 
ATOM   1412 O  OG  . SER A 1 195 ? -2.168  -8.683  -23.653 1.000 17.497 0 195 SER A OG  1 ? 
ATOM   1413 N  N   . GLY A 1 196 ? -3.745  -10.069 -20.844 1.000 7.993  0 196 GLY A N   1 ? 
ATOM   1414 C  CA  . GLY A 1 196 ? -5.084  -10.494 -20.501 1.000 7.614  0 196 GLY A CA  1 ? 
ATOM   1415 C  C   . GLY A 1 196 ? -5.084  -11.982 -20.148 1.000 7.644  0 196 GLY A C   1 ? 
ATOM   1416 O  O   . GLY A 1 196 ? -4.064  -12.480 -19.668 1.000 9.816  0 196 GLY A O   1 ? 
ATOM   1417 N  N   . CYS A 1 197 ? -6.241  -12.619 -20.266 1.000 7.748  0 197 CYS A N   1 ? 
ATOM   1418 C  CA  . CYS A 1 197 ? -6.341  -14.043 -20.023 1.000 8.339  0 197 CYS A CA  1 ? 
ATOM   1419 C  C   . CYS A 1 197 ? -7.175  -14.680 -21.115 1.000 8.378  0 197 CYS A C   1 ? 
ATOM   1420 O  O   . CYS A 1 197 ? -8.266  -14.199 -21.422 1.000 7.860  0 197 CYS A O   1 ? 
ATOM   1421 C  CB  . CYS A 1 197 ? -7.022  -14.351 -18.692 1.000 9.361  0 197 CYS A CB  1 ? 
ATOM   1422 S  SG  . CYS A 1 197 ? -6.232  -13.488 -17.317 1.000 9.408  0 197 CYS A SG  1 ? 
ATOM   1423 N  N   . ALA A 1 198 ? -6.703  -15.811 -21.639 1.000 8.674  0 198 ALA A N   1 ? 
ATOM   1424 C  CA  . ALA A 1 198 ? -7.485  -16.618 -22.581 1.000 8.603  0 198 ALA A CA  1 ? 
ATOM   1425 C  C   . ALA A 1 198 ? -7.845  -15.829 -23.845 1.000 9.790  0 198 ALA A C   1 ? 
ATOM   1426 O  O   . ALA A 1 198 ? -8.831  -16.183 -24.522 1.000 10.412 0 198 ALA A O   1 ? 
ATOM   1427 C  CB  . ALA A 1 198 ? -8.726  -17.187 -21.934 1.000 8.977  0 198 ALA A CB  1 ? 
ATOM   1428 N  N   . GLN A 1 199 ? -6.995  -14.868 -24.204 1.000 9.471  0 199 GLN A N   1 ? 
ATOM   1429 C  CA  . GLN A 1 199 ? -7.229  -14.119 -25.427 1.000 10.165 0 199 GLN A CA  1 ? 
ATOM   1430 C  C   . GLN A 1 199 ? -6.592  -14.870 -26.587 1.000 10.371 0 199 GLN A C   1 ? 
ATOM   1431 O  O   . GLN A 1 199 ? -5.517  -15.462 -26.496 1.000 10.267 0 199 GLN A O   1 ? 
ATOM   1432 C  CB  . GLN A 1 199 ? -6.652  -12.713 -25.309 1.000 11.418 0 199 GLN A CB  1 ? 
ATOM   1433 C  CG  . GLN A 1 199 ? -7.226  -11.885 -24.161 1.000 13.332 0 199 GLN A CG  1 ? 
ATOM   1434 C  CD  . GLN A 1 199 ? -8.718  -11.700 -24.289 1.000 15.988 0 199 GLN A CD  1 ? 
ATOM   1435 O  OE1 . GLN A 1 199 ? -9.185  -11.035 -25.232 1.000 22.122 0 199 GLN A OE1 1 ? 
ATOM   1436 N  NE2 . GLN A 1 199 ? -9.509  -12.286 -23.392 1.000 16.966 0 199 GLN A NE2 1 ? 
ATOM   1437 N  N   . LYS A 1 200 ? -7.204  -14.708 -27.765 1.000 11.336 0 200 LYS A N   1 ? 
ATOM   1438 C  CA  . LYS A 1 200 ? -6.658  -15.297 -28.968 1.000 12.279 0 200 LYS A CA  1 ? 
ATOM   1439 C  C   . LYS A 1 200 ? -5.244  -14.773 -29.223 1.000 10.939 0 200 LYS A C   1 ? 
ATOM   1440 O  O   . LYS A 1 200 ? -4.962  -13.586 -29.083 1.000 11.437 0 200 LYS A O   1 ? 
ATOM   1441 C  CB  . LYS A 1 200 ? -7.539  -14.946 -30.174 1.000 14.534 0 200 LYS A CB  1 ? 
ATOM   1442 C  CG  . LYS A 1 200 ? -7.121  -15.553 -31.487 1.000 18.169 0 200 LYS A CG  1 ? 
ATOM   1443 C  CD  . LYS A 1 200 ? -8.097  -15.236 -32.624 1.000 22.372 0 200 LYS A CD  1 ? 
ATOM   1444 C  CE  . LYS A 1 200 ? -7.491  -15.723 -33.894 1.000 26.656 0 200 LYS A CE  1 ? 
ATOM   1445 N  NZ  . LYS A 1 200 ? -8.307  -15.313 -35.043 1.000 32.382 0 200 LYS A NZ  1 ? 
ATOM   1446 N  N   . ASN A 1 201 ? -4.332  -15.703 -29.547 1.000 10.735 0 201 ASN A N   1 ? 
ATOM   1447 C  CA  . ASN A 1 201 ? -2.948  -15.417 -29.896 1.000 13.160 0 201 ASN A CA  1 ? 
ATOM   1448 C  C   . ASN A 1 201 ? -2.129  -14.849 -28.736 1.000 13.715 0 201 ASN A C   1 ? 
ATOM   1449 O  O   . ASN A 1 201 ? -1.063  -14.268 -28.961 1.000 14.705 0 201 ASN A O   1 ? 
ATOM   1450 C  CB  . ASN A 1 201 ? -2.824  -14.554 -31.148 1.000 15.142 0 201 ASN A CB  1 ? 
ATOM   1451 C  CG  . ASN A 1 201 ? -3.346  -15.293 -32.363 1.000 20.867 0 201 ASN A CG  1 ? 
ATOM   1452 O  OD1 . ASN A 1 201 ? -4.087  -14.718 -33.173 1.000 25.050 0 201 ASN A OD1 1 ? 
ATOM   1453 N  ND2 . ASN A 1 201 ? -2.985  -16.563 -32.495 1.000 21.823 0 201 ASN A ND2 1 ? 
ATOM   1454 N  N   . LYS A 1 202 ? -2.644  -14.977 -27.507 1.000 11.523 0 202 LYS A N   1 ? 
ATOM   1455 C  CA  . LYS A 1 202 ? -1.957  -14.479 -26.322 1.000 12.010 0 202 LYS A CA  1 ? 
ATOM   1456 C  C   . LYS A 1 202 ? -1.939  -15.582 -25.261 1.000 9.471  0 202 LYS A C   1 ? 
ATOM   1457 O  O   . LYS A 1 202 ? -2.659  -15.548 -24.258 1.000 9.173  0 202 LYS A O   1 ? 
ATOM   1458 C  CB  . LYS A 1 202 ? -2.590  -13.191 -25.809 1.000 12.867 0 202 LYS A CB  1 ? 
ATOM   1459 C  CG  . LYS A 1 202 ? -2.475  -12.022 -26.812 1.000 14.800 0 202 LYS A CG  1 ? 
ATOM   1460 C  CD  . LYS A 1 202 ? -1.024  -11.571 -27.011 1.000 17.475 0 202 LYS A CD  1 ? 
ATOM   1461 C  CE  . LYS A 1 202 ? -0.774  -10.378 -27.891 1.000 20.053 0 202 LYS A CE  1 ? 
ATOM   1462 N  NZ  . LYS A 1 202 ? 0.657   -10.085 -28.061 1.000 17.620 0 202 LYS A NZ  1 ? 
ATOM   1463 N  N   . PRO A 1 203 ? -1.105  -16.622 -25.483 1.000 8.955  0 203 PRO A N   1 ? 
ATOM   1464 C  CA  . PRO A 1 203 ? -1.085  -17.752 -24.567 1.000 7.929  0 203 PRO A CA  1 ? 
ATOM   1465 C  C   . PRO A 1 203 ? -0.458  -17.351 -23.231 1.000 6.885  0 203 PRO A C   1 ? 
ATOM   1466 O  O   . PRO A 1 203 ? 0.164   -16.307 -23.087 1.000 7.777  0 203 PRO A O   1 ? 
ATOM   1467 C  CB  . PRO A 1 203 ? -0.296  -18.793 -25.352 1.000 8.309  0 203 PRO A CB  1 ? 
ATOM   1468 C  CG  . PRO A 1 203 ? 0.671   -17.973 -26.136 1.000 8.585  0 203 PRO A CG  1 ? 
ATOM   1469 C  CD  . PRO A 1 203 ? -0.166  -16.800 -26.598 1.000 9.053  0 203 PRO A CD  1 ? 
ATOM   1470 N  N   . GLY A 1 204 ? -0.584  -18.233 -22.251 1.000 6.248  0 204 GLY A N   1 ? 
ATOM   1471 C  CA  . GLY A 1 204 ? 0.097   -18.021 -20.990 1.000 5.821  0 204 GLY A CA  1 ? 
ATOM   1472 C  C   . GLY A 1 204 ? 1.606   -18.194 -21.132 1.000 5.863  0 204 GLY A C   1 ? 
ATOM   1473 O  O   . GLY A 1 204 ? 2.111   -19.034 -21.879 1.000 5.726  0 204 GLY A O   1 ? 
ATOM   1474 N  N   . VAL A 1 205 ? 2.321   -17.414 -20.329 1.000 5.067  0 205 VAL A N   1 ? 
ATOM   1475 C  CA  . VAL A 1 205 ? 3.773   -17.426 -20.269 1.000 5.038  0 205 VAL A CA  1 ? 
ATOM   1476 C  C   . VAL A 1 205 ? 4.177   -17.878 -18.871 1.000 5.135  0 205 VAL A C   1 ? 
ATOM   1477 O  O   . VAL A 1 205 ? 3.667   -17.391 -17.856 1.000 4.904  0 205 VAL A O   1 ? 
ATOM   1478 C  CB  . VAL A 1 205 ? 4.442   -16.075 -20.643 1.000 5.739  0 205 VAL A CB  1 ? 
ATOM   1479 C  CG1 . VAL A 1 205 ? 5.953   -16.298 -20.773 1.000 6.323  0 205 VAL A CG1 1 ? 
ATOM   1480 C  CG2 . VAL A 1 205 ? 3.856   -15.518 -21.928 1.000 5.739  0 205 VAL A CG2 1 ? 
