data_9AW4
# 
_entry.id   9AW4 
# 
_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   9AW4         pdb_00009aw4 10.2210/pdb9aw4/pdb 
WWPDB D_1000282139 ?            ?                   
# 
_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                        9AW4 
_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' 
_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    309 ?        ? ? ? 
# 
_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   401 210 HOH HOH A . 
D 4 HOH 2   402 230 HOH HOH A . 
D 4 HOH 3   403 125 HOH HOH A . 
D 4 HOH 4   404 191 HOH HOH A . 
D 4 HOH 5   405 101 HOH HOH A . 
D 4 HOH 6   406 190 HOH HOH A . 
D 4 HOH 7   407 117 HOH HOH A . 
D 4 HOH 8   408 141 HOH HOH A . 
D 4 HOH 9   409 168 HOH HOH A . 
D 4 HOH 10  410 240 HOH HOH A . 
D 4 HOH 11  411 66  HOH HOH A . 
D 4 HOH 12  412 154 HOH HOH A . 
D 4 HOH 13  413 133 HOH HOH A . 
D 4 HOH 14  414 18  HOH HOH A . 
D 4 HOH 15  415 17  HOH HOH A . 
D 4 HOH 16  416 50  HOH HOH A . 
D 4 HOH 17  417 175 HOH HOH A . 
D 4 HOH 18  418 296 HOH HOH A . 
D 4 HOH 19  419 132 HOH HOH A . 
D 4 HOH 20  420 174 HOH HOH A . 
D 4 HOH 21  421 215 HOH HOH A . 
D 4 HOH 22  422 62  HOH HOH A . 
D 4 HOH 23  423 4   HOH HOH A . 
D 4 HOH 24  424 207 HOH HOH A . 
D 4 HOH 25  425 276 HOH HOH A . 
D 4 HOH 26  426 46  HOH HOH A . 
D 4 HOH 27  427 30  HOH HOH A . 
D 4 HOH 28  428 212 HOH HOH A . 
D 4 HOH 29  429 301 HOH HOH A . 
D 4 HOH 30  430 82  HOH HOH A . 
D 4 HOH 31  431 48  HOH HOH A . 
D 4 HOH 32  432 45  HOH HOH A . 
D 4 HOH 33  433 113 HOH HOH A . 
D 4 HOH 34  434 67  HOH HOH A . 
D 4 HOH 35  435 22  HOH HOH A . 
D 4 HOH 36  436 253 HOH HOH A . 
D 4 HOH 37  437 51  HOH HOH A . 
D 4 HOH 38  438 2   HOH HOH A . 
D 4 HOH 39  439 260 HOH HOH A . 
D 4 HOH 40  440 52  HOH HOH A . 
D 4 HOH 41  441 130 HOH HOH A . 
D 4 HOH 42  442 272 HOH HOH A . 
D 4 HOH 43  443 92  HOH HOH A . 
D 4 HOH 44  444 155 HOH HOH A . 
D 4 HOH 45  445 186 HOH HOH A . 
D 4 HOH 46  446 105 HOH HOH A . 
D 4 HOH 47  447 24  HOH HOH A . 
D 4 HOH 48  448 218 HOH HOH A . 
D 4 HOH 49  449 164 HOH HOH A . 
D 4 HOH 50  450 55  HOH HOH A . 
D 4 HOH 51  451 196 HOH HOH A . 
D 4 HOH 52  452 103 HOH HOH A . 
D 4 HOH 53  453 305 HOH HOH A . 
D 4 HOH 54  454 185 HOH HOH A . 
D 4 HOH 55  455 94  HOH HOH A . 
D 4 HOH 56  456 5   HOH HOH A . 
D 4 HOH 57  457 33  HOH HOH A . 
D 4 HOH 58  458 143 HOH HOH A . 
D 4 HOH 59  459 74  HOH HOH A . 
D 4 HOH 60  460 65  HOH HOH A . 
D 4 HOH 61  461 98  HOH HOH A . 
D 4 HOH 62  462 149 HOH HOH A . 
D 4 HOH 63  463 36  HOH HOH A . 
D 4 HOH 64  464 16  HOH HOH A . 
D 4 HOH 65  465 278 HOH HOH A . 
D 4 HOH 66  466 84  HOH HOH A . 
D 4 HOH 67  467 290 HOH HOH A . 
D 4 HOH 68  468 152 HOH HOH A . 
D 4 HOH 69  469 88  HOH HOH A . 
D 4 HOH 70  470 145 HOH HOH A . 
D 4 HOH 71  471 123 HOH HOH A . 
D 4 HOH 72  472 192 HOH HOH A . 
D 4 HOH 73  473 106 HOH HOH A . 
D 4 HOH 74  474 124 HOH HOH A . 
D 4 HOH 75  475 14  HOH HOH A . 
D 4 HOH 76  476 110 HOH HOH A . 
D 4 HOH 77  477 229 HOH HOH A . 
D 4 HOH 78  478 69  HOH HOH A . 
D 4 HOH 79  479 112 HOH HOH A . 
D 4 HOH 80  480 28  HOH HOH A . 
D 4 HOH 81  481 273 HOH HOH A . 
D 4 HOH 82  482 299 HOH HOH A . 
D 4 HOH 83  483 7   HOH HOH A . 
D 4 HOH 84  484 6   HOH HOH A . 
D 4 HOH 85  485 53  HOH HOH A . 
D 4 HOH 86  486 135 HOH HOH A . 
D 4 HOH 87  487 78  HOH HOH A . 
D 4 HOH 88  488 120 HOH HOH A . 
D 4 HOH 89  489 219 HOH HOH A . 
D 4 HOH 90  490 221 HOH HOH A . 
D 4 HOH 91  491 144 HOH HOH A . 
D 4 HOH 92  492 3   HOH HOH A . 
D 4 HOH 93  493 1   HOH HOH A . 
D 4 HOH 94  494 68  HOH HOH A . 
D 4 HOH 95  495 54  HOH HOH A . 
D 4 HOH 96  496 44  HOH HOH A . 
D 4 HOH 97  497 302 HOH HOH A . 
D 4 HOH 98  498 147 HOH HOH A . 
D 4 HOH 99  499 77  HOH HOH A . 
D 4 HOH 100 500 39  HOH HOH A . 
D 4 HOH 101 501 40  HOH HOH A . 
D 4 HOH 102 502 179 HOH HOH A . 
D 4 HOH 103 503 205 HOH HOH A . 
D 4 HOH 104 504 198 HOH HOH A . 
D 4 HOH 105 505 73  HOH HOH A . 
D 4 HOH 106 506 126 HOH HOH A . 
D 4 HOH 107 507 97  HOH HOH A . 
D 4 HOH 108 508 80  HOH HOH A . 
D 4 HOH 109 509 188 HOH HOH A . 
D 4 HOH 110 510 41  HOH HOH A . 
D 4 HOH 111 511 95  HOH HOH A . 
D 4 HOH 112 512 12  HOH HOH A . 
D 4 HOH 113 513 49  HOH HOH A . 
D 4 HOH 114 514 237 HOH HOH A . 
D 4 HOH 115 515 289 HOH HOH A . 
D 4 HOH 116 516 63  HOH HOH A . 
D 4 HOH 117 517 85  HOH HOH A . 
D 4 HOH 118 518 131 HOH HOH A . 
D 4 HOH 119 519 42  HOH HOH A . 
D 4 HOH 120 520 285 HOH HOH A . 
D 4 HOH 121 521 300 HOH HOH A . 
D 4 HOH 122 522 8   HOH HOH A . 
D 4 HOH 123 523 140 HOH HOH A . 
D 4 HOH 124 524 34  HOH HOH A . 
D 4 HOH 125 525 75  HOH HOH A . 
D 4 HOH 126 526 275 HOH HOH A . 
D 4 HOH 127 527 148 HOH HOH A . 
D 4 HOH 128 528 156 HOH HOH A . 
D 4 HOH 129 529 243 HOH HOH A . 
D 4 HOH 130 530 21  HOH HOH A . 
D 4 HOH 131 531 249 HOH HOH A . 
D 4 HOH 132 532 165 HOH HOH A . 
D 4 HOH 133 533 160 HOH HOH A . 
D 4 HOH 134 534 59  HOH HOH A . 
D 4 HOH 135 535 96  HOH HOH A . 
D 4 HOH 136 536 10  HOH HOH A . 
D 4 HOH 137 537 19  HOH HOH A . 
D 4 HOH 138 538 71  HOH HOH A . 
D 4 HOH 139 539 108 HOH HOH A . 
D 4 HOH 140 540 91  HOH HOH A . 
D 4 HOH 141 541 29  HOH HOH A . 
D 4 HOH 142 542 236 HOH HOH A . 
D 4 HOH 143 543 60  HOH HOH A . 
D 4 HOH 144 544 119 HOH HOH A . 
D 4 HOH 145 545 162 HOH HOH A . 
D 4 HOH 146 546 193 HOH HOH A . 
D 4 HOH 147 547 281 HOH HOH A . 
D 4 HOH 148 548 81  HOH HOH A . 
D 4 HOH 149 549 222 HOH HOH A . 
D 4 HOH 150 550 111 HOH HOH A . 
D 4 HOH 151 551 11  HOH HOH A . 
D 4 HOH 152 552 32  HOH HOH A . 
D 4 HOH 153 553 189 HOH HOH A . 
D 4 HOH 154 554 43  HOH HOH A . 
D 4 HOH 155 555 158 HOH HOH A . 
D 4 HOH 156 556 37  HOH HOH A . 
D 4 HOH 157 557 172 HOH HOH A . 
D 4 HOH 158 558 287 HOH HOH A . 
D 4 HOH 159 559 27  HOH HOH A . 
D 4 HOH 160 560 99  HOH HOH A . 
D 4 HOH 161 561 151 HOH HOH A . 
D 4 HOH 162 562 13  HOH HOH A . 
D 4 HOH 163 563 57  HOH HOH A . 
D 4 HOH 164 564 15  HOH HOH A . 
D 4 HOH 165 565 150 HOH HOH A . 
D 4 HOH 166 566 83  HOH HOH A . 
D 4 HOH 167 567 90  HOH HOH A . 
D 4 HOH 168 568 239 HOH HOH A . 
D 4 HOH 169 569 195 HOH HOH A . 
D 4 HOH 170 570 107 HOH HOH A . 
D 4 HOH 171 571 56  HOH HOH A . 
D 4 HOH 172 572 114 HOH HOH A . 
D 4 HOH 173 573 9   HOH HOH A . 
D 4 HOH 174 574 86  HOH HOH A . 
D 4 HOH 175 575 244 HOH HOH A . 
D 4 HOH 176 576 286 HOH HOH A . 
D 4 HOH 177 577 31  HOH HOH A . 
D 4 HOH 178 578 292 HOH HOH A . 
D 4 HOH 179 579 20  HOH HOH A . 
D 4 HOH 180 580 182 HOH HOH A . 
D 4 HOH 181 581 171 HOH HOH A . 
D 4 HOH 182 582 58  HOH HOH A . 
D 4 HOH 183 583 208 HOH HOH A . 
D 4 HOH 184 584 199 HOH HOH A . 
D 4 HOH 185 585 204 HOH HOH A . 
D 4 HOH 186 586 25  HOH HOH A . 
D 4 HOH 187 587 153 HOH HOH A . 
D 4 HOH 188 588 274 HOH HOH A . 
D 4 HOH 189 589 197 HOH HOH A . 
D 4 HOH 190 590 38  HOH HOH A . 
D 4 HOH 191 591 47  HOH HOH A . 
D 4 HOH 192 592 109 HOH HOH A . 
D 4 HOH 193 593 202 HOH HOH A . 
D 4 HOH 194 594 138 HOH HOH A . 
D 4 HOH 195 595 23  HOH HOH A . 
D 4 HOH 196 596 163 HOH HOH A . 
D 4 HOH 197 597 180 HOH HOH A . 
D 4 HOH 198 598 142 HOH HOH A . 
D 4 HOH 199 599 238 HOH HOH A . 
D 4 HOH 200 600 104 HOH HOH A . 
D 4 HOH 201 601 177 HOH HOH A . 
D 4 HOH 202 602 93  HOH HOH A . 
D 4 HOH 203 603 118 HOH HOH A . 
D 4 HOH 204 604 183 HOH HOH A . 
D 4 HOH 205 605 89  HOH HOH A . 
D 4 HOH 206 606 214 HOH HOH A . 
D 4 HOH 207 607 100 HOH HOH A . 
D 4 HOH 208 608 116 HOH HOH A . 
D 4 HOH 209 609 184 HOH HOH A . 
D 4 HOH 210 610 295 HOH HOH A . 
D 4 HOH 211 611 173 HOH HOH A . 
D 4 HOH 212 612 223 HOH HOH A . 
D 4 HOH 213 613 266 HOH HOH A . 
D 4 HOH 214 614 256 HOH HOH A . 
D 4 HOH 215 615 265 HOH HOH A . 
D 4 HOH 216 616 279 HOH HOH A . 
D 4 HOH 217 617 241 HOH HOH A . 
D 4 HOH 218 618 259 HOH HOH A . 
D 4 HOH 219 619 181 HOH HOH A . 
D 4 HOH 220 620 235 HOH HOH A . 
D 4 HOH 221 621 61  HOH HOH A . 
D 4 HOH 222 622 206 HOH HOH A . 
D 4 HOH 223 623 26  HOH HOH A . 
D 4 HOH 224 624 257 HOH HOH A . 
D 4 HOH 225 625 268 HOH HOH A . 
D 4 HOH 226 626 271 HOH HOH A . 
D 4 HOH 227 627 178 HOH HOH A . 
D 4 HOH 228 628 115 HOH HOH A . 
D 4 HOH 229 629 231 HOH HOH A . 
D 4 HOH 230 630 70  HOH HOH A . 
D 4 HOH 231 631 297 HOH HOH A . 
D 4 HOH 232 632 242 HOH HOH A . 
D 4 HOH 233 633 137 HOH HOH A . 
D 4 HOH 234 634 267 HOH HOH A . 
D 4 HOH 235 635 294 HOH HOH A . 
D 4 HOH 236 636 226 HOH HOH A . 
D 4 HOH 237 637 157 HOH HOH A . 
D 4 HOH 238 638 194 HOH HOH A . 
D 4 HOH 239 639 200 HOH HOH A . 
D 4 HOH 240 640 280 HOH HOH A . 
D 4 HOH 241 641 247 HOH HOH A . 
D 4 HOH 242 642 203 HOH HOH A . 
D 4 HOH 243 643 146 HOH HOH A . 
D 4 HOH 244 644 167 HOH HOH A . 
D 4 HOH 245 645 245 HOH HOH A . 
D 4 HOH 246 646 284 HOH HOH A . 
D 4 HOH 247 647 72  HOH HOH A . 
D 4 HOH 248 648 291 HOH HOH A . 
D 4 HOH 249 649 258 HOH HOH A . 
D 4 HOH 250 650 166 HOH HOH A . 
D 4 HOH 251 651 169 HOH HOH A . 
D 4 HOH 252 652 288 HOH HOH A . 
D 4 HOH 253 653 134 HOH HOH A . 
D 4 HOH 254 654 121 HOH HOH A . 
D 4 HOH 255 655 139 HOH HOH A . 
D 4 HOH 256 656 227 HOH HOH A . 
D 4 HOH 257 657 170 HOH HOH A . 
D 4 HOH 258 658 269 HOH HOH A . 
D 4 HOH 259 659 127 HOH HOH A . 
D 4 HOH 260 660 129 HOH HOH A . 
D 4 HOH 261 661 270 HOH HOH A . 
D 4 HOH 262 662 277 HOH HOH A . 
D 4 HOH 263 663 211 HOH HOH A . 
D 4 HOH 264 664 233 HOH HOH A . 
D 4 HOH 265 665 187 HOH HOH A . 
D 4 HOH 266 666 79  HOH HOH A . 
D 4 HOH 267 667 232 HOH HOH A . 
D 4 HOH 268 668 282 HOH HOH A . 
D 4 HOH 269 669 217 HOH HOH A . 
D 4 HOH 270 670 35  HOH HOH A . 
D 4 HOH 271 671 176 HOH HOH A . 
D 4 HOH 272 672 87  HOH HOH A . 
D 4 HOH 273 673 303 HOH HOH A . 
D 4 HOH 274 674 76  HOH HOH A . 
D 4 HOH 275 675 136 HOH HOH A . 
D 4 HOH 276 676 252 HOH HOH A . 
D 4 HOH 277 677 304 HOH HOH A . 
D 4 HOH 278 678 213 HOH HOH A . 
D 4 HOH 279 679 122 HOH HOH A . 
D 4 HOH 280 680 220 HOH HOH A . 
D 4 HOH 281 681 159 HOH HOH A . 
D 4 HOH 282 682 264 HOH HOH A . 
D 4 HOH 283 683 102 HOH HOH A . 
D 4 HOH 284 684 224 HOH HOH A . 
D 4 HOH 285 685 216 HOH HOH A . 
D 4 HOH 286 686 234 HOH HOH A . 
D 4 HOH 287 687 161 HOH HOH A . 
D 4 HOH 288 688 225 HOH HOH A . 
D 4 HOH 289 689 261 HOH HOH A . 
D 4 HOH 290 690 251 HOH HOH A . 
D 4 HOH 291 691 64  HOH HOH A . 
D 4 HOH 292 692 228 HOH HOH A . 
D 4 HOH 293 693 308 HOH HOH A . 
D 4 HOH 294 694 248 HOH HOH A . 
D 4 HOH 295 695 250 HOH HOH A . 
D 4 HOH 296 696 298 HOH HOH A . 
D 4 HOH 297 697 309 HOH HOH A . 
D 4 HOH 298 698 306 HOH HOH A . 
D 4 HOH 299 699 293 HOH HOH A . 
D 4 HOH 300 700 283 HOH HOH A . 
D 4 HOH 301 701 246 HOH HOH A . 
D 4 HOH 302 702 263 HOH HOH A . 
D 4 HOH 303 703 262 HOH HOH A . 
D 4 HOH 304 704 254 HOH HOH A . 
D 4 HOH 305 705 209 HOH HOH A . 
D 4 HOH 306 706 255 HOH HOH A . 
D 4 HOH 307 707 128 HOH HOH A . 
D 4 HOH 308 708 201 HOH HOH A . 
D 4 HOH 309 709 307 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                     9AW4 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     54.490 
_cell.length_a_esd                 ? 
_cell.length_b                     58.282 
_cell.length_b_esd                 ? 
_cell.length_c                     66.660 
_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                         9AW4 
_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                   9AW4 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.27 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          45.79 
_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              9.4 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     125 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     CMOS 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'BRUKER PHOTON 100' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-11-01 
_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                                       9AW4 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.499 
_reflns.d_resolution_low                               23.989 
_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                                     34353 
_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                           98.87 
_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                          19.03 
_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                                   0.813 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.5 
_reflns_shell.d_res_low                                     23.97 
_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                             2331 
_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                                  0.813 
_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]                            -0.073 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            0.062 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            0.011 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               7.611 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.942 
_refine.correlation_coeff_Fo_to_Fc_free          0.917 
_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                                 9AW4 
_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                            1.499 
_refine.ls_d_res_low                             23.989 
_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                     34353 
_refine.ls_number_reflns_R_free                  1708 
_refine.ls_number_reflns_R_work                  32645 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.869 
_refine.ls_percent_reflns_R_free                 4.972 
_refine.ls_R_factor_all                          0.192 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2197 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1902 
_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                      0.190 
_refine.ls_wR_factor_R_work                      0.164 
_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                       0.081 
_refine.pdbx_overall_ESU_R_Free                  0.082 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             1.555 
_refine.overall_SU_ML                            0.057 
_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                    0.9711 
_refine.pdbx_average_fsc_free                    0.9626 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.499 
_refine_hist.d_res_low                        23.989 
_refine_hist.number_atoms_solvent             309 
_refine_hist.number_atoms_total               1948 
_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' ? 0.009  0.012  1669 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1540 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.703  1.758  2263 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.613  1.726  3563 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.153  5.000  222  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 11.655 5.000  3    ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 1.590  5.000  1    ? r_dihedral_angle_other_2_deg   ? ? 
'X-RAY DIFFRACTION' ? 11.555 10.000 269  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.968 10.000 58   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.089  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' ? 0.218  0.200  308  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.200  0.200  1432 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.178  0.200  837  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.084  0.200  925  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.276  0.200  200  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.141  0.200  4    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.167  0.200  7    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.163  0.200  36   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.205  0.200  30   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 0.025  0.200  1    ? r_symmetry_metal_ion_refined   ? ? 
'X-RAY DIFFRACTION' ? 0.812  0.693  891  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 0.808  0.692  891  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 1.310  1.243  1112 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 1.310  1.244  1113 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 1.438  0.797  778  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.437  0.797  779  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.248  1.386  1151 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.248  1.386  1151 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 4.632  11.111 1998 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.012  8.549  1882 ? 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' 1.499 1.538  2530 . 115 2334 96.7984  . 0.253 . . 0.252 . . . . . 0.227 . 20 . 0.953 0.950 0.275 
'X-RAY DIFFRACTION' 1.538 1.580  2442 . 103 2219 95.0860  . 0.262 . . 0.262 . . . . . 0.239 . 20 . 0.942 0.929 0.258 
'X-RAY DIFFRACTION' 1.580 1.626  2405 . 99  2224 96.5904  . 0.239 . . 0.238 . . . . . 0.208 . 20 . 0.950 0.931 0.261 
'X-RAY DIFFRACTION' 1.626 1.675  2316 . 103 2170 98.1433  . 0.222 . . 0.220 . . . . . 0.193 . 20 . 0.959 0.947 0.258 
'X-RAY DIFFRACTION' 1.675 1.730  2269 . 106 2147 99.2948  . 0.205 . . 0.203 . . . . . 0.175 . 20 . 0.968 0.952 0.253 
'X-RAY DIFFRACTION' 1.730 1.791  2169 . 122 2046 99.9539  . 0.191 . . 0.187 . . . . . 0.161 . 20 . 0.975 0.963 0.248 
'X-RAY DIFFRACTION' 1.791 1.858  2120 . 115 2004 99.9528  . 0.174 . . 0.171 . . . . . 0.147 . 20 . 0.980 0.974 0.217 
'X-RAY DIFFRACTION' 1.858 1.933  2036 . 114 1921 99.9509  . 0.181 . . 0.181 . . . . . 0.155 . 20 . 0.979 0.977 0.183 
'X-RAY DIFFRACTION' 1.933 2.018  1961 . 99  1861 99.9490  . 0.181 . . 0.178 . . . . . 0.151 . 20 . 0.979 0.967 0.232 
'X-RAY DIFFRACTION' 2.018 2.116  1875 . 104 1768 99.8400  . 0.175 . . 0.174 . . . . . 0.152 . 20 . 0.981 0.975 0.193 
'X-RAY DIFFRACTION' 2.116 2.230  1786 . 76  1704 99.6641  . 0.178 . . 0.177 . . . . . 0.152 . 20 . 0.981 0.972 0.220 
'X-RAY DIFFRACTION' 2.230 2.364  1696 . 77  1615 99.7642  . 0.175 . . 0.174 . . . . . 0.149 . 20 . 0.981 0.974 0.201 
'X-RAY DIFFRACTION' 2.364 2.525  1605 . 96  1507 99.8754  . 0.189 . . 0.187 . . . . . 0.164 . 20 . 0.978 0.969 0.219 
'X-RAY DIFFRACTION' 2.525 2.725  1494 . 79  1414 99.9331  . 0.180 . . 0.177 . . . . . 0.157 . 20 . 0.980 0.969 0.222 
'X-RAY DIFFRACTION' 2.725 2.981  1394 . 66  1328 100.0000 . 0.192 . . 0.191 . . . . . 0.167 . 20 . 0.977 0.972 0.210 
'X-RAY DIFFRACTION' 2.981 3.327  1256 . 55  1200 99.9204  . 0.187 . . 0.187 . . . . . 0.169 . 20 . 0.978 0.972 0.196 
'X-RAY DIFFRACTION' 3.327 3.829  1131 . 60  1069 99.8232  . 0.188 . . 0.185 . . . . . 0.169 . 20 . 0.981 0.965 0.245 
'X-RAY DIFFRACTION' 3.829 4.660  969  . 55  914  100.0000 . 0.137 . . 0.137 . . . . . 0.133 . 20 . 0.990 0.989 0.139 
'X-RAY DIFFRACTION' 4.660 6.469  777  . 44  733  100.0000 . 0.176 . . 0.173 . . . . . 0.162 . 20 . 0.985 0.977 0.228 
'X-RAY DIFFRACTION' 6.469 23.989 489  . 20  468  99.7955  . 0.223 . . 0.221 . . . . . 0.209 . 20 . 0.970 0.962 0.285 
# 
_struct.entry_id                     9AW4 
_struct.title                        'Crystal structure of trypsin at 125 Kelvin with benzamidine (triplicate)' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        9AW4 
_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              9AW4 
_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 ? ? ? ? ? ? ? 1.993 ? ? 
disulf2 disulf ? ? A CYS 25  SG  ? ? ? 1_555 A CYS 41  SG ? ? A CYS 25  A CYS 41  1_555 ? ? ? ? ? ? ? 2.049 ? ? 
disulf3 disulf ? ? A CYS 109 SG  ? ? ? 1_555 A CYS 210 SG ? ? A CYS 109 A CYS 210 1_555 ? ? ? ? ? ? ? 2.050 ? ? 
disulf4 disulf ? ? A CYS 116 SG  ? ? ? 1_555 A CYS 183 SG ? ? A CYS 116 A CYS 183 1_555 ? ? ? ? ? ? ? 1.960 ? ? 
disulf5 disulf ? ? A CYS 148 SG  ? ? ? 1_555 A CYS 162 SG ? ? A CYS 148 A CYS 162 1_555 ? ? ? ? ? ? ? 2.027 ? ? 
disulf6 disulf ? ? A CYS 173 SG  ? ? ? 1_555 A CYS 197 SG ? ? A CYS 173 A CYS 197 1_555 ? ? ? ? ? ? ? 2.022 ? ? 
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 ? ? ? ? ? ? ? 2.303 ? ? 
metalc3 metalc ? ? A VAL 57  O   ? ? ? 1_555 B CA  .   CA ? ? A VAL 57  A CA  301 1_555 ? ? ? ? ? ? ? 2.234 ? ? 
metalc4 metalc ? ? A GLU 62  OE2 ? ? ? 1_555 B CA  .   CA ? ? A GLU 62  A CA  301 1_555 ? ? ? ? ? ? ? 2.345 ? ? 
metalc5 metalc ? ? B CA  .   CA  ? ? ? 1_555 D HOH .   O  ? ? A CA  301 A HOH 520 1_555 ? ? ? ? ? ? ? 2.396 ? ? 
# 
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 91.5  ? 
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_555 164.2 ? 
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 80.7  ? 
4  OE1 ? A GLU 52 ? A GLU 52 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 102.4 ? 
5  O   ? A ASN 54 ? A ASN 54 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 159.7 ? 
6  O   ? A VAL 57 ? A VAL 57 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 89.0  ? 
7  OE1 ? A GLU 52 ? A GLU 52 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 520 ? 1_555 79.1  ? 
8  O   ? A ASN 54 ? A ASN 54 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 520 ? 1_555 102.8 ? 
9  O   ? A VAL 57 ? A VAL 57 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 520 ? 1_555 89.2  ? 
10 OE2 ? A GLU 62 ? A GLU 62 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 520 ? 1_555 94.4  ? 
# 
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 ILE A 65  ? O ILE A 65  N VAL A 48  ? N VAL A 48  
AA2 6 7 O GLN A 47  ? O GLN A 47  N ASN A 19  ? N ASN A 19  
# 
_pdbx_entry_details.entry_id                   9AW4 
_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 O A HOH 589 ? ? O A HOH 601 ? ? 2.13 
2 1 O A HOH 444 ? ? O A HOH 632 ? ? 2.18 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     693 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     703 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   4_546 
_pdbx_validate_symm_contact.dist              2.15 
# 
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 VAL A 12 ? ? -119.59 73.68  
2 1 ASP A 53 ? ? -118.47 -83.40 
# 
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 706 ? 6.21 . 
2 1 O ? A HOH 707 ? 6.62 . 
3 1 O ? A HOH 708 ? 6.84 . 
4 1 O ? A HOH 709 ? 7.09 . 
# 
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                    9AW4 
_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]   0.018352 
_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]   0.017158 
_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]   0.015002 
_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   ? 8.009   -19.560 13.369  1.000 4.035  0 1   ILE A N   1 ? 
ATOM   2    C  CA  . ILE A 1 1   ? 8.035   -20.455 14.579  1.000 4.051  0 1   ILE A CA  1 ? 
ATOM   3    C  C   . ILE A 1 1   ? 9.330   -20.162 15.340  1.000 4.222  0 1   ILE A C   1 ? 
ATOM   4    O  O   . ILE A 1 1   ? 10.423  -20.264 14.795  1.000 4.106  0 1   ILE A O   1 ? 