ATOM   1481 N  N   . TYR A 1 206 ? 5.102   -18.849 -18.830 1.000 4.703  0 206 TYR A N   1 ? 
ATOM   1482 C  CA  . TYR A 1 206 ? 5.471   -19.592 -17.639 1.000 4.635  0 206 TYR A CA  1 ? 
ATOM   1483 C  C   . TYR A 1 206 ? 6.971   -19.546 -17.412 1.000 4.919  0 206 TYR A C   1 ? 
ATOM   1484 O  O   . TYR A 1 206 ? 7.767   -19.644 -18.353 1.000 5.157  0 206 TYR A O   1 ? 
ATOM   1485 C  CB  . TYR A 1 206 ? 4.970   -21.033 -17.808 1.000 4.387  0 206 TYR A CB  1 ? 
ATOM   1486 C  CG  . TYR A 1 206 ? 3.451   -21.047 -17.957 1.000 4.400  0 206 TYR A CG  1 ? 
ATOM   1487 C  CD1 . TYR A 1 206 ? 2.656   -21.036 -16.809 1.000 4.239  0 206 TYR A CD1 1 ? 
ATOM   1488 C  CD2 . TYR A 1 206 ? 2.817   -21.035 -19.189 1.000 4.644  0 206 TYR A CD2 1 ? 
ATOM   1489 C  CE1 . TYR A 1 206 ? 1.278   -21.009 -16.875 1.000 4.424  0 206 TYR A CE1 1 ? 
ATOM   1490 C  CE2 . TYR A 1 206 ? 1.440   -20.995 -19.280 1.000 4.698  0 206 TYR A CE2 1 ? 
ATOM   1491 C  CZ  . TYR A 1 206 ? 0.673   -20.997 -18.123 1.000 4.746  0 206 TYR A CZ  1 ? 
ATOM   1492 O  OH  . TYR A 1 206 ? -0.699  -20.933 -18.212 1.000 5.680  0 206 TYR A OH  1 ? 
ATOM   1493 N  N   . THR A 1 207 ? 7.357   -19.458 -16.136 1.000 4.767  0 207 THR A N   1 ? 
ATOM   1494 C  CA  . THR A 1 207 ? 8.764   -19.557 -15.796 1.000 4.791  0 207 THR A CA  1 ? 
ATOM   1495 C  C   . THR A 1 207 ? 9.264   -20.967 -16.064 1.000 5.146  0 207 THR A C   1 ? 
ATOM   1496 O  O   . THR A 1 207 ? 8.641   -21.927 -15.675 1.000 4.712  0 207 THR A O   1 ? 
ATOM   1497 C  CB  . THR A 1 207 ? 9.009   -19.228 -14.324 1.000 4.996  0 207 THR A CB  1 ? 
ATOM   1498 O  OG1 . THR A 1 207 ? 8.383   -17.968 -14.080 1.000 5.238  0 207 THR A OG1 1 ? 
ATOM   1499 C  CG2 . THR A 1 207 ? 10.501  -19.120 -14.078 1.000 5.390  0 207 THR A CG2 1 ? 
ATOM   1500 N  N   . LYS A 1 208 ? 10.421  -21.096 -16.748 1.000 4.653  0 208 LYS A N   1 ? 
ATOM   1501 C  CA  . LYS A 1 208 ? 10.933  -22.409 -17.166 1.000 5.357  0 208 LYS A CA  1 ? 
ATOM   1502 C  C   . LYS A 1 208 ? 11.770  -23.031 -16.044 1.000 5.236  0 208 LYS A C   1 ? 
ATOM   1503 O  O   . LYS A 1 208 ? 12.971  -22.792 -15.910 1.000 5.478  0 208 LYS A O   1 ? 
ATOM   1504 C  CB  . LYS A 1 208 ? 11.754  -22.220 -18.444 1.000 6.189  0 208 LYS A CB  1 ? 
ATOM   1505 C  CG  . LYS A 1 208 ? 12.098  -23.529 -19.167 1.000 7.107  0 208 LYS A CG  1 ? 
ATOM   1506 C  CD  . LYS A 1 208 ? 12.752  -23.286 -20.529 1.000 8.285  0 208 LYS A CD  1 ? 
ATOM   1507 C  CE  . LYS A 1 208 ? 13.220  -24.567 -21.131 1.000 10.547 0 208 LYS A CE  1 ? 
ATOM   1508 N  NZ  . LYS A 1 208 ? 13.563  -24.335 -22.540 1.000 14.447 0 208 LYS A NZ  1 ? 
ATOM   1509 N  N   . VAL A 1 209 ? 11.114  -23.833 -15.189 1.000 5.429  0 209 VAL A N   1 ? 
ATOM   1510 C  CA  . VAL A 1 209 ? 11.694  -24.307 -13.945 1.000 5.579  0 209 VAL A CA  1 ? 
ATOM   1511 C  C   . VAL A 1 209 ? 12.983  -25.110 -14.144 1.000 6.326  0 209 VAL A C   1 ? 
ATOM   1512 O  O   . VAL A 1 209 ? 13.858  -25.071 -13.300 1.000 6.764  0 209 VAL A O   1 ? 
ATOM   1513 C  CB  . VAL A 1 209 ? 10.632  -25.091 -13.140 1.000 5.499  0 209 VAL A CB  1 ? 
ATOM   1514 C  CG1 . VAL A 1 209 ? 11.232  -25.784 -11.918 1.000 6.003  0 209 VAL A CG1 1 ? 
ATOM   1515 C  CG2 . VAL A 1 209 ? 9.493   -24.183 -12.711 1.000 5.713  0 209 VAL A CG2 1 ? 
ATOM   1516 N  N   . CYS A 1 210 ? 13.091  -25.845 -15.249 1.000 6.654  0 210 CYS A N   1 ? 
ATOM   1517 C  CA  . CYS A 1 210 ? 14.244  -26.714 -15.422 1.000 7.636  0 210 CYS A CA  1 ? 
ATOM   1518 C  C   . CYS A 1 210 ? 15.528  -25.912 -15.442 1.000 7.841  0 210 CYS A C   1 ? 
ATOM   1519 O  O   . CYS A 1 210 ? 16.590  -26.443 -15.107 1.000 10.569 0 210 CYS A O   1 ? 
ATOM   1520 C  CB  . CYS A 1 210 ? 14.056  -27.553 -16.673 1.000 7.933  0 210 CYS A CB  1 ? 
ATOM   1521 S  SG  . CYS A 1 210 ? 14.019  -26.592 -18.207 1.000 8.545  0 210 CYS A SG  1 ? 
ATOM   1522 N  N   . ASN A 1 211 ? 15.482  -24.632 -15.801 1.000 6.554  0 211 ASN A N   1 ? 
ATOM   1523 C  CA  . ASN A 1 211 ? 16.669  -23.772 -15.784 1.000 6.911  0 211 ASN A CA  1 ? 
ATOM   1524 C  C   . ASN A 1 211 ? 17.158  -23.427 -14.377 1.000 7.344  0 211 ASN A C   1 ? 
ATOM   1525 O  O   . ASN A 1 211 ? 18.280  -22.932 -14.219 1.000 9.148  0 211 ASN A O   1 ? 
ATOM   1526 C  CB  . ASN A 1 211 ? 16.420  -22.449 -16.509 1.000 7.074  0 211 ASN A CB  1 ? 
ATOM   1527 C  CG  . ASN A 1 211 ? 16.213  -22.579 -17.999 1.000 7.825  0 211 ASN A CG  1 ? 
ATOM   1528 O  OD1 . ASN A 1 211 ? 16.204  -23.698 -18.545 1.000 8.818  0 211 ASN A OD1 1 ? 
ATOM   1529 N  ND2 . ASN A 1 211 ? 15.891  -21.456 -18.638 1.000 8.162  0 211 ASN A ND2 1 ? 
ATOM   1530 N  N   . TYR A 1 212 ? 16.355  -23.717 -13.367 1.000 6.652  0 212 TYR A N   1 ? 
ATOM   1531 C  CA  . TYR A 1 212 ? 16.566  -23.196 -12.026 1.000 6.785  0 212 TYR A CA  1 ? 
ATOM   1532 C  C   . TYR A 1 212 ? 16.836  -24.310 -11.023 1.000 7.266  0 212 TYR A C   1 ? 
ATOM   1533 O  O   . TYR A 1 212 ? 16.945  -24.025 -9.842  1.000 7.245  0 212 TYR A O   1 ? 
ATOM   1534 C  CB  . TYR A 1 212 ? 15.339  -22.388 -11.574 1.000 6.842  0 212 TYR A CB  1 ? 
ATOM   1535 C  CG  . TYR A 1 212 ? 15.161  -21.143 -12.417 1.000 6.054  0 212 TYR A CG  1 ? 
ATOM   1536 C  CD1 . TYR A 1 212 ? 16.017  -20.069 -12.254 1.000 5.893  0 212 TYR A CD1 1 ? 
ATOM   1537 C  CD2 . TYR A 1 212 ? 14.229  -21.098 -13.437 1.000 6.392  0 212 TYR A CD2 1 ? 
ATOM   1538 C  CE1 . TYR A 1 212 ? 15.907  -18.952 -13.062 1.000 5.597  0 212 TYR A CE1 1 ? 
ATOM   1539 C  CE2 . TYR A 1 212 ? 14.130  -19.995 -14.264 1.000 6.361  0 212 TYR A CE2 1 ? 
ATOM   1540 C  CZ  . TYR A 1 212 ? 14.941  -18.912 -14.048 1.000 5.575  0 212 TYR A CZ  1 ? 
ATOM   1541 O  OH  . TYR A 1 212 ? 14.814  -17.841 -14.893 1.000 6.402  0 212 TYR A OH  1 ? 
ATOM   1542 N  N   . VAL A 1 213 ? 16.863  -25.565 -11.456 1.000 8.850  0 213 VAL A N   1 ? 
ATOM   1543 C  CA  . VAL A 1 213 ? 17.004  -26.664 -10.519 1.000 9.086  0 213 VAL A CA  1 ? 
ATOM   1544 C  C   . VAL A 1 213 ? 18.328  -26.595 -9.752  1.000 8.275  0 213 VAL A C   1 ? 
ATOM   1545 O  O   . VAL A 1 213 ? 18.302  -26.850 -8.544  1.000 8.021  0 213 VAL A O   1 ? 
ATOM   1546 C  CB  . VAL A 1 213 ? 16.813  -28.009 -11.231 1.000 10.347 0 213 VAL A CB  1 ? 
ATOM   1547 C  CG1 . VAL A 1 213 ? 17.158  -29.217 -10.355 1.000 12.437 0 213 VAL A CG1 1 ? 
ATOM   1548 C  CG2 . VAL A 1 213 ? 15.363  -28.142 -11.734 1.000 10.497 0 213 VAL A CG2 1 ? 
ATOM   1549 N  N   . SER A 1 214 ? 19.421  -26.192 -10.394 1.000 8.990  0 214 SER A N   1 ? 
ATOM   1550 C  CA  . SER A 1 214 ? 20.684  -26.062 -9.680  1.000 10.318 0 214 SER A CA  1 ? 
ATOM   1551 C  C   . SER A 1 214 ? 20.606  -25.000 -8.582  1.000 8.827  0 214 SER A C   1 ? 
ATOM   1552 O  O   . SER A 1 214 ? 21.022  -25.222 -7.440  1.000 8.639  0 214 SER A O   1 ? 
ATOM   1553 C  CB  . SER A 1 214 ? 21.773  -25.757 -10.678 1.000 14.075 0 214 SER A CB  1 ? 
ATOM   1554 O  OG  . SER A 1 214 ? 22.026  -26.956 -11.395 1.000 24.209 0 214 SER A OG  1 ? 
ATOM   1555 N  N   . TRP A 1 215 ? 19.989  -23.861 -8.916  1.000 7.482  0 215 TRP A N   1 ? 
ATOM   1556 C  CA  . TRP A 1 215 ? 19.817  -22.799 -7.945  1.000 7.466  0 215 TRP A CA  1 ? 
ATOM   1557 C  C   . TRP A 1 215 ? 18.905  -23.227 -6.795  1.000 6.958  0 215 TRP A C   1 ? 
ATOM   1558 O  O   . TRP A 1 215 ? 19.188  -22.973 -5.631  1.000 6.600  0 215 TRP A O   1 ? 
ATOM   1559 C  CB  . TRP A 1 215 ? 19.312  -21.516 -8.625  1.000 6.568  0 215 TRP A CB  1 ? 
ATOM   1560 C  CG  . TRP A 1 215 ? 18.906  -20.438 -7.664  1.000 6.179  0 215 TRP A CG  1 ? 
ATOM   1561 C  CD1 . TRP A 1 215 ? 19.683  -19.605 -6.916  1.000 5.907  0 215 TRP A CD1 1 ? 
ATOM   1562 C  CD2 . TRP A 1 215 ? 17.556  -20.082 -7.328  1.000 5.925  0 215 TRP A CD2 1 ? 
ATOM   1563 N  NE1 . TRP A 1 215 ? 18.918  -18.759 -6.160  1.000 6.449  0 215 TRP A NE1 1 ? 
ATOM   1564 C  CE2 . TRP A 1 215 ? 17.592  -19.020 -6.387  1.000 6.247  0 215 TRP A CE2 1 ? 
ATOM   1565 C  CE3 . TRP A 1 215 ? 16.297  -20.586 -7.727  1.000 6.079  0 215 TRP A CE3 1 ? 
ATOM   1566 C  CZ2 . TRP A 1 215 ? 16.422  -18.454 -5.852  1.000 6.645  0 215 TRP A CZ2 1 ? 
ATOM   1567 C  CZ3 . TRP A 1 215 ? 15.153  -20.014 -7.213  1.000 6.108  0 215 TRP A CZ3 1 ? 
ATOM   1568 C  CH2 . TRP A 1 215 ? 15.214  -18.980 -6.272  1.000 6.875  0 215 TRP A CH2 1 ? 
ATOM   1569 N  N   . ILE A 1 216 ? 17.803  -23.901 -7.128  1.000 6.361  0 216 ILE A N   1 ? 
ATOM   1570 C  CA  . ILE A 1 216 ? 16.899  -24.389 -6.107  1.000 6.882  0 216 ILE A CA  1 ? 
ATOM   1571 C  C   . ILE A 1 216 ? 17.637  -25.327 -5.144  1.000 7.497  0 216 ILE A C   1 ? 
ATOM   1572 O  O   . ILE A 1 216 ? 17.546  -25.156 -3.921  1.000 7.345  0 216 ILE A O   1 ? 
ATOM   1573 C  CB  . ILE A 1 216 ? 15.653  -25.047 -6.711  1.000 7.368  0 216 ILE A CB  1 ? 
ATOM   1574 C  CG1 . ILE A 1 216 ? 14.796  -24.054 -7.479  1.000 7.101  0 216 ILE A CG1 1 ? 
ATOM   1575 C  CG2 . ILE A 1 216 ? 14.851  -25.764 -5.626  1.000 7.944  0 216 ILE A CG2 1 ? 
ATOM   1576 C  CD1 . ILE A 1 216 ? 13.724  -24.682 -8.364  1.000 6.940  0 216 ILE A CD1 1 ? 
ATOM   1577 N  N   . LYS A 1 217 ? 18.327  -26.314 -5.694  1.000 7.759  0 217 LYS A N   1 ? 
ATOM   1578 C  CA  . LYS A 1 217 ? 18.968  -27.308 -4.839  1.000 9.014  0 217 LYS A CA  1 ? 
ATOM   1579 C  C   . LYS A 1 217 ? 20.049  -26.678 -3.986  1.000 8.366  0 217 LYS A C   1 ? 
ATOM   1580 O  O   . LYS A 1 217 ? 20.120  -26.979 -2.797  1.000 8.613  0 217 LYS A O   1 ? 
ATOM   1581 C  CB  . LYS A 1 217 ? 19.517  -28.422 -5.723  1.000 11.379 0 217 LYS A CB  1 ? 
ATOM   1582 C  CG  . LYS A 1 217 ? 18.444  -29.295 -6.358  1.000 15.347 0 217 LYS A CG  1 ? 
ATOM   1583 C  CD  . LYS A 1 217 ? 19.139  -30.403 -7.167  1.000 21.528 0 217 LYS A CD  1 ? 
ATOM   1584 C  CE  . LYS A 1 217 ? 18.293  -31.368 -7.942  1.000 29.815 0 217 LYS A CE  1 ? 
ATOM   1585 N  NZ  . LYS A 1 217 ? 17.254  -31.936 -7.082  1.000 33.730 0 217 LYS A NZ  1 ? 
ATOM   1586 N  N   . GLN A 1 218 ? 20.889  -25.790 -4.518  1.000 8.566  0 218 GLN A N   1 ? 
ATOM   1587 C  CA  . GLN A 1 218 ? 21.945  -25.234 -3.685  1.000 9.097  0 218 GLN A CA  1 ? 
ATOM   1588 C  C   . GLN A 1 218 ? 21.361  -24.309 -2.625  1.000 8.506  0 218 GLN A C   1 ? 
ATOM   1589 O  O   . GLN A 1 218 ? 21.874  -24.231 -1.503  1.000 9.394  0 218 GLN A O   1 ? 
ATOM   1590 C  CB  . GLN A 1 218 ? 23.031  -24.650 -4.593  1.000 13.258 0 218 GLN A CB  1 ? 
ATOM   1591 C  CG  . GLN A 1 218 ? 22.732  -23.301 -5.206  1.000 16.762 0 218 GLN A CG  1 ? 
ATOM   1592 C  CD  . GLN A 1 218 ? 23.132  -22.118 -4.340  1.000 19.083 0 218 GLN A CD  1 ? 
ATOM   1593 O  OE1 . GLN A 1 218 ? 23.728  -22.262 -3.255  1.000 22.929 0 218 GLN A OE1 1 ? 
ATOM   1594 N  NE2 . GLN A 1 218 ? 22.686  -20.933 -4.761  1.000 17.986 0 218 GLN A NE2 1 ? 
ATOM   1595 N  N   . THR A 1 219 ? 20.271  -23.604 -2.966  1.000 8.439  0 219 THR A N   1 ? 
ATOM   1596 C  CA  . THR A 1 219 ? 19.674  -22.680 -2.038  1.000 8.560  0 219 THR A CA  1 ? 
ATOM   1597 C  C   . THR A 1 219 ? 19.105  -23.463 -0.876  1.000 9.682  0 219 THR A C   1 ? 
ATOM   1598 O  O   . THR A 1 219 ? 19.355  -23.125 0.303   1.000 8.801  0 219 THR A O   1 ? 
ATOM   1599 C  CB  . THR A 1 219 ? 18.637  -21.770 -2.718  1.000 8.014  0 219 THR A CB  1 ? 
ATOM   1600 O  OG1 . THR A 1 219 ? 19.272  -20.984 -3.705  1.000 8.479  0 219 THR A OG1 1 ? 
ATOM   1601 C  CG2 . THR A 1 219 ? 17.922  -20.897 -1.695  1.000 8.377  0 219 THR A CG2 1 ? 
ATOM   1602 N  N   . ILE A 1 220 ? 18.367  -24.549 -1.156  1.000 9.160  0 220 ILE A N   1 ? 
ATOM   1603 C  CA  . ILE A 1 220 ? 17.828  -25.382 -0.089  1.000 9.864  0 220 ILE A CA  1 ? 
ATOM   1604 C  C   . ILE A 1 220 ? 18.963  -25.940 0.771   1.000 10.580 0 220 ILE A C   1 ? 
ATOM   1605 O  O   . ILE A 1 220 ? 18.821  -26.051 1.998   1.000 13.896 0 220 ILE A O   1 ? 
ATOM   1606 C  CB  . ILE A 1 220 ? 16.941  -26.478 -0.681  1.000 11.201 0 220 ILE A CB  1 ? 
ATOM   1607 C  CG1 . ILE A 1 220 ? 15.680  -25.858 -1.218  1.000 12.891 0 220 ILE A CG1 1 ? 
ATOM   1608 C  CG2 . ILE A 1 220 ? 16.695  -27.585 0.342   1.000 11.732 0 220 ILE A CG2 1 ? 
ATOM   1609 C  CD1 . ILE A 1 220 ? 14.883  -26.827 -2.079  1.000 14.887 0 220 ILE A CD1 1 ? 
ATOM   1610 N  N   . ALA A 1 221 ? 20.076  -26.328 0.152   1.000 9.757  0 221 ALA A N   1 ? 
ATOM   1611 C  CA  . ALA A 1 221 ? 21.161  -26.975 0.884   1.000 9.983  0 221 ALA A CA  1 ? 
ATOM   1612 C  C   . ALA A 1 221 ? 21.845  -26.018 1.849   1.000 11.066 0 221 ALA A C   1 ? 
ATOM   1613 O  O   . ALA A 1 221 ? 22.595  -26.486 2.698   1.000 11.900 0 221 ALA A O   1 ? 
ATOM   1614 C  CB  . ALA A 1 221 ? 22.176  -27.530 -0.084  1.000 10.357 0 221 ALA A CB  1 ? 
ATOM   1615 N  N   . SER A 1 222 ? 21.706  -24.703 1.682   1.000 11.398 0 222 SER A N   1 ? 
ATOM   1616 C  CA  . SER A 1 222 ? 22.414  -23.757 2.526   1.000 11.844 0 222 SER A CA  1 ? 
ATOM   1617 C  C   . SER A 1 222 ? 21.491  -22.866 3.341   1.000 12.284 0 222 SER A C   1 ? 
ATOM   1618 O  O   . SER A 1 222 ? 21.928  -21.864 3.905   1.000 13.107 0 222 SER A O   1 ? 
ATOM   1619 C  CB  . SER A 1 222 ? 23.355  -22.924 1.729   1.000 14.918 0 222 SER A CB  1 ? 