ATOM   5    C  CB  . ILE A 1 1   ? 7.971   -21.940 14.147  1.000 4.123  0 1   ILE A CB  1 ? 
ATOM   6    C  CG1 . ILE A 1 1   ? 6.768   -22.267 13.262  1.000 4.140  0 1   ILE A CG1 1 ? 
ATOM   7    C  CG2 . ILE A 1 1   ? 8.014   -22.883 15.335  1.000 4.408  0 1   ILE A CG2 1 ? 
ATOM   8    C  CD1 . ILE A 1 1   ? 5.432   -22.302 13.980  1.000 4.060  0 1   ILE A CD1 1 ? 
ATOM   9    N  N   . VAL A 1 2   ? 9.186   -19.870 16.624  1.000 4.195  0 2   VAL A N   1 ? 
ATOM   10   C  CA  . VAL A 1 2   ? 10.296  -19.638 17.536  1.000 4.506  0 2   VAL A CA  1 ? 
ATOM   11   C  C   . VAL A 1 2   ? 10.437  -20.891 18.391  1.000 4.679  0 2   VAL A C   1 ? 
ATOM   12   O  O   . VAL A 1 2   ? 9.464   -21.374 18.988  1.000 4.496  0 2   VAL A O   1 ? 
ATOM   13   C  CB  . VAL A 1 2   ? 9.993   -18.395 18.398  1.000 4.741  0 2   VAL A CB  1 ? 
ATOM   14   C  CG1 . VAL A 1 2   ? 11.091  -18.228 19.441  1.000 5.077  0 2   VAL A CG1 1 ? 
ATOM   15   C  CG2 . VAL A 1 2   ? 9.819   -17.128 17.558  1.000 5.246  0 2   VAL A CG2 1 ? 
ATOM   16   N  N   . GLY A 1 3   ? 11.678  -21.365 18.543  1.000 4.677  0 3   GLY A N   1 ? 
ATOM   17   C  CA  . GLY A 1 3   ? 11.968  -22.482 19.420  1.000 4.999  0 3   GLY A CA  1 ? 
ATOM   18   C  C   . GLY A 1 3   ? 11.442  -23.833 18.920  1.000 5.095  0 3   GLY A C   1 ? 
ATOM   19   O  O   . GLY A 1 3   ? 11.279  -24.755 19.732  1.000 6.048  0 3   GLY A O   1 ? 
ATOM   20   N  N   . GLY A 1 4   ? 11.188  -23.952 17.610  1.000 5.486  0 4   GLY A N   1 ? 
ATOM   21   C  CA  . GLY A 1 4   ? 10.812  -25.241 17.038  1.000 5.333  0 4   GLY A CA  1 ? 
ATOM   22   C  C   . GLY A 1 4   ? 11.984  -25.946 16.361  1.000 5.736  0 4   GLY A C   1 ? 
ATOM   23   O  O   . GLY A 1 4   ? 13.140  -25.816 16.771  1.000 6.488  0 4   GLY A O   1 ? 
ATOM   24   N  N   . TYR A 1 5   ? 11.627  -26.701 15.319  1.000 5.294  0 5   TYR A N   1 ? 
ATOM   25   C  CA  . TYR A 1 5   ? 12.547  -27.580 14.638  1.000 5.272  0 5   TYR A CA  1 ? 
ATOM   26   C  C   . TYR A 1 5   ? 12.189  -27.618 13.152  1.000 5.380  0 5   TYR A C   1 ? 
ATOM   27   O  O   . TYR A 1 5   ? 11.093  -27.289 12.710  1.000 5.826  0 5   TYR A O   1 ? 
ATOM   28   C  CB  . TYR A 1 5   ? 12.556  -28.954 15.321  1.000 5.222  0 5   TYR A CB  1 ? 
ATOM   29   C  CG  . TYR A 1 5   ? 11.244  -29.706 15.200  1.000 5.395  0 5   TYR A CG  1 ? 
ATOM   30   C  CD1 . TYR A 1 5   ? 10.210  -29.456 16.103  1.000 5.585  0 5   TYR A CD1 1 ? 
ATOM   31   C  CD2 . TYR A 1 5   ? 11.002  -30.640 14.202  1.000 5.337  0 5   TYR A CD2 1 ? 
ATOM   32   C  CE1 . TYR A 1 5   ? 8.998   -30.113 16.013  1.000 5.972  0 5   TYR A CE1 1 ? 
ATOM   33   C  CE2 . TYR A 1 5   ? 9.775   -31.297 14.102  1.000 5.826  0 5   TYR A CE2 1 ? 
ATOM   34   C  CZ  . TYR A 1 5   ? 8.754   -31.019 15.000  1.000 5.829  0 5   TYR A CZ  1 ? 
ATOM   35   O  OH  . TYR A 1 5   ? 7.525   -31.652 14.977  1.000 6.933  0 5   TYR A OH  1 ? 
ATOM   36   N  N   . THR A 1 6   ? 13.177  -27.985 12.347  1.000 5.855  0 6   THR A N   1 ? 
ATOM   37   C  CA  . THR A 1 6   ? 12.962  -28.177 10.922  1.000 5.459  0 6   THR A CA  1 ? 
ATOM   38   C  C   . THR A 1 6   ? 12.052  -29.377 10.701  1.000 5.633  0 6   THR A C   1 ? 
ATOM   39   O  O   . THR A 1 6   ? 12.412  -30.501 11.078  1.000 6.528  0 6   THR A O   1 ? 
ATOM   40   C  CB  . THR A 1 6   ? 14.303  -28.396 10.219  1.000 5.294  0 6   THR A CB  1 ? 
ATOM   41   O  OG1 . THR A 1 6   ? 15.003  -27.154 10.350  1.000 5.262  0 6   THR A OG1 1 ? 
ATOM   42   C  CG2 . THR A 1 6   ? 14.121  -28.803 8.770   1.000 5.658  0 6   THR A CG2 1 ? 
ATOM   43   N  N   . CYS A 1 7   ? 10.892  -29.187 10.044  1.000 5.244  0 7   CYS A N   1 ? 
ATOM   44   C  CA  . CYS A 1 7   ? 9.906   -30.267 10.010  1.000 5.044  0 7   CYS A CA  1 ? 
ATOM   45   C  C   . CYS A 1 7   ? 10.448  -31.489 9.261   1.000 5.693  0 7   CYS A C   1 ? 
ATOM   46   O  O   . CYS A 1 7   ? 10.149  -32.638 9.581   1.000 7.041  0 7   CYS A O   1 ? 
ATOM   47   C  CB  . CYS A 1 7   ? 8.691   -29.794 9.230   1.000 4.459  0 7   CYS A CB  1 ? 
ATOM   48   S  SG  . CYS A 1 7   ? 7.768   -28.418 9.969   1.000 3.958  0 7   CYS A SG  1 ? 
ATOM   49   N  N   . GLY A 1 8   ? 11.111  -31.198 8.151   1.000 5.377  0 8   GLY A N   1 ? 
ATOM   50   C  CA  . GLY A 1 8   ? 11.448  -32.170 7.124   1.000 5.182  0 8   GLY A CA  1 ? 
ATOM   51   C  C   . GLY A 1 8   ? 10.609  -31.892 5.886   1.000 4.616  0 8   GLY A C   1 ? 
ATOM   52   O  O   . GLY A 1 8   ? 9.431   -31.626 5.983   1.000 4.762  0 8   GLY A O   1 ? 
ATOM   53   N  N   . ALA A 1 9   ? 11.212  -31.986 4.690   1.000 4.719  0 9   ALA A N   1 ? 
ATOM   54   C  CA  . ALA A 1 9   ? 10.508  -31.680 3.449   1.000 4.856  0 9   ALA A CA  1 ? 
ATOM   55   C  C   . ALA A 1 9   ? 9.275   -32.537 3.236   1.000 5.661  0 9   ALA A C   1 ? 
ATOM   56   O  O   . ALA A 1 9   ? 9.349   -33.762 3.222   1.000 5.804  0 9   ALA A O   1 ? 
ATOM   57   C  CB  . ALA A 1 9   ? 11.436  -31.818 2.279   1.000 4.712  0 9   ALA A CB  1 ? 
ATOM   58   N  N   . ASN A 1 10  ? 8.118   -31.845 3.134   1.000 5.377  0 10  ASN A N   1 ? 
ATOM   59   C  CA  . ASN A 1 10  ? 6.857   -32.383 2.681   1.000 5.820  0 10  ASN A CA  1 ? 
ATOM   60   C  C   . ASN A 1 10  ? 6.306   -33.313 3.753   1.000 5.715  0 10  ASN A C   1 ? 
ATOM   61   O  O   . ASN A 1 10  ? 5.493   -34.182 3.451   1.000 6.442  0 10  ASN A O   1 ? 
ATOM   62   C  CB  . ASN A 1 10  ? 6.975   -33.088 1.346   1.000 5.945  0 10  ASN A CB  1 ? 
ATOM   63   C  CG  . ASN A 1 10  ? 7.548   -32.154 0.306   1.000 6.299  0 10  ASN A CG  1 ? 
ATOM   64   O  OD1 . ASN A 1 10  ? 8.642   -32.403 -0.231  1.000 7.028  0 10  ASN A OD1 1 ? 
ATOM   65   N  ND2 . ASN A 1 10  ? 6.843   -31.063 0.028   1.000 6.316  0 10  ASN A ND2 1 ? 
ATOM   66   N  N   . THR A 1 11  ? 6.770   -33.158 4.997   1.000 5.331  0 11  THR A N   1 ? 
ATOM   67   C  CA  . THR A 1 11  ? 6.229   -33.959 6.113   1.000 5.245  0 11  THR A CA  1 ? 
ATOM   68   C  C   . THR A 1 11  ? 4.923   -33.430 6.693   1.000 5.246  0 11  THR A C   1 ? 
ATOM   69   O  O   . THR A 1 11  ? 4.285   -34.073 7.537   1.000 5.554  0 11  THR A O   1 ? 
ATOM   70   C  CB  . THR A 1 11  ? 7.259   -34.060 7.243   1.000 5.028  0 11  THR A CB  1 ? 
ATOM   71   O  OG1 . THR A 1 11  ? 7.601   -32.781 7.815   1.000 5.159  0 11  THR A OG1 1 ? 
ATOM   72   C  CG2 . THR A 1 11  ? 8.472   -34.837 6.773   1.000 5.248  0 11  THR A CG2 1 ? 
ATOM   73   N  N   . VAL A 1 12  ? 4.573   -32.213 6.290   1.000 5.002  0 12  VAL A N   1 ? 
ATOM   74   C  CA  . VAL A 1 12  ? 3.340   -31.535 6.663   1.000 4.432  0 12  VAL A CA  1 ? 
ATOM   75   C  C   . VAL A 1 12  ? 2.558   -31.248 5.389   1.000 4.161  0 12  VAL A C   1 ? 
ATOM   76   O  O   . VAL A 1 12  ? 2.570   -30.144 4.908   1.000 3.739  0 12  VAL A O   1 ? 
ATOM   77   C  CB  . VAL A 1 12  ? 3.633   -30.258 7.461   1.000 4.889  0 12  VAL A CB  1 ? 
ATOM   78   C  CG1 . VAL A 1 12  ? 2.331   -29.668 7.987   1.000 4.870  0 12  VAL A CG1 1 ? 
ATOM   79   C  CG2 . VAL A 1 12  ? 4.594   -30.512 8.626   1.000 4.987  0 12  VAL A CG2 1 ? 
ATOM   80   N  N   . PRO A 1 13  ? 1.955   -32.277 4.782   1.000 4.131  0 13  PRO A N   1 ? 
ATOM   81   C  CA  . PRO A 1 13  ? 1.551   -32.173 3.373   1.000 4.102  0 13  PRO A CA  1 ? 
ATOM   82   C  C   . PRO A 1 13  ? 0.351   -31.272 3.099   1.000 4.101  0 13  PRO A C   1 ? 
ATOM   83   O  O   . PRO A 1 13  ? 0.109   -30.930 1.953   1.000 4.186  0 13  PRO A O   1 ? 
ATOM   84   C  CB  . PRO A 1 13  ? 1.319   -33.671 3.024   1.000 4.302  0 13  PRO A CB  1 ? 
ATOM   85   C  CG  . PRO A 1 13  ? 0.855   -34.257 4.308   1.000 4.531  0 13  PRO A CG  1 ? 
ATOM   86   C  CD  . PRO A 1 13  ? 1.795   -33.644 5.310   1.000 4.384  0 13  PRO A CD  1 ? 
ATOM   87   N  N   . TYR A 1 14  ? -0.354  -30.897 4.161   1.000 4.149  0 14  TYR A N   1 ? 
ATOM   88   C  CA  . TYR A 1 14  ? -1.454  -29.952 4.101   1.000 3.958  0 14  TYR A CA  1 ? 
ATOM   89   C  C   . TYR A 1 14  ? -1.030  -28.495 4.273   1.000 4.106  0 14  TYR A C   1 ? 
ATOM   90   O  O   . TYR A 1 14  ? -1.839  -27.597 4.082   1.000 4.082  0 14  TYR A O   1 ? 
ATOM   91   C  CB  . TYR A 1 14  ? -2.493  -30.275 5.192   1.000 3.982  0 14  TYR A CB  1 ? 
ATOM   92   C  CG  . TYR A 1 14  ? -1.840  -30.453 6.551   1.000 4.236  0 14  TYR A CG  1 ? 
ATOM   93   C  CD1 . TYR A 1 14  ? -1.609  -29.357 7.375   1.000 4.456  0 14  TYR A CD1 1 ? 
ATOM   94   C  CD2 . TYR A 1 14  ? -1.485  -31.714 6.994   1.000 4.498  0 14  TYR A CD2 1 ? 
ATOM   95   C  CE1 . TYR A 1 14  ? -1.063  -29.510 8.642   1.000 4.136  0 14  TYR A CE1 1 ? 
ATOM   96   C  CE2 . TYR A 1 14  ? -0.876  -31.873 8.226   1.000 4.516  0 14  TYR A CE2 1 ? 
ATOM   97   C  CZ  . TYR A 1 14  ? -0.670  -30.769 9.037   1.000 4.581  0 14  TYR A CZ  1 ? 
ATOM   98   O  OH  . TYR A 1 14  ? -0.054  -30.893 10.248  1.000 4.223  0 14  TYR A OH  1 ? 
ATOM   99   N  N   . GLN A 1 15  ? 0.229   -28.247 4.679   1.000 3.747  0 15  GLN A N   1 ? 
ATOM   100  C  CA  . GLN A 1 15  ? 0.750   -26.895 4.812   1.000 3.742  0 15  GLN A CA  1 ? 
ATOM   101  C  C   . GLN A 1 15  ? 0.882   -26.186 3.460   1.000 3.874  0 15  GLN A C   1 ? 
ATOM   102  O  O   . GLN A 1 15  ? 1.575   -26.666 2.528   1.000 3.736  0 15  GLN A O   1 ? 
ATOM   103  C  CB  . GLN A 1 15  ? 2.119   -26.898 5.488   1.000 3.435  0 15  GLN A CB  1 ? 
ATOM   104  C  CG  . GLN A 1 15  ? 2.740   -25.516 5.585   1.000 3.340  0 15  GLN A CG  1 ? 
ATOM   105  C  CD  . GLN A 1 15  ? 2.215   -24.700 6.754   1.000 3.249  0 15  GLN A CD  1 ? 
ATOM   106  O  OE1 . GLN A 1 15  ? 2.272   -25.102 7.929   1.000 3.601  0 15  GLN A OE1 1 ? 
ATOM   107  N  NE2 . GLN A 1 15  ? 1.853   -23.449 6.487   1.000 3.263  0 15  GLN A NE2 1 ? 
ATOM   108  N  N   . VAL A 1 16  ? 0.259   -25.006 3.373   1.000 4.339  0 16  VAL A N   1 ? 
ATOM   109  C  CA  . VAL A 1 16  ? 0.421   -24.195 2.178   1.000 5.312  0 16  VAL A CA  1 ? 
ATOM   110  C  C   . VAL A 1 16  ? 1.103   -22.871 2.542   1.000 4.608  0 16  VAL A C   1 ? 
ATOM   111  O  O   . VAL A 1 16  ? 1.065   -22.365 3.683   1.000 4.025  0 16  VAL A O   1 ? 
ATOM   112  C  CB  . VAL A 1 16  ? -0.884  -23.983 1.393   1.000 7.952  0 16  VAL A CB  1 ? 
ATOM   113  C  CG1 . VAL A 1 16  ? -1.903  -25.134 1.477   1.000 9.590  0 16  VAL A CG1 1 ? 
ATOM   114  C  CG2 . VAL A 1 16  ? -1.513  -22.672 1.698   1.000 8.643  0 16  VAL A CG2 1 ? 
ATOM   115  N  N   . SER A 1 17  ? 1.723   -22.296 1.502   1.000 3.859  0 17  SER A N   1 ? 
ATOM   116  C  CA  . SER A 1 17  ? 2.219   -20.937 1.553   1.000 3.812  0 17  SER A CA  1 ? 
ATOM   117  C  C   . SER A 1 17  ? 1.366   -20.042 0.669   1.000 3.786  0 17  SER A C   1 ? 
ATOM   118  O  O   . SER A 1 17  ? 1.107   -20.410 -0.482  1.000 3.521  0 17  SER A O   1 ? 
ATOM   119  C  CB  . SER A 1 17  ? 3.670   -20.885 1.124   1.000 3.553  0 17  SER A CB  1 ? 
ATOM   120  O  OG  . SER A 1 17  ? 4.093   -19.528 0.924   1.000 3.534  0 17  SER A OG  1 ? 
ATOM   121  N  N   . LEU A 1 18  ? 0.894   -18.918 1.211   1.000 3.933  0 18  LEU A N   1 ? 
ATOM   122  C  CA  . LEU A 1 18  ? 0.175   -17.900 0.463   1.000 4.101  0 18  LEU A CA  1 ? 
ATOM   123  C  C   . LEU A 1 18  ? 1.220   -16.900 -0.048  1.000 3.956  0 18  LEU A C   1 ? 
ATOM   124  O  O   . LEU A 1 18  ? 1.995   -16.343 0.745   1.000 3.543  0 18  LEU A O   1 ? 
ATOM   125  C  CB  . LEU A 1 18  ? -0.937  -17.216 1.266   1.000 4.470  0 18  LEU A CB  1 ? 
ATOM   126  C  CG  . LEU A 1 18  ? -1.971  -18.122 1.938   1.000 4.774  0 18  LEU A CG  1 ? 
ATOM   127  C  CD1 . LEU A 1 18  ? -3.057  -17.280 2.589   1.000 5.108  0 18  LEU A CD1 1 ? 
ATOM   128  C  CD2 . LEU A 1 18  ? -2.594  -19.044 0.933   1.000 4.963  0 18  LEU A CD2 1 ? 
ATOM   129  N  N   . ASN A 1 19  ? 1.218   -16.686 -1.370  1.000 4.087  0 19  ASN A N   1 ? 
ATOM   130  C  CA  . ASN A 1 19  ? 2.252   -15.936 -2.070  1.000 4.213  0 19  ASN A CA  1 ? 
ATOM   131  C  C   . ASN A 1 19  ? 1.553   -14.817 -2.856  1.000 4.376  0 19  ASN A C   1 ? 
ATOM   132  O  O   . ASN A 1 19  ? 0.694   -15.078 -3.694  1.000 3.923  0 19  ASN A O   1 ? 
ATOM   133  C  CB  . ASN A 1 19  ? 3.094   -16.852 -2.955  1.000 4.251  0 19  ASN A CB  1 ? 
ATOM   134  C  CG  . ASN A 1 19  ? 4.269   -16.129 -3.573  1.000 4.276  0 19  ASN A CG  1 ? 
ATOM   135  O  OD1 . ASN A 1 19  ? 4.101   -15.359 -4.531  1.000 4.746  0 19  ASN A OD1 1 ? 
ATOM   136  N  ND2 . ASN A 1 19  ? 5.460   -16.454 -3.072  1.000 4.185  0 19  ASN A ND2 1 ? 
ATOM   137  N  N   . SER A 1 20  ? 2.056   -13.585 -2.679  1.000 4.997  0 20  SER A N   1 ? 
ATOM   138  C  CA  . SER A 1 20  ? 1.659   -12.418 -3.471  1.000 6.121  0 20  SER A CA  1 ? 
ATOM   139  C  C   . SER A 1 20  ? 2.900   -11.714 -4.018  1.000 6.124  0 20  SER A C   1 ? 
ATOM   140  O  O   . SER A 1 20  ? 3.048   -10.491 -3.880  1.000 7.559  0 20  SER A O   1 ? 
ATOM   141  C  CB  . SER A 1 20  ? 0.850   -11.438 -2.641  1.000 6.831  0 20  SER A CB  1 ? 
ATOM   142  O  OG  . SER A 1 20  ? 1.583   -10.908 -1.554  1.000 8.175  0 20  SER A OG  1 ? 
ATOM   143  N  N   . GLY A 1 21  ? 3.828   -12.513 -4.561  1.000 5.721  0 21  GLY A N   1 ? 
ATOM   144  C  CA  . GLY A 1 21  ? 5.161   -12.038 -4.897  1.000 6.120  0 21  GLY A CA  1 ? 
ATOM   145  C  C   . GLY A 1 21  ? 6.220   -12.525 -3.909  1.000 5.977  0 21  GLY A C   1 ? 
ATOM   146  O  O   . GLY A 1 21  ? 7.435   -12.387 -4.169  1.000 6.579  0 21  GLY A O   1 ? 
ATOM   147  N  N   . TYR A 1 22  ? 5.742   -13.036 -2.750  1.000 6.177  0 22  TYR A N   1 ? 
ATOM   148  C  CA  . TYR A 1 22  ? 6.548   -13.415 -1.601  1.000 5.693  0 22  TYR A CA  1 ? 
ATOM   149  C  C   . TYR A 1 22  ? 5.595   -14.139 -0.670  1.000 5.010  0 22  TYR A C   1 ? 
ATOM   150  O  O   . TYR A 1 22  ? 4.397   -13.909 -0.744  1.000 4.953  0 22  TYR A O   1 ? 
ATOM   151  C  CB  . TYR A 1 22  ? 7.178   -12.205 -0.893  1.000 6.486  0 22  TYR A CB  1 ? 
ATOM   152  C  CG  . TYR A 1 22  ? 6.147   -11.109 -0.730  1.000 7.780  0 22  TYR A CG  1 ? 
ATOM   153  C  CD1 . TYR A 1 22  ? 5.969   -10.156 -1.732  1.000 9.901  0 22  TYR A CD1 1 ? 
ATOM   154  C  CD2 . TYR A 1 22  ? 5.261   -11.101 0.339   1.000 9.143  0 22  TYR A CD2 1 ? 
ATOM   155  C  CE1 . TYR A 1 22  ? 4.971   -9.214  -1.662  1.000 10.482 0 22  TYR A CE1 1 ? 
ATOM   156  C  CE2 . TYR A 1 22  ? 4.240   -10.160 0.409   1.000 10.375 0 22  TYR A CE2 1 ? 
ATOM   157  C  CZ  . TYR A 1 22  ? 4.097   -9.225  -0.608  1.000 11.967 0 22  TYR A CZ  1 ? 
ATOM   158  O  OH  . TYR A 1 22  ? 3.122   -8.254  -0.621  1.000 17.181 0 22  TYR A OH  1 ? 
ATOM   159  N  N   . HIS A 1 23  ? 6.134   -15.041 0.153   1.000 4.860  0 23  HIS A N   1 ? 
ATOM   160  C  CA  . HIS A 1 23  ? 5.351   -15.669 1.214   1.000 4.565  0 23  HIS A CA  1 ? 
ATOM   161  C  C   . HIS A 1 23  ? 4.851   -14.584 2.164   1.000 4.876  0 23  HIS A C   1 ? 
ATOM   162  O  O   . HIS A 1 23  ? 5.669   -13.813 2.678   1.000 4.802  0 23  HIS A O   1 ? 
ATOM   163  C  CB  . HIS A 1 23  ? 6.227   -16.661 1.981   1.000 4.324  0 23  HIS A CB  1 ? 
ATOM   164  C  CG  . HIS A 1 23  ? 5.574   -17.160 3.215   1.000 4.295  0 23  HIS A CG  1 ? 
ATOM   165  N  ND1 . HIS A 1 23  ? 4.629   -18.167 3.211   1.000 4.087  0 23  HIS A ND1 1 ? 
ATOM   166  C  CD2 . HIS A 1 23  ? 5.674   -16.702 4.488   1.000 4.465  0 23  HIS A CD2 1 ? 
ATOM   167  C  CE1 . HIS A 1 23  ? 4.228   -18.314 4.471   1.000 4.292  0 23  HIS A CE1 1 ? 
ATOM   168  N  NE2 . HIS A 1 23  ? 4.843   -17.456 5.271   1.000 4.551  0 23  HIS A NE2 1 ? 
ATOM   169  N  N   . PHE A 1 24  ? 3.554   -14.627 2.501   1.000 4.821  0 24  PHE A N   1 ? 
ATOM   170  C  CA  . PHE A 1 24  ? 3.043   -13.712 3.509   1.000 4.834  0 24  PHE A CA  1 ? 
ATOM   171  C  C   . PHE A 1 24  ? 2.151   -14.359 4.568   1.000 5.042  0 24  PHE A C   1 ? 
ATOM   172  O  O   . PHE A 1 24  ? 1.903   -13.729 5.585   1.000 5.338  0 24  PHE A O   1 ? 
ATOM   173  C  CB  . PHE A 1 24  ? 2.341   -12.550 2.825   1.000 5.342  0 24  PHE A CB  1 ? 
ATOM   174  C  CG  . PHE A 1 24  ? 1.030   -12.939 2.198   1.000 5.239  0 24  PHE A CG  1 ? 
ATOM   175  C  CD1 . PHE A 1 24  ? -0.144  -12.935 2.956   1.000 5.825  0 24  PHE A CD1 1 ? 
ATOM   176  C  CD2 . PHE A 1 24  ? 0.935   -13.266 0.841   1.000 5.301  0 24  PHE A CD2 1 ? 
ATOM   177  C  CE1 . PHE A 1 24  ? -1.353  -13.305 2.375   1.000 5.760  0 24  PHE A CE1 1 ? 
ATOM   178  C  CE2 . PHE A 1 24  ? -0.265  -13.668 0.291   1.000 5.277  0 24  PHE A CE2 1 ? 
ATOM   179  C  CZ  . PHE A 1 24  ? -1.432  -13.630 1.058   1.000 5.725  0 24  PHE A CZ  1 ? 
ATOM   180  N  N   . CYS A 1 25  ? 1.719   -15.597 4.383   1.000 4.557  0 25  CYS A N   1 ? 
ATOM   181  C  CA  . CYS A 1 25  ? 0.863   -16.251 5.359   1.000 4.364  0 25  CYS A CA  1 ? 
ATOM   182  C  C   . CYS A 1 25  ? 0.871   -17.731 5.056   1.000 4.034  0 25  CYS A C   1 ? 
ATOM   183  O  O   . CYS A 1 25  ? 1.174   -18.129 3.942   1.000 4.105  0 25  CYS A O   1 ? 
ATOM   184  C  CB  . CYS A 1 25  ? -0.575  -15.745 5.334   1.000 4.373  0 25  CYS A CB  1 ? 
ATOM   185  S  SG  . CYS A 1 25  ? -0.879  -14.296 6.406   1.000 4.480  0 25  CYS A SG  1 ? 
ATOM   186  N  N   . GLY A 1 26  ? 0.555   -18.533 6.065   1.000 3.719  0 26  GLY A N   1 ? 
ATOM   187  C  CA  . GLY A 1 26  ? 0.270   -19.946 5.877   1.000 4.014  0 26  GLY A CA  1 ? 
ATOM   188  C  C   . GLY A 1 26  ? -1.213  -20.186 5.594   1.000 3.924  0 26  GLY A C   1 ? 
ATOM   189  O  O   . GLY A 1 26  ? -2.047  -19.293 5.614   1.000 3.691  0 26  GLY A O   1 ? 
ATOM   190  N  N   . GLY A 1 27  ? -1.503  -21.453 5.356   1.000 3.982  0 27  GLY A N   1 ? 
ATOM   191  C  CA  . GLY A 1 27  ? -2.844  -21.950 5.145   1.000 3.966  0 27  GLY A CA  1 ? 
ATOM   192  C  C   . GLY A 1 27  ? -2.837  -23.459 5.256   1.000 3.953  0 27  GLY A C   1 ? 
ATOM   193  O  O   . GLY A 1 27  ? -1.762  -24.052 5.329   1.000 3.856  0 27  GLY A O   1 ? 
ATOM   194  N  N   . SER A 1 28  ? -4.024  -24.068 5.262   1.000 3.817  0 28  SER A N   1 ? 