ATOM   1620 O  OG  . SER A 1 222 ? 24.396  -23.781 1.288   1.000 19.202 0 222 SER A OG  1 ? 
ATOM   1621 N  N   . ASN A 1 223 ? 20.203  -23.207 3.403   1.000 11.165 0 223 ASN A N   1 ? 
ATOM   1622 C  CA  . ASN A 1 223 ? 19.244  -22.351 4.092   1.000 12.536 0 223 ASN A CA  1 ? 
ATOM   1623 C  C   . ASN A 1 223 ? 18.249  -23.191 4.906   1.000 14.108 0 223 ASN A C   1 ? 
ATOM   1624 O  O   . ASN A 1 223 ? 17.362  -22.564 5.481   1.000 18.577 0 223 ASN A O   1 ? 
ATOM   1625 C  CB  . ASN A 1 223 ? 18.494  -21.450 3.127   1.000 11.502 0 223 ASN A CB  1 ? 
ATOM   1626 C  CG  . ASN A 1 223 ? 19.332  -20.312 2.604   1.000 12.249 0 223 ASN A CG  1 ? 
ATOM   1627 O  OD1 . ASN A 1 223 ? 19.428  -19.228 3.220   1.000 13.769 0 223 ASN A OD1 1 ? 
ATOM   1628 N  ND2 . ASN A 1 223 ? 19.936  -20.529 1.457   1.000 11.807 0 223 ASN A ND2 1 ? 
ATOM   1629 O  OXT . ASN A 1 223 ? 18.371  -24.414 4.918   1.000 15.223 0 223 ASN A OXT 1 ? 
HETATM 1630 CA CA  . CA  B 2 .   ? -10.062 -24.634 3.216   1.000 6.387  0 301 CA  A CA  1 ? 
HETATM 1631 C  C1  . BEN C 3 .   ? -1.766  -14.784 -17.024 1.000 8.002  0 302 BEN A C1  1 ? 
HETATM 1632 C  C2  . BEN C 3 .   ? -1.407  -15.430 -15.861 1.000 8.635  0 302 BEN A C2  1 ? 
HETATM 1633 C  C3  . BEN C 3 .   ? -1.109  -14.742 -14.713 1.000 9.359  0 302 BEN A C3  1 ? 
HETATM 1634 C  C4  . BEN C 3 .   ? -1.123  -13.377 -14.734 1.000 9.594  0 302 BEN A C4  1 ? 
HETATM 1635 C  C5  . BEN C 3 .   ? -1.357  -12.723 -15.919 1.000 10.523 0 302 BEN A C5  1 ? 
HETATM 1636 C  C6  . BEN C 3 .   ? -1.715  -13.404 -17.061 1.000 9.497  0 302 BEN A C6  1 ? 
HETATM 1637 C  C   . BEN C 3 .   ? -2.119  -15.565 -18.232 1.000 7.541  0 302 BEN A C   1 ? 
HETATM 1638 N  N1  . BEN C 3 .   ? -1.723  -16.822 -18.357 1.000 6.565  0 302 BEN A N1  1 ? 
HETATM 1639 N  N2  . BEN C 3 .   ? -2.835  -14.982 -19.187 1.000 7.272  0 302 BEN A N2  1 ? 
HETATM 1640 O  O   . HOH D 4 .   ? -12.573 -17.522 -3.093  1.000 22.234 0 401 HOH A O   1 ? 
HETATM 1641 O  O   . HOH D 4 .   ? 23.251  -25.538 -9.749  1.000 27.457 0 402 HOH A O   1 ? 
HETATM 1642 O  O   . HOH D 4 .   ? -3.430  -33.569 -21.406 1.000 46.989 0 403 HOH A O   1 ? 
HETATM 1643 O  O   . HOH D 4 .   ? -14.410 -28.722 -1.238  1.000 19.730 0 404 HOH A O   1 ? 
HETATM 1644 O  O   . HOH D 4 .   ? -16.696 -15.756 -6.259  1.000 28.993 0 405 HOH A O   1 ? 
HETATM 1645 O  O   . HOH D 4 .   ? -18.123 -14.786 -8.610  1.000 26.207 0 406 HOH A O   1 ? 
HETATM 1646 O  O   . HOH D 4 .   ? -8.231  -10.736 -14.433 1.000 24.139 0 407 HOH A O   1 ? 
HETATM 1647 O  O   . HOH D 4 .   ? -5.128  -41.131 1.245   1.000 24.237 0 408 HOH A O   1 ? 
HETATM 1648 O  O   . HOH D 4 .   ? 10.666  -31.818 -5.175  1.000 14.546 0 409 HOH A O   1 ? 
HETATM 1649 O  O   . HOH D 4 .   ? -6.508  -13.853 -36.171 1.000 53.923 0 410 HOH A O   1 ? 
HETATM 1650 O  O   . HOH D 4 .   ? 18.627  -19.357 -16.642 1.000 35.753 0 411 HOH A O   1 ? 
HETATM 1651 O  O   . HOH D 4 .   ? -3.381  -34.159 -9.905  1.000 19.797 0 412 HOH A O   1 ? 
HETATM 1652 O  O   . HOH D 4 .   ? -2.053  -21.139 -20.423 1.000 6.187  0 413 HOH A O   1 ? 
HETATM 1653 O  O   . HOH D 4 .   ? -10.109 -26.753 2.137   1.000 6.575  0 414 HOH A O   1 ? 
HETATM 1654 O  O   . HOH D 4 .   ? 12.866  -32.745 -23.145 1.000 30.496 0 415 HOH A O   1 ? 
HETATM 1655 O  O   . HOH D 4 .   ? 6.145   -18.620 -35.365 1.000 32.585 0 416 HOH A O   1 ? 
HETATM 1656 O  O   . HOH D 4 .   ? -9.942  -11.613 -17.070 1.000 23.013 0 417 HOH A O   1 ? 
HETATM 1657 O  O   . HOH D 4 .   ? -13.696 -29.091 -5.311  1.000 8.769  0 418 HOH A O   1 ? 
HETATM 1658 O  O   . HOH D 4 .   ? -10.756 -35.844 -2.529  1.000 24.612 0 419 HOH A O   1 ? 
HETATM 1659 O  O   . HOH D 4 .   ? 12.845  -21.636 8.998   1.000 27.525 0 420 HOH A O   1 ? 
HETATM 1660 O  O   . HOH D 4 .   ? 10.936  -26.368 -17.082 1.000 7.689  0 421 HOH A O   1 ? 
HETATM 1661 O  O   . HOH D 4 .   ? 8.352   -32.707 -22.449 1.000 21.473 0 422 HOH A O   1 ? 
HETATM 1662 O  O   . HOH D 4 .   ? 12.380  -20.349 -24.023 1.000 22.852 0 423 HOH A O   1 ? 
HETATM 1663 O  O   . HOH D 4 .   ? 14.756  -30.987 7.109   1.000 23.571 0 424 HOH A O   1 ? 
HETATM 1664 O  O   . HOH D 4 .   ? -11.445 -15.820 -24.574 1.000 40.024 0 425 HOH A O   1 ? 
HETATM 1665 O  O   . HOH D 4 .   ? -7.364  -33.648 -13.153 1.000 20.945 0 426 HOH A O   1 ? 
HETATM 1666 O  O   . HOH D 4 .   ? -10.158 -17.166 -5.634  1.000 15.254 0 427 HOH A O   1 ? 
HETATM 1667 O  O   . HOH D 4 .   ? -17.268 -16.908 -3.440  1.000 23.575 0 428 HOH A O   1 ? 
HETATM 1668 O  O   . HOH D 4 .   ? -13.940 -20.239 -17.100 1.000 13.956 0 429 HOH A O   1 ? 
HETATM 1669 O  O   . HOH D 4 .   ? -4.357  -30.659 -1.183  1.000 8.664  0 430 HOH A O   1 ? 
HETATM 1670 O  O   . HOH D 4 .   ? 9.773   -20.620 -25.361 1.000 21.209 0 431 HOH A O   1 ? 
HETATM 1671 O  O   . HOH D 4 .   ? 16.531  -23.538 -21.176 1.000 22.610 0 432 HOH A O   1 ? 
HETATM 1672 O  O   . HOH D 4 .   ? 1.301   -9.859  -18.630 1.000 20.354 0 433 HOH A O   1 ? 
HETATM 1673 O  O   . HOH D 4 .   ? 6.278   -8.184  -21.888 1.000 21.833 0 434 HOH A O   1 ? 
HETATM 1674 O  O   . HOH D 4 .   ? 1.856   -23.900 11.569  1.000 38.228 0 435 HOH A O   1 ? 
HETATM 1675 O  O   . HOH D 4 .   ? -17.664 -27.399 -9.853  1.000 24.678 0 436 HOH A O   1 ? 
HETATM 1676 O  O   . HOH D 4 .   ? -3.448  -10.342 -17.755 1.000 17.192 0 437 HOH A O   1 ? 
HETATM 1677 O  O   . HOH D 4 .   ? -16.769 -18.528 -14.058 1.000 21.067 0 438 HOH A O   1 ? 
HETATM 1678 O  O   . HOH D 4 .   ? 15.390  -8.548  -18.179 1.000 12.272 0 439 HOH A O   1 ? 
HETATM 1679 O  O   . HOH D 4 .   ? 4.353   -27.852 10.723  1.000 16.833 0 440 HOH A O   1 ? 
HETATM 1680 O  O   . HOH D 4 .   ? 21.559  -17.808 4.001   1.000 20.107 0 441 HOH A O   1 ? 
HETATM 1681 O  O   . HOH D 4 .   ? 9.350   -23.690 -35.371 1.000 42.533 0 442 HOH A O   1 ? 
HETATM 1682 O  O   . HOH D 4 .   ? 14.743  -21.842 -23.146 1.000 20.661 0 443 HOH A O   1 ? 
HETATM 1683 O  O   . HOH D 4 .   ? -6.351  -11.609 -8.517  1.000 30.938 0 444 HOH A O   1 ? 
HETATM 1684 O  O   . HOH D 4 .   ? 5.758   -8.408  -5.491  1.000 23.388 0 445 HOH A O   1 ? 
HETATM 1685 O  O   . HOH D 4 .   ? -6.971  -27.059 -29.367 1.000 24.818 0 446 HOH A O   1 ? 
HETATM 1686 O  O   . HOH D 4 .   ? 7.645   -38.791 -15.534 1.000 28.513 0 447 HOH A O   1 ? 
HETATM 1687 O  O   . HOH D 4 .   ? 23.436  -29.032 2.852   1.000 25.029 0 448 HOH A O   1 ? 
HETATM 1688 O  O   . HOH D 4 .   ? 17.534  -20.116 6.579   1.000 31.139 0 449 HOH A O   1 ? 
HETATM 1689 O  O   . HOH D 4 .   ? 10.154  -9.986  -21.123 1.000 11.190 0 450 HOH A O   1 ? 
HETATM 1690 O  O   . HOH D 4 .   ? 7.557   -7.754  -8.915  1.000 11.556 0 451 HOH A O   1 ? 
HETATM 1691 O  O   . HOH D 4 .   ? -3.790  -36.243 -3.674  1.000 12.211 0 452 HOH A O   1 ? 
HETATM 1692 O  O   . HOH D 4 .   ? -13.564 -19.844 -21.873 1.000 19.778 0 453 HOH A O   1 ? 
HETATM 1693 O  O   . HOH D 4 .   ? -0.001  -11.007 6.436   1.000 28.185 0 454 HOH A O   1 ? 
HETATM 1694 O  O   . HOH D 4 .   ? -6.174  -11.186 -28.884 1.000 21.753 0 455 HOH A O   1 ? 
HETATM 1695 O  O   . HOH D 4 .   ? -7.558  -40.615 3.779   1.000 39.650 0 456 HOH A O   1 ? 
HETATM 1696 O  O   . HOH D 4 .   ? 18.181  -9.649  -14.491 1.000 13.757 0 457 HOH A O   1 ? 
HETATM 1697 O  O   . HOH D 4 .   ? 10.403  -32.945 7.284   1.000 24.336 0 458 HOH A O   1 ? 
HETATM 1698 O  O   . HOH D 4 .   ? 12.777  -36.593 -14.202 1.000 35.633 0 459 HOH A O   1 ? 
HETATM 1699 O  O   . HOH D 4 .   ? -0.828  -28.564 -11.332 1.000 5.738  0 460 HOH A O   1 ? 
HETATM 1700 O  O   . HOH D 4 .   ? -1.515  -6.255  -22.634 1.000 27.905 0 461 HOH A O   1 ? 
HETATM 1701 O  O   . HOH D 4 .   ? 8.938   -3.086  -12.020 1.000 13.634 0 462 HOH A O   1 ? 
HETATM 1702 O  O   . HOH D 4 .   ? 10.629  -4.341  -8.451  1.000 17.024 0 463 HOH A O   1 ? 
HETATM 1703 O  O   . HOH D 4 .   ? 2.267   -27.440 -28.911 1.000 14.331 0 464 HOH A O   1 ? 
HETATM 1704 O  O   . HOH D 4 .   ? -11.319 -28.500 -6.687  1.000 6.269  0 465 HOH A O   1 ? 
HETATM 1705 O  O   . HOH D 4 .   ? -3.967  -17.765 -26.448 1.000 12.444 0 466 HOH A O   1 ? 
HETATM 1706 O  O   . HOH D 4 .   ? -7.628  -9.520  -26.888 1.000 35.360 0 467 HOH A O   1 ? 
HETATM 1707 O  O   . HOH D 4 .   ? 5.013   -23.087 -8.408  1.000 8.229  0 468 HOH A O   1 ? 
HETATM 1708 O  O   . HOH D 4 .   ? 19.788  -25.254 7.100   1.000 15.090 0 469 HOH A O   1 ? 
HETATM 1709 O  O   . HOH D 4 .   ? -3.648  -12.056 -6.911  1.000 36.069 0 470 HOH A O   1 ? 
HETATM 1710 O  O   . HOH D 4 .   ? 0.235   -8.521  -30.267 1.000 16.063 0 471 HOH A O   1 ? 
HETATM 1711 O  O   . HOH D 4 .   ? -9.171  -20.576 -10.938 1.000 5.775  0 472 HOH A O   1 ? 
HETATM 1712 O  O   . HOH D 4 .   ? 16.234  -26.066 4.446   1.000 21.665 0 473 HOH A O   1 ? 
HETATM 1713 O  O   . HOH D 4 .   ? 8.582   -25.112 -26.055 1.000 23.272 0 474 HOH A O   1 ? 
HETATM 1714 O  O   . HOH D 4 .   ? -0.238  -13.912 6.746   1.000 20.165 0 475 HOH A O   1 ? 
HETATM 1715 O  O   . HOH D 4 .   ? -16.371 -27.302 7.428   1.000 23.360 0 476 HOH A O   1 ? 
HETATM 1716 O  O   . HOH D 4 .   ? 19.036  -16.915 -15.055 1.000 21.076 0 477 HOH A O   1 ? 
HETATM 1717 O  O   . HOH D 4 .   ? 2.174   -34.999 -23.205 1.000 31.911 0 478 HOH A O   1 ? 
HETATM 1718 O  O   . HOH D 4 .   ? -1.209  -8.901  -3.134  1.000 23.445 0 479 HOH A O   1 ? 
HETATM 1719 O  O   . HOH D 4 .   ? -3.273  -28.086 10.398  1.000 48.157 0 480 HOH A O   1 ? 
HETATM 1720 O  O   . HOH D 4 .   ? -7.435  -20.118 2.656   1.000 6.296  0 481 HOH A O   1 ? 
HETATM 1721 O  O   . HOH D 4 .   ? 15.437  -33.683 -8.187  1.000 41.333 0 482 HOH A O   1 ? 
HETATM 1722 O  O   . HOH D 4 .   ? -1.968  -21.234 -8.854  1.000 4.864  0 483 HOH A O   1 ? 
HETATM 1723 O  O   . HOH D 4 .   ? -2.668  -15.063 6.915   1.000 14.816 0 484 HOH A O   1 ? 
HETATM 1724 O  O   . HOH D 4 .   ? 9.522   -34.380 -0.209  1.000 16.582 0 485 HOH A O   1 ? 
HETATM 1725 O  O   . HOH D 4 .   ? 5.803   -36.447 -3.163  1.000 16.690 0 486 HOH A O   1 ? 
HETATM 1726 O  O   . HOH D 4 .   ? 1.851   -11.289 -14.224 1.000 11.256 0 487 HOH A O   1 ? 
HETATM 1727 O  O   . HOH D 4 .   ? -14.851 -27.545 -17.979 1.000 18.446 0 488 HOH A O   1 ? 
HETATM 1728 O  O   . HOH D 4 .   ? 8.720   -12.461 -32.553 1.000 25.987 0 489 HOH A O   1 ? 
HETATM 1729 O  O   . HOH D 4 .   ? -8.894  -28.948 3.345   1.000 8.059  0 490 HOH A O   1 ? 
HETATM 1730 O  O   . HOH D 4 .   ? 18.646  -19.264 -19.412 1.000 22.639 0 491 HOH A O   1 ? 
HETATM 1731 O  O   . HOH D 4 .   ? 8.552   -8.961  -6.507  1.000 14.874 0 492 HOH A O   1 ? 
HETATM 1732 O  O   . HOH D 4 .   ? 8.193   -33.436 -17.478 1.000 10.461 0 493 HOH A O   1 ? 
HETATM 1733 O  O   . HOH D 4 .   ? -9.878  -34.905 0.220   1.000 19.315 0 494 HOH A O   1 ? 
HETATM 1734 O  O   . HOH D 4 .   ? -0.024  -12.190 -30.473 1.000 25.792 0 495 HOH A O   1 ? 
HETATM 1735 O  O   . HOH D 4 .   ? 2.031   -17.711 -32.195 1.000 19.188 0 496 HOH A O   1 ? 
HETATM 1736 O  O   . HOH D 4 .   ? 5.526   -15.130 7.570   1.000 14.652 0 497 HOH A O   1 ? 
HETATM 1737 O  O   . HOH D 4 .   ? 12.941  -35.724 -11.453 1.000 26.416 0 498 HOH A O   1 ? 
HETATM 1738 O  O   . HOH D 4 .   ? -7.971  -28.607 -21.993 1.000 20.254 0 499 HOH A O   1 ? 
HETATM 1739 O  O   . HOH D 4 .   ? 12.661  -30.825 4.196   1.000 16.807 0 500 HOH A O   1 ? 
HETATM 1740 O  O   . HOH D 4 .   ? -5.731  -18.470 1.145   1.000 6.372  0 501 HOH A O   1 ? 
HETATM 1741 O  O   . HOH D 4 .   ? -6.691  -19.963 -24.781 1.000 19.007 0 502 HOH A O   1 ? 
HETATM 1742 O  O   . HOH D 4 .   ? -3.715  -20.307 -23.446 1.000 8.059  0 503 HOH A O   1 ? 
HETATM 1743 O  O   . HOH D 4 .   ? -2.434  -25.670 -28.208 1.000 12.763 0 504 HOH A O   1 ? 
HETATM 1744 O  O   . HOH D 4 .   ? -10.915 -27.499 -19.821 1.000 17.215 0 505 HOH A O   1 ? 
HETATM 1745 O  O   . HOH D 4 .   ? 8.708   -15.025 -16.707 1.000 6.851  0 506 HOH A O   1 ? 
HETATM 1746 O  O   . HOH D 4 .   ? 0.906   -19.212 10.784  1.000 16.669 0 507 HOH A O   1 ? 
HETATM 1747 O  O   . HOH D 4 .   ? -3.247  -25.711 -0.515  1.000 5.369  0 508 HOH A O   1 ? 
HETATM 1748 O  O   . HOH D 4 .   ? 0.502   -33.477 -15.823 1.000 26.027 0 509 HOH A O   1 ? 
HETATM 1749 O  O   . HOH D 4 .   ? -8.497  -10.836 -20.214 1.000 16.298 0 510 HOH A O   1 ? 
HETATM 1750 O  O   . HOH D 4 .   ? -13.133 -24.821 -21.825 1.000 17.881 0 511 HOH A O   1 ? 
HETATM 1751 O  O   . HOH D 4 .   ? -16.552 -29.022 2.658   1.000 30.216 0 512 HOH A O   1 ? 
HETATM 1752 O  O   . HOH D 4 .   ? -4.554  -14.035 -22.879 1.000 10.053 0 513 HOH A O   1 ? 
HETATM 1753 O  O   . HOH D 4 .   ? -0.734  -33.507 -10.790 1.000 12.879 0 514 HOH A O   1 ? 
HETATM 1754 O  O   . HOH D 4 .   ? -16.008 -20.739 6.317   1.000 10.118 0 515 HOH A O   1 ? 
HETATM 1755 O  O   . HOH D 4 .   ? -4.168  -36.182 -19.103 1.000 23.149 0 516 HOH A O   1 ? 
HETATM 1756 O  O   . HOH D 4 .   ? 4.730   -23.364 12.402  1.000 23.517 0 517 HOH A O   1 ? 
HETATM 1757 O  O   . HOH D 4 .   ? 19.360  -29.546 -1.963  1.000 15.719 0 518 HOH A O   1 ? 
HETATM 1758 O  O   . HOH D 4 .   ? 4.569   -7.825  -8.634  1.000 30.863 0 519 HOH A O   1 ? 
HETATM 1759 O  O   . HOH D 4 .   ? -15.206 -18.204 -10.352 1.000 22.353 0 520 HOH A O   1 ? 
HETATM 1760 O  O   . HOH D 4 .   ? -9.290  -22.742 4.380   1.000 7.152  0 521 HOH A O   1 ? 