ATOM   195  C  CA  . SER A 1 28  ? -4.188  -25.513 5.319   1.000 3.933  0 28  SER A CA  1 ? 
ATOM   196  C  C   . SER A 1 28  ? -5.090  -25.990 4.171   1.000 4.036  0 28  SER A C   1 ? 
ATOM   197  O  O   . SER A 1 28  ? -6.193  -25.456 3.994   1.000 4.138  0 28  SER A O   1 ? 
ATOM   198  C  CB  . SER A 1 28  ? -4.758  -25.945 6.644   1.000 4.472  0 28  SER A CB  1 ? 
ATOM   199  O  OG  . SER A 1 28  ? -3.955  -25.457 7.694   1.000 4.634  0 28  SER A OG  1 ? 
ATOM   200  N  N   . LEU A 1 29  ? -4.622  -27.008 3.451   1.000 3.783  0 29  LEU A N   1 ? 
ATOM   201  C  CA  . LEU A 1 29  ? -5.427  -27.617 2.393   1.000 4.126  0 29  LEU A CA  1 ? 
ATOM   202  C  C   . LEU A 1 29  ? -6.483  -28.531 3.025   1.000 4.610  0 29  LEU A C   1 ? 
ATOM   203  O  O   . LEU A 1 29  ? -6.119  -29.446 3.757   1.000 4.292  0 29  LEU A O   1 ? 
ATOM   204  C  CB  . LEU A 1 29  ? -4.516  -28.410 1.465   1.000 4.122  0 29  LEU A CB  1 ? 
ATOM   205  C  CG  . LEU A 1 29  ? -5.172  -28.902 0.175   1.000 4.298  0 29  LEU A CG  1 ? 
ATOM   206  C  CD1 . LEU A 1 29  ? -5.565  -27.779 -0.740  1.000 4.263  0 29  LEU A CD1 1 ? 
ATOM   207  C  CD2 . LEU A 1 29  ? -4.234  -29.884 -0.524  1.000 4.691  0 29  LEU A CD2 1 ? 
ATOM   208  N  N   . ILE A 1 30  ? -7.762  -28.325 2.711   1.000 5.187  0 30  ILE A N   1 ? 
ATOM   209  C  CA  . ILE A 1 30  ? -8.806  -29.108 3.381   1.000 6.154  0 30  ILE A CA  1 ? 
ATOM   210  C  C   . ILE A 1 30  ? -9.548  -29.983 2.374   1.000 6.513  0 30  ILE A C   1 ? 
ATOM   211  O  O   . ILE A 1 30  ? -10.243 -30.896 2.790   1.000 7.405  0 30  ILE A O   1 ? 
ATOM   212  C  CB  . ILE A 1 30  ? -9.773  -28.296 4.244   1.000 6.938  0 30  ILE A CB  1 ? 
ATOM   213  C  CG1 . ILE A 1 30  ? -10.466 -27.188 3.436   1.000 8.000  0 30  ILE A CG1 1 ? 
ATOM   214  C  CG2 . ILE A 1 30  ? -9.066  -27.784 5.507   1.000 6.690  0 30  ILE A CG2 1 ? 
ATOM   215  C  CD1 . ILE A 1 30  ? -11.709 -26.628 4.119   1.000 8.396  0 30  ILE A CD1 1 ? 
ATOM   216  N  N   . ASN A 1 31  ? -9.348  -29.759 1.072   1.000 7.097  0 31  ASN A N   1 ? 
ATOM   217  C  CA  . ASN A 1 31  ? -9.733  -30.711 0.037   1.000 8.054  0 31  ASN A CA  1 ? 
ATOM   218  C  C   . ASN A 1 31  ? -9.020  -30.267 -1.228  1.000 7.694  0 31  ASN A C   1 ? 
ATOM   219  O  O   . ASN A 1 31  ? -8.282  -29.296 -1.172  1.000 7.139  0 31  ASN A O   1 ? 
ATOM   220  C  CB  . ASN A 1 31  ? -11.238 -30.807 -0.164  1.000 9.338  0 31  ASN A CB  1 ? 
ATOM   221  C  CG  . ASN A 1 31  ? -11.839 -29.470 -0.529  1.000 11.208 0 31  ASN A CG  1 ? 
ATOM   222  O  OD1 . ASN A 1 31  ? -11.402 -28.789 -1.450  1.000 9.193  0 31  ASN A OD1 1 ? 
ATOM   223  N  ND2 . ASN A 1 31  ? -12.847 -29.069 0.218   1.000 15.197 0 31  ASN A ND2 1 ? 
ATOM   224  N  N   . SER A 1 32  ? -9.242  -30.940 -2.353  1.000 7.905  0 32  SER A N   1 ? 
ATOM   225  C  CA  . SER A 1 32  ? -8.473  -30.647 -3.541  1.000 8.216  0 32  SER A CA  1 ? 
ATOM   226  C  C   . SER A 1 32  ? -8.625  -29.210 -4.031  1.000 8.203  0 32  SER A C   1 ? 
ATOM   227  O  O   . SER A 1 32  ? -7.816  -28.737 -4.818  1.000 8.442  0 32  SER A O   1 ? 
ATOM   228  C  CB  . SER A 1 32  ? -8.860  -31.591 -4.678  1.000 8.372  0 32  SER A CB  1 ? 
ATOM   229  O  OG  . SER A 1 32  ? -10.192 -31.329 -5.073  1.000 9.318  0 32  SER A OG  1 ? 
ATOM   230  N  N   . GLN A 1 33  ? -9.691  -28.508 -3.664  1.000 8.403  0 33  GLN A N   1 ? 
ATOM   231  C  CA  . GLN A 1 33  ? -9.876  -27.167 -4.210  1.000 8.444  0 33  GLN A CA  1 ? 
ATOM   232  C  C   . GLN A 1 33  ? -9.974  -26.031 -3.178  1.000 6.230  0 33  GLN A C   1 ? 
ATOM   233  O  O   . GLN A 1 33  ? -10.241 -24.886 -3.597  1.000 5.644  0 33  GLN A O   1 ? 
ATOM   234  C  CB  . GLN A 1 33  ? -11.181 -27.054 -4.994  1.000 11.100 0 33  GLN A CB  1 ? 
ATOM   235  C  CG  . GLN A 1 33  ? -11.410 -28.128 -6.043  1.000 14.937 0 33  GLN A CG  1 ? 
ATOM   236  C  CD  . GLN A 1 33  ? -12.728 -27.930 -6.760  1.000 17.452 0 33  GLN A CD  1 ? 
ATOM   237  O  OE1 . GLN A 1 33  ? -13.802 -28.429 -6.360  1.000 22.936 0 33  GLN A OE1 1 ? 
ATOM   238  N  NE2 . GLN A 1 33  ? -12.628 -27.242 -7.868  1.000 18.205 0 33  GLN A NE2 1 ? 
ATOM   239  N  N   . TRP A 1 34  ? -9.855  -26.315 -1.869  1.000 4.923  0 34  TRP A N   1 ? 
ATOM   240  C  CA  . TRP A 1 34  ? -10.116 -25.314 -0.837  1.000 4.612  0 34  TRP A CA  1 ? 
ATOM   241  C  C   . TRP A 1 34  ? -9.006  -25.300 0.199   1.000 4.397  0 34  TRP A C   1 ? 
ATOM   242  O  O   . TRP A 1 34  ? -8.582  -26.331 0.670   1.000 4.683  0 34  TRP A O   1 ? 
ATOM   243  C  CB  . TRP A 1 34  ? -11.437 -25.563 -0.111  1.000 4.594  0 34  TRP A CB  1 ? 
ATOM   244  C  CG  . TRP A 1 34  ? -12.639 -25.270 -0.971  1.000 5.036  0 34  TRP A CG  1 ? 
ATOM   245  C  CD1 . TRP A 1 34  ? -13.286 -26.137 -1.798  1.000 5.781  0 34  TRP A CD1 1 ? 
ATOM   246  C  CD2 . TRP A 1 34  ? -13.316 -24.003 -1.071  1.000 5.246  0 34  TRP A CD2 1 ? 
ATOM   247  N  NE1 . TRP A 1 34  ? -14.323 -25.497 -2.403  1.000 5.659  0 34  TRP A NE1 1 ? 
ATOM   248  C  CE2 . TRP A 1 34  ? -14.381 -24.190 -1.975  1.000 5.434  0 34  TRP A CE2 1 ? 
ATOM   249  C  CE3 . TRP A 1 34  ? -13.162 -22.746 -0.467  1.000 5.265  0 34  TRP A CE3 1 ? 
ATOM   250  C  CZ2 . TRP A 1 34  ? -15.274 -23.163 -2.290  1.000 5.576  0 34  TRP A CZ2 1 ? 
ATOM   251  C  CZ3 . TRP A 1 34  ? -14.022 -21.727 -0.793  1.000 5.811  0 34  TRP A CZ3 1 ? 
ATOM   252  C  CH2 . TRP A 1 34  ? -15.041 -21.922 -1.721  1.000 5.875  0 34  TRP A CH2 1 ? 
ATOM   253  N  N   . VAL A 1 35  ? -8.641  -24.085 0.579   1.000 3.973  0 35  VAL A N   1 ? 
ATOM   254  C  CA  . VAL A 1 35  ? -7.689  -23.793 1.639   1.000 4.080  0 35  VAL A CA  1 ? 
ATOM   255  C  C   . VAL A 1 35  ? -8.368  -22.969 2.729   1.000 4.329  0 35  VAL A C   1 ? 
ATOM   256  O  O   . VAL A 1 35  ? -9.137  -22.050 2.443   1.000 4.011  0 35  VAL A O   1 ? 
ATOM   257  C  CB  . VAL A 1 35  ? -6.505  -23.032 1.013   1.000 3.825  0 35  VAL A CB  1 ? 
ATOM   258  C  CG1 . VAL A 1 35  ? -5.636  -22.387 2.111   1.000 3.596  0 35  VAL A CG1 1 ? 
ATOM   259  C  CG2 . VAL A 1 35  ? -5.678  -23.879 0.054   1.000 3.913  0 35  VAL A CG2 1 ? 
ATOM   260  N  N   . VAL A 1 36  ? -8.041  -23.270 3.994   1.000 4.852  0 36  VAL A N   1 ? 
ATOM   261  C  CA  . VAL A 1 36  ? -8.435  -22.460 5.149   1.000 5.455  0 36  VAL A CA  1 ? 
ATOM   262  C  C   . VAL A 1 36  ? -7.242  -21.641 5.624   1.000 4.765  0 36  VAL A C   1 ? 
ATOM   263  O  O   . VAL A 1 36  ? -6.138  -22.166 5.754   1.000 4.576  0 36  VAL A O   1 ? 
ATOM   264  C  CB  . VAL A 1 36  ? -8.888  -23.391 6.294   1.000 7.252  0 36  VAL A CB  1 ? 
ATOM   265  C  CG1 . VAL A 1 36  ? -8.897  -22.726 7.663   1.000 9.170  0 36  VAL A CG1 1 ? 
ATOM   266  C  CG2 . VAL A 1 36  ? -10.235 -23.981 6.006   1.000 7.561  0 36  VAL A CG2 1 ? 
ATOM   267  N  N   . SER A 1 37  ? -7.485  -20.345 5.866   1.000 3.948  0 37  SER A N   1 ? 
ATOM   268  C  CA  . SER A 1 37  ? -6.430  -19.507 6.409   1.000 3.676  0 37  SER A CA  1 ? 
ATOM   269  C  C   . SER A 1 37  ? -7.039  -18.536 7.410   1.000 3.634  0 37  SER A C   1 ? 
ATOM   270  O  O   . SER A 1 37  ? -8.153  -18.742 7.856   1.000 2.926  0 37  SER A O   1 ? 
ATOM   271  C  CB  . SER A 1 37  ? -5.658  -18.838 5.277   1.000 3.632  0 37  SER A CB  1 ? 
ATOM   272  O  OG  . SER A 1 37  ? -4.536  -18.094 5.755   1.000 3.548  0 37  SER A OG  1 ? 
ATOM   273  N  N   . ALA A 1 38  ? -6.266  -17.543 7.860   1.000 3.529  0 38  ALA A N   1 ? 
ATOM   274  C  CA  . ALA A 1 38  ? -6.801  -16.504 8.757   1.000 3.607  0 38  ALA A CA  1 ? 
ATOM   275  C  C   . ALA A 1 38  ? -7.360  -15.362 7.929   1.000 3.877  0 38  ALA A C   1 ? 
ATOM   276  O  O   . ALA A 1 38  ? -6.779  -14.992 6.934   1.000 3.786  0 38  ALA A O   1 ? 
ATOM   277  C  CB  . ALA A 1 38  ? -5.706  -15.957 9.664   1.000 3.826  0 38  ALA A CB  1 ? 
ATOM   278  N  N   . ALA A 1 39  ? -8.485  -14.788 8.325   1.000 3.622  0 39  ALA A N   1 ? 
ATOM   279  C  CA  . ALA A 1 39  ? -9.045  -13.611 7.676   1.000 3.794  0 39  ALA A CA  1 ? 
ATOM   280  C  C   . ALA A 1 39  ? -8.074  -12.443 7.649   1.000 3.789  0 39  ALA A C   1 ? 
ATOM   281  O  O   . ALA A 1 39  ? -8.099  -11.703 6.676   1.000 3.578  0 39  ALA A O   1 ? 
ATOM   282  C  CB  . ALA A 1 39  ? -10.329 -13.188 8.337   1.000 3.615  0 39  ALA A CB  1 ? 
ATOM   283  N  N   . HIS A 1 40  ? -7.254  -12.282 8.703   1.000 4.140  0 40  HIS A N   1 ? 
ATOM   284  C  CA  . HIS A 1 40  ? -6.300  -11.182 8.700   1.000 4.230  0 40  HIS A CA  1 ? 
ATOM   285  C  C   . HIS A 1 40  ? -5.231  -11.329 7.616   1.000 4.554  0 40  HIS A C   1 ? 
ATOM   286  O  O   . HIS A 1 40  ? -4.527  -10.348 7.378   1.000 5.156  0 40  HIS A O   1 ? 
ATOM   287  C  CB  . HIS A 1 40  ? -5.763  -10.915 10.103  1.000 4.501  0 40  HIS A CB  1 ? 
ATOM   288  C  CG  . HIS A 1 40  ? -4.578  -11.671 10.512  1.000 4.877  0 40  HIS A CG  1 ? 
ATOM   289  N  ND1 . HIS A 1 40  ? -4.644  -12.701 11.420  1.000 4.608  0 40  HIS A ND1 1 ? 
ATOM   290  C  CD2 . HIS A 1 40  ? -3.294  -11.481 10.208  1.000 4.688  0 40  HIS A CD2 1 ? 
ATOM   291  C  CE1 . HIS A 1 40  ? -3.406  -13.137 11.648  1.000 5.251  0 40  HIS A CE1 1 ? 
ATOM   292  N  NE2 . HIS A 1 40  ? -2.559  -12.393 10.936  1.000 4.951  0 40  HIS A NE2 1 ? 
ATOM   293  N  N   . CYS A 1 41  ? -5.127  -12.509 6.993   1.000 4.476  0 41  CYS A N   1 ? 
ATOM   294  C  CA  . CYS A 1 41  ? -4.272  -12.765 5.852   1.000 4.955  0 41  CYS A CA  1 ? 
ATOM   295  C  C   . CYS A 1 41  ? -4.932  -12.361 4.527   1.000 6.011  0 41  CYS A C   1 ? 
ATOM   296  O  O   . CYS A 1 41  ? -4.279  -12.450 3.484   1.000 7.621  0 41  CYS A O   1 ? 
ATOM   297  C  CB  . CYS A 1 41  ? -3.880  -14.235 5.761   1.000 4.887  0 41  CYS A CB  1 ? 
ATOM   298  S  SG  . CYS A 1 41  ? -2.761  -14.724 7.093   1.000 5.155  0 41  CYS A SG  1 ? 
ATOM   299  N  N   . TYR A 1 42  ? -6.168  -11.869 4.506   1.000 6.096  0 42  TYR A N   1 ? 
ATOM   300  C  CA  . TYR A 1 42  ? -6.820  -11.520 3.258   1.000 6.886  0 42  TYR A CA  1 ? 
ATOM   301  C  C   . TYR A 1 42  ? -5.989  -10.513 2.467   1.000 7.101  0 42  TYR A C   1 ? 
ATOM   302  O  O   . TYR A 1 42  ? -5.571  -9.481  2.981   1.000 6.649  0 42  TYR A O   1 ? 
ATOM   303  C  CB  . TYR A 1 42  ? -8.241  -10.992 3.526   1.000 7.374  0 42  TYR A CB  1 ? 
ATOM   304  C  CG  . TYR A 1 42  ? -8.756  -10.272 2.279   1.000 8.846  0 42  TYR A CG  1 ? 
ATOM   305  C  CD1 . TYR A 1 42  ? -9.244  -10.980 1.194   1.000 8.691  0 42  TYR A CD1 1 ? 
ATOM   306  C  CD2 . TYR A 1 42  ? -8.671  -8.898  2.184   1.000 9.578  0 42  TYR A CD2 1 ? 
ATOM   307  C  CE1 . TYR A 1 42  ? -9.626  -10.306 0.042   1.000 9.477  0 42  TYR A CE1 1 ? 
ATOM   308  C  CE2 . TYR A 1 42  ? -9.039  -8.207  1.040   1.000 10.852 0 42  TYR A CE2 1 ? 
ATOM   309  C  CZ  . TYR A 1 42  ? -9.558  -8.921  -0.020  1.000 10.766 0 42  TYR A CZ  1 ? 
ATOM   310  O  OH  . TYR A 1 42  ? -9.856  -8.199  -1.162  1.000 13.968 0 42  TYR A OH  1 ? 
ATOM   311  N  N   . LYS A 1 43  ? -5.933  -10.783 1.165   1.000 8.298  0 43  LYS A N   1 ? 
ATOM   312  C  CA  . LYS A 1 43  ? -5.536  -9.776  0.181   1.000 10.043 0 43  LYS A CA  1 ? 
ATOM   313  C  C   . LYS A 1 43  ? -5.950  -10.304 -1.179  1.000 9.989  0 43  LYS A C   1 ? 
ATOM   314  O  O   . LYS A 1 43  ? -6.294  -11.464 -1.328  1.000 9.043  0 43  LYS A O   1 ? 
ATOM   315  C  CB  . LYS A 1 43  ? -4.053  -9.420  0.270   1.000 13.273 0 43  LYS A CB  1 ? 
ATOM   316  C  CG  . LYS A 1 43  ? -3.183  -10.588 0.005   1.000 13.113 0 43  LYS A CG  1 ? 
ATOM   317  C  CD  . LYS A 1 43  ? -1.761  -10.154 -0.304  1.000 14.490 0 43  LYS A CD  1 ? 
ATOM   318  C  CE  . LYS A 1 43  ? -1.028  -9.741  0.890   1.000 14.524 0 43  LYS A CE  1 ? 
ATOM   319  N  NZ  . LYS A 1 43  ? 0.301   -9.258  0.467   1.000 16.688 0 43  LYS A NZ  1 ? 
ATOM   320  N  N   . SER A 1 44  ? -5.918  -9.438  -2.198  1.000 12.188 0 44  SER A N   1 ? 
ATOM   321  C  CA  . SER A 1 44  ? -6.209  -9.964  -3.527  1.000 13.459 0 44  SER A CA  1 ? 
ATOM   322  C  C   . SER A 1 44  ? -4.885  -10.410 -4.144  1.000 13.499 0 44  SER A C   1 ? 
ATOM   323  O  O   . SER A 1 44  ? -3.803  -10.119 -3.622  1.000 13.227 0 44  SER A O   1 ? 
ATOM   324  C  CB  . SER A 1 44  ? -6.916  -8.921  -4.356  1.000 16.090 0 44  SER A CB  1 ? 
ATOM   325  O  OG  . SER A 1 44  ? -6.095  -7.774  -4.362  1.000 17.961 0 44  SER A OG  1 ? 
ATOM   326  N  N   . GLY A 1 45  ? -4.975  -11.195 -5.212  1.000 14.673 0 45  GLY A N   1 ? 
ATOM   327  C  CA  . GLY A 1 45  ? -3.763  -11.560 -5.935  1.000 13.235 0 45  GLY A CA  1 ? 
ATOM   328  C  C   . GLY A 1 45  ? -2.967  -12.675 -5.250  1.000 12.065 0 45  GLY A C   1 ? 
ATOM   329  O  O   . GLY A 1 45  ? -1.725  -12.706 -5.341  1.000 14.817 0 45  GLY A O   1 ? 
ATOM   330  N  N   . ILE A 1 46  ? -3.699  -13.592 -4.610  1.000 10.946 0 46  ILE A N   1 ? 
ATOM   331  C  CA  . ILE A 1 46  ? -3.050  -14.694 -3.914  1.000 9.696  0 46  ILE A CA  1 ? 
ATOM   332  C  C   . ILE A 1 46  ? -2.786  -15.806 -4.920  1.000 8.260  0 46  ILE A C   1 ? 
ATOM   333  O  O   . ILE A 1 46  ? -3.715  -16.257 -5.592  1.000 7.892  0 46  ILE A O   1 ? 
ATOM   334  C  CB  . ILE A 1 46  ? -3.921  -15.187 -2.738  1.000 9.550  0 46  ILE A CB  1 ? 
ATOM   335  C  CG1 . ILE A 1 46  ? -4.091  -14.091 -1.681  1.000 9.594  0 46  ILE A CG1 1 ? 
ATOM   336  C  CG2 . ILE A 1 46  ? -3.381  -16.460 -2.103  1.000 9.094  0 46  ILE A CG2 1 ? 
ATOM   337  C  CD1 . ILE A 1 46  ? -4.968  -14.468 -0.492  1.000 10.072 0 46  ILE A CD1 1 ? 
ATOM   338  N  N   . GLN A 1 47  ? -1.543  -16.330 -4.886  1.000 6.867  0 47  GLN A N   1 ? 
ATOM   339  C  CA  . GLN A 1 47  ? -1.206  -17.635 -5.430  1.000 6.351  0 47  GLN A CA  1 ? 
ATOM   340  C  C   . GLN A 1 47  ? -0.974  -18.611 -4.287  1.000 6.117  0 47  GLN A C   1 ? 
ATOM   341  O  O   . GLN A 1 47  ? -0.202  -18.307 -3.384  1.000 5.748  0 47  GLN A O   1 ? 
ATOM   342  C  CB  . GLN A 1 47  ? 0.058   -17.581 -6.292  1.000 6.322  0 47  GLN A CB  1 ? 
ATOM   343  C  CG  . GLN A 1 47  ? 0.351   -18.867 -7.072  1.000 6.505  0 47  GLN A CG  1 ? 
ATOM   344  C  CD  . GLN A 1 47  ? 1.663   -18.777 -7.821  1.000 6.616  0 47  GLN A CD  1 ? 
ATOM   345  O  OE1 . GLN A 1 47  ? 2.731   -18.537 -7.240  1.000 6.178  0 47  GLN A OE1 1 ? 
ATOM   346  N  NE2 . GLN A 1 47  ? 1.560   -18.889 -9.126  1.000 7.914  0 47  GLN A NE2 1 ? 
ATOM   347  N  N   . VAL A 1 48  ? -1.647  -19.752 -4.320  1.000 5.661  0 48  VAL A N   1 ? 
ATOM   348  C  CA  . VAL A 1 48  ? -1.454  -20.777 -3.298  1.000 5.490  0 48  VAL A CA  1 ? 
ATOM   349  C  C   . VAL A 1 48  ? -0.315  -21.687 -3.728  1.000 4.986  0 48  VAL A C   1 ? 
ATOM   350  O  O   . VAL A 1 48  ? -0.327  -22.150 -4.860  1.000 4.456  0 48  VAL A O   1 ? 
ATOM   351  C  CB  . VAL A 1 48  ? -2.760  -21.564 -3.124  1.000 6.243  0 48  VAL A CB  1 ? 
ATOM   352  C  CG1 . VAL A 1 48  ? -2.593  -22.708 -2.131  1.000 6.831  0 48  VAL A CG1 1 ? 
ATOM   353  C  CG2 . VAL A 1 48  ? -3.869  -20.623 -2.681  1.000 6.471  0 48  VAL A CG2 1 ? 
ATOM   354  N  N   . ARG A 1 49  ? 0.657   -21.894 -2.837  1.000 4.790  0 49  ARG A N   1 ? 
ATOM   355  C  CA  . ARG A 1 49  ? 1.808   -22.751 -3.105  1.000 4.588  0 49  ARG A CA  1 ? 
ATOM   356  C  C   . ARG A 1 49  ? 1.765   -23.976 -2.195  1.000 4.747  0 49  ARG A C   1 ? 
ATOM   357  O  O   . ARG A 1 49  ? 1.893   -23.872 -0.976  1.000 4.602  0 49  ARG A O   1 ? 
ATOM   358  C  CB  . ARG A 1 49  ? 3.088   -21.926 -2.967  1.000 4.775  0 49  ARG A CB  1 ? 
ATOM   359  C  CG  . ARG A 1 49  ? 3.090   -20.822 -4.025  1.000 4.785  0 49  ARG A CG  1 ? 
ATOM   360  C  CD  . ARG A 1 49  ? 4.447   -20.127 -4.083  1.000 5.382  0 49  ARG A CD  1 ? 
ATOM   361  N  NE  . ARG A 1 49  ? 4.528   -19.364 -5.338  1.000 5.559  0 49  ARG A NE  1 ? 
ATOM   362  C  CZ  . ARG A 1 49  ? 5.659   -18.997 -5.905  1.000 6.249  0 49  ARG A CZ  1 ? 
ATOM   363  N  NH1 . ARG A 1 49  ? 6.822   -19.233 -5.269  1.000 7.250  0 49  ARG A NH1 1 ? 
ATOM   364  N  NH2 . ARG A 1 49  ? 5.595   -18.477 -7.122  1.000 6.400  0 49  ARG A NH2 1 ? 
ATOM   365  N  N   . LEU A 1 50  ? 1.533   -25.117 -2.825  1.000 4.892  0 50  LEU A N   1 ? 
ATOM   366  C  CA  . LEU A 1 50  ? 1.367   -26.413 -2.190  1.000 5.322  0 50  LEU A CA  1 ? 
ATOM   367  C  C   . LEU A 1 50  ? 2.648   -27.191 -2.414  1.000 5.242  0 50  LEU A C   1 ? 
ATOM   368  O  O   . LEU A 1 50  ? 3.355   -26.942 -3.371  1.000 4.885  0 50  LEU A O   1 ? 
ATOM   369  C  CB  . LEU A 1 50  ? 0.176   -27.128 -2.817  1.000 6.162  0 50  LEU A CB  1 ? 
ATOM   370  C  CG  . LEU A 1 50  ? -1.170  -26.392 -2.769  1.000 7.699  0 50  LEU A CG  1 ? 
ATOM   371  C  CD1 . LEU A 1 50  ? -1.464  -25.696 -4.064  1.000 9.359  0 50  LEU A CD1 1 ? 
ATOM   372  C  CD2 . LEU A 1 50  ? -2.293  -27.355 -2.502  1.000 9.888  0 50  LEU A CD2 1 ? 
ATOM   373  N  N   . GLY A 1 51  ? 2.937   -28.184 -1.572  1.000 5.418  0 51  GLY A N   1 ? 
ATOM   374  C  CA  . GLY A 1 51  ? 4.081   -29.037 -1.807  1.000 5.361  0 51  GLY A CA  1 ? 
ATOM   375  C  C   . GLY A 1 51  ? 5.425   -28.324 -1.560  1.000 5.339  0 51  GLY A C   1 ? 
ATOM   376  O  O   . GLY A 1 51  ? 6.484   -28.801 -1.994  1.000 6.150  0 51  GLY A O   1 ? 
ATOM   377  N  N   . GLU A 1 52  ? 5.393   -27.229 -0.781  1.000 4.646  0 52  GLU A N   1 ? 
ATOM   378  C  CA  . GLU A 1 52  ? 6.613   -26.481 -0.471  1.000 4.344  0 52  GLU A CA  1 ? 
ATOM   379  C  C   . GLU A 1 52  ? 7.384   -27.069 0.720   1.000 4.335  0 52  GLU A C   1 ? 
ATOM   380  O  O   . GLU A 1 52  ? 6.766   -27.417 1.755   1.000 4.284  0 52  GLU A O   1 ? 
ATOM   381  C  CB  . GLU A 1 52  ? 6.279   -25.010 -0.173  1.000 4.564  0 52  GLU A CB  1 ? 
ATOM   382  C  CG  . GLU A 1 52  ? 5.835   -24.195 -1.392  1.000 4.739  0 52  GLU A CG  1 ? 
ATOM   383  C  CD  . GLU A 1 52  ? 6.996   -23.771 -2.289  1.000 5.153  0 52  GLU A CD  1 ? 
ATOM   384  O  OE1 . GLU A 1 52  ? 8.085   -24.357 -2.171  1.000 6.284  0 52  GLU A OE1 1 ? 
ATOM   385  O  OE2 . GLU A 1 52  ? 6.832   -22.752 -2.994  1.000 5.051  0 52  GLU A OE2 1 ? 
ATOM   386  N  N   . ASP A 1 53  ? 8.733   -26.986 0.550   1.000 4.275  0 53  ASP A N   1 ? 
ATOM   387  C  CA  . ASP A 1 53  ? 9.673   -26.979 1.671   1.000 4.199  0 53  ASP A CA  1 ? 
ATOM   388  C  C   . ASP A 1 53  ? 10.429  -25.656 1.636   1.000 4.183  0 53  ASP A C   1 ? 
ATOM   389  O  O   . ASP A 1 53  ? 10.015  -24.710 2.311   1.000 4.286  0 53  ASP A O   1 ? 
ATOM   390  C  CB  . ASP A 1 53  ? 10.518  -28.235 1.816   1.000 4.335  0 53  ASP A CB  1 ? 
ATOM   391  C  CG  . ASP A 1 53  ? 11.251  -28.248 3.149   1.000 4.553  0 53  ASP A CG  1 ? 
ATOM   392  O  OD1 . ASP A 1 53  ? 10.606  -27.983 4.195   1.000 4.588  0 53  ASP A OD1 1 ? 
ATOM   393  O  OD2 . ASP A 1 53  ? 12.453  -28.562 3.190   1.000 5.025  0 53  ASP A OD2 1 ? 
ATOM   394  N  N   . ASN A 1 54  ? 11.475  -25.579 0.831   1.000 3.946  0 54  ASN A N   1 ? 
ATOM   395  C  CA  . ASN A 1 54  ? 12.167  -24.324 0.681   1.000 4.437  0 54  ASN A CA  1 ? 
ATOM   396  C  C   . ASN A 1 54  ? 11.322  -23.435 -0.215  1.000 4.369  0 54  ASN A C   1 ? 
ATOM   397  O  O   . ASN A 1 54  ? 11.199  -23.731 -1.405  1.000 4.528  0 54  ASN A O   1 ? 
ATOM   398  C  CB  . ASN A 1 54  ? 13.574  -24.615 0.176   1.000 4.452  0 54  ASN A CB  1 ? 
ATOM   399  C  CG  . ASN A 1 54  ? 14.448  -23.390 0.198   1.000 4.740  0 54  ASN A CG  1 ? 
ATOM   400  O  OD1 . ASN A 1 54  ? 14.002  -22.267 -0.046  1.000 4.564  0 54  ASN A OD1 1 ? 
ATOM   401  N  ND2 . ASN A 1 54  ? 15.667  -23.564 0.678   1.000 5.003  0 54  ASN A ND2 1 ? 
ATOM   402  N  N   . ILE A 1 55  ? 10.853  -22.304 0.335   1.000 4.033  0 55  ILE A N   1 ? 
ATOM   403  C  CA  . ILE A 1 55  ? 9.960   -21.390 -0.379  1.000 4.000  0 55  ILE A CA  1 ? 
ATOM   404  C  C   . ILE A 1 55  ? 10.747  -20.521 -1.358  1.000 3.989  0 55  ILE A C   1 ? 
ATOM   405  O  O   . ILE A 1 55  ? 10.131  -19.838 -2.164  1.000 3.853  0 55  ILE A O   1 ? 
ATOM   406  C  CB  . ILE A 1 55  ? 9.070   -20.549 0.546   1.000 4.177  0 55  ILE A CB  1 ? 
ATOM   407  C  CG1 . ILE A 1 55  ? 9.862   -19.863 1.656   1.000 4.407  0 55  ILE A CG1 1 ? 
ATOM   408  C  CG2 . ILE A 1 55  ? 7.937   -21.431 1.044   1.000 4.227  0 55  ILE A CG2 1 ? 
ATOM   409  C  CD1 . ILE A 1 55  ? 9.143   -18.695 2.299   1.000 4.606  0 55  ILE A CD1 1 ? 
ATOM   410  N  N   . ASN A 1 56  ? 12.084  -20.664 -1.377  1.000 4.152  0 56  ASN A N   1 ? 
ATOM   411  C  CA  . ASN A 1 56  ? 12.905  -19.875 -2.270  1.000 4.593  0 56  ASN A CA  1 ? 
ATOM   412  C  C   . ASN A 1 56  ? 13.599  -20.736 -3.318  1.000 4.775  0 56  ASN A C   1 ? 
ATOM   413  O  O   . ASN A 1 56  ? 14.364  -20.196 -4.103  1.000 4.867  0 56  ASN A O   1 ? 
ATOM   414  C  CB  . ASN A 1 56  ? 13.944  -19.075 -1.491  1.000 4.929  0 56  ASN A CB  1 ? 
ATOM   415  C  CG  . ASN A 1 56  ? 13.395  -17.782 -0.971  1.000 5.626  0 56  ASN A CG  1 ? 
ATOM   416  O  OD1 . ASN A 1 56  ? 12.613  -17.109 -1.663  1.000 5.276  0 56  ASN A OD1 1 ? 
ATOM   417  N  ND2 . ASN A 1 56  ? 13.747  -17.434 0.261   1.000 7.176  0 56  ASN A ND2 1 ? 
ATOM   418  N  N   . VAL A 1 57  ? 13.375  -22.063 -3.320  1.000 4.929  0 57  VAL A N   1 ? 
ATOM   419  C  CA  . VAL A 1 57  ? 13.972  -22.953 -4.316  1.000 5.232  0 57  VAL A CA  1 ? 
ATOM   420  C  C   . VAL A 1 57  ? 12.880  -23.858 -4.880  1.000 5.378  0 57  VAL A C   1 ? 
ATOM   421  O  O   . VAL A 1 57  ? 12.085  -24.417 -4.121  1.000 6.206  0 57  VAL A O   1 ? 
ATOM   422  C  CB  . VAL A 1 57  ? 15.068  -23.774 -3.626  1.000 5.248  0 57  VAL A CB  1 ? 
ATOM   423  C  CG1 . VAL A 1 57  ? 15.717  -24.772 -4.606  1.000 5.440  0 57  VAL A CG1 1 ? 
ATOM   424  C  CG2 . VAL A 1 57  ? 16.099  -22.840 -3.016  1.000 5.147  0 57  VAL A CG2 1 ? 
ATOM   425  N  N   . VAL A 1 58  ? 12.859  -24.068 -6.191  1.000 5.641  0 58  VAL A N   1 ? 
ATOM   426  C  CA  . VAL A 1 58  ? 11.978  -25.087 -6.782  1.000 6.277  0 58  VAL A CA  1 ? 
ATOM   427  C  C   . VAL A 1 58  ? 12.631  -26.461 -6.632  1.000 7.461  0 58  VAL A C   1 ? 
ATOM   428  O  O   . VAL A 1 58  ? 13.724  -26.689 -7.178  1.000 7.636  0 58  VAL A O   1 ? 
ATOM   429  C  CB  . VAL A 1 58  ? 11.696  -24.796 -8.262  1.000 6.785  0 58  VAL A CB  1 ? 
ATOM   430  C  CG1 . VAL A 1 58  ? 10.849  -25.912 -8.871  1.000 6.925  0 58  VAL A CG1 1 ? 
ATOM   431  C  CG2 . VAL A 1 58  ? 11.040  -23.435 -8.446  1.000 6.476  0 58  VAL A CG2 1 ? 
ATOM   432  N  N   . GLU A 1 59  ? 12.009  -27.336 -5.818  1.000 6.860  0 59  GLU A N   1 ? 
ATOM   433  C  CA  . GLU A 1 59  ? 12.599  -28.592 -5.396  1.000 7.335  0 59  GLU A CA  1 ? 
ATOM   434  C  C   . GLU A 1 59  ? 11.914  -29.777 -6.056  1.000 8.001  0 59  GLU A C   1 ? 
ATOM   435  O  O   . GLU A 1 59  ? 12.430  -30.886 -5.935  1.000 9.457  0 59  GLU A O   1 ? 
ATOM   436  C  CB  . GLU A 1 59  ? 12.667  -28.745 -3.877  1.000 7.683  0 59  GLU A CB  1 ? 
ATOM   437  C  CG  . GLU A 1 59  ? 13.462  -27.644 -3.181  1.000 7.898  0 59  GLU A CG  1 ? 
ATOM   438  C  CD  . GLU A 1 59  ? 13.510  -27.713 -1.663  1.000 8.194  0 59  GLU A CD  1 ? 
ATOM   439  O  OE1 . GLU A 1 59  ? 12.386  -27.523 -1.095  1.000 6.443  0 59  GLU A OE1 1 ? 
ATOM   440  O  OE2 . GLU A 1 59  ? 14.565  -27.973 -1.007  1.000 8.771  0 59  GLU A OE2 1 ? 
ATOM   441  N  N   . GLY A 1 60  ? 10.743  -29.589 -6.665  1.000 7.293  0 60  GLY A N   1 ? 
ATOM   442  C  CA  . GLY A 1 60  ? 10.197  -30.620 -7.530  1.000 7.721  0 60  GLY A CA  1 ? 
ATOM   443  C  C   . GLY A 1 60  ? 8.839   -31.168 -7.096  1.000 7.985  0 60  GLY A C   1 ? 
ATOM   444  O  O   . GLY A 1 60  ? 8.308   -32.028 -7.805  1.000 9.740  0 60  GLY A O   1 ? 
ATOM   445  N  N   . ASN A 1 61  ? 8.287   -30.757 -5.934  1.000 6.968  0 61  ASN A N   1 ? 
ATOM   446  C  CA  . ASN A 1 61  ? 6.993   -31.272 -5.502  1.000 7.789  0 61  ASN A CA  1 ? 
ATOM   447  C  C   . ASN A 1 61  ? 5.938   -30.172 -5.415  1.000 6.897  0 61  ASN A C   1 ? 
ATOM   448  O  O   . ASN A 1 61  ? 4.828   -30.412 -4.943  1.000 6.869  0 61  ASN A O   1 ? 
ATOM   449  C  CB  . ASN A 1 61  ? 7.105   -32.004 -4.175  1.000 8.454  0 61  ASN A CB  1 ? 
ATOM   450  C  CG  . ASN A 1 61  ? 7.910   -33.268 -4.326  1.000 9.711  0 61  ASN A CG  1 ? 
ATOM   451  O  OD1 . ASN A 1 61  ? 7.488   -34.171 -5.063  1.000 11.671 0 61  ASN A OD1 1 ? 
ATOM   452  N  ND2 . ASN A 1 61  ? 9.071   -33.340 -3.700  1.000 10.889 0 61  ASN A ND2 1 ? 
ATOM   453  N  N   . GLU A 1 62  ? 6.263   -28.968 -5.861  1.000 6.074  0 62  GLU A N   1 ? 
ATOM   454  C  CA  . GLU A 1 62  ? 5.342   -27.853 -5.731  1.000 5.758  0 62  GLU A CA  1 ? 
ATOM   455  C  C   . GLU A 1 62  ? 4.160   -27.985 -6.697  1.000 5.950  0 62  GLU A C   1 ? 
ATOM   456  O  O   . GLU A 1 62  ? 4.325   -28.417 -7.841  1.000 6.545  0 62  GLU A O   1 ? 
ATOM   457  C  CB  . GLU A 1 62  ? 6.017   -26.514 -5.997  1.000 5.474  0 62  GLU A CB  1 ? 
ATOM   458  C  CG  . GLU A 1 62  ? 7.202   -26.179 -5.080  1.000 5.111  0 62  GLU A CG  1 ? 
ATOM   459  C  CD  . GLU A 1 62  ? 8.558   -26.683 -5.539  1.000 4.959  0 62  GLU A CD  1 ? 
ATOM   460  O  OE1 . GLU A 1 62  ? 8.678   -27.485 -6.498  1.000 4.670  0 62  GLU A OE1 1 ? 
ATOM   461  O  OE2 . GLU A 1 62  ? 9.543   -26.232 -4.859  1.000 4.483  0 62  GLU A OE2 1 ? 
ATOM   462  N  N   . GLN A 1 63  ? 3.032   -27.414 -6.272  1.000 5.772  0 63  GLN A N   1 ? 
ATOM   463  C  CA  . GLN A 1 63  ? 1.952   -27.026 -7.163  1.000 5.938  0 63  GLN A CA  1 ? 
ATOM   464  C  C   . GLN A 1 63  ? 1.579   -25.593 -6.845  1.000 6.194  0 63  GLN A C   1 ? 
ATOM   465  O  O   . GLN A 1 63  ? 1.254   -25.286 -5.708  1.000 6.486  0 63  GLN A O   1 ? 
ATOM   466  C  CB  . GLN A 1 63  ? 0.758   -27.949 -6.975  1.000 6.672  0 63  GLN A CB  1 ? 
ATOM   467  C  CG  . GLN A 1 63  ? 1.055   -29.391 -7.337  1.000 7.220  0 63  GLN A CG  1 ? 
ATOM   468  C  CD  . GLN A 1 63  ? -0.108  -30.322 -7.065  1.000 7.426  0 63  GLN A CD  1 ? 
ATOM   469  O  OE1 . GLN A 1 63  ? -1.247  -30.034 -7.455  1.000 8.221  0 63  GLN A OE1 1 ? 
ATOM   470  N  NE2 . GLN A 1 63  ? 0.166   -31.432 -6.399  1.000 7.654  0 63  GLN A NE2 1 ? 
ATOM   471  N  N   . PHE A 1 64  ? 1.635   -24.721 -7.858  1.000 6.132  0 64  PHE A N   1 ? 
ATOM   472  C  CA  . PHE A 1 64  ? 1.299   -23.315 -7.709  1.000 6.294  0 64  PHE A CA  1 ? 
ATOM   473  C  C   . PHE A 1 64  ? -0.048  -23.102 -8.396  1.000 6.718  0 64  PHE A C   1 ? 
ATOM   474  O  O   . PHE A 1 64  ? -0.180  -23.399 -9.586  1.000 8.151  0 64  PHE A O   1 ? 
ATOM   475  C  CB  . PHE A 1 64  ? 2.335   -22.399 -8.360  1.000 6.669  0 64  PHE A CB  1 ? 
ATOM   476  C  CG  . PHE A 1 64  ? 3.757   -22.439 -7.819  1.000 6.890  0 64  PHE A CG  1 ? 
ATOM   477  C  CD1 . PHE A 1 64  ? 4.083   -23.075 -6.637  1.000 7.145  0 64  PHE A CD1 1 ? 
ATOM   478  C  CD2 . PHE A 1 64  ? 4.759   -21.703 -8.460  1.000 7.502  0 64  PHE A CD2 1 ? 
ATOM   479  C  CE1 . PHE A 1 64  ? 5.378   -23.047 -6.143  1.000 6.960  0 64  PHE A CE1 1 ? 
ATOM   480  C  CE2 . PHE A 1 64  ? 6.047   -21.687 -7.967  1.000 7.835  0 64  PHE A CE2 1 ? 
ATOM   481  C  CZ  . PHE A 1 64  ? 6.353   -22.361 -6.814  1.000 7.632  0 64  PHE A CZ  1 ? 
ATOM   482  N  N   . ILE A 1 65  ? -1.053  -22.643 -7.640  1.000 6.086  0 65  ILE A N   1 ? 
ATOM   483  C  CA  . ILE A 1 65  ? -2.403  -22.514 -8.180  1.000 6.198  0 65  ILE A CA  1 ? 
ATOM   484  C  C   . ILE A 1 65  ? -2.983  -21.189 -7.697  1.000 6.368  0 65  ILE A C   1 ? 
ATOM   485  O  O   . ILE A 1 65  ? -3.020  -20.914 -6.484  1.000 6.278  0 65  ILE A O   1 ? 
ATOM   486  C  CB  . ILE A 1 65  ? -3.306  -23.687 -7.749  1.000 6.167  0 65  ILE A CB  1 ? 
ATOM   487  C  CG1 . ILE A 1 65  ? -2.724  -25.054 -8.080  1.000 6.367  0 65  ILE A CG1 1 ? 
ATOM   488  C  CG2 . ILE A 1 65  ? -4.713  -23.523 -8.347  1.000 6.137  0 65  ILE A CG2 1 ? 
ATOM   489  C  CD1 . ILE A 1 65  ? -3.464  -26.234 -7.494  1.000 6.830  0 65  ILE A CD1 1 ? 
ATOM   490  N  N   . SER A 1 66  ? -3.465  -20.365 -8.630  1.000 7.418  0 66  SER A N   1 ? 
ATOM   491  C  CA  . SER A 1 66  ? -4.115  -19.102 -8.284  1.000 8.441  0 66  SER A CA  1 ? 
ATOM   492  C  C   . SER A 1 66  ? -5.437  -19.301 -7.540  1.000 8.008  0 66  SER A C   1 ? 
ATOM   493  O  O   . SER A 1 66  ? -6.195  -20.217 -7.803  1.000 8.320  0 66  SER A O   1 ? 
ATOM   494  C  CB  . SER A 1 66  ? -4.366  -18.312 -9.506  1.000 10.120 0 66  SER A CB  1 ? 
ATOM   495  O  OG  . SER A 1 66  ? -3.148  -17.871 -10.072 1.000 12.368 0 66  SER A OG  1 ? 
ATOM   496  N  N   . ALA A 1 67  ? -5.732  -18.361 -6.645  1.000 8.261  0 67  ALA A N   1 ? 
ATOM   497  C  CA  . ALA A 1 67  ? -7.037  -18.314 -6.005  1.000 9.709  0 67  ALA A CA  1 ? 
ATOM   498  C  C   . ALA A 1 67  ? -8.076  -17.803 -6.999  1.000 9.975  0 67  ALA A C   1 ? 
ATOM   499  O  O   . ALA A 1 67  ? -7.838  -16.818 -7.710  1.000 10.631 0 67  ALA A O   1 ? 
ATOM   500  C  CB  . ALA A 1 67  ? -7.034  -17.437 -4.772  1.000 9.931  0 67  ALA A CB  1 ? 
ATOM   501  N  N   . SER A 1 68  ? -9.228  -18.480 -7.073  1.000 9.880  0 68  SER A N   1 ? 
ATOM   502  C  CA  . SER A 1 68  ? -10.344 -17.972 -7.861  1.000 10.875 0 68  SER A CA  1 ? 
ATOM   503  C  C   . SER A 1 68  ? -11.312 -17.169 -6.996  1.000 9.799  0 68  SER A C   1 ? 
ATOM   504  O  O   . SER A 1 68  ? -11.968 -16.262 -7.480  1.000 9.700  0 68  SER A O   1 ? 
ATOM   505  C  CB  . SER A 1 68  ? -11.085 -19.073 -8.512  1.000 11.152 0 68  SER A CB  1 ? 
ATOM   506  O  OG  . SER A 1 68  ? -11.557 -19.967 -7.520  1.000 10.463 0 68  SER A OG  1 ? 
ATOM   507  N  N   . LYS A 1 69  ? -11.371 -17.449 -5.696  1.000 9.031  0 69  LYS A N   1 ? 
ATOM   508  C  CA  . LYS A 1 69  ? -12.275 -16.690 -4.835  1.000 9.728  0 69  LYS A CA  1 ? 
ATOM   509  C  C   . LYS A 1 69  ? -11.772 -16.752 -3.401  1.000 8.489  0 69  LYS A C   1 ? 
ATOM   510  O  O   . LYS A 1 69  ? -11.264 -17.767 -2.957  1.000 8.520  0 69  LYS A O   1 ? 
ATOM   511  C  CB  . LYS A 1 69  ? -13.677 -17.295 -5.013  1.000 11.505 0 69  LYS A CB  1 ? 
ATOM   512  C  CG  . LYS A 1 69  ? -14.763 -16.916 -4.031  1.000 15.037 0 69  LYS A CG  1 ? 
ATOM   513  C  CD  . LYS A 1 69  ? -16.072 -17.702 -4.126  1.000 15.936 0 69  LYS A CD  1 ? 
ATOM   514  C  CE  . LYS A 1 69  ? -16.940 -17.337 -5.288  1.000 17.398 0 69  LYS A CE  1 ? 
ATOM   515  N  NZ  . LYS A 1 69  ? -18.281 -17.933 -5.243  1.000 17.208 0 69  LYS A NZ  1 ? 
ATOM   516  N  N   . SER A 1 70  ? -11.918 -15.650 -2.674  1.000 6.916  0 70  SER A N   1 ? 
ATOM   517  C  CA  . SER A 1 70  ? -11.648 -15.644 -1.247  1.000 7.568  0 70  SER A CA  1 ? 
ATOM   518  C  C   . SER A 1 70  ? -12.945 -15.331 -0.518  1.000 5.860  0 70  SER A C   1 ? 
ATOM   519  O  O   . SER A 1 70  ? -13.727 -14.487 -0.981  1.000 5.689  0 70  SER A O   1 ? 
ATOM   520  C  CB  . SER A 1 70  ? -10.608 -14.650 -0.890  1.000 8.868  0 70  SER A CB  1 ? 
ATOM   521  O  OG  . SER A 1 70  ? -9.360  -15.104 -1.403  1.000 12.778 0 70  SER A OG  1 ? 
ATOM   522  N  N   . ILE A 1 71  ? -13.147 -15.970 0.636   1.000 5.128  0 71  ILE A N   1 ? 
ATOM   523  C  CA  . ILE A 1 71  ? -14.317 -15.717 1.456   1.000 4.682  0 71  ILE A CA  1 ? 
ATOM   524  C  C   . ILE A 1 71  ? -13.880 -15.531 2.900   1.000 4.286  0 71  ILE A C   1 ? 
ATOM   525  O  O   . ILE A 1 71  ? -13.639 -16.507 3.574   1.000 4.299  0 71  ILE A O   1 ? 
ATOM   526  C  CB  . ILE A 1 71  ? -15.339 -16.857 1.377   1.000 4.999  0 71  ILE A CB  1 ? 
ATOM   527  C  CG1 . ILE A 1 71  ? -15.686 -17.197 -0.068  1.000 5.250  0 71  ILE A CG1 1 ? 
ATOM   528  C  CG2 . ILE A 1 71  ? -16.580 -16.505 2.222   1.000 4.945  0 71  ILE A CG2 1 ? 
ATOM   529  C  CD1 . ILE A 1 71  ? -16.577 -18.405 -0.247  1.000 5.660  0 71  ILE A CD1 1 ? 
ATOM   530  N  N   . VAL A 1 72  ? -13.872 -14.287 3.363   1.000 3.924  0 72  VAL A N   1 ? 
ATOM   531  C  CA  . VAL A 1 72  ? -13.620 -13.987 4.768   1.000 3.803  0 72  VAL A CA  1 ? 
ATOM   532  C  C   . VAL A 1 72  ? -14.894 -14.287 5.535   1.000 3.641  0 72  VAL A C   1 ? 
ATOM   533  O  O   . VAL A 1 72  ? -16.007 -14.054 5.055   1.000 3.405  0 72  VAL A O   1 ? 
ATOM   534  C  CB  . VAL A 1 72  ? -13.232 -12.501 4.862   1.000 4.030  0 72  VAL A CB  1 ? 
ATOM   535  C  CG1 . VAL A 1 72  ? -13.297 -11.967 6.288   1.000 4.010  0 72  VAL A CG1 1 ? 
ATOM   536  C  CG2 . VAL A 1 72  ? -11.861 -12.223 4.284   1.000 3.971  0 72  VAL A CG2 1 ? 
ATOM   537  N  N   . HIS A 1 73  ? -14.729 -14.795 6.739   1.000 3.371  0 73  HIS A N   1 ? 
ATOM   538  C  CA  . HIS A 1 73  ? -15.884 -15.125 7.560   1.000 3.654  0 73  HIS A CA  1 ? 
ATOM   539  C  C   . HIS A 1 73  ? -16.826 -13.922 7.646   1.000 3.820  0 73  HIS A C   1 ? 
ATOM   540  O  O   . HIS A 1 73  ? -16.370 -12.760 7.771   1.000 3.667  0 73  HIS A O   1 ? 
ATOM   541  C  CB  . HIS A 1 73  ? -15.453 -15.563 8.965   1.000 3.906  0 73  HIS A CB  1 ? 
ATOM   542  C  CG  . HIS A 1 73  ? -16.572 -16.143 9.740   1.000 4.364  0 73  HIS A CG  1 ? 
ATOM   543  N  ND1 . HIS A 1 73  ? -17.510 -15.482 10.518  1.000 4.776  0 73  HIS A ND1 1 ? 
ATOM   544  C  CD2 . HIS A 1 73  ? -16.874 -17.477 9.872   1.000 4.419  0 73  HIS A CD2 1 ? 
ATOM   545  C  CE1 . HIS A 1 73  ? -18.400 -16.356 10.971  1.000 4.872  0 73  HIS A CE1 1 ? 
ATOM   546  N  NE2 . HIS A 1 73  ? -18.006 -17.580 10.619  1.000 4.784  0 73  HIS A NE2 1 ? 
ATOM   547  N  N   . PRO A 1 74  ? -18.150 -14.172 7.562   1.000 4.077  0 74  PRO A N   1 ? 
ATOM   548  C  CA  . PRO A 1 74  ? -19.126 -13.099 7.620   1.000 4.273  0 74  PRO A CA  1 ? 
ATOM   549  C  C   . PRO A 1 74  ? -18.991 -12.183 8.832   1.000 4.109  0 74  PRO A C   1 ? 
ATOM   550  O  O   . PRO A 1 74  ? -19.221 -10.984 8.692   1.000 3.976  0 74  PRO A O   1 ? 
ATOM   551  C  CB  . PRO A 1 74  ? -20.503 -13.805 7.661   1.000 4.554  0 74  PRO A CB  1 ? 
ATOM   552  C  CG  . PRO A 1 74  ? -20.154 -15.192 7.947   1.000 4.692  0 74  PRO A CG  1 ? 
ATOM   553  C  CD  . PRO A 1 74  ? -18.805 -15.461 7.310   1.000 4.179  0 74  PRO A CD  1 ? 
ATOM   554  N  N   . SER A 1 75  ? -18.555 -12.711 9.975   1.000 4.126  0 75  SER A N   1 ? 
ATOM   555  C  CA  . SER A 1 75  ? -18.473 -11.959 11.225  1.000 4.628  0 75  SER A CA  1 ? 
ATOM   556  C  C   . SER A 1 75  ? -17.051 -11.613 11.654  1.000 4.374  0 75  SER A C   1 ? 
ATOM   557  O  O   . SER A 1 75  ? -16.843 -11.263 12.829  1.000 4.217  0 75  SER A O   1 ? 
ATOM   558  C  CB  . SER A 1 75  ? -19.178 -12.743 12.302  1.000 5.466  0 75  SER A CB  1 ? 
ATOM   559  O  OG  . SER A 1 75  ? -20.551 -12.926 11.966  1.000 6.532  0 75  SER A OG  1 ? 
ATOM   560  N  N   . TYR A 1 76  ? -16.086 -11.693 10.742  1.000 4.008  0 76  TYR A N   1 ? 
ATOM   561  C  CA  . TYR A 1 76  ? -14.720 -11.323 11.078  1.000 3.930  0 76  TYR A CA  1 ? 
ATOM   562  C  C   . TYR A 1 76  ? -14.680 -9.868  11.543  1.000 4.203  0 76  TYR A C   1 ? 
ATOM   563  O  O   . TYR A 1 76  ? -15.192 -8.991  10.877  1.000 4.300  0 76  TYR A O   1 ? 
ATOM   564  C  CB  . TYR A 1 76  ? -13.797 -11.503 9.868   1.000 3.763  0 76  TYR A CB  1 ? 
ATOM   565  C  CG  . TYR A 1 76  ? -12.385 -10.957 10.042  1.000 3.685  0 76  TYR A CG  1 ? 
ATOM   566  C  CD1 . TYR A 1 76  ? -11.609 -11.398 11.092  1.000 3.661  0 76  TYR A CD1 1 ? 
ATOM   567  C  CD2 . TYR A 1 76  ? -11.872 -9.963  9.219   1.000 3.654  0 76  TYR A CD2 1 ? 
ATOM   568  C  CE1 . TYR A 1 76  ? -10.333 -10.929 11.278  1.000 3.767  0 76  TYR A CE1 1 ? 
ATOM   569  C  CE2 . TYR A 1 76  ? -10.576 -9.515  9.356   1.000 3.648  0 76  TYR A CE2 1 ? 
ATOM   570  C  CZ  . TYR A 1 76  ? -9.815  -9.974  10.427  1.000 3.662  0 76  TYR A CZ  1 ? 
ATOM   571  O  OH  . TYR A 1 76  ? -8.529  -9.545  10.689  1.000 3.894  0 76  TYR A OH  1 ? 
ATOM   572  N  N   . ASN A 1 77  ? -13.989 -9.635  12.658  1.000 4.296  0 77  ASN A N   1 ? 
ATOM   573  C  CA  . ASN A 1 77  ? -13.728 -8.311  13.164  1.000 4.834  0 77  ASN A CA  1 ? 