HETATM 1761 O  O   . HOH D 4 .   ? 1.298   -34.554 -17.708 1.000 21.745 0 522 HOH A O   1 ? 
HETATM 1762 O  O   . HOH D 4 .   ? 4.241   -17.031 12.705  1.000 28.926 0 523 HOH A O   1 ? 
HETATM 1763 O  O   . HOH D 4 .   ? 8.793   -34.538 -4.538  1.000 26.397 0 524 HOH A O   1 ? 
HETATM 1764 O  O   . HOH D 4 .   ? -8.326  -28.158 9.184   1.000 20.146 0 525 HOH A O   1 ? 
HETATM 1765 O  O   . HOH D 4 .   ? -8.407  -13.235 -2.427  1.000 16.676 0 526 HOH A O   1 ? 
HETATM 1766 O  O   . HOH D 4 .   ? 17.384  -8.849  -9.096  1.000 10.479 0 527 HOH A O   1 ? 
HETATM 1767 O  O   . HOH D 4 .   ? 9.873   -13.038 -27.879 1.000 10.782 0 528 HOH A O   1 ? 
HETATM 1768 O  O   . HOH D 4 .   ? 17.927  -25.932 -18.553 1.000 18.968 0 529 HOH A O   1 ? 
HETATM 1769 O  O   . HOH D 4 .   ? 8.747   0.048   -14.029 1.000 8.947  0 530 HOH A O   1 ? 
HETATM 1770 O  O   . HOH D 4 .   ? -7.911  -28.971 -3.688  1.000 6.382  0 531 HOH A O   1 ? 
HETATM 1771 O  O   . HOH D 4 .   ? -10.065 -17.019 2.918   1.000 10.337 0 532 HOH A O   1 ? 
HETATM 1772 O  O   . HOH D 4 .   ? 1.547   -35.206 -14.599 1.000 20.450 0 533 HOH A O   1 ? 
HETATM 1773 O  O   . HOH D 4 .   ? 6.554   -13.836 4.772   1.000 22.096 0 534 HOH A O   1 ? 
HETATM 1774 O  O   . HOH D 4 .   ? -11.963 -22.692 -15.052 1.000 10.754 0 535 HOH A O   1 ? 
HETATM 1775 O  O   . HOH D 4 .   ? -2.614  -25.488 10.424  1.000 19.697 0 536 HOH A O   1 ? 
HETATM 1776 O  O   . HOH D 4 .   ? -7.003  -33.170 -10.446 1.000 32.854 0 537 HOH A O   1 ? 
HETATM 1777 O  O   . HOH D 4 .   ? 3.727   -21.094 11.333  1.000 16.457 0 538 HOH A O   1 ? 
HETATM 1778 O  O   . HOH D 4 .   ? 12.607  -29.255 9.607   1.000 24.499 0 539 HOH A O   1 ? 
HETATM 1779 O  O   . HOH D 4 .   ? 10.073  -27.270 -27.216 1.000 25.902 0 540 HOH A O   1 ? 
HETATM 1780 O  O   . HOH D 4 .   ? 7.266   -21.851 -25.504 1.000 8.181  0 541 HOH A O   1 ? 
HETATM 1781 O  O   . HOH D 4 .   ? 22.888  -27.350 -7.121  1.000 20.991 0 542 HOH A O   1 ? 
HETATM 1782 O  O   . HOH D 4 .   ? -3.777  -19.807 -7.251  1.000 5.019  0 543 HOH A O   1 ? 
HETATM 1783 O  O   . HOH D 4 .   ? 12.347  -22.501 11.409  1.000 34.501 0 544 HOH A O   1 ? 
HETATM 1784 O  O   . HOH D 4 .   ? -5.588  -30.110 -4.547  1.000 6.408  0 545 HOH A O   1 ? 
HETATM 1785 O  O   . HOH D 4 .   ? -10.013 -18.099 -32.145 1.000 33.207 0 546 HOH A O   1 ? 
HETATM 1786 O  O   . HOH D 4 .   ? -5.725  -36.778 -15.194 1.000 20.224 0 547 HOH A O   1 ? 
HETATM 1787 O  O   . HOH D 4 .   ? -12.467 -12.482 -23.690 1.000 25.699 0 548 HOH A O   1 ? 
HETATM 1788 O  O   . HOH D 4 .   ? -14.809 -23.725 -17.760 1.000 24.165 0 549 HOH A O   1 ? 
HETATM 1789 O  O   . HOH D 4 .   ? 5.324   -6.828  -2.019  1.000 27.728 0 550 HOH A O   1 ? 
HETATM 1790 O  O   . HOH D 4 .   ? 9.212   -17.014 -33.892 1.000 20.894 0 551 HOH A O   1 ? 
HETATM 1791 O  O   . HOH D 4 .   ? -14.298 -15.891 -4.148  1.000 12.377 0 552 HOH A O   1 ? 
HETATM 1792 O  O   . HOH D 4 .   ? -1.033  -28.602 -0.513  1.000 7.889  0 553 HOH A O   1 ? 
HETATM 1793 O  O   . HOH D 4 .   ? -2.720  -23.609 -29.902 1.000 13.672 0 554 HOH A O   1 ? 
HETATM 1794 O  O   . HOH D 4 .   ? -2.072  -8.542  -19.021 1.000 41.524 0 555 HOH A O   1 ? 
HETATM 1795 O  O   . HOH D 4 .   ? 16.432  -13.839 1.645   1.000 15.074 0 556 HOH A O   1 ? 
HETATM 1796 O  O   . HOH D 4 .   ? 16.025  -32.589 -10.422 1.000 23.172 0 557 HOH A O   1 ? 
HETATM 1797 O  O   . HOH D 4 .   ? -4.208  -28.190 -2.613  1.000 6.469  0 558 HOH A O   1 ? 
HETATM 1798 O  O   . HOH D 4 .   ? -9.544  -13.032 -27.922 1.000 24.539 0 559 HOH A O   1 ? 
HETATM 1799 O  O   . HOH D 4 .   ? -8.888  -15.586 0.449   1.000 9.096  0 560 HOH A O   1 ? 
HETATM 1800 O  O   . HOH D 4 .   ? -12.160 -33.233 -12.005 1.000 15.644 0 561 HOH A O   1 ? 
HETATM 1801 O  O   . HOH D 4 .   ? 0.870   -17.726 -17.203 1.000 8.272  0 562 HOH A O   1 ? 
HETATM 1802 O  O   . HOH D 4 .   ? 19.586  -19.779 -11.568 1.000 10.545 0 563 HOH A O   1 ? 
HETATM 1803 O  O   . HOH D 4 .   ? 5.173   -35.699 -23.365 1.000 33.742 0 564 HOH A O   1 ? 
HETATM 1804 O  O   . HOH D 4 .   ? 2.944   -8.419  -27.443 1.000 15.845 0 565 HOH A O   1 ? 
HETATM 1805 O  O   . HOH D 4 .   ? 3.366   -25.367 -30.633 1.000 15.491 0 566 HOH A O   1 ? 
HETATM 1806 O  O   . HOH D 4 .   ? 10.354  -23.453 -31.842 1.000 17.012 0 567 HOH A O   1 ? 
HETATM 1807 O  O   . HOH D 4 .   ? 5.534   -6.687  1.231   1.000 19.135 0 568 HOH A O   1 ? 
HETATM 1808 O  O   . HOH D 4 .   ? 12.337  -34.534 -15.726 1.000 23.755 0 569 HOH A O   1 ? 
HETATM 1809 O  O   . HOH D 4 .   ? -14.885 -22.751 7.867   1.000 8.117  0 570 HOH A O   1 ? 
HETATM 1810 O  O   . HOH D 4 .   ? -14.150 -31.895 -4.779  1.000 20.663 0 571 HOH A O   1 ? 
HETATM 1811 O  O   . HOH D 4 .   ? 10.540  -33.501 2.171   1.000 15.018 0 572 HOH A O   1 ? 
HETATM 1812 O  O   . HOH D 4 .   ? 6.919   -9.750  -19.385 1.000 17.613 0 573 HOH A O   1 ? 
HETATM 1813 O  O   . HOH D 4 .   ? 19.143  -13.579 -16.220 1.000 14.729 0 574 HOH A O   1 ? 
HETATM 1814 O  O   . HOH D 4 .   ? -15.714 -22.159 -6.537  1.000 23.007 0 575 HOH A O   1 ? 
HETATM 1815 O  O   . HOH D 4 .   ? 13.034  0.129   -13.370 1.000 16.035 0 576 HOH A O   1 ? 
HETATM 1816 O  O   . HOH D 4 .   ? 13.478  -6.736  -10.231 1.000 8.702  0 577 HOH A O   1 ? 
HETATM 1817 O  O   . HOH D 4 .   ? 10.739  -27.004 -19.847 1.000 12.104 0 578 HOH A O   1 ? 
HETATM 1818 O  O   . HOH D 4 .   ? 17.307  -10.149 -17.147 1.000 12.039 0 579 HOH A O   1 ? 
HETATM 1819 O  O   . HOH D 4 .   ? 5.466   -33.486 -27.133 1.000 33.932 0 580 HOH A O   1 ? 
HETATM 1820 O  O   . HOH D 4 .   ? 12.670  -33.067 -6.703  1.000 22.098 0 581 HOH A O   1 ? 
HETATM 1821 O  O   . HOH D 4 .   ? -4.592  -17.705 -23.712 1.000 8.788  0 582 HOH A O   1 ? 
HETATM 1822 O  O   . HOH D 4 .   ? 6.627   -13.889 -36.128 1.000 41.447 0 583 HOH A O   1 ? 
HETATM 1823 O  O   . HOH D 4 .   ? 2.396   -8.407  -23.780 1.000 19.863 0 584 HOH A O   1 ? 
HETATM 1824 O  O   . HOH D 4 .   ? 17.235  -10.985 -5.661  1.000 10.882 0 585 HOH A O   1 ? 
HETATM 1825 O  O   . HOH D 4 .   ? 20.522  -28.748 -13.197 1.000 31.552 0 586 HOH A O   1 ? 
HETATM 1826 O  O   . HOH D 4 .   ? -16.527 -26.283 -0.897  1.000 21.828 0 587 HOH A O   1 ? 
HETATM 1827 O  O   . HOH D 4 .   ? 11.341  -16.185 -16.223 1.000 6.257  0 588 HOH A O   1 ? 
HETATM 1828 O  O   . HOH D 4 .   ? 11.532  -23.232 -24.391 1.000 28.048 0 589 HOH A O   1 ? 
HETATM 1829 O  O   . HOH D 4 .   ? 20.457  -23.028 -16.226 1.000 31.656 0 590 HOH A O   1 ? 
HETATM 1830 O  O   . HOH D 4 .   ? -17.357 -18.629 -5.882  1.000 38.872 0 591 HOH A O   1 ? 
HETATM 1831 O  O   . HOH D 4 .   ? -8.027  -15.299 4.154   1.000 10.009 0 592 HOH A O   1 ? 