ATOM   574  C  C   . ASN A 1 77  ? -12.225 -8.104  13.298  1.000 4.393  0 77  ASN A C   1 ? 
ATOM   575  O  O   . ASN A 1 77  ? -11.556 -8.785  14.085  1.000 4.435  0 77  ASN A O   1 ? 
ATOM   576  C  CB  . ASN A 1 77  ? -14.339 -8.158  14.548  1.000 5.192  0 77  ASN A CB  1 ? 
ATOM   577  C  CG  . ASN A 1 77  ? -14.180 -6.762  15.112  1.000 5.825  0 77  ASN A CG  1 ? 
ATOM   578  O  OD1 . ASN A 1 77  ? -13.062 -6.257  15.189  1.000 6.133  0 77  ASN A OD1 1 ? 
ATOM   579  N  ND2 . ASN A 1 77  ? -15.263 -6.101  15.502  1.000 6.620  0 77  ASN A ND2 1 ? 
ATOM   580  N  N   . SER A 1 78  ? -11.694 -7.218  12.449  1.000 4.532  0 78  SER A N   1 ? 
ATOM   581  C  CA  . SER A 1 78  ? -10.264 -7.023  12.362  1.000 5.041  0 78  SER A CA  1 ? 
ATOM   582  C  C   . SER A 1 78  ? -9.693  -6.275  13.566  1.000 5.067  0 78  SER A C   1 ? 
ATOM   583  O  O   . SER A 1 78  ? -8.468  -6.307  13.740  1.000 5.690  0 78  SER A O   1 ? 
ATOM   584  C  CB  . SER A 1 78  ? -9.950  -6.331  11.075  1.000 5.460  0 78  SER A CB  1 ? 
ATOM   585  O  OG  . SER A 1 78  ? -10.547 -5.050  11.051  1.000 6.623  0 78  SER A OG  1 ? 
ATOM   586  N  N   . ASN A 1 79  ? -10.528 -5.582  14.344  1.000 4.908  0 79  ASN A N   1 ? 
ATOM   587  C  CA  . ASN A 1 79  ? -10.043 -4.967  15.581  1.000 5.480  0 79  ASN A CA  1 ? 
ATOM   588  C  C   . ASN A 1 79  ? -9.824  -5.981  16.694  1.000 5.485  0 79  ASN A C   1 ? 
ATOM   589  O  O   . ASN A 1 79  ? -8.804  -5.929  17.352  1.000 7.468  0 79  ASN A O   1 ? 
ATOM   590  C  CB  . ASN A 1 79  ? -10.956 -3.849  16.056  1.000 5.661  0 79  ASN A CB  1 ? 
ATOM   591  C  CG  . ASN A 1 79  ? -11.003 -2.728  15.059  1.000 6.105  0 79  ASN A CG  1 ? 
ATOM   592  O  OD1 . ASN A 1 79  ? -9.984  -2.432  14.446  1.000 6.229  0 79  ASN A OD1 1 ? 
ATOM   593  N  ND2 . ASN A 1 79  ? -12.180 -2.175  14.837  1.000 6.998  0 79  ASN A ND2 1 ? 
ATOM   594  N  N   . THR A 1 80  ? -10.744 -6.939  16.896  1.000 5.010  0 80  THR A N   1 ? 
ATOM   595  C  CA  . THR A 1 80  ? -10.646 -7.899  17.989  1.000 5.050  0 80  THR A CA  1 ? 
ATOM   596  C  C   . THR A 1 80  ? -10.059 -9.235  17.539  1.000 5.122  0 80  THR A C   1 ? 
ATOM   597  O  O   . THR A 1 80  ? -9.708  -10.072 18.379  1.000 5.374  0 80  THR A O   1 ? 
ATOM   598  C  CB  . THR A 1 80  ? -12.031 -8.135  18.561  1.000 4.985  0 80  THR A CB  1 ? 
ATOM   599  O  OG1 . THR A 1 80  ? -12.821 -8.747  17.545  1.000 5.086  0 80  THR A OG1 1 ? 
ATOM   600  C  CG2 . THR A 1 80  ? -12.683 -6.871  19.093  1.000 5.051  0 80  THR A CG2 1 ? 
ATOM   601  N  N   . LEU A 1 81  ? -10.040 -9.429  16.219  1.000 5.147  0 81  LEU A N   1 ? 
ATOM   602  C  CA  . LEU A 1 81  ? -9.656  -10.662 15.539  1.000 4.887  0 81  LEU A CA  1 ? 
ATOM   603  C  C   . LEU A 1 81  ? -10.598 -11.823 15.864  1.000 4.346  0 81  LEU A C   1 ? 
ATOM   604  O  O   . LEU A 1 81  ? -10.290 -12.989 15.650  1.000 4.069  0 81  LEU A O   1 ? 
ATOM   605  C  CB  . LEU A 1 81  ? -8.205  -11.068 15.786  1.000 5.511  0 81  LEU A CB  1 ? 
ATOM   606  C  CG  . LEU A 1 81  ? -7.161  -10.055 15.312  1.000 6.180  0 81  LEU A CG  1 ? 
ATOM   607  C  CD1 . LEU A 1 81  ? -5.789  -10.604 15.513  1.000 6.671  0 81  LEU A CD1 1 ? 
ATOM   608  C  CD2 . LEU A 1 81  ? -7.362  -9.682  13.865  1.000 6.955  0 81  LEU A CD2 1 ? 
ATOM   609  N  N   . ASN A 1 82  ? -11.807 -11.511 16.331  1.000 4.071  0 82  ASN A N   1 ? 
ATOM   610  C  CA  . ASN A 1 82  ? -12.836 -12.520 16.503  1.000 4.138  0 82  ASN A CA  1 ? 
ATOM   611  C  C   . ASN A 1 82  ? -13.247 -13.025 15.119  1.000 4.025  0 82  ASN A C   1 ? 
ATOM   612  O  O   . ASN A 1 82  ? -13.400 -12.224 14.197  1.000 3.934  0 82  ASN A O   1 ? 
ATOM   613  C  CB  . ASN A 1 82  ? -14.065 -11.926 17.182  1.000 4.148  0 82  ASN A CB  1 ? 
ATOM   614  C  CG  . ASN A 1 82  ? -14.961 -13.013 17.733  1.000 4.467  0 82  ASN A CG  1 ? 
ATOM   615  O  OD1 . ASN A 1 82  ? -14.484 -14.102 18.101  1.000 4.083  0 82  ASN A OD1 1 ? 
ATOM   616  N  ND2 . ASN A 1 82  ? -16.241 -12.710 17.900  1.000 5.347  0 82  ASN A ND2 1 ? 
ATOM   617  N  N   . ASN A 1 83  ? -13.353 -14.359 14.999  1.000 3.643  0 83  ASN A N   1 ? 
ATOM   618  C  CA  . ASN A 1 83  ? -13.715 -15.046 13.762  1.000 3.587  0 83  ASN A CA  1 ? 
ATOM   619  C  C   . ASN A 1 83  ? -12.611 -14.860 12.717  1.000 3.454  0 83  ASN A C   1 ? 
ATOM   620  O  O   . ASN A 1 83  ? -12.890 -14.547 11.544  1.000 3.605  0 83  ASN A O   1 ? 
ATOM   621  C  CB  . ASN A 1 83  ? -15.074 -14.610 13.209  1.000 3.766  0 83  ASN A CB  1 ? 
ATOM   622  C  CG  . ASN A 1 83  ? -16.209 -14.712 14.196  1.000 4.115  0 83  ASN A CG  1 ? 
ATOM   623  O  OD1 . ASN A 1 83  ? -16.585 -15.809 14.631  1.000 4.587  0 83  ASN A OD1 1 ? 
ATOM   624  N  ND2 . ASN A 1 83  ? -16.699 -13.564 14.637  1.000 4.832  0 83  ASN A ND2 1 ? 
ATOM   625  N  N   . ASP A 1 84  ? -11.361 -15.135 13.128  1.000 3.502  0 84  ASP A N   1 ? 
ATOM   626  C  CA  . ASP A 1 84  ? -10.206 -14.935 12.263  1.000 3.348  0 84  ASP A CA  1 ? 
ATOM   627  C  C   . ASP A 1 84  ? -10.015 -16.155 11.368  1.000 3.211  0 84  ASP A C   1 ? 
ATOM   628  O  O   . ASP A 1 84  ? -9.121  -16.987 11.517  1.000 2.963  0 84  ASP A O   1 ? 
ATOM   629  C  CB  . ASP A 1 84  ? -8.943  -14.571 13.029  1.000 3.269  0 84  ASP A CB  1 ? 
ATOM   630  C  CG  . ASP A 1 84  ? -7.784  -14.096 12.162  1.000 3.152  0 84  ASP A CG  1 ? 
ATOM   631  O  OD1 . ASP A 1 84  ? -8.029  -13.740 10.986  1.000 3.056  0 84  ASP A OD1 1 ? 
ATOM   632  O  OD2 . ASP A 1 84  ? -6.639  -13.986 12.692  1.000 3.071  0 84  ASP A OD2 1 ? 
ATOM   633  N  N   . ILE A 1 85  ? -10.861 -16.223 10.344  1.000 3.383  0 85  ILE A N   1 ? 
ATOM   634  C  CA  . ILE A 1 85  ? -10.849 -17.374 9.466   1.000 3.692  0 85  ILE A CA  1 ? 
ATOM   635  C  C   . ILE A 1 85  ? -11.345 -16.955 8.091   1.000 3.694  0 85  ILE A C   1 ? 
ATOM   636  O  O   . ILE A 1 85  ? -12.257 -16.132 7.964   1.000 3.520  0 85  ILE A O   1 ? 
ATOM   637  C  CB  . ILE A 1 85  ? -11.688 -18.532 10.027  1.000 4.142  0 85  ILE A CB  1 ? 
ATOM   638  C  CG1 . ILE A 1 85  ? -11.554 -19.815 9.200   1.000 4.127  0 85  ILE A CG1 1 ? 
ATOM   639  C  CG2 . ILE A 1 85  ? -13.149 -18.140 10.233  1.000 4.113  0 85  ILE A CG2 1 ? 
ATOM   640  C  CD1 . ILE A 1 85  ? -12.239 -21.018 9.858   1.000 4.439  0 85  ILE A CD1 1 ? 
ATOM   641  N  N   . MET A 1 86  ? -10.753 -17.559 7.060   1.000 3.980  0 86  MET A N   1 ? 
ATOM   642  C  CA  . MET A 1 86  ? -11.156 -17.291 5.684   1.000 4.737  0 86  MET A CA  1 ? 
ATOM   643  C  C   . MET A 1 86  ? -10.941 -18.551 4.857   1.000 4.076  0 86  MET A C   1 ? 
ATOM   644  O  O   . MET A 1 86  ? -10.103 -19.360 5.209   1.000 3.883  0 86  MET A O   1 ? 
ATOM   645  C  CB  . MET A 1 86  ? -10.377 -16.142 5.030   1.000 6.232  0 86  MET A CB  1 ? 
ATOM   646  C  CG  . MET A 1 86  ? -8.946  -16.397 4.697   1.000 8.362  0 86  MET A CG  1 ? 
ATOM   647  S  SD  . MET A 1 86  ? -8.180  -15.026 3.796   1.000 13.612 0 86  MET A SD  1 ? 
ATOM   648  C  CE  . MET A 1 86  ? -9.337  -14.549 2.576   1.000 12.983 0 86  MET A CE  1 ? 
ATOM   649  N  N   . LEU A 1 87  ? -11.731 -18.725 3.811   1.000 3.808  0 87  LEU A N   1 ? 
ATOM   650  C  CA  . LEU A 1 87  ? -11.648 -19.811 2.847   1.000 4.025  0 87  LEU A CA  1 ? 
ATOM   651  C  C   . LEU A 1 87  ? -11.163 -19.271 1.507   1.000 4.063  0 87  LEU A C   1 ? 
ATOM   652  O  O   . LEU A 1 87  ? -11.528 -18.162 1.102   1.000 4.556  0 87  LEU A O   1 ? 
ATOM   653  C  CB  . LEU A 1 87  ? -12.998 -20.512 2.659   1.000 4.065  0 87  LEU A CB  1 ? 
ATOM   654  C  CG  . LEU A 1 87  ? -13.442 -21.414 3.809   1.000 4.334  0 87  LEU A CG  1 ? 
ATOM   655  C  CD1 . LEU A 1 87  ? -14.920 -21.741 3.602   1.000 4.542  0 87  LEU A CD1 1 ? 
ATOM   656  C  CD2 . LEU A 1 87  ? -12.586 -22.671 3.807   1.000 4.773  0 87  LEU A CD2 1 ? 
ATOM   657  N  N   . ILE A 1 88  ? -10.293 -20.042 0.850   1.000 4.197  0 88  ILE A N   1 ? 
ATOM   658  C  CA  . ILE A 1 88  ? -9.779  -19.699 -0.463  1.000 4.881  0 88  ILE A CA  1 ? 
ATOM   659  C  C   . ILE A 1 88  ? -10.085 -20.856 -1.395  1.000 5.094  0 88  ILE A C   1 ? 
ATOM   660  O  O   . ILE A 1 88  ? -9.665  -21.990 -1.120  1.000 5.004  0 88  ILE A O   1 ? 
ATOM   661  C  CB  . ILE A 1 88  ? -8.273  -19.424 -0.426  1.000 5.229  0 88  ILE A CB  1 ? 
ATOM   662  C  CG1 . ILE A 1 88  ? -7.942  -18.283 0.565   1.000 5.305  0 88  ILE A CG1 1 ? 
ATOM   663  C  CG2 . ILE A 1 88  ? -7.766  -19.167 -1.854  1.000 5.765  0 88  ILE A CG2 1 ? 
ATOM   664  C  CD1 . ILE A 1 88  ? -6.460  -18.151 0.835   1.000 5.984  0 88  ILE A CD1 1 ? 
ATOM   665  N  N   . LYS A 1 89  ? -10.763 -20.566 -2.514  1.000 5.902  0 89  LYS A N   1 ? 
ATOM   666  C  CA  . LYS A 1 89  ? -10.947 -21.615 -3.509  1.000 6.635  0 89  LYS A CA  1 ? 
ATOM   667  C  C   . LYS A 1 89  ? -9.867  -21.483 -4.587  1.000 6.979  0 89  LYS A C   1 ? 
ATOM   668  O  O   . LYS A 1 89  ? -9.509  -20.366 -5.027  1.000 7.181  0 89  LYS A O   1 ? 
ATOM   669  C  CB  . LYS A 1 89  ? -12.368 -21.537 -4.084  1.000 6.586  0 89  LYS A CB  1 ? 
ATOM   670  C  CG  . LYS A 1 89  ? -12.775 -22.668 -5.051  1.000 7.374  0 89  LYS A CG  1 ? 
ATOM   671  C  CD  . LYS A 1 89  ? -14.126 -22.572 -5.743  1.000 8.631  0 89  LYS A CD  1 ? 
ATOM   672  C  CE  . LYS A 1 89  ? -14.415 -23.850 -6.515  1.000 9.319  0 89  LYS A CE  1 ? 
ATOM   673  N  NZ  . LYS A 1 89  ? -15.651 -23.745 -7.296  1.000 10.895 0 89  LYS A NZ  1 ? 
ATOM   674  N  N   . LEU A 1 90  ? -9.341  -22.641 -4.994  1.000 7.308  0 90  LEU A N   1 ? 
ATOM   675  C  CA  . LEU A 1 90  ? -8.318  -22.728 -6.029  1.000 7.927  0 90  LEU A CA  1 ? 
ATOM   676  C  C   . LEU A 1 90  ? -8.939  -22.719 -7.422  1.000 8.000  0 90  LEU A C   1 ? 
ATOM   677  O  O   . LEU A 1 90  ? -10.010 -23.282 -7.634  1.000 8.456  0 90  LEU A O   1 ? 
ATOM   678  C  CB  . LEU A 1 90  ? -7.521  -24.012 -5.821  1.000 7.392  0 90  LEU A CB  1 ? 
ATOM   679  C  CG  . LEU A 1 90  ? -6.819  -24.144 -4.472  1.000 7.998  0 90  LEU A CG  1 ? 
ATOM   680  C  CD1 . LEU A 1 90  ? -5.971  -25.396 -4.461  1.000 8.345  0 90  LEU A CD1 1 ? 
ATOM   681  C  CD2 . LEU A 1 90  ? -5.992  -22.938 -4.167  1.000 8.880  0 90  LEU A CD2 1 ? 
ATOM   682  N  N   . LYS A 1 91  ? -8.266  -22.074 -8.379  1.000 8.779  0 91  LYS A N   1 ? 
ATOM   683  C  CA  . LYS A 1 91  ? -8.778  -22.023 -9.749  1.000 10.583 0 91  LYS A CA  1 ? 
ATOM   684  C  C   . LYS A 1 91  ? -8.904  -23.414 -10.364 1.000 10.473 0 91  LYS A C   1 ? 
ATOM   685  O  O   . LYS A 1 91  ? -9.759  -23.627 -11.247 1.000 11.009 0 91  LYS A O   1 ? 
ATOM   686  C  CB  . LYS A 1 91  ? -7.861  -21.172 -10.635 1.000 14.451 0 91  LYS A CB  1 ? 
ATOM   687  C  CG  . LYS A 1 91  ? -8.134  -19.675 -10.608 1.000 19.517 0 91  LYS A CG  1 ? 
ATOM   688  C  CD  . LYS A 1 91  ? -7.351  -18.984 -11.726 1.000 24.995 0 91  LYS A CD  1 ? 
ATOM   689  C  CE  . LYS A 1 91  ? -7.143  -17.512 -11.519 1.000 30.073 0 91  LYS A CE  1 ? 
ATOM   690  N  NZ  . LYS A 1 91  ? -8.408  -16.786 -11.566 1.000 33.665 0 91  LYS A NZ  1 ? 
ATOM   691  N  N   . SER A 1 92  ? -8.017  -24.333 -9.954  1.000 9.379  0 92  SER A N   1 ? 
ATOM   692  C  CA  . SER A 1 92  ? -8.051  -25.709 -10.403 1.000 10.246 0 92  SER A CA  1 ? 
ATOM   693  C  C   . SER A 1 92  ? -7.821  -26.607 -9.195  1.000 9.186  0 92  SER A C   1 ? 
ATOM   694  O  O   . SER A 1 92  ? -7.206  -26.187 -8.227  1.000 8.664  0 92  SER A O   1 ? 
ATOM   695  C  CB  . SER A 1 92  ? -7.015  -25.979 -11.486 1.000 11.024 0 92  SER A CB  1 ? 
ATOM   696  O  OG  . SER A 1 92  ? -5.694  -25.719 -11.037 1.000 11.799 0 92  SER A OG  1 ? 
ATOM   697  N  N   . ALA A 1 93  ? -8.251  -27.863 -9.254  1.000 9.137  0 93  ALA A N   1 ? 
ATOM   698  C  CA  . ALA A 1 93  ? -8.028  -28.797 -8.169  1.000 8.673  0 93  ALA A CA  1 ? 
ATOM   699  C  C   . ALA A 1 93  ? -6.554  -29.175 -8.104  1.000 8.689  0 93  ALA A C   1 ? 
ATOM   700  O  O   . ALA A 1 93  ? -5.962  -29.496 -9.144  1.000 8.417  0 93  ALA A O   1 ? 
ATOM   701  C  CB  . ALA A 1 93  ? -8.876  -30.044 -8.392  1.000 8.748  0 93  ALA A CB  1 ? 
ATOM   702  N  N   . ALA A 1 94  ? -5.989  -29.159 -6.897  1.000 7.941  0 94  ALA A N   1 ? 
ATOM   703  C  CA  . ALA A 1 94  ? -4.700  -29.768 -6.644  1.000 8.623  0 94  ALA A CA  1 ? 
ATOM   704  C  C   . ALA A 1 94  ? -4.706  -31.256 -6.978  1.000 9.854  0 94  ALA A C   1 ? 
ATOM   705  O  O   . ALA A 1 94  ? -5.709  -31.949 -6.758  1.000 11.017 0 94  ALA A O   1 ? 
ATOM   706  C  CB  . ALA A 1 94  ? -4.303  -29.560 -5.186  1.000 8.554  0 94  ALA A CB  1 ? 
ATOM   707  N  N   . SER A 1 95  ? -3.533  -31.753 -7.427  1.000 9.495  0 95  SER A N   1 ? 
ATOM   708  C  CA  . SER A 1 95  ? -3.284  -33.190 -7.532  1.000 10.611 0 95  SER A CA  1 ? 
ATOM   709  C  C   . SER A 1 95  ? -2.797  -33.717 -6.193  1.000 10.621 0 95  SER A C   1 ? 
ATOM   710  O  O   . SER A 1 95  ? -1.679  -33.417 -5.762  1.000 9.850  0 95  SER A O   1 ? 
ATOM   711  C  CB  . SER A 1 95  ? -2.271  -33.533 -8.605  1.000 12.486 0 95  SER A CB  1 ? 
ATOM   712  O  OG  . SER A 1 95  ? -2.737  -33.029 -9.836  1.000 17.958 0 95  SER A OG  1 ? 
ATOM   713  N  N   . LEU A 1 96  ? -3.636  -34.517 -5.537  1.000 9.727  0 96  LEU A N   1 ? 
ATOM   714  C  CA  . LEU A 1 96  ? -3.343  -34.992 -4.199  1.000 10.955 0 96  LEU A CA  1 ? 
ATOM   715  C  C   . LEU A 1 96  ? -2.440  -36.211 -4.298  1.000 11.206 0 96  LEU A C   1 ? 
ATOM   716  O  O   . LEU A 1 96  ? -2.648  -37.102 -5.126  1.000 13.959 0 96  LEU A O   1 ? 
ATOM   717  C  CB  . LEU A 1 96  ? -4.604  -35.277 -3.398  1.000 11.468 0 96  LEU A CB  1 ? 
ATOM   718  C  CG  . LEU A 1 96  ? -5.588  -34.116 -3.227  1.000 11.379 0 96  LEU A CG  1 ? 
ATOM   719  C  CD1 . LEU A 1 96  ? -6.794  -34.550 -2.401  1.000 12.295 0 96  LEU A CD1 1 ? 
ATOM   720  C  CD2 . LEU A 1 96  ? -4.927  -32.938 -2.572  1.000 12.239 0 96  LEU A CD2 1 ? 
ATOM   721  N  N   . ASN A 1 97  ? -1.429  -36.218 -3.427  1.000 10.607 0 97  ASN A N   1 ? 
ATOM   722  C  CA  . ASN A 1 97  ? -0.409  -37.256 -3.384  1.000 9.939  0 97  ASN A CA  1 ? 
ATOM   723  C  C   . ASN A 1 97  ? 0.137   -37.297 -1.958  1.000 9.502  0 97  ASN A C   1 ? 
ATOM   724  O  O   . ASN A 1 97  ? -0.461  -36.716 -1.039  1.000 9.750  0 97  ASN A O   1 ? 
ATOM   725  C  CB  . ASN A 1 97  ? 0.588   -37.061 -4.526  1.000 10.153 0 97  ASN A CB  1 ? 
ATOM   726  C  CG  . ASN A 1 97  ? 1.224   -35.688 -4.521  1.000 11.300 0 97  ASN A CG  1 ? 
ATOM   727  O  OD1 . ASN A 1 97  ? 1.302   -34.975 -5.538  1.000 13.179 0 97  ASN A OD1 1 ? 
ATOM   728  N  ND2 . ASN A 1 97  ? 1.782   -35.358 -3.376  1.000 10.308 0 97  ASN A ND2 1 ? 
ATOM   729  N  N   . SER A 1 98  ? 1.212   -38.063 -1.739  1.000 9.350  0 98  SER A N   1 ? 
ATOM   730  C  CA  . SER A 1 98  ? 1.753   -38.224 -0.398  1.000 9.600  0 98  SER A CA  1 ? 
ATOM   731  C  C   . SER A 1 98  ? 2.330   -36.928 0.182   1.000 9.786  0 98  SER A C   1 ? 
ATOM   732  O  O   . SER A 1 98  ? 2.417   -36.801 1.404   1.000 10.868 0 98  SER A O   1 ? 
ATOM   733  C  CB  . SER A 1 98  ? 2.798   -39.290 -0.388  1.000 11.458 0 98  SER A CB  1 ? 
ATOM   734  O  OG  . SER A 1 98  ? 3.893   -38.937 -1.214  1.000 10.939 0 98  SER A OG  1 ? 
ATOM   735  N  N   . ARG A 1 99  ? 2.682   -35.972 -0.679  1.000 9.296  0 99  ARG A N   1 ? 
ATOM   736  C  CA  . ARG A 1 99  ? 3.313   -34.729 -0.251  1.000 9.383  0 99  ARG A CA  1 ? 
ATOM   737  C  C   . ARG A 1 99  ? 2.376   -33.526 -0.347  1.000 8.587  0 99  ARG A C   1 ? 
ATOM   738  O  O   . ARG A 1 99  ? 2.743   -32.433 0.096   1.000 8.411  0 99  ARG A O   1 ? 
ATOM   739  C  CB  . ARG A 1 99  ? 4.580   -34.541 -1.094  1.000 9.559  0 99  ARG A CB  1 ? 
ATOM   740  C  CG  . ARG A 1 99  ? 5.590   -35.673 -0.924  1.000 10.152 0 99  ARG A CG  1 ? 
ATOM   741  C  CD  . ARG A 1 99  ? 6.853   -35.397 -1.734  1.000 11.600 0 99  ARG A CD  1 ? 
ATOM   742  N  NE  . ARG A 1 99  ? 7.933   -36.352 -1.457  1.000 12.631 0 99  ARG A NE  1 ? 
ATOM   743  C  CZ  . ARG A 1 99  ? 7.957   -37.607 -1.845  1.000 14.604 0 99  ARG A CZ  1 ? 
ATOM   744  N  NH1 . ARG A 1 99  ? 7.028   -38.084 -2.669  1.000 16.081 0 99  ARG A NH1 1 ? 
ATOM   745  N  NH2 . ARG A 1 99  ? 8.964   -38.370 -1.432  1.000 16.216 0 99  ARG A NH2 1 ? 
ATOM   746  N  N   . VAL A 1 100 ? 1.216   -33.698 -1.006  1.000 7.688  0 100 VAL A N   1 ? 
ATOM   747  C  CA  . VAL A 1 100 ? 0.189   -32.674 -1.082  1.000 7.010  0 100 VAL A CA  1 ? 
ATOM   748  C  C   . VAL A 1 100 ? -1.108  -33.369 -0.721  1.000 7.165  0 100 VAL A C   1 ? 
ATOM   749  O  O   . VAL A 1 100 ? -1.633  -34.154 -1.514  1.000 6.959  0 100 VAL A O   1 ? 
ATOM   750  C  CB  . VAL A 1 100 ? 0.186   -32.037 -2.498  1.000 6.659  0 100 VAL A CB  1 ? 
ATOM   751  C  CG1 . VAL A 1 100 ? -0.959  -31.043 -2.682  1.000 6.855  0 100 VAL A CG1 1 ? 
ATOM   752  C  CG2 . VAL A 1 100 ? 1.534   -31.382 -2.804  1.000 6.839  0 100 VAL A CG2 1 ? 
ATOM   753  N  N   . ALA A 1 101 ? -1.596  -33.106 0.486   1.000 6.747  0 101 ALA A N   1 ? 
ATOM   754  C  CA  . ALA A 1 101 ? -2.704  -33.858 1.055   1.000 6.527  0 101 ALA A CA  1 ? 
ATOM   755  C  C   . ALA A 1 101 ? -3.572  -32.926 1.881   1.000 6.758  0 101 ALA A C   1 ? 
ATOM   756  O  O   . ALA A 1 101 ? -3.061  -31.969 2.442   1.000 6.777  0 101 ALA A O   1 ? 
ATOM   757  C  CB  . ALA A 1 101 ? -2.189  -34.993 1.902   1.000 6.171  0 101 ALA A CB  1 ? 
ATOM   758  N  N   . SER A 1 102 ? -4.858  -33.254 1.948   1.000 6.752  0 102 SER A N   1 ? 
ATOM   759  C  CA  . SER A 1 102 ? -5.783  -32.469 2.745   1.000 7.035  0 102 SER A CA  1 ? 
ATOM   760  C  C   . SER A 1 102 ? -5.665  -32.913 4.200   1.000 7.014  0 102 SER A C   1 ? 
ATOM   761  O  O   . SER A 1 102 ? -5.220  -34.039 4.451   1.000 8.213  0 102 SER A O   1 ? 
ATOM   762  C  CB  . SER A 1 102 ? -7.198  -32.602 2.237   1.000 7.807  0 102 SER A CB  1 ? 
ATOM   763  O  OG  . SER A 1 102 ? -7.564  -33.972 2.109   1.000 9.131  0 102 SER A OG  1 ? 
ATOM   764  N  N   . ILE A 1 103 ? -6.034  -32.018 5.118   1.000 6.255  0 103 ILE A N   1 ? 
ATOM   765  C  CA  . ILE A 1 103 ? -6.117  -32.309 6.541   1.000 6.577  0 103 ILE A CA  1 ? 
ATOM   766  C  C   . ILE A 1 103 ? -7.604  -32.371 6.891   1.000 6.581  0 103 ILE A C   1 ? 
ATOM   767  O  O   . ILE A 1 103 ? -8.405  -31.520 6.482   1.000 6.019  0 103 ILE A O   1 ? 
ATOM   768  C  CB  . ILE A 1 103 ? -5.306  -31.294 7.389   1.000 6.765  0 103 ILE A CB  1 ? 
ATOM   769  C  CG1 . ILE A 1 103 ? -5.319  -31.685 8.859   1.000 7.450  0 103 ILE A CG1 1 ? 
ATOM   770  C  CG2 . ILE A 1 103 ? -5.799  -29.864 7.177   1.000 7.145  0 103 ILE A CG2 1 ? 
ATOM   771  C  CD1 . ILE A 1 103 ? -4.517  -32.943 9.112   1.000 7.635  0 103 ILE A CD1 1 ? 
ATOM   772  N  N   . SER A 1 104 ? -7.958  -33.401 7.681   1.000 7.147  0 104 SER A N   1 ? 
ATOM   773  C  CA  . SER A 1 104 ? -9.297  -33.614 8.178   1.000 8.665  0 104 SER A CA  1 ? 
ATOM   774  C  C   . SER A 1 104 ? -9.778  -32.456 9.053   1.000 8.311  0 104 SER A C   1 ? 
ATOM   775  O  O   . SER A 1 104 ? -9.025  -31.932 9.872   1.000 7.793  0 104 SER A O   1 ? 
ATOM   776  C  CB  . SER A 1 104 ? -9.305  -34.878 8.977   1.000 10.264 0 104 SER A CB  1 ? 
ATOM   777  O  OG  . SER A 1 104 ? -9.259  -35.988 8.094   1.000 13.718 0 104 SER A OG  1 ? 
ATOM   778  N  N   . LEU A 1 105 ? -11.036 -32.069 8.855   1.000 7.975  0 105 LEU A N   1 ? 
ATOM   779  C  CA  . LEU A 1 105 ? -11.700 -31.127 9.742   1.000 8.895  0 105 LEU A CA  1 ? 
ATOM   780  C  C   . LEU A 1 105 ? -12.125 -31.844 11.023  1.000 8.953  0 105 LEU A C   1 ? 
ATOM   781  O  O   . LEU A 1 105 ? -12.342 -33.046 11.026  1.000 10.401 0 105 LEU A O   1 ? 
ATOM   782  C  CB  . LEU A 1 105 ? -12.891 -30.456 9.055   1.000 9.810  0 105 LEU A CB  1 ? 
ATOM   783  C  CG  . LEU A 1 105 ? -12.514 -29.494 7.914   1.000 11.572 0 105 LEU A CG  1 ? 
ATOM   784  C  CD1 . LEU A 1 105 ? -13.743 -29.020 7.212   1.000 13.474 0 105 LEU A CD1 1 ? 
ATOM   785  C  CD2 . LEU A 1 105 ? -11.690 -28.318 8.398   1.000 12.281 0 105 LEU A CD2 1 ? 
ATOM   786  N  N   . PRO A 1 106 ? -12.226 -31.143 12.166  1.000 8.415  0 106 PRO A N   1 ? 
ATOM   787  C  CA  . PRO A 1 106 ? -12.588 -31.813 13.412  1.000 9.383  0 106 PRO A CA  1 ? 
ATOM   788  C  C   . PRO A 1 106 ? -14.084 -32.133 13.379  1.000 10.505 0 106 PRO A C   1 ? 
ATOM   789  O  O   . PRO A 1 106 ? -14.839 -31.454 12.717  1.000 10.170 0 106 PRO A O   1 ? 
ATOM   790  C  CB  . PRO A 1 106 ? -12.225 -30.851 14.506  1.000 9.484  0 106 PRO A CB  1 ? 
ATOM   791  C  CG  . PRO A 1 106 ? -12.094 -29.513 13.847  1.000 9.252  0 106 PRO A CG  1 ? 
ATOM   792  C  CD  . PRO A 1 106 ? -11.929 -29.713 12.322  1.000 9.051  0 106 PRO A CD  1 ? 
ATOM   793  N  N   . THR A 1 107 ? -14.477 -33.185 14.089  1.000 13.748 0 107 THR A N   1 ? 
ATOM   794  C  CA  . THR A 1 107 ? -15.881 -33.483 14.342  1.000 16.832 0 107 THR A CA  1 ? 
ATOM   795  C  C   . THR A 1 107 ? -16.209 -33.076 15.773  1.000 18.376 0 107 THR A C   1 ? 
ATOM   796  O  O   . THR A 1 107 ? -17.369 -32.915 16.118  1.000 21.111 0 107 THR A O   1 ? 
ATOM   797  C  CB  . THR A 1 107 ? -16.210 -34.963 14.108  1.000 17.413 0 107 THR A CB  1 ? 
ATOM   798  O  OG1 . THR A 1 107 ? -15.359 -35.693 14.970  1.000 19.309 0 107 THR A OG1 1 ? 
ATOM   799  C  CG2 . THR A 1 107 ? -15.837 -35.452 12.734  1.000 18.362 0 107 THR A CG2 1 ? 
ATOM   800  N  N   . SER A 1 108 ? -15.174 -32.926 16.589  1.000 17.419 0 108 SER A N   1 ? 
ATOM   801  C  CA  . SER A 1 108 ? -15.295 -32.485 17.955  1.000 19.092 0 108 SER A CA  1 ? 
ATOM   802  C  C   . SER A 1 108 ? -14.113 -31.559 18.246  1.000 16.645 0 108 SER A C   1 ? 
ATOM   803  O  O   . SER A 1 108 ? -13.055 -31.688 17.634  1.000 13.313 0 108 SER A O   1 ? 
ATOM   804  C  CB  . SER A 1 108 ? -15.374 -33.692 18.868  1.000 23.684 0 108 SER A CB  1 ? 
ATOM   805  O  OG  . SER A 1 108 ? -14.345 -33.699 19.840  1.000 27.454 0 108 SER A OG  1 ? 
ATOM   806  N  N   . CYS A 1 109 ? -14.326 -30.641 19.184  1.000 15.184 0 109 CYS A N   1 ? 
ATOM   807  C  CA  . CYS A 1 109 ? -13.297 -29.699 19.595  1.000 13.777 0 109 CYS A CA  1 ? 
ATOM   808  C  C   . CYS A 1 109 ? -12.240 -30.428 20.389  1.000 14.444 0 109 CYS A C   1 ? 
ATOM   809  O  O   . CYS A 1 109 ? -12.495 -31.500 20.937  1.000 16.689 0 109 CYS A O   1 ? 
ATOM   810  C  CB  . CYS A 1 109 ? -13.890 -28.560 20.409  1.000 12.872 0 109 CYS A CB  1 ? 
ATOM   811  S  SG  . CYS A 1 109 ? -15.177 -27.666 19.529  1.000 12.152 0 109 CYS A SG  1 ? 
ATOM   812  N  N   . ALA A 1 110 ? -11.069 -29.814 20.469  1.000 12.369 0 110 ALA A N   1 ? 
ATOM   813  C  CA  . ALA A 1 110 ? -9.964  -30.349 21.231  1.000 13.315 0 110 ALA A CA  1 ? 
ATOM   814  C  C   . ALA A 1 110 ? -10.052 -29.775 22.636  1.000 14.507 0 110 ALA A C   1 ? 
ATOM   815  O  O   . ALA A 1 110 ? -10.769 -28.787 22.847  1.000 16.963 0 110 ALA A O   1 ? 
ATOM   816  C  CB  . ALA A 1 110 ? -8.688  -29.982 20.578  1.000 13.518 0 110 ALA A CB  1 ? 
ATOM   817  N  N   . SER A 1 111 ? -9.374  -30.444 23.564  1.000 13.902 0 111 SER A N   1 ? 
ATOM   818  C  CA  . SER A 1 111 ? -9.326  -30.086 24.973  1.000 14.406 0 111 SER A CA  1 ? 
ATOM   819  C  C   . SER A 1 111 ? -7.922  -29.622 25.383  1.000 12.735 0 111 SER A C   1 ? 
ATOM   820  O  O   . SER A 1 111 ? -6.892  -30.086 24.879  1.000 11.762 0 111 SER A O   1 ? 
ATOM   821  C  CB  . SER A 1 111 ? -9.790  -31.298 25.837  1.000 15.863 0 111 SER A CB  1 ? 
ATOM   822  O  OG  . SER A 1 111 ? -11.092 -31.718 25.466  1.000 20.727 0 111 SER A OG  1 ? 
ATOM   823  N  N   . ALA A 1 112 ? -7.887  -28.774 26.414  1.000 12.951 0 112 ALA A N   1 ? 
ATOM   824  C  CA  . ALA A 1 112 ? -6.640  -28.446 27.092  1.000 12.979 0 112 ALA A CA  1 ? 
ATOM   825  C  C   . ALA A 1 112 ? -5.838  -29.718 27.381  1.000 14.267 0 112 ALA A C   1 ? 
ATOM   826  O  O   . ALA A 1 112 ? -6.406  -30.735 27.812  1.000 14.283 0 112 ALA A O   1 ? 
ATOM   827  C  CB  . ALA A 1 112 ? -6.923  -27.699 28.392  1.000 13.004 0 112 ALA A CB  1 ? 
ATOM   828  N  N   . GLY A 1 113 ? -4.524  -29.640 27.121  1.000 13.624 0 113 GLY A N   1 ? 
ATOM   829  C  CA  . GLY A 1 113 ? -3.585  -30.705 27.406  1.000 14.611 0 113 GLY A CA  1 ? 
ATOM   830  C  C   . GLY A 1 113 ? -3.217  -31.508 26.169  1.000 15.339 0 113 GLY A C   1 ? 
ATOM   831  O  O   . GLY A 1 113 ? -2.179  -32.153 26.147  1.000 16.149 0 113 GLY A O   1 ? 
ATOM   832  N  N   . THR A 1 114 ? -4.089  -31.514 25.158  1.000 14.906 0 114 THR A N   1 ? 
ATOM   833  C  CA  . THR A 1 114 ? -3.808  -32.236 23.923  1.000 14.545 0 114 THR A CA  1 ? 
ATOM   834  C  C   . THR A 1 114 ? -2.576  -31.613 23.258  1.000 13.707 0 114 THR A C   1 ? 
ATOM   835  O  O   . THR A 1 114 ? -2.493  -30.392 23.166  1.000 11.932 0 114 THR A O   1 ? 
ATOM   836  C  CB  . THR A 1 114 ? -5.055  -32.161 23.038  1.000 16.011 0 114 THR A CB  1 ? 
ATOM   837  O  OG1 . THR A 1 114 ? -6.127  -32.845 23.687  1.000 17.772 0 114 THR A OG1 1 ? 
ATOM   838  C  CG2 . THR A 1 114 ? -4.895  -32.860 21.698  1.000 15.747 0 114 THR A CG2 1 ? 
ATOM   839  N  N   . GLN A 1 115 ? -1.644  -32.445 22.784  1.000 13.359 0 115 GLN A N   1 ? 
ATOM   840  C  CA  . GLN A 1 115 ? -0.491  -31.997 22.016  1.000 16.151 0 115 GLN A CA  1 ? 
ATOM   841  C  C   . GLN A 1 115 ? -0.879  -31.758 20.556  1.000 13.265 0 115 GLN A C   1 ? 
ATOM   842  O  O   . GLN A 1 115 ? -1.710  -32.486 19.990  1.000 13.844 0 115 GLN A O   1 ? 
ATOM   843  C  CB  . GLN A 1 115 ? 0.674   -32.976 22.096  1.000 19.874 0 115 GLN A CB  1 ? 
ATOM   844  C  CG  . GLN A 1 115 ? 1.417   -32.988 23.440  1.000 28.206 0 115 GLN A CG  1 ? 
ATOM   845  C  CD  . GLN A 1 115 ? 2.412   -31.863 23.703  1.000 33.854 0 115 GLN A CD  1 ? 
ATOM   846  O  OE1 . GLN A 1 115 ? 2.510   -31.348 24.826  1.000 37.270 0 115 GLN A OE1 1 ? 
ATOM   847  N  NE2 . GLN A 1 115 ? 3.249   -31.532 22.727  1.000 36.895 0 115 GLN A NE2 1 ? 
ATOM   848  N  N   . CYS A 1 116 ? -0.281  -30.721 19.948  1.000 9.600  0 116 CYS A N   1 ? 
ATOM   849  C  CA  . CYS A 1 116 ? -0.603  -30.353 18.580  1.000 8.081  0 116 CYS A CA  1 ? 
ATOM   850  C  C   . CYS A 1 116 ? 0.680   -29.961 17.859  1.000 7.406  0 116 CYS A C   1 ? 
ATOM   851  O  O   . CYS A 1 116 ? 1.668   -29.620 18.485  1.000 9.278  0 116 CYS A O   1 ? 
ATOM   852  C  CB  . CYS A 1 116 ? -1.587  -29.189 18.541  1.000 7.663  0 116 CYS A CB  1 ? 
ATOM   853  S  SG  . CYS A 1 116 ? -3.137  -29.428 19.465  1.000 8.750  0 116 CYS A SG  1 ? 
ATOM   854  N  N   . LEU A 1 117 ? 0.624   -29.995 16.529  1.000 5.434  0 117 LEU A N   1 ? 
ATOM   855  C  CA  . LEU A 1 117 ? 1.719   -29.621 15.660  1.000 5.068  0 117 LEU A CA  1 ? 
ATOM   856  C  C   . LEU A 1 117 ? 1.356   -28.325 14.952  1.000 4.826  0 117 LEU A C   1 ? 
ATOM   857  O  O   . LEU A 1 117 ? 0.314   -28.246 14.293  1.000 4.878  0 117 LEU A O   1 ? 
ATOM   858  C  CB  . LEU A 1 117 ? 1.938   -30.694 14.629  1.000 4.964  0 117 LEU A CB  1 ? 
ATOM   859  C  CG  . LEU A 1 117 ? 3.131   -30.409 13.722  1.000 4.903  0 117 LEU A CG  1 ? 
ATOM   860  C  CD1 . LEU A 1 117 ? 4.462   -30.507 14.474  1.000 5.304  0 117 LEU A CD1 1 ? 
ATOM   861  C  CD2 . LEU A 1 117 ? 3.082   -31.373 12.553  1.000 5.084  0 117 LEU A CD2 1 ? 
ATOM   862  N  N   . ILE A 1 118 ? 2.203   -27.326 15.118  1.000 4.405  0 118 ILE A N   1 ? 
ATOM   863  C  CA  . ILE A 1 118 ? 2.004   -25.992 14.580  1.000 4.624  0 118 ILE A CA  1 ? 
ATOM   864  C  C   . ILE A 1 118 ? 3.166   -25.776 13.636  1.000 4.291  0 118 ILE A C   1 ? 
ATOM   865  O  O   . ILE A 1 118 ? 4.288   -26.145 13.950  1.000 4.567  0 118 ILE A O   1 ? 
ATOM   866  C  CB  . ILE A 1 118 ? 2.053   -24.939 15.687  1.000 5.251  0 118 ILE A CB  1 ? 
ATOM   867  C  CG1 . ILE A 1 118 ? 1.042   -25.271 16.779  1.000 5.761  0 118 ILE A CG1 1 ? 
ATOM   868  C  CG2 . ILE A 1 118 ? 1.829   -23.532 15.130  1.000 5.369  0 118 ILE A CG2 1 ? 
ATOM   869  C  CD1 . ILE A 1 118 ? 1.077   -24.339 17.986  1.000 6.225  0 118 ILE A CD1 1 ? 
ATOM   870  N  N   . SER A 1 119 ? 2.915   -25.215 12.464  1.000 3.859  0 119 SER A N   1 ? 
ATOM   871  C  CA  . SER A 1 119 ? 3.976   -25.131 11.470  1.000 3.886  0 119 SER A CA  1 ? 
ATOM   872  C  C   . SER A 1 119 ? 3.893   -23.842 10.649  1.000 4.226  0 119 SER A C   1 ? 
ATOM   873  O  O   . SER A 1 119 ? 2.828   -23.252 10.500  1.000 3.983  0 119 SER A O   1 ? 
ATOM   874  C  CB  . SER A 1 119 ? 3.963   -26.362 10.608  1.000 3.782  0 119 SER A CB  1 ? 
ATOM   875  O  OG  . SER A 1 119 ? 2.617   -26.625 10.179  1.000 3.669  0 119 SER A OG  1 ? 
ATOM   876  N  N   . GLY A 1 120 ? 5.036   -23.420 10.082  1.000 4.119  0 120 GLY A N   1 ? 
ATOM   877  C  CA  . GLY A 1 120 ? 5.044   -22.262 9.199   1.000 4.290  0 120 GLY A CA  1 ? 
ATOM   878  C  C   . GLY A 1 120 ? 6.444   -21.744 8.890   1.000 4.297  0 120 GLY A C   1 ? 
ATOM   879  O  O   . GLY A 1 120 ? 7.466   -22.237 9.383   1.000 4.285  0 120 GLY A O   1 ? 
ATOM   880  N  N   . TRP A 1 121 ? 6.453   -20.706 8.034   1.000 4.171  0 121 TRP A N   1 ? 
ATOM   881  C  CA  . TRP A 1 121 ? 7.660   -20.053 7.544   1.000 4.098  0 121 TRP A CA  1 ? 
ATOM   882  C  C   . TRP A 1 121 ? 7.817   -18.690 8.216   1.000 4.187  0 121 TRP A C   1 ? 
ATOM   883  O  O   . TRP A 1 121 ? 8.550   -17.836 7.726   1.000 4.984  0 121 TRP A O   1 ? 
ATOM   884  C  CB  . TRP A 1 121 ? 7.606   -19.923 6.023   1.000 4.216  0 121 TRP A CB  1 ? 
ATOM   885  C  CG  . TRP A 1 121 ? 7.760   -21.224 5.272   1.000 4.074  0 121 TRP A CG  1 ? 
ATOM   886  C  CD1 . TRP A 1 121 ? 8.944   -21.824 4.928   1.000 4.278  0 121 TRP A CD1 1 ? 
ATOM   887  C  CD2 . TRP A 1 121 ? 6.721   -22.056 4.719   1.000 3.977  0 121 TRP A CD2 1 ? 
ATOM   888  N  NE1 . TRP A 1 121 ? 8.705   -22.945 4.188   1.000 4.496  0 121 TRP A NE1 1 ? 
ATOM   889  C  CE2 . TRP A 1 121 ? 7.358   -23.115 4.032   1.000 4.118  0 121 TRP A CE2 1 ? 
ATOM   890  C  CE3 . TRP A 1 121 ? 5.323   -21.988 4.691   1.000 3.924  0 121 TRP A CE3 1 ? 
ATOM   891  C  CZ2 . TRP A 1 121 ? 6.643   -24.111 3.378   1.000 4.105  0 121 TRP A CZ2 1 ? 
ATOM   892  C  CZ3 . TRP A 1 121 ? 4.622   -22.949 4.003   1.000 3.976  0 121 TRP A CZ3 1 ? 
ATOM   893  C  CH2 . TRP A 1 121 ? 5.269   -24.003 3.365   1.000 4.282  0 121 TRP A CH2 1 ? 
ATOM   894  N  N   . GLY A 1 122 ? 7.237   -18.515 9.410   1.000 4.474  0 122 GLY A N   1 ? 
ATOM   895  C  CA  . GLY A 1 122 ? 7.378   -17.249 10.095  1.000 4.657  0 122 GLY A CA  1 ? 
ATOM   896  C  C   . GLY A 1 122 ? 8.712   -17.064 10.822  1.000 4.871  0 122 GLY A C   1 ? 
ATOM   897  O  O   . GLY A 1 122 ? 9.583   -17.957 10.851  1.000 5.074  0 122 GLY A O   1 ? 
ATOM   898  N  N   . ASN A 1 123 ? 8.814   -15.873 11.409  1.000 5.778  0 123 ASN A N   1 ? 
ATOM   899  C  CA  . ASN A 1 123 ? 9.993   -15.443 12.152  1.000 6.574  0 123 ASN A CA  1 ? 
ATOM   900  C  C   . ASN A 1 123 ? 10.378  -16.521 13.172  1.000 6.582  0 123 ASN A C   1 ? 
ATOM   901  O  O   . ASN A 1 123 ? 9.513   -17.063 13.883  1.000 5.542  0 123 ASN A O   1 ? 
ATOM   902  C  CB  . ASN A 1 123 ? 9.716   -14.130 12.859  1.000 7.207  0 123 ASN A CB  1 ? 
ATOM   903  C  CG  . ASN A 1 123 ? 10.942  -13.395 13.350  1.000 8.424  0 123 ASN A CG  1 ? 
ATOM   904  O  OD1 . ASN A 1 123 ? 12.076  -13.883 13.283  1.000 8.845  0 123 ASN A OD1 1 ? 
ATOM   905  N  ND2 . ASN A 1 123 ? 10.706  -12.213 13.889  1.000 10.395 0 123 ASN A ND2 1 ? 
ATOM   906  N  N   . THR A 1 124 ? 11.689  -16.754 13.301  1.000 7.269  0 124 THR A N   1 ? 
ATOM   907  C  CA  . THR A 1 124 ? 12.227  -17.735 14.241  1.000 7.876  0 124 THR A CA  1 ? 
ATOM   908  C  C   . THR A 1 124 ? 12.867  -17.066 15.459  1.000 8.307  0 124 THR A C   1 ? 
ATOM   909  O  O   . THR A 1 124 ? 13.372  -17.770 16.338  1.000 7.857  0 124 THR A O   1 ? 
ATOM   910  C  CB  . THR A 1 124 ? 13.226  -18.682 13.556  1.000 7.806  0 124 THR A CB  1 ? 
ATOM   911  O  OG1 . THR A 1 124 ? 14.360  -17.929 13.104  1.000 8.597  0 124 THR A OG1 1 ? 
ATOM   912  C  CG2 . THR A 1 124 ? 12.605  -19.511 12.436  1.000 7.494  0 124 THR A CG2 1 ? 
ATOM   913  N  N   . LYS A 1 125 ? 12.846  -15.727 15.548  1.000 10.033 0 125 LYS A N   1 ? 
ATOM   914  C  CA  . LYS A 1 125 ? 13.418  -15.056 16.720  1.000 13.417 0 125 LYS A CA  1 ? 
ATOM   915  C  C   . LYS A 1 125 ? 12.342  -14.290 17.489  1.000 13.929 0 125 LYS A C   1 ? 
ATOM   916  O  O   . LYS A 1 125 ? 11.413  -13.764 16.893  1.000 13.538 0 125 LYS A O   1 ? 
ATOM   917  C  CB  . LYS A 1 125 ? 14.413  -14.034 16.180  1.000 16.634 0 125 LYS A CB  1 ? 
ATOM   918  C  CG  . LYS A 1 125 ? 15.408  -14.690 15.290  1.000 19.776 0 125 LYS A CG  1 ? 
ATOM   919  C  CD  . LYS A 1 125 ? 16.279  -15.682 16.039  1.000 22.921 0 125 LYS A CD  1 ? 
ATOM   920  C  CE  . LYS A 1 125 ? 17.514  -15.000 16.540  1.000 26.149 0 125 LYS A CE  1 ? 
ATOM   921  N  NZ  . LYS A 1 125 ? 18.521  -14.965 15.480  1.000 26.765 0 125 LYS A NZ  1 ? 
ATOM   922  N  N   . SER A 1 126 ? 12.461  -14.207 18.820  1.000 17.323 0 126 SER A N   1 ? 
ATOM   923  C  CA  . SER A 1 126 ? 11.514  -13.468 19.644  1.000 19.727 0 126 SER A CA  1 ? 
ATOM   924  C  C   . SER A 1 126 ? 11.977  -12.035 19.932  1.000 21.985 0 126 SER A C   1 ? 
ATOM   925  O  O   . SER A 1 126 ? 11.153  -11.186 20.303  1.000 20.855 0 126 SER A O   1 ? 
ATOM   926  C  CB  . SER A 1 126 ? 11.266  -14.216 20.923  1.000 20.028 0 126 SER A CB  1 ? 
ATOM   927  O  OG  . SER A 1 126 ? 12.484  -14.433 21.628  1.000 20.322 0 126 SER A OG  1 ? 
ATOM   928  N  N   . SER A 1 127 ? 13.302  -11.792 19.826  1.000 23.416 0 127 SER A N   1 ? 
ATOM   929  C  CA  . SER A 1 127 ? 13.898  -10.472 20.026  1.000 26.426 0 127 SER A CA  1 ? 
ATOM   930  C  C   . SER A 1 127 ? 14.917  -10.219 18.923  1.000 27.790 0 127 SER A C   1 ? 
ATOM   931  O  O   . SER A 1 127 ? 16.095  -9.920  19.145  1.000 31.640 0 127 SER A O   1 ? 
ATOM   932  C  CB  . SER A 1 127 ? 14.521  -10.329 21.388  1.000 28.319 0 127 SER A CB  1 ? 
ATOM   933  O  OG  . SER A 1 127 ? 13.530  -10.441 22.402  1.000 32.015 0 127 SER A OG  1 ? 
ATOM   934  N  N   . GLY A 1 128 ? 14.401  -10.291 17.713  1.000 22.956 0 128 GLY A N   1 ? 
ATOM   935  C  CA  . GLY A 1 128 ? 15.227  -10.452 16.535  1.000 23.691 0 128 GLY A CA  1 ? 
ATOM   936  C  C   . GLY A 1 128 ? 14.297  -10.699 15.361  1.000 24.087 0 128 GLY A C   1 ? 
ATOM   937  O  O   . GLY A 1 128 ? 13.073  -10.770 15.572  1.000 24.899 0 128 GLY A O   1 ? 
ATOM   938  N  N   . THR A 1 129 ? 14.889  -10.767 14.163  1.000 23.007 0 129 THR A N   1 ? 
ATOM   939  C  CA  . THR A 1 129 ? 14.165  -11.110 12.953  1.000 21.064 0 129 THR A CA  1 ? 
ATOM   940  C  C   . THR A 1 129 ? 15.038  -12.024 12.106  1.000 17.465 0 129 THR A C   1 ? 
ATOM   941  O  O   . THR A 1 129 ? 16.143  -11.656 11.727  1.000 17.899 0 129 THR A O   1 ? 
ATOM   942  C  CB  . THR A 1 129 ? 13.765  -9.840  12.207  1.000 25.177 0 129 THR A CB  1 ? 
ATOM   943  O  OG1 . THR A 1 129 ? 12.696  -9.342  13.002  1.000 29.394 0 129 THR A OG1 1 ? 
ATOM   944  C  CG2 . THR A 1 129 ? 13.207  -10.100 10.824  1.000 24.603 0 129 THR A CG2 1 ? 
ATOM   945  N  N   . SER A 1 130 ? 14.525  -13.227 11.833  1.000 14.226 0 130 SER A N   1 ? 
ATOM   946  C  CA  . SER A 1 130 ? 15.162  -14.158 10.918  1.000 12.879 0 130 SER A CA  1 ? 
ATOM   947  C  C   . SER A 1 130 ? 14.093  -15.086 10.347  1.000 11.598 0 130 SER A C   1 ? 
ATOM   948  O  O   . SER A 1 130 ? 13.455  -15.840 11.087  1.000 11.719 0 130 SER A O   1 ? 
ATOM   949  C  CB  . SER A 1 130 ? 16.224  -14.954 11.568  1.000 13.959 0 130 SER A CB  1 ? 
ATOM   950  O  OG  . SER A 1 130 ? 16.788  -15.879 10.635  1.000 14.514 0 130 SER A OG  1 ? 
ATOM   951  N  N   . TYR A 1 131 ? 13.909  -15.014 9.029   1.000 9.964  0 131 TYR A N   1 ? 
ATOM   952  C  CA  . TYR A 1 131 ? 12.884  -15.776 8.334   1.000 8.823  0 131 TYR A CA  1 ? 
ATOM   953  C  C   . TYR A 1 131 ? 13.530  -16.999 7.689   1.000 7.909  0 131 TYR A C   1 ? 
ATOM   954  O  O   . TYR A 1 131 ? 14.494  -16.896 6.925   1.000 7.654  0 131 TYR A O   1 ? 
ATOM   955  C  CB  . TYR A 1 131 ? 12.138  -14.911 7.306   1.000 9.454  0 131 TYR A CB  1 ? 
ATOM   956  C  CG  . TYR A 1 131 ? 11.167  -13.982 8.015   1.000 10.221 0 131 TYR A CG  1 ? 
ATOM   957  C  CD1 . TYR A 1 131 ? 11.593  -12.764 8.525   1.000 10.708 0 131 TYR A CD1 1 ? 