HETATM 1832 O  O   . HOH D 4 .   ? 17.937  -14.113 -19.989 1.000 23.930 0 593 HOH A O   1 ? 
HETATM 1833 O  O   . HOH D 4 .   ? 10.168  -25.337 -29.261 1.000 19.823 0 594 HOH A O   1 ? 
HETATM 1834 O  O   . HOH D 4 .   ? 21.292  -14.959 -14.081 1.000 38.457 0 595 HOH A O   1 ? 
HETATM 1835 O  O   . HOH D 4 .   ? -15.872 -28.465 -13.508 1.000 16.231 0 596 HOH A O   1 ? 
HETATM 1836 O  O   . HOH D 4 .   ? 14.457  -3.197  -16.561 1.000 13.821 0 597 HOH A O   1 ? 
HETATM 1837 O  O   . HOH D 4 .   ? 0.921   -8.238  -25.730 1.000 19.483 0 598 HOH A O   1 ? 
HETATM 1838 O  O   . HOH D 4 .   ? 19.919  -22.745 -11.728 1.000 11.303 0 599 HOH A O   1 ? 
HETATM 1839 O  O   . HOH D 4 .   ? 15.575  -26.329 -23.548 1.000 19.073 0 600 HOH A O   1 ? 
HETATM 1840 O  O   . HOH D 4 .   ? 16.810  -29.449 -15.078 1.000 26.728 0 601 HOH A O   1 ? 
HETATM 1841 O  O   . HOH D 4 .   ? 19.346  -16.180 -17.824 1.000 20.799 0 602 HOH A O   1 ? 
HETATM 1842 O  O   . HOH D 4 .   ? 19.362  -26.117 -13.410 1.000 18.745 0 603 HOH A O   1 ? 
HETATM 1843 O  O   . HOH D 4 .   ? 11.883  -36.141 -6.717  1.000 31.254 0 604 HOH A O   1 ? 
HETATM 1844 O  O   . HOH D 4 .   ? 7.345   -37.679 -10.160 1.000 36.511 0 605 HOH A O   1 ? 
HETATM 1845 O  O   . HOH D 4 .   ? 9.583   -25.748 -22.654 1.000 29.050 0 606 HOH A O   1 ? 
HETATM 1846 O  O   . HOH D 4 .   ? 23.044  -21.156 -7.793  1.000 30.407 0 607 HOH A O   1 ? 
HETATM 1847 O  O   . HOH D 4 .   ? -6.664  -30.266 -25.864 1.000 35.650 0 608 HOH A O   1 ? 
HETATM 1848 O  O   . HOH D 4 .   ? -3.684  -19.427 11.255  1.000 35.616 0 609 HOH A O   1 ? 
HETATM 1849 O  O   . HOH D 4 .   ? -15.165 -24.931 -14.454 1.000 25.241 0 610 HOH A O   1 ? 
HETATM 1850 O  O   . HOH D 4 .   ? 17.159  -15.040 -23.369 1.000 22.730 0 611 HOH A O   1 ? 
HETATM 1851 O  O   . HOH D 4 .   ? 5.269   -35.962 -0.552  1.000 12.363 0 612 HOH A O   1 ? 
HETATM 1852 O  O   . HOH D 4 .   ? -0.889  -8.282  4.689   1.000 35.541 0 613 HOH A O   1 ? 
HETATM 1853 O  O   . HOH D 4 .   ? -14.462 -32.218 -9.374  1.000 34.345 0 614 HOH A O   1 ? 
HETATM 1854 O  O   . HOH D 4 .   ? 22.306  -11.206 -10.132 1.000 16.783 0 615 HOH A O   1 ? 
HETATM 1855 O  O   . HOH D 4 .   ? 10.511  -22.827 -26.385 1.000 35.360 0 616 HOH A O   1 ? 
HETATM 1856 O  O   . HOH D 4 .   ? -20.400 -15.886 -13.078 1.000 36.929 0 617 HOH A O   1 ? 
HETATM 1857 O  O   . HOH D 4 .   ? 7.441   -36.311 -5.498  1.000 21.025 0 618 HOH A O   1 ? 
HETATM 1858 O  O   . HOH D 4 .   ? -1.641  -12.120 -10.133 1.000 25.883 0 619 HOH A O   1 ? 
HETATM 1859 O  O   . HOH D 4 .   ? -18.667 -17.693 -12.302 1.000 30.920 0 620 HOH A O   1 ? 
HETATM 1860 O  O   . HOH D 4 .   ? 14.913  -31.687 -0.036  1.000 26.608 0 621 HOH A O   1 ? 
HETATM 1861 O  O   . HOH D 4 .   ? 10.718  -34.294 -20.775 1.000 23.109 0 622 HOH A O   1 ? 
HETATM 1862 O  O   . HOH D 4 .   ? -6.516  -15.551 -37.691 1.000 55.989 0 623 HOH A O   1 ? 
HETATM 1863 O  O   . HOH D 4 .   ? 9.702   -28.368 12.063  1.000 18.212 0 624 HOH A O   1 ? 
HETATM 1864 O  O   . HOH D 4 .   ? 13.295  -10.755 -24.402 1.000 21.962 0 625 HOH A O   1 ? 
HETATM 1865 O  O   . HOH D 4 .   ? -1.066  -8.895  -17.145 1.000 25.418 0 626 HOH A O   1 ? 
HETATM 1866 O  O   . HOH D 4 .   ? -2.254  -12.068 7.528   1.000 29.827 0 627 HOH A O   1 ? 
HETATM 1867 O  O   . HOH D 4 .   ? -20.525 -18.268 -17.403 1.000 47.035 0 628 HOH A O   1 ? 
HETATM 1868 O  O   . HOH D 4 .   ? 0.117   -26.483 10.565  1.000 28.276 0 629 HOH A O   1 ? 
HETATM 1869 O  O   . HOH D 4 .   ? 20.750  -15.879 6.356   1.000 27.257 0 630 HOH A O   1 ? 
HETATM 1870 O  O   . HOH D 4 .   ? 11.435  -33.996 -2.181  1.000 32.190 0 631 HOH A O   1 ? 
HETATM 1871 O  O   . HOH D 4 .   ? 3.601   -19.146 13.344  1.000 31.672 0 632 HOH A O   1 ? 
HETATM 1872 O  O   . HOH D 4 .   ? 9.586   -21.722 -36.960 1.000 38.569 0 633 HOH A O   1 ? 
HETATM 1873 O  O   . HOH D 4 .   ? -9.547  -34.437 -12.390 1.000 33.692 0 634 HOH A O   1 ? 
HETATM 1874 O  O   . HOH D 4 .   ? 22.082  -29.473 -8.976  1.000 42.286 0 635 HOH A O   1 ? 
HETATM 1875 O  O   . HOH D 4 .   ? 16.189  -5.907  -18.972 1.000 16.115 0 636 HOH A O   1 ? 
HETATM 1876 O  O   . HOH D 4 .   ? -0.789  -15.746 10.692  1.000 30.811 0 637 HOH A O   1 ? 
HETATM 1877 O  O   . HOH D 4 .   ? -18.017 -27.215 -12.205 1.000 35.755 0 638 HOH A O   1 ? 
HETATM 1878 O  O   . HOH D 4 .   ? -13.066 -23.007 -23.895 1.000 32.245 0 639 HOH A O   1 ? 
HETATM 1879 O  O   . HOH D 4 .   ? -3.173  -15.667 9.380   1.000 21.306 0 640 HOH A O   1 ? 
HETATM 1880 O  O   . HOH D 4 .   ? 10.179  -37.382 -4.929  1.000 48.299 0 641 HOH A O   1 ? 
HETATM 1881 O  O   . HOH D 4 .   ? -3.929  -29.923 -27.817 1.000 31.501 0 642 HOH A O   1 ? 
HETATM 1882 O  O   . HOH D 4 .   ? -9.964  -20.744 6.150   1.000 11.464 0 643 HOH A O   1 ? 
HETATM 1883 O  O   . HOH D 4 .   ? 19.780  -24.285 -18.563 1.000 40.080 0 644 HOH A O   1 ? 
HETATM 1884 O  O   . HOH D 4 .   ? 14.975  -9.992  -20.211 1.000 17.331 0 645 HOH A O   1 ? 
HETATM 1885 O  O   . HOH D 4 .   ? 1.993   -12.707 8.905   1.000 48.653 0 646 HOH A O   1 ? 
HETATM 1886 O  O   . HOH D 4 .   ? 8.435   -37.475 -2.710  1.000 27.955 0 647 HOH A O   1 ? 
HETATM 1887 O  O   . HOH D 4 .   ? -6.559  -33.062 -21.996 1.000 23.001 0 648 HOH A O   1 ? 
HETATM 1888 O  O   . HOH D 4 .   ? -3.717  -10.688 -9.062  1.000 30.340 0 649 HOH A O   1 ? 
HETATM 1889 O  O   . HOH D 4 .   ? 1.975   -38.620 -1.736  1.000 24.521 0 650 HOH A O   1 ? 
HETATM 1890 O  O   . HOH D 4 .   ? -18.535 -25.072 -10.835 1.000 39.526 0 651 HOH A O   1 ? 
HETATM 1891 O  O   . HOH D 4 .   ? 1.361   -8.509  -21.244 1.000 17.971 0 652 HOH A O   1 ? 
HETATM 1892 O  O   . HOH D 4 .   ? 18.279  -4.987  -17.554 1.000 37.599 0 653 HOH A O   1 ? 
HETATM 1893 O  O   . HOH D 4 .   ? 21.004  -9.166  -11.534 1.000 25.471 0 654 HOH A O   1 ? 
HETATM 1894 O  O   . HOH D 4 .   ? 20.879  -9.885  -14.103 1.000 21.526 0 655 HOH A O   1 ? 
HETATM 1895 O  O   . HOH D 4 .   ? -13.041 -31.096 9.740   1.000 36.285 0 656 HOH A O   1 ? 
HETATM 1896 O  O   . HOH D 4 .   ? -11.069 -15.748 -3.999  1.000 27.725 0 657 HOH A O   1 ? 
HETATM 1897 O  O   . HOH D 4 .   ? -15.165 -20.342 -19.652 1.000 26.972 0 658 HOH A O   1 ? 
HETATM 1898 O  O   . HOH D 4 .   ? 3.482   -9.256  -12.871 1.000 21.316 0 659 HOH A O   1 ? 
HETATM 1899 O  O   . HOH D 4 .   ? -18.695 -25.293 0.859   1.000 30.157 0 660 HOH A O   1 ? 
HETATM 1900 O  O   . HOH D 4 .   ? 21.884  -30.369 -3.313  1.000 28.812 0 661 HOH A O   1 ? 
HETATM 1901 O  O   . HOH D 4 .   ? 14.835  -4.935  -11.923 1.000 22.324 0 662 HOH A O   1 ? 
HETATM 1902 O  O   . HOH D 4 .   ? 17.251  -16.354 -25.675 1.000 42.199 0 663 HOH A O   1 ? 