ATOM   958  C  CD2 . TYR A 1 131 ? 9.836   -14.349 8.220   1.000 11.270 0 131 TYR A CD2 1 ? 
ATOM   959  C  CE1 . TYR A 1 131 ? 10.724  -11.923 9.213   1.000 11.718 0 131 TYR A CE1 1 ? 
ATOM   960  C  CE2 . TYR A 1 131 ? 8.965   -13.512 8.895   1.000 12.446 0 131 TYR A CE2 1 ? 
ATOM   961  C  CZ  . TYR A 1 131 ? 9.418   -12.307 9.414   1.000 12.624 0 131 TYR A CZ  1 ? 
ATOM   962  O  OH  . TYR A 1 131 ? 8.580   -11.453 10.093  1.000 13.801 0 131 TYR A OH  1 ? 
ATOM   963  N  N   . PRO A 1 132 ? 12.996  -18.206 7.953   1.000 6.973  0 132 PRO A N   1 ? 
ATOM   964  C  CA  . PRO A 1 132 ? 13.581  -19.427 7.423   1.000 6.832  0 132 PRO A CA  1 ? 
ATOM   965  C  C   . PRO A 1 132 ? 13.122  -19.631 5.977   1.000 6.826  0 132 PRO A C   1 ? 
ATOM   966  O  O   . PRO A 1 132 ? 12.114  -19.090 5.532   1.000 9.513  0 132 PRO A O   1 ? 
ATOM   967  C  CB  . PRO A 1 132 ? 13.025  -20.477 8.400   1.000 6.508  0 132 PRO A CB  1 ? 
ATOM   968  C  CG  . PRO A 1 132 ? 11.637  -19.950 8.685   1.000 6.537  0 132 PRO A CG  1 ? 
ATOM   969  C  CD  . PRO A 1 132 ? 11.803  -18.439 8.786   1.000 6.596  0 132 PRO A CD  1 ? 
ATOM   970  N  N   . ASP A 1 133 ? 13.891  -20.417 5.250   1.000 7.367  0 133 ASP A N   1 ? 
ATOM   971  C  CA  . ASP A 1 133 ? 13.496  -20.818 3.910   1.000 7.297  0 133 ASP A CA  1 ? 
ATOM   972  C  C   . ASP A 1 133 ? 12.715  -22.138 3.931   1.000 6.685  0 133 ASP A C   1 ? 
ATOM   973  O  O   . ASP A 1 133 ? 11.845  -22.362 3.090   1.000 6.516  0 133 ASP A O   1 ? 
ATOM   974  C  CB  . ASP A 1 133 ? 14.686  -20.884 2.970   1.000 9.506  0 133 ASP A CB  1 ? 
ATOM   975  C  CG  . ASP A 1 133 ? 15.442  -19.570 2.861   1.000 11.815 0 133 ASP A CG  1 ? 
ATOM   976  O  OD1 . ASP A 1 133 ? 14.816  -18.554 2.520   1.000 13.952 0 133 ASP A OD1 1 ? 
ATOM   977  O  OD2 . ASP A 1 133 ? 16.661  -19.542 3.202   1.000 17.259 0 133 ASP A OD2 1 ? 
ATOM   978  N  N   . VAL A 1 134 ? 13.021  -23.045 4.870   1.000 5.346  0 134 VAL A N   1 ? 
ATOM   979  C  CA  . VAL A 1 134 ? 12.320  -24.312 4.984   1.000 4.756  0 134 VAL A CA  1 ? 
ATOM   980  C  C   . VAL A 1 134 ? 11.301  -24.302 6.126   1.000 4.294  0 134 VAL A C   1 ? 
ATOM   981  O  O   . VAL A 1 134 ? 11.357  -23.454 6.998   1.000 4.501  0 134 VAL A O   1 ? 
ATOM   982  C  CB  . VAL A 1 134 ? 13.292  -25.464 5.180   1.000 4.657  0 134 VAL A CB  1 ? 
ATOM   983  C  CG1 . VAL A 1 134 ? 14.218  -25.581 3.964   1.000 4.634  0 134 VAL A CG1 1 ? 
ATOM   984  C  CG2 . VAL A 1 134 ? 14.038  -25.314 6.502   1.000 4.741  0 134 VAL A CG2 1 ? 
ATOM   985  N  N   . LEU A 1 135 ? 10.326  -25.206 6.050   1.000 4.135  0 135 LEU A N   1 ? 
ATOM   986  C  CA  . LEU A 1 135 ? 9.206   -25.215 6.985   1.000 3.908  0 135 LEU A CA  1 ? 
ATOM   987  C  C   . LEU A 1 135 ? 9.663   -25.577 8.390   1.000 4.256  0 135 LEU A C   1 ? 
ATOM   988  O  O   . LEU A 1 135 ? 10.351  -26.570 8.569   1.000 4.162  0 135 LEU A O   1 ? 
ATOM   989  C  CB  . LEU A 1 135 ? 8.133   -26.168 6.483   1.000 3.947  0 135 LEU A CB  1 ? 
ATOM   990  C  CG  . LEU A 1 135 ? 6.815   -26.175 7.236   1.000 3.851  0 135 LEU A CG  1 ? 
ATOM   991  C  CD1 . LEU A 1 135 ? 6.095   -24.863 7.088   1.000 3.899  0 135 LEU A CD1 1 ? 
ATOM   992  C  CD2 . LEU A 1 135 ? 6.017   -27.363 6.739   1.000 4.196  0 135 LEU A CD2 1 ? 
ATOM   993  N  N   . LYS A 1 136 ? 9.216   -24.801 9.374   1.000 4.656  0 136 LYS A N   1 ? 
ATOM   994  C  CA  . LYS A 1 136 ? 9.510   -25.081 10.762  1.000 4.876  0 136 LYS A CA  1 ? 
ATOM   995  C  C   . LYS A 1 136 ? 8.253   -25.588 11.472  1.000 4.376  0 136 LYS A C   1 ? 
ATOM   996  O  O   . LYS A 1 136 ? 7.121   -25.332 11.054  1.000 3.905  0 136 LYS A O   1 ? 
ATOM   997  C  CB  . LYS A 1 136 ? 9.996   -23.844 11.503  1.000 5.950  0 136 LYS A CB  1 ? 
ATOM   998  C  CG  . LYS A 1 136 ? 11.300  -23.284 10.962  1.000 7.458  0 136 LYS A CG  1 ? 
ATOM   999  C  CD  . LYS A 1 136 ? 12.480  -24.219 11.220  1.000 9.967  0 136 LYS A CD  1 ? 
ATOM   1000 C  CE  . LYS A 1 136 ? 13.828  -23.641 10.925  1.000 12.846 0 136 LYS A CE  1 ? 
ATOM   1001 N  NZ  . LYS A 1 136 ? 14.821  -24.577 11.507  1.000 13.323 0 136 LYS A NZ  1 ? 
ATOM   1002 N  N   . CYS A 1 137 ? 8.497   -26.377 12.512  1.000 3.989  0 137 CYS A N   1 ? 
ATOM   1003 C  CA  . CYS A 1 137 ? 7.457   -27.069 13.254  1.000 3.923  0 137 CYS A CA  1 ? 
ATOM   1004 C  C   . CYS A 1 137 ? 7.640   -26.853 14.762  1.000 4.004  0 137 CYS A C   1 ? 
ATOM   1005 O  O   . CYS A 1 137 ? 8.760   -26.687 15.241  1.000 4.345  0 137 CYS A O   1 ? 
ATOM   1006 C  CB  . CYS A 1 137 ? 7.547   -28.568 13.008  1.000 3.782  0 137 CYS A CB  1 ? 
ATOM   1007 S  SG  . CYS A 1 137 ? 6.737   -29.171 11.500  1.000 3.633  0 137 CYS A SG  1 ? 
ATOM   1008 N  N   . LEU A 1 138 ? 6.534   -26.965 15.506  1.000 4.223  0 138 LEU A N   1 ? 
ATOM   1009 C  CA  . LEU A 1 138 ? 6.500   -26.857 16.955  1.000 4.599  0 138 LEU A CA  1 ? 
ATOM   1010 C  C   . LEU A 1 138 ? 5.424   -27.794 17.494  1.000 4.931  0 138 LEU A C   1 ? 
ATOM   1011 O  O   . LEU A 1 138 ? 4.287   -27.729 17.078  1.000 5.365  0 138 LEU A O   1 ? 
ATOM   1012 C  CB  . LEU A 1 138 ? 6.207   -25.422 17.404  1.000 4.711  0 138 LEU A CB  1 ? 
ATOM   1013 C  CG  . LEU A 1 138 ? 6.119   -25.212 18.922  1.000 4.985  0 138 LEU A CG  1 ? 
ATOM   1014 C  CD1 . LEU A 1 138 ? 7.506   -25.539 19.499  1.000 5.242  0 138 LEU A CD1 1 ? 
ATOM   1015 C  CD2 . LEU A 1 138 ? 5.708   -23.795 19.204  1.000 4.655  0 138 LEU A CD2 1 ? 
ATOM   1016 N  N   . LYS A 1 139 ? 5.795   -28.668 18.430  1.000 4.971  0 139 LYS A N   1 ? 
ATOM   1017 C  CA  . LYS A 1 139 ? 4.792   -29.417 19.163  1.000 5.503  0 139 LYS A CA  1 ? 
ATOM   1018 C  C   . LYS A 1 139 ? 4.438   -28.589 20.394  1.000 5.533  0 139 LYS A C   1 ? 
ATOM   1019 O  O   . LYS A 1 139 ? 5.353   -28.191 21.135  1.000 5.402  0 139 LYS A O   1 ? 
ATOM   1020 C  CB  . LYS A 1 139 ? 5.309   -30.827 19.477  1.000 6.074  0 139 LYS A CB  1 ? 
ATOM   1021 C  CG  . LYS A 1 139 ? 5.450   -31.681 18.245  1.000 6.670  0 139 LYS A CG  1 ? 
ATOM   1022 C  CD  . LYS A 1 139 ? 5.893   -33.095 18.571  1.000 7.282  0 139 LYS A CD  1 ? 
ATOM   1023 C  CE  . LYS A 1 139 ? 6.039   -33.943 17.309  1.000 7.729  0 139 LYS A CE  1 ? 
ATOM   1024 N  NZ  . LYS A 1 139 ? 6.364   -35.340 17.655  1.000 7.840  0 139 LYS A NZ  1 ? 
ATOM   1025 N  N   . ALA A 1 140 ? 3.143   -28.384 20.616  1.000 6.430  0 140 ALA A N   1 ? 
ATOM   1026 C  CA  . ALA A 1 140 ? 2.683   -27.551 21.715  1.000 6.644  0 140 ALA A CA  1 ? 
ATOM   1027 C  C   . ALA A 1 140 ? 1.336   -28.053 22.198  1.000 6.443  0 140 ALA A C   1 ? 
ATOM   1028 O  O   . ALA A 1 140 ? 0.496   -28.472 21.406  1.000 6.895  0 140 ALA A O   1 ? 
ATOM   1029 C  CB  . ALA A 1 140 ? 2.528   -26.135 21.246  1.000 7.525  0 140 ALA A CB  1 ? 
ATOM   1030 N  N   . PRO A 1 141 ? 1.074   -27.919 23.510  1.000 6.369  0 141 PRO A N   1 ? 
ATOM   1031 C  CA  . PRO A 1 141 ? -0.230  -28.260 24.049  1.000 6.435  0 141 PRO A CA  1 ? 
ATOM   1032 C  C   . PRO A 1 141 ? -1.232  -27.120 24.012  1.000 6.201  0 141 PRO A C   1 ? 
ATOM   1033 O  O   . PRO A 1 141 ? -0.850  -25.952 24.142  1.000 6.126  0 141 PRO A O   1 ? 
ATOM   1034 C  CB  . PRO A 1 141 ? 0.148   -28.575 25.512  1.000 6.635  0 141 PRO A CB  1 ? 
ATOM   1035 C  CG  . PRO A 1 141 ? 1.277   -27.648 25.824  1.000 6.833  0 141 PRO A CG  1 ? 
ATOM   1036 C  CD  . PRO A 1 141 ? 2.067   -27.530 24.528  1.000 6.541  0 141 PRO A CD  1 ? 
ATOM   1037 N  N   . ILE A 1 142 ? -2.503  -27.484 23.942  1.000 6.564  0 142 ILE A N   1 ? 
ATOM   1038 C  CA  . ILE A 1 142 ? -3.579  -26.538 24.153  1.000 6.761  0 142 ILE A CA  1 ? 
ATOM   1039 C  C   . ILE A 1 142 ? -3.584  -26.180 25.640  1.000 6.885  0 142 ILE A C   1 ? 
ATOM   1040 O  O   . ILE A 1 142 ? -3.422  -27.059 26.480  1.000 7.663  0 142 ILE A O   1 ? 
ATOM   1041 C  CB  . ILE A 1 142 ? -4.895  -27.164 23.679  1.000 7.450  0 142 ILE A CB  1 ? 
ATOM   1042 C  CG1 . ILE A 1 142 ? -4.823  -27.414 22.165  1.000 7.438  0 142 ILE A CG1 1 ? 
ATOM   1043 C  CG2 . ILE A 1 142 ? -6.104  -26.312 24.029  1.000 7.552  0 142 ILE A CG2 1 ? 
ATOM   1044 C  CD1 . ILE A 1 142 ? -6.004  -28.158 21.617  1.000 8.312  0 142 ILE A CD1 1 ? 
ATOM   1045 N  N   . LEU A 1 143 ? -3.783  -24.903 25.951  1.000 6.707  0 143 LEU A N   1 ? 
ATOM   1046 C  CA  . LEU A 1 143 ? -3.894  -24.411 27.304  1.000 7.142  0 143 LEU A CA  1 ? 
ATOM   1047 C  C   . LEU A 1 143 ? -5.361  -24.281 27.707  1.000 6.828  0 143 LEU A C   1 ? 
ATOM   1048 O  O   . LEU A 1 143 ? -6.261  -24.151 26.879  1.000 6.720  0 143 LEU A O   1 ? 
ATOM   1049 C  CB  . LEU A 1 143 ? -3.164  -23.073 27.349  1.000 7.562  0 143 LEU A CB  1 ? 
ATOM   1050 C  CG  . LEU A 1 143 ? -1.664  -23.186 27.043  1.000 8.678  0 143 LEU A CG  1 ? 
ATOM   1051 C  CD1 . LEU A 1 143 ? -1.012  -21.826 26.892  1.000 9.056  0 143 LEU A CD1 1 ? 
ATOM   1052 C  CD2 . LEU A 1 143 ? -0.846  -24.002 28.032  1.000 10.209 0 143 LEU A CD2 1 ? 
ATOM   1053 N  N   . SER A 1 144 ? -5.591  -24.275 29.025  1.000 8.045  0 144 SER A N   1 ? 
ATOM   1054 C  CA  . SER A 1 144 ? -6.919  -24.130 29.553  1.000 8.373  0 144 SER A CA  1 ? 
ATOM   1055 C  C   . SER A 1 144 ? -7.483  -22.776 29.146  1.000 8.875  0 144 SER A C   1 ? 
ATOM   1056 O  O   . SER A 1 144 ? -6.759  -21.787 29.028  1.000 7.692  0 144 SER A O   1 ? 
ATOM   1057 C  CB  . SER A 1 144 ? -6.926  -24.297 31.061  1.000 8.401  0 144 SER A CB  1 ? 
ATOM   1058 O  OG  . SER A 1 144 ? -6.175  -23.266 31.670  1.000 8.260  0 144 SER A OG  1 ? 
ATOM   1059 N  N   . ASP A 1 145 ? -8.805  -22.735 29.019  1.000 9.766  0 145 ASP A N   1 ? 
ATOM   1060 C  CA  . ASP A 1 145 ? -9.529  -21.501 28.788  1.000 11.713 0 145 ASP A CA  1 ? 
ATOM   1061 C  C   . ASP A 1 145 ? -9.161  -20.503 29.871  1.000 10.932 0 145 ASP A C   1 ? 
ATOM   1062 O  O   . ASP A 1 145 ? -8.919  -19.343 29.562  1.000 10.040 0 145 ASP A O   1 ? 
ATOM   1063 C  CB  . ASP A 1 145 ? -11.039 -21.723 28.825  1.000 14.409 0 145 ASP A CB  1 ? 
ATOM   1064 C  CG  . ASP A 1 145 ? -11.887 -20.558 28.346  1.000 19.800 0 145 ASP A CG  1 ? 
ATOM   1065 O  OD1 . ASP A 1 145 ? -11.495 -19.913 27.311  1.000 22.009 0 145 ASP A OD1 1 ? 
ATOM   1066 O  OD2 . ASP A 1 145 ? -12.950 -20.311 28.995  1.000 24.155 0 145 ASP A OD2 1 ? 
ATOM   1067 N  N   . SER A 1 146 ? -9.110  -20.935 31.138  1.000 11.103 0 146 SER A N   1 ? 
ATOM   1068 C  CA  . SER A 1 146 ? -8.874  -19.959 32.196  1.000 12.308 0 146 SER A CA  1 ? 
ATOM   1069 C  C   . SER A 1 146 ? -7.458  -19.387 32.131  1.000 10.991 0 146 SER A C   1 ? 
ATOM   1070 O  O   . SER A 1 146 ? -7.302  -18.173 32.339  1.000 11.310 0 146 SER A O   1 ? 
ATOM   1071 C  CB  . SER A 1 146 ? -9.191  -20.465 33.582  1.000 13.417 0 146 SER A CB  1 ? 
ATOM   1072 O  OG  . SER A 1 146 ? -8.431  -21.612 33.885  1.000 15.179 0 146 SER A OG  1 ? 
ATOM   1073 N  N   . SER A 1 147 ? -6.449  -20.208 31.786  1.000 10.568 0 147 SER A N   1 ? 
ATOM   1074 C  CA  . SER A 1 147 ? -5.105  -19.661 31.720  1.000 10.585 0 147 SER A CA  1 ? 
ATOM   1075 C  C   . SER A 1 147 ? -4.991  -18.754 30.495  1.000 9.879  0 147 SER A C   1 ? 
ATOM   1076 O  O   . SER A 1 147 ? -4.302  -17.739 30.526  1.000 9.034  0 147 SER A O   1 ? 
ATOM   1077 C  CB  . SER A 1 147 ? -4.005  -20.714 31.747  1.000 13.320 0 147 SER A CB  1 ? 
ATOM   1078 O  OG  . SER A 1 147 ? -3.959  -21.435 30.541  1.000 15.828 0 147 SER A OG  1 ? 
ATOM   1079 N  N   . CYS A 1 148 ? -5.715  -19.100 29.424  1.000 8.767  0 148 CYS A N   1 ? 
ATOM   1080 C  CA  . CYS A 1 148 ? -5.759  -18.261 28.234  1.000 7.645  0 148 CYS A CA  1 ? 
ATOM   1081 C  C   . CYS A 1 148 ? -6.332  -16.873 28.538  1.000 7.535  0 148 CYS A C   1 ? 
ATOM   1082 O  O   . CYS A 1 148 ? -5.726  -15.869 28.197  1.000 6.711  0 148 CYS A O   1 ? 
ATOM   1083 C  CB  . CYS A 1 148 ? -6.468  -19.017 27.107  1.000 7.097  0 148 CYS A CB  1 ? 
ATOM   1084 S  SG  . CYS A 1 148 ? -6.418  -18.214 25.491  1.000 7.184  0 148 CYS A SG  1 ? 
ATOM   1085 N  N   . LYS A 1 149 ? -7.478  -16.825 29.216  1.000 8.041  0 149 LYS A N   1 ? 
ATOM   1086 C  CA  . LYS A 1 149 ? -8.140  -15.576 29.566  1.000 9.474  0 149 LYS A CA  1 ? 
ATOM   1087 C  C   . LYS A 1 149 ? -7.304  -14.801 30.578  1.000 9.615  0 149 LYS A C   1 ? 
ATOM   1088 O  O   . LYS A 1 149 ? -7.292  -13.562 30.555  1.000 10.576 0 149 LYS A O   1 ? 
ATOM   1089 C  CB  . LYS A 1 149 ? -9.548  -15.886 30.087  1.000 11.039 0 149 LYS A CB  1 ? 
ATOM   1090 C  CG  . LYS A 1 149 ? -10.492 -16.337 28.996  1.000 12.571 0 149 LYS A CG  1 ? 
ATOM   1091 C  CD  . LYS A 1 149 ? -11.825 -16.814 29.530  1.000 15.223 0 149 LYS A CD  1 ? 
ATOM   1092 C  CE  . LYS A 1 149 ? -12.768 -16.807 28.371  1.000 18.287 0 149 LYS A CE  1 ? 
ATOM   1093 N  NZ  . LYS A 1 149 ? -13.979 -17.545 28.722  1.000 21.377 0 149 LYS A NZ  1 ? 
ATOM   1094 N  N   . SER A 1 150 ? -6.600  -15.509 31.473  1.000 9.129  0 150 SER A N   1 ? 
ATOM   1095 C  CA  . SER A 1 150 ? -5.744  -14.860 32.459  1.000 9.934  0 150 SER A CA  1 ? 
ATOM   1096 C  C   . SER A 1 150 ? -4.553  -14.188 31.799  1.000 9.071  0 150 SER A C   1 ? 
ATOM   1097 O  O   . SER A 1 150 ? -4.135  -13.122 32.230  1.000 9.661  0 150 SER A O   1 ? 
ATOM   1098 C  CB  . SER A 1 150 ? -5.260  -15.809 33.517  1.000 10.976 0 150 SER A CB  1 ? 
ATOM   1099 O  OG  . SER A 1 150 ? -6.341  -16.098 34.384  1.000 13.943 0 150 SER A OG  1 ? 
ATOM   1100 N  N   . ALA A 1 151 ? -3.986  -14.820 30.767  1.000 7.897  0 151 ALA A N   1 ? 
ATOM   1101 C  CA  . ALA A 1 151 ? -2.875  -14.231 30.044  1.000 8.313  0 151 ALA A CA  1 ? 
ATOM   1102 C  C   . ALA A 1 151 ? -3.288  -12.985 29.250  1.000 8.437  0 151 ALA A C   1 ? 
ATOM   1103 O  O   . ALA A 1 151 ? -2.475  -12.081 29.045  1.000 8.610  0 151 ALA A O   1 ? 
ATOM   1104 C  CB  . ALA A 1 151 ? -2.308  -15.277 29.112  1.000 8.313  0 151 ALA A CB  1 ? 
ATOM   1105 N  N   . TYR A 1 152 ? -4.538  -12.954 28.786  1.000 7.373  0 152 TYR A N   1 ? 
ATOM   1106 C  CA  . TYR A 1 152 ? -5.010  -11.929 27.866  1.000 7.224  0 152 TYR A CA  1 ? 
ATOM   1107 C  C   . TYR A 1 152 ? -6.375  -11.406 28.323  1.000 7.609  0 152 TYR A C   1 ? 
ATOM   1108 O  O   . TYR A 1 152 ? -7.408  -11.644 27.711  1.000 7.421  0 152 TYR A O   1 ? 
ATOM   1109 C  CB  . TYR A 1 152 ? -5.117  -12.469 26.427  1.000 6.943  0 152 TYR A CB  1 ? 
ATOM   1110 C  CG  . TYR A 1 152 ? -3.794  -12.795 25.747  1.000 6.470  0 152 TYR A CG  1 ? 
ATOM   1111 C  CD1 . TYR A 1 152 ? -2.957  -11.789 25.288  1.000 6.586  0 152 TYR A CD1 1 ? 
ATOM   1112 C  CD2 . TYR A 1 152 ? -3.404  -14.098 25.482  1.000 5.971  0 152 TYR A CD2 1 ? 
ATOM   1113 C  CE1 . TYR A 1 152 ? -1.768  -12.059 24.634  1.000 6.565  0 152 TYR A CE1 1 ? 
ATOM   1114 C  CE2 . TYR A 1 152 ? -2.216  -14.381 24.836  1.000 5.943  0 152 TYR A CE2 1 ? 
ATOM   1115 C  CZ  . TYR A 1 152 ? -1.419  -13.369 24.350  1.000 6.366  0 152 TYR A CZ  1 ? 
ATOM   1116 O  OH  . TYR A 1 152 ? -0.242  -13.681 23.720  1.000 6.823  0 152 TYR A OH  1 ? 
ATOM   1117 N  N   . PRO A 1 153 ? -6.429  -10.682 29.463  1.000 7.845  0 153 PRO A N   1 ? 
ATOM   1118 C  CA  . PRO A 1 153 ? -7.695  -10.208 30.035  1.000 8.781  0 153 PRO A CA  1 ? 
ATOM   1119 C  C   . PRO A 1 153 ? -8.538  -9.449  29.032  1.000 8.501  0 153 PRO A C   1 ? 
ATOM   1120 O  O   . PRO A 1 153 ? -7.997  -8.627  28.328  1.000 8.689  0 153 PRO A O   1 ? 
ATOM   1121 C  CB  . PRO A 1 153 ? -7.263  -9.272  31.189  1.000 9.082  0 153 PRO A CB  1 ? 
ATOM   1122 C  CG  . PRO A 1 153 ? -5.823  -9.622  31.461  1.000 8.943  0 153 PRO A CG  1 ? 
ATOM   1123 C  CD  . PRO A 1 153 ? -5.236  -10.282 30.234  1.000 8.261  0 153 PRO A CD  1 ? 
ATOM   1124 N  N   . GLY A 1 154 ? -9.823  -9.820  28.940  1.000 9.065  0 154 GLY A N   1 ? 
ATOM   1125 C  CA  . GLY A 1 154 ? -10.784 -9.068  28.150  1.000 10.146 0 154 GLY A CA  1 ? 
ATOM   1126 C  C   . GLY A 1 154 ? -10.625 -9.277  26.646  1.000 9.887  0 154 GLY A C   1 ? 
ATOM   1127 O  O   . GLY A 1 154 ? -11.314 -8.590  25.901  1.000 11.243 0 154 GLY A O   1 ? 
ATOM   1128 N  N   . GLN A 1 155 ? -9.803  -10.244 26.190  1.000 8.404  0 155 GLN A N   1 ? 
ATOM   1129 C  CA  . GLN A 1 155 ? -9.529  -10.373 24.752  1.000 7.514  0 155 GLN A CA  1 ? 
ATOM   1130 C  C   . GLN A 1 155 ? -9.887  -11.734 24.156  1.000 6.871  0 155 GLN A C   1 ? 
ATOM   1131 O  O   . GLN A 1 155 ? -9.887  -11.877 22.930  1.000 7.149  0 155 GLN A O   1 ? 
ATOM   1132 C  CB  . GLN A 1 155 ? -8.039  -10.165 24.495  1.000 7.943  0 155 GLN A CB  1 ? 
ATOM   1133 C  CG  . GLN A 1 155 ? -7.531  -8.798  24.944  1.000 9.209  0 155 GLN A CG  1 ? 
ATOM   1134 C  CD  . GLN A 1 155 ? -6.036  -8.710  25.168  1.000 10.452 0 155 GLN A CD  1 ? 
ATOM   1135 O  OE1 . GLN A 1 155 ? -5.255  -8.721  24.224  1.000 12.444 0 155 GLN A OE1 1 ? 
ATOM   1136 N  NE2 . GLN A 1 155 ? -5.631  -8.613  26.439  1.000 12.155 0 155 GLN A NE2 1 ? 
ATOM   1137 N  N   . ILE A 1 156 ? -10.049 -12.777 24.976  1.000 6.729  0 156 ILE A N   1 ? 
ATOM   1138 C  CA  . ILE A 1 156 ? -10.255 -14.116 24.456  1.000 6.395  0 156 ILE A CA  1 ? 
ATOM   1139 C  C   . ILE A 1 156 ? -11.749 -14.376 24.307  1.000 6.624  0 156 ILE A C   1 ? 
ATOM   1140 O  O   . ILE A 1 156 ? -12.497 -14.341 25.298  1.000 7.065  0 156 ILE A O   1 ? 
ATOM   1141 C  CB  . ILE A 1 156 ? -9.555  -15.134 25.370  1.000 6.085  0 156 ILE A CB  1 ? 
ATOM   1142 C  CG1 . ILE A 1 156 ? -8.102  -14.851 25.548  1.000 5.691  0 156 ILE A CG1 1 ? 
ATOM   1143 C  CG2 . ILE A 1 156 ? -9.811  -16.544 24.858  1.000 5.908  0 156 ILE A CG2 1 ? 
ATOM   1144 C  CD1 . ILE A 1 156 ? -7.295  -14.864 24.256  1.000 5.406  0 156 ILE A CD1 1 ? 
ATOM   1145 N  N   . THR A 1 157 ? -12.190 -14.683 23.075  1.000 5.740  0 157 THR A N   1 ? 
ATOM   1146 C  CA  . THR A 1 157 ? -13.587 -15.035 22.813  1.000 5.782  0 157 THR A CA  1 ? 