HETATM 1903 O  O   . HOH D 4 .   ? -16.204 -21.367 -13.147 1.000 30.679 0 664 HOH A O   1 ? 
HETATM 1904 O  O   . HOH D 4 .   ? 7.663   -33.696 -20.146 1.000 22.832 0 665 HOH A O   1 ? 
HETATM 1905 O  O   . HOH D 4 .   ? 8.282   -18.543 -36.764 1.000 55.265 0 666 HOH A O   1 ? 
HETATM 1906 O  O   . HOH D 4 .   ? -2.631  -23.768 12.385  1.000 41.158 0 667 HOH A O   1 ? 
HETATM 1907 O  O   . HOH D 4 .   ? -6.332  -32.792 -24.931 1.000 38.128 0 668 HOH A O   1 ? 
HETATM 1908 O  O   . HOH D 4 .   ? -13.132 -26.760 11.217  1.000 55.111 0 669 HOH A O   1 ? 
HETATM 1909 O  O   . HOH D 4 .   ? 12.768  -9.468  -21.983 1.000 14.181 0 670 HOH A O   1 ? 
HETATM 1910 O  O   . HOH D 4 .   ? 10.142  -35.211 4.188   1.000 22.796 0 671 HOH A O   1 ? 
HETATM 1911 O  O   . HOH D 4 .   ? 17.020  -11.099 -21.538 1.000 23.043 0 672 HOH A O   1 ? 
HETATM 1912 O  O   . HOH D 4 .   ? -22.203 -14.850 -18.238 1.000 39.779 0 673 HOH A O   1 ? 
HETATM 1913 O  O   . HOH D 4 .   ? 18.861  -7.361  -10.749 1.000 23.248 0 674 HOH A O   1 ? 
HETATM 1914 O  O   . HOH D 4 .   ? 0.118   -17.501 12.648  1.000 34.948 0 675 HOH A O   1 ? 
HETATM 1915 O  O   . HOH D 4 .   ? 0.797   -40.744 -0.611  1.000 31.577 0 676 HOH A O   1 ? 
HETATM 1916 O  O   . HOH D 4 .   ? -4.931  -34.563 -13.831 1.000 24.349 0 677 HOH A O   1 ? 
HETATM 1917 O  O   . HOH D 4 .   ? -16.197 -20.851 -10.711 1.000 34.230 0 678 HOH A O   1 ? 
HETATM 1918 O  O   . HOH D 4 .   ? -16.059 -28.641 -16.104 1.000 32.841 0 679 HOH A O   1 ? 
HETATM 1919 O  O   . HOH D 4 .   ? 1.909   -10.384 8.608   1.000 33.982 0 680 HOH A O   1 ? 
HETATM 1920 O  O   . HOH D 4 .   ? 19.567  -30.357 0.614   1.000 25.771 0 681 HOH A O   1 ? 
HETATM 1921 O  O   . HOH D 4 .   ? 8.384   -5.122  -7.614  1.000 43.474 0 682 HOH A O   1 ? 
HETATM 1922 O  O   . HOH D 4 .   ? -3.102  -37.279 -15.970 1.000 24.583 0 683 HOH A O   1 ? 
HETATM 1923 O  O   . HOH D 4 .   ? 21.814  -19.181 -10.258 1.000 31.026 0 684 HOH A O   1 ? 
HETATM 1924 O  O   . HOH D 4 .   ? -14.413 -32.903 -13.816 1.000 14.127 0 685 HOH A O   1 ? 
HETATM 1925 O  O   . HOH D 4 .   ? 4.925   -27.326 -31.993 1.000 20.980 0 686 HOH A O   1 ? 
HETATM 1926 O  O   . HOH D 4 .   ? -4.697  -21.768 -33.605 1.000 36.102 0 687 HOH A O   1 ? 
HETATM 1927 O  O   . HOH D 4 .   ? -14.648 -22.208 -14.783 1.000 22.084 0 688 HOH A O   1 ? 
HETATM 1928 O  O   . HOH D 4 .   ? 8.959   -7.602  -21.772 1.000 20.953 0 689 HOH A O   1 ? 
HETATM 1929 O  O   . HOH D 4 .   ? -16.269 -30.996 -12.749 1.000 25.560 0 690 HOH A O   1 ? 
HETATM 1930 O  O   . HOH D 4 .   ? 13.170  -24.158 -26.784 1.000 33.054 0 691 HOH A O   1 ? 
HETATM 1931 O  O   . HOH D 4 .   ? 19.432  -10.016 -18.715 1.000 30.097 0 692 HOH A O   1 ? 
HETATM 1932 O  O   . HOH D 4 .   ? 15.760  -35.818 -6.111  1.000 41.156 0 693 HOH A O   1 ? 
HETATM 1933 O  O   . HOH D 4 .   ? -11.381 -15.663 -32.074 1.000 49.345 0 694 HOH A O   1 ? 
HETATM 1934 O  O   . HOH D 4 .   ? -12.704 -28.992 10.720  1.000 28.476 0 695 HOH A O   1 ? 
HETATM 1935 O  O   . HOH D 4 .   ? 17.774  -30.127 2.894   1.000 35.792 0 696 HOH A O   1 ? 
HETATM 1936 O  O   . HOH D 4 .   ? -22.309 -17.333 -13.640 1.000 54.905 0 697 HOH A O   1 ? 
HETATM 1937 O  O   . HOH D 4 .   ? 9.532   -5.242  5.018   1.000 28.442 0 698 HOH A O   1 ? 
HETATM 1938 O  O   . HOH D 4 .   ? 20.984  -32.705 -4.993  1.000 41.553 0 699 HOH A O   1 ? 
HETATM 1939 O  O   . HOH D 4 .   ? -1.389  -29.980 -28.817 1.000 26.110 0 700 HOH A O   1 ? 
HETATM 1940 O  O   . HOH D 4 .   ? 11.533  -18.087 -33.291 1.000 25.732 0 701 HOH A O   1 ? 
HETATM 1941 O  O   . HOH D 4 .   ? 13.789  -33.336 -1.203  1.000 38.313 0 702 HOH A O   1 ? 
HETATM 1942 O  O   . HOH D 4 .   ? 16.168  -12.295 -24.112 1.000 25.786 0 703 HOH A O   1 ? 
HETATM 1943 O  O   . HOH D 4 .   ? -8.118  -28.152 -31.737 1.000 39.383 0 704 HOH A O   1 ? 
HETATM 1944 O  O   . HOH D 4 .   ? 2.133   -19.597 -34.157 1.000 34.072 0 705 HOH A O   1 ? 
HETATM 1945 O  O   . HOH D 4 .   ? 16.754  -1.975  -15.977 1.000 41.043 0 706 HOH A O   1 ? 
HETATM 1946 O  O   . HOH D 4 .   ? -2.544  -34.338 -15.415 1.000 18.727 0 707 HOH A O   1 ? 
HETATM 1947 O  O   . HOH D 4 .   ? -10.018 -28.450 11.025  1.000 24.765 0 708 HOH A O   1 ? 
HETATM 1948 O  O   . HOH D 4 .   ? -17.060 -27.921 -2.621  1.000 24.389 0 709 HOH A O   1 ? 
HETATM 1949 O  O   . HOH D 4 .   ? -15.144 -32.553 -2.438  1.000 30.328 0 710 HOH A O   1 ? 
HETATM 1950 O  O   . HOH D 4 .   ? 9.041   -31.066 12.153  1.000 25.325 0 711 HOH A O   1 ? 
HETATM 1951 O  O   . HOH D 4 .   ? -17.440 -27.777 4.669   1.000 31.838 0 712 HOH A O   1 ? 
HETATM 1952 O  O   . HOH D 4 .   ? -16.412 -28.451 -5.428  1.000 14.956 0 713 HOH A O   1 ? 
HETATM 1953 O  O   . HOH D 4 .   ? -16.631 -25.934 -19.719 1.000 32.941 0 714 HOH A O   1 ? 
HETATM 1954 O  O   . HOH D 4 .   ? -4.319  -27.495 -28.999 1.000 20.516 0 715 HOH A O   1 ? 
HETATM 1955 O  O   . HOH D 4 .   ? 12.795  -25.014 -29.208 1.000 30.677 0 716 HOH A O   1 ? 
HETATM 1956 O  O   . HOH D 4 .   ? -0.497  -27.409 -29.110 1.000 15.617 0 717 HOH A O   1 ? 
HETATM 1957 O  O   . HOH D 4 .   ? 14.100  -24.056 -31.384 1.000 29.322 0 718 HOH A O   1 ? 
HETATM 1958 O  O   . HOH D 4 .   ? -18.396 -26.097 6.520   1.000 60.561 0 719 HOH A O   1 ? 
HETATM 1959 O  O   . HOH D 4 .   ? -0.645  -34.678 -13.200 1.000 21.762 0 720 HOH A O   1 ? 
HETATM 1960 O  O   . HOH D 4 .   ? -19.413 -23.045 -10.878 1.000 44.387 0 721 HOH A O   1 ? 
HETATM 1961 O  O   . HOH D 4 .   ? -16.579 -22.112 -16.746 1.000 39.165 0 722 HOH A O   1 ? 
HETATM 1962 O  O   . HOH D 4 .   ? -14.125 -34.732 -1.367  1.000 40.571 0 723 HOH A O   1 ? 
HETATM 1963 O  O   . HOH D 4 .   ? -0.742  -24.013 -31.893 1.000 17.851 0 724 HOH A O   1 ? 
HETATM 1964 O  O   . HOH D 4 .   ? 18.485  -8.941  -21.225 1.000 34.361 0 725 HOH A O   1 ? 
HETATM 1965 O  O   . HOH D 4 .   ? 3.500   -27.121 -34.662 1.000 36.520 0 726 HOH A O   1 ? 
HETATM 1966 O  O   . HOH D 4 .   ? -3.341  -27.519 -31.887 1.000 31.994 0 727 HOH A O   1 ? 
HETATM 1967 O  O   . HOH D 4 .   ? -16.905 -21.633 -20.423 1.000 43.439 0 728 HOH A O   1 ? 
HETATM 1968 O  O   . HOH D 4 .   ? -5.143  -31.563 -29.822 1.000 37.743 0 729 HOH A O   1 ? 
HETATM 1969 O  O   . HOH D 4 .   ? 16.471  -6.728  -21.461 1.000 31.081 0 730 HOH A O   1 ? 
HETATM 1970 O  O   . HOH D 4 .   ? -2.018  -23.048 -34.173 1.000 34.431 0 731 HOH A O   1 ? 
HETATM 1971 O  O   . HOH D 4 .   ? -8.640  -26.653 12.496  1.000 42.269 0 732 HOH A O   1 ? 
HETATM 1972 O  O   . HOH D 4 .   ? -0.882  -26.733 -31.778 1.000 22.113 0 733 HOH A O   1 ? 
HETATM 1973 O  O   . HOH D 4 .   ? -18.949 -31.560 -14.020 1.000 28.362 0 734 HOH A O   1 ? 
# 