ATOM   1147 C  C   . THR A 1 157 ? -13.730 -16.553 22.745  1.000 5.856  0 157 THR A C   1 ? 
ATOM   1148 O  O   . THR A 1 157 ? -12.749 -17.293 22.740  1.000 6.773  0 157 THR A O   1 ? 
ATOM   1149 C  CB  . THR A 1 157 ? -14.073 -14.378 21.516  1.000 5.729  0 157 THR A CB  1 ? 
ATOM   1150 O  OG1 . THR A 1 157 ? -13.512 -15.151 20.457  1.000 6.114  0 157 THR A OG1 1 ? 
ATOM   1151 C  CG2 . THR A 1 157 ? -13.704 -12.907 21.467  1.000 5.666  0 157 THR A CG2 1 ? 
ATOM   1152 N  N   . SER A 1 158 ? -14.974 -16.997 22.646  1.000 6.640  0 158 SER A N   1 ? 
ATOM   1153 C  CA  . SER A 1 158 ? -15.280 -18.402 22.523  1.000 6.933  0 158 SER A CA  1 ? 
ATOM   1154 C  C   . SER A 1 158 ? -14.788 -18.997 21.206  1.000 6.218  0 158 SER A C   1 ? 
ATOM   1155 O  O   . SER A 1 158 ? -14.804 -20.218 21.058  1.000 6.711  0 158 SER A O   1 ? 
ATOM   1156 C  CB  . SER A 1 158 ? -16.763 -18.613 22.673  1.000 8.210  0 158 SER A CB  1 ? 
ATOM   1157 O  OG  . SER A 1 158 ? -17.446 -18.009 21.583  1.000 10.717 0 158 SER A OG  1 ? 
ATOM   1158 N  N   . ASN A 1 159 ? -14.264 -18.150 20.303  1.000 5.311  0 159 ASN A N   1 ? 
ATOM   1159 C  CA  . ASN A 1 159 ? -13.763 -18.596 19.005  1.000 4.864  0 159 ASN A CA  1 ? 
ATOM   1160 C  C   . ASN A 1 159 ? -12.242 -18.613 18.993  1.000 4.539  0 159 ASN A C   1 ? 
ATOM   1161 O  O   . ASN A 1 159 ? -11.637 -18.723 17.927  1.000 3.823  0 159 ASN A O   1 ? 
ATOM   1162 C  CB  . ASN A 1 159 ? -14.244 -17.689 17.885  1.000 4.598  0 159 ASN A CB  1 ? 
ATOM   1163 C  CG  . ASN A 1 159 ? -15.744 -17.678 17.808  1.000 4.438  0 159 ASN A CG  1 ? 
ATOM   1164 O  OD1 . ASN A 1 159 ? -16.366 -18.745 17.747  1.000 4.762  0 159 ASN A OD1 1 ? 
ATOM   1165 N  ND2 . ASN A 1 159 ? -16.350 -16.511 17.863  1.000 4.853  0 159 ASN A ND2 1 ? 
ATOM   1166 N  N   . MET A 1 160 ? -11.622 -18.562 20.198  1.000 4.367  0 160 MET A N   1 ? 
ATOM   1167 C  CA  . MET A 1 160 ? -10.170 -18.525 20.320  1.000 4.770  0 160 MET A CA  1 ? 
ATOM   1168 C  C   . MET A 1 160 ? -9.745  -19.554 21.351  1.000 5.340  0 160 MET A C   1 ? 
ATOM   1169 O  O   . MET A 1 160 ? -10.473 -19.813 22.305  1.000 6.001  0 160 MET A O   1 ? 
ATOM   1170 C  CB  . MET A 1 160 ? -9.691  -17.142 20.750  1.000 4.773  0 160 MET A CB  1 ? 
ATOM   1171 C  CG  . MET A 1 160 ? -10.078 -16.051 19.783  1.000 4.941  0 160 MET A CG  1 ? 
ATOM   1172 S  SD  . MET A 1 160 ? -9.670  -14.454 20.500  1.000 4.986  0 160 MET A SD  1 ? 
ATOM   1173 C  CE  . MET A 1 160 ? -10.605 -13.417 19.359  1.000 5.502  0 160 MET A CE  1 ? 
ATOM   1174 N  N   . PHE A 1 161 ? -8.548  -20.101 21.182  1.000 5.059  0 161 PHE A N   1 ? 
ATOM   1175 C  CA  . PHE A 1 161 ? -7.898  -20.821 22.273  1.000 5.032  0 161 PHE A CA  1 ? 
ATOM   1176 C  C   . PHE A 1 161 ? -6.408  -20.515 22.241  1.000 4.875  0 161 PHE A C   1 ? 
ATOM   1177 O  O   . PHE A 1 161 ? -5.866  -20.037 21.231  1.000 4.969  0 161 PHE A O   1 ? 
ATOM   1178 C  CB  . PHE A 1 161 ? -8.166  -22.316 22.131  1.000 4.707  0 161 PHE A CB  1 ? 
ATOM   1179 C  CG  . PHE A 1 161 ? -7.468  -22.986 20.955  1.000 4.631  0 161 PHE A CG  1 ? 
ATOM   1180 C  CD1 . PHE A 1 161 ? -6.204  -23.518 21.093  1.000 4.800  0 161 PHE A CD1 1 ? 
ATOM   1181 C  CD2 . PHE A 1 161 ? -8.101  -23.096 19.719  1.000 4.799  0 161 PHE A CD2 1 ? 
ATOM   1182 C  CE1 . PHE A 1 161 ? -5.583  -24.193 20.070  1.000 4.716  0 161 PHE A CE1 1 ? 
ATOM   1183 C  CE2 . PHE A 1 161 ? -7.466  -23.762 18.683  1.000 4.763  0 161 PHE A CE2 1 ? 
ATOM   1184 C  CZ  . PHE A 1 161 ? -6.224  -24.308 18.848  1.000 4.694  0 161 PHE A CZ  1 ? 
ATOM   1185 N  N   . CYS A 1 162 ? -5.754  -20.762 23.378  1.000 4.502  0 162 CYS A N   1 ? 
ATOM   1186 C  CA  . CYS A 1 162 ? -4.332  -20.548 23.532  1.000 4.638  0 162 CYS A CA  1 ? 
ATOM   1187 C  C   . CYS A 1 162 ? -3.649  -21.902 23.430  1.000 4.399  0 162 CYS A C   1 ? 
ATOM   1188 O  O   . CYS A 1 162 ? -4.179  -22.937 23.893  1.000 3.789  0 162 CYS A O   1 ? 
ATOM   1189 C  CB  . CYS A 1 162 ? -4.000  -19.954 24.895  1.000 4.585  0 162 CYS A CB  1 ? 
ATOM   1190 S  SG  . CYS A 1 162 ? -4.435  -18.213 25.070  1.000 5.156  0 162 CYS A SG  1 ? 
ATOM   1191 N  N   . ALA A 1 163 ? -2.478  -21.889 22.808  1.000 4.366  0 163 ALA A N   1 ? 
ATOM   1192 C  CA  . ALA A 1 163 ? -1.593  -23.053 22.870  1.000 4.457  0 163 ALA A CA  1 ? 
ATOM   1193 C  C   . ALA A 1 163 ? -0.148  -22.623 22.927  1.000 4.497  0 163 ALA A C   1 ? 
ATOM   1194 O  O   . ALA A 1 163 ? 0.162   -21.532 22.490  1.000 4.394  0 163 ALA A O   1 ? 
ATOM   1195 C  CB  . ALA A 1 163 ? -1.817  -23.906 21.658  1.000 4.476  0 163 ALA A CB  1 ? 
ATOM   1196 N  N   . GLY A 1 164 ? 0.688   -23.444 23.561  1.000 4.813  0 164 GLY A N   1 ? 
ATOM   1197 C  CA  . GLY A 1 164 ? 2.088   -23.129 23.766  1.000 5.331  0 164 GLY A CA  1 ? 
ATOM   1198 C  C   . GLY A 1 164 ? 2.523   -23.299 25.217  1.000 6.330  0 164 GLY A C   1 ? 
ATOM   1199 O  O   . GLY A 1 164 ? 2.107   -24.226 25.919  1.000 7.033  0 164 GLY A O   1 ? 
ATOM   1200 N  N   . TYR A 1 165 ? 3.419   -22.396 25.616  1.000 7.131  0 165 TYR A N   1 ? 
ATOM   1201 C  CA  . TYR A 1 165 ? 4.173   -22.541 26.847  1.000 8.428  0 165 TYR A CA  1 ? 
ATOM   1202 C  C   . TYR A 1 165 ? 4.182   -21.203 27.571  1.000 8.948  0 165 TYR A C   1 ? 
ATOM   1203 O  O   . TYR A 1 165 ? 4.729   -20.230 27.066  1.000 10.455 0 165 TYR A O   1 ? 
ATOM   1204 C  CB  . TYR A 1 165 ? 5.571   -23.038 26.470  1.000 9.309  0 165 TYR A CB  1 ? 
ATOM   1205 C  CG  . TYR A 1 165 ? 5.562   -24.392 25.792  1.000 9.474  0 165 TYR A CG  1 ? 
ATOM   1206 C  CD1 . TYR A 1 165 ? 5.652   -25.566 26.532  1.000 9.663  0 165 TYR A CD1 1 ? 
ATOM   1207 C  CD2 . TYR A 1 165 ? 5.479   -24.498 24.407  1.000 9.668  0 165 TYR A CD2 1 ? 
ATOM   1208 C  CE1 . TYR A 1 165 ? 5.625   -26.808 25.925  1.000 9.999  0 165 TYR A CE1 1 ? 
ATOM   1209 C  CE2 . TYR A 1 165 ? 5.470   -25.739 23.792  1.000 9.927  0 165 TYR A CE2 1 ? 
ATOM   1210 C  CZ  . TYR A 1 165 ? 5.505   -26.901 24.550  1.000 9.519  0 165 TYR A CZ  1 ? 
ATOM   1211 O  OH  . TYR A 1 165 ? 5.476   -28.177 24.034  1.000 8.997  0 165 TYR A OH  1 ? 
ATOM   1212 N  N   . LEU A 1 166 ? 3.648   -21.148 28.795  1.000 8.333  0 166 LEU A N   1 ? 
ATOM   1213 C  CA  . LEU A 1 166 ? 3.649   -19.872 29.509  1.000 9.215  0 166 LEU A CA  1 ? 
ATOM   1214 C  C   . LEU A 1 166 ? 5.049   -19.432 29.927  1.000 10.764 0 166 LEU A C   1 ? 
ATOM   1215 O  O   . LEU A 1 166 ? 5.265   -18.242 30.179  1.000 11.501 0 166 LEU A O   1 ? 
ATOM   1216 C  CB  . LEU A 1 166 ? 2.754   -19.957 30.739  1.000 9.838  0 166 LEU A CB  1 ? 
ATOM   1217 C  CG  . LEU A 1 166 ? 1.282   -20.289 30.503  1.000 10.139 0 166 LEU A CG  1 ? 
ATOM   1218 C  CD1 . LEU A 1 166 ? 0.524   -20.385 31.820  1.000 11.224 0 166 LEU A CD1 1 ? 
ATOM   1219 C  CD2 . LEU A 1 166 ? 0.673   -19.212 29.659  1.000 10.216 0 166 LEU A CD2 1 ? 
ATOM   1220 N  N   . GLU A 1 167 ? 6.023   -20.351 29.930  1.000 11.826 0 167 GLU A N   1 ? 
ATOM   1221 C  CA  . GLU A 1 167 ? 7.377   -19.986 30.314  1.000 13.421 0 167 GLU A CA  1 ? 
ATOM   1222 C  C   . GLU A 1 167 ? 8.063   -19.172 29.226  1.000 12.988 0 167 GLU A C   1 ? 
ATOM   1223 O  O   . GLU A 1 167 ? 9.063   -18.523 29.510  1.000 14.414 0 167 GLU A O   1 ? 
ATOM   1224 C  CB  . GLU A 1 167 ? 8.243   -21.171 30.737  1.000 15.712 0 167 GLU A CB  1 ? 
ATOM   1225 C  CG  . GLU A 1 167 ? 8.430   -22.238 29.660  1.000 18.911 0 167 GLU A CG  1 ? 
ATOM   1226 C  CD  . GLU A 1 167 ? 7.429   -23.393 29.678  1.000 19.484 0 167 GLU A CD  1 ? 
ATOM   1227 O  OE1 . GLU A 1 167 ? 7.902   -24.543 29.419  1.000 22.625 0 167 GLU A OE1 1 ? 
ATOM   1228 O  OE2 . GLU A 1 167 ? 6.197   -23.161 29.867  1.000 21.572 0 167 GLU A OE2 1 ? 
ATOM   1229 N  N   . GLY A 1 168 ? 7.539   -19.223 28.001  1.000 11.238 0 168 GLY A N   1 ? 
ATOM   1230 C  CA  . GLY A 1 168 ? 8.128   -18.500 26.881  1.000 11.173 0 168 GLY A CA  1 ? 
ATOM   1231 C  C   . GLY A 1 168 ? 9.121   -19.398 26.135  1.000 10.480 0 168 GLY A C   1 ? 
ATOM   1232 O  O   . GLY A 1 168 ? 9.385   -20.534 26.532  1.000 12.070 0 168 GLY A O   1 ? 
ATOM   1233 N  N   . GLY A 1 169 ? 9.621   -18.884 25.009  1.000 8.560  0 169 GLY A N   1 ? 
ATOM   1234 C  CA  . GLY A 1 169 ? 10.696  -19.522 24.259  1.000 7.859  0 169 GLY A CA  1 ? 
ATOM   1235 C  C   . GLY A 1 169 ? 10.189  -20.342 23.067  1.000 7.301  0 169 GLY A C   1 ? 
ATOM   1236 O  O   . GLY A 1 169 ? 10.963  -20.659 22.171  1.000 7.154  0 169 GLY A O   1 ? 
ATOM   1237 N  N   . LYS A 1 170 ? 8.917   -20.723 23.059  1.000 6.861  0 170 LYS A N   1 ? 
ATOM   1238 C  CA  . LYS A 1 170 ? 8.377   -21.616 22.039  1.000 7.233  0 170 LYS A CA  1 ? 
ATOM   1239 C  C   . LYS A 1 170 ? 6.979   -21.134 21.625  1.000 6.131  0 170 LYS A C   1 ? 
ATOM   1240 O  O   . LYS A 1 170 ? 5.999   -21.144 22.415  1.000 5.651  0 170 LYS A O   1 ? 
ATOM   1241 C  CB  . LYS A 1 170 ? 8.283   -23.059 22.560  1.000 8.328  0 170 LYS A CB  1 ? 
ATOM   1242 C  CG  . LYS A 1 170 ? 9.608   -23.754 22.747  1.000 11.304 0 170 LYS A CG  1 ? 
ATOM   1243 C  CD  . LYS A 1 170 ? 9.594   -25.210 23.213  1.000 14.845 0 170 LYS A CD  1 ? 
ATOM   1244 C  CE  . LYS A 1 170 ? 9.266   -25.390 24.632  1.000 19.690 0 170 LYS A CE  1 ? 
ATOM   1245 N  NZ  . LYS A 1 170 ? 9.249   -26.839 24.913  1.000 24.091 0 170 LYS A NZ  1 ? 
ATOM   1246 N  N   . ASP A 1 171 ? 6.870   -20.704 20.362  1.000 5.422  0 171 ASP A N   1 ? 
ATOM   1247 C  CA  . ASP A 1 171 ? 5.641   -20.099 19.890  1.000 5.028  0 171 ASP A CA  1 ? 
ATOM   1248 C  C   . ASP A 1 171 ? 5.596   -20.049 18.361  1.000 5.045  0 171 ASP A C   1 ? 
ATOM   1249 O  O   . ASP A 1 171 ? 6.620   -20.197 17.704  1.000 5.663  0 171 ASP A O   1 ? 
ATOM   1250 C  CB  . ASP A 1 171 ? 5.501   -18.698 20.481  1.000 4.835  0 171 ASP A CB  1 ? 
ATOM   1251 C  CG  . ASP A 1 171 ? 4.125   -18.032 20.510  1.000 4.847  0 171 ASP A CG  1 ? 
ATOM   1252 O  OD1 . ASP A 1 171 ? 3.118   -18.667 20.104  1.000 4.649  0 171 ASP A OD1 1 ? 
ATOM   1253 O  OD2 . ASP A 1 171 ? 4.087   -16.854 20.933  1.000 4.911  0 171 ASP A OD2 1 ? 
ATOM   1254 N  N   . SER A 1 172 ? 4.429   -19.754 17.799  1.000 5.172  0 172 SER A N   1 ? 
ATOM   1255 C  CA  . SER A 1 172 ? 4.373   -19.232 16.441  1.000 5.123  0 172 SER A CA  1 ? 
ATOM   1256 C  C   . SER A 1 172 ? 4.611   -17.721 16.431  1.000 4.784  0 172 SER A C   1 ? 
ATOM   1257 O  O   . SER A 1 172 ? 4.751   -17.104 17.490  1.000 4.544  0 172 SER A O   1 ? 
ATOM   1258 C  CB  . SER A 1 172 ? 3.056   -19.618 15.790  1.000 5.279  0 172 SER A CB  1 ? 
ATOM   1259 O  OG  . SER A 1 172 ? 1.932   -19.147 16.529  1.000 5.172  0 172 SER A OG  1 ? 
ATOM   1260 N  N   . CYS A 1 173 ? 4.704   -17.118 15.231  1.000 5.045  0 173 CYS A N   1 ? 
ATOM   1261 C  CA  . CYS A 1 173 ? 5.166   -15.746 15.104  1.000 5.415  0 173 CYS A CA  1 ? 
ATOM   1262 C  C   . CYS A 1 173 ? 4.691   -15.148 13.774  1.000 5.783  0 173 CYS A C   1 ? 
ATOM   1263 O  O   . CYS A 1 173 ? 4.048   -15.832 12.972  1.000 5.292  0 173 CYS A O   1 ? 
ATOM   1264 C  CB  . CYS A 1 173 ? 6.672   -15.706 15.346  1.000 5.808  0 173 CYS A CB  1 ? 
ATOM   1265 S  SG  . CYS A 1 173 ? 7.343   -14.072 15.768  1.000 6.509  0 173 CYS A SG  1 ? 
ATOM   1266 N  N   . GLN A 1 174 ? 4.989   -13.856 13.580  1.000 6.807  0 174 GLN A N   1 ? 
ATOM   1267 C  CA  . GLN A 1 174 ? 4.730   -13.151 12.334  1.000 7.655  0 174 GLN A CA  1 ? 
ATOM   1268 C  C   . GLN A 1 174 ? 5.140   -14.038 11.162  1.000 6.486  0 174 GLN A C   1 ? 
ATOM   1269 O  O   . GLN A 1 174 ? 6.299   -14.514 11.109  1.000 5.997  0 174 GLN A O   1 ? 
ATOM   1270 C  CB  . GLN A 1 174 ? 5.512   -11.829 12.311  1.000 9.971  0 174 GLN A CB  1 ? 
ATOM   1271 C  CG  . GLN A 1 174 ? 4.826   -10.680 13.046  1.000 12.982 0 174 GLN A CG  1 ? 
ATOM   1272 C  CD  . GLN A 1 174 ? 4.768   -10.801 14.565  1.000 14.091 0 174 GLN A CD  1 ? 
ATOM   1273 O  OE1 . GLN A 1 174 ? 5.746   -11.102 15.244  1.000 16.173 0 174 GLN A OE1 1 ? 
ATOM   1274 N  NE2 . GLN A 1 174 ? 3.614   -10.511 15.131  1.000 16.883 0 174 GLN A NE2 1 ? 
ATOM   1275 N  N   . GLY A 1 175 ? 4.212   -14.213 10.208  1.000 5.856  0 175 GLY A N   1 ? 
ATOM   1276 C  CA  . GLY A 1 175 ? 4.531   -14.967 9.001   1.000 5.249  0 175 GLY A CA  1 ? 
ATOM   1277 C  C   . GLY A 1 175 ? 4.041   -16.420 9.084   1.000 4.728  0 175 GLY A C   1 ? 
ATOM   1278 O  O   . GLY A 1 175 ? 3.914   -17.126 8.070   1.000 4.907  0 175 GLY A O   1 ? 
ATOM   1279 N  N   . ASP A 1 176 ? 3.719   -16.843 10.306  1.000 4.535  0 176 ASP A N   1 ? 
ATOM   1280 C  CA  . ASP A 1 176 ? 3.075   -18.124 10.516  1.000 4.348  0 176 ASP A CA  1 ? 
ATOM   1281 C  C   . ASP A 1 176 ? 1.546   -18.032 10.405  1.000 4.253  0 176 ASP A C   1 ? 
ATOM   1282 O  O   . ASP A 1 176 ? 0.863   -19.060 10.278  1.000 4.384  0 176 ASP A O   1 ? 
ATOM   1283 C  CB  . ASP A 1 176 ? 3.403   -18.712 11.873  1.000 4.220  0 176 ASP A CB  1 ? 
ATOM   1284 C  CG  . ASP A 1 176 ? 4.848   -19.174 12.066  1.000 4.000  0 176 ASP A CG  1 ? 
ATOM   1285 O  OD1 . ASP A 1 176 ? 5.403   -19.751 11.078  1.000 3.584  0 176 ASP A OD1 1 ? 
ATOM   1286 O  OD2 . ASP A 1 176 ? 5.436   -18.881 13.162  1.000 4.545  0 176 ASP A OD2 1 ? 
ATOM   1287 N  N   . SER A 1 177 ? 1.034   -16.806 10.476  1.000 4.244  0 177 SER A N   1 ? 
ATOM   1288 C  CA  . SER A 1 177 ? -0.392  -16.506 10.501  1.000 4.501  0 177 SER A CA  1 ? 
ATOM   1289 C  C   . SER A 1 177 ? -1.113  -17.272 9.426   1.000 4.105  0 177 SER A C   1 ? 
ATOM   1290 O  O   . SER A 1 177 ? -0.641  -17.320 8.295   1.000 4.013  0 177 SER A O   1 ? 
ATOM   1291 C  CB  . SER A 1 177 ? -0.631  -15.058 10.328  1.000 5.273  0 177 SER A CB  1 ? 
ATOM   1292 O  OG  . SER A 1 177 ? -0.155  -14.391 11.461  1.000 6.390  0 177 SER A OG  1 ? 
ATOM   1293 N  N   . GLY A 1 178 ? -2.289  -17.791 9.778   1.000 3.812  0 178 GLY A N   1 ? 
ATOM   1294 C  CA  . GLY A 1 178 ? -3.125  -18.476 8.795   1.000 3.837  0 178 GLY A CA  1 ? 
ATOM   1295 C  C   . GLY A 1 178 ? -2.874  -19.983 8.711   1.000 3.853  0 178 GLY A C   1 ? 
ATOM   1296 O  O   . GLY A 1 178 ? -3.649  -20.724 8.112   1.000 3.785  0 178 GLY A O   1 ? 
ATOM   1297 N  N   . GLY A 1 179 ? -1.728  -20.394 9.270   1.000 4.159  0 179 GLY A N   1 ? 
ATOM   1298 C  CA  . GLY A 1 179 ? -1.263  -21.769 9.141   1.000 4.081  0 179 GLY A CA  1 ? 
ATOM   1299 C  C   . GLY A 1 179 ? -1.909  -22.685 10.181  1.000 4.066  0 179 GLY A C   1 ? 
ATOM   1300 O  O   . GLY A 1 179 ? -2.719  -22.254 11.036  1.000 4.307  0 179 GLY A O   1 ? 
ATOM   1301 N  N   . PRO A 1 180 ? -1.574  -23.991 10.127  1.000 3.577  0 180 PRO A N   1 ? 
ATOM   1302 C  CA  . PRO A 1 180 ? -2.287  -25.028 10.872  1.000 3.843  0 180 PRO A CA  1 ? 
ATOM   1303 C  C   . PRO A 1 180 ? -1.831  -25.244 12.308  1.000 3.757  0 180 PRO A C   1 ? 
ATOM   1304 O  O   . PRO A 1 180 ? -0.648  -25.118 12.637  1.000 4.076  0 180 PRO A O   1 ? 
ATOM   1305 C  CB  . PRO A 1 180 ? -1.986  -26.258 10.045  1.000 3.649  0 180 PRO A CB  1 ? 
ATOM   1306 C  CG  . PRO A 1 180 ? -0.593  -26.002 9.500   1.000 3.553  0 180 PRO A CG  1 ? 
ATOM   1307 C  CD  . PRO A 1 180 ? -0.627  -24.536 9.154   1.000 3.493  0 180 PRO A CD  1 ? 
ATOM   1308 N  N   . VAL A 1 181 ? -2.799  -25.673 13.122  1.000 4.066  0 181 VAL A N   1 ? 
ATOM   1309 C  CA  . VAL A 1 181 ? -2.597  -26.307 14.405  1.000 4.110  0 181 VAL A CA  1 ? 
ATOM   1310 C  C   . VAL A 1 181 ? -3.322  -27.638 14.297  1.000 4.407  0 181 VAL A C   1 ? 
ATOM   1311 O  O   . VAL A 1 181 ? -4.538  -27.607 14.198  1.000 3.959  0 181 VAL A O   1 ? 
ATOM   1312 C  CB  . VAL A 1 181 ? -3.150  -25.534 15.623  1.000 4.328  0 181 VAL A CB  1 ? 
ATOM   1313 C  CG1 . VAL A 1 181 ? -2.888  -26.291 16.924  1.000 4.627  0 181 VAL A CG1 1 ? 
ATOM   1314 C  CG2 . VAL A 1 181 ? -2.644  -24.085 15.646  1.000 4.364  0 181 VAL A CG2 1 ? 
ATOM   1315 N  N   . VAL A 1 182 ? -2.590  -28.760 14.255  1.000 4.429  0 182 VAL A N   1 ? 
ATOM   1316 C  CA  . VAL A 1 182 ? -3.187  -30.060 13.968  1.000 4.528  0 182 VAL A CA  1 ? 
ATOM   1317 C  C   . VAL A 1 182 ? -2.973  -30.930 15.192  1.000 4.575  0 182 VAL A C   1 ? 
ATOM   1318 O  O   . VAL A 1 182 ? -1.866  -31.011 15.734  1.000 4.481  0 182 VAL A O   1 ? 
ATOM   1319 C  CB  . VAL A 1 182 ? -2.585  -30.701 12.698  1.000 4.738  0 182 VAL A CB  1 ? 
ATOM   1320 C  CG1 . VAL A 1 182 ? -2.837  -32.211 12.651  1.000 5.079  0 182 VAL A CG1 1 ? 
ATOM   1321 C  CG2 . VAL A 1 182 ? -3.095  -30.007 11.451  1.000 5.284  0 182 VAL A CG2 1 ? 
ATOM   1322 N  N   . CYS A 1 183 ? -4.088  -31.471 15.716  1.000 4.888  0 183 CYS A N   1 ? 
ATOM   1323 C  CA  . CYS A 1 183 ? -4.061  -32.278 16.926  1.000 6.341  0 183 CYS A CA  1 ? 
ATOM   1324 C  C   . CYS A 1 183 ? -4.732  -33.607 16.614  1.000 6.547  0 183 CYS A C   1 ? 
ATOM   1325 O  O   . CYS A 1 183 ? -5.873  -33.634 16.184  1.000 7.394  0 183 CYS A O   1 ? 
ATOM   1326 C  CB  . CYS A 1 183 ? -4.748  -31.578 18.088  1.000 6.506  0 183 CYS A CB  1 ? 
ATOM   1327 S  SG  . CYS A 1 183 ? -4.529  -29.782 18.132  1.000 7.049  0 183 CYS A SG  1 ? 
ATOM   1328 N  N   . SER A 1 184 ? -3.990  -34.690 16.872  1.000 7.489  0 184 SER A N   1 ? 
ATOM   1329 C  CA  . SER A 1 184 ? -4.436  -36.039 16.567  1.000 8.815  0 184 SER A CA  1 ? 
ATOM   1330 C  C   . SER A 1 184 ? -5.022  -36.121 15.157  1.000 8.211  0 184 SER A C   1 ? 
ATOM   1331 O  O   . SER A 1 184 ? -6.084  -36.697 14.908  1.000 9.233  0 184 SER A O   1 ? 
ATOM   1332 C  CB  . SER A 1 184 ? -5.430  -36.502 17.592  1.000 10.638 0 184 SER A CB  1 ? 
ATOM   1333 O  OG  . SER A 1 184 ? -4.864  -36.421 18.882  1.000 12.503 0 184 SER A OG  1 ? 
ATOM   1334 N  N   . GLY A 1 185 ? -4.363  -35.487 14.185  1.000 8.131  0 185 GLY A N   1 ? 
ATOM   1335 C  CA  . GLY A 1 185 ? -4.786  -35.634 12.811  1.000 7.768  0 185 GLY A CA  1 ? 
ATOM   1336 C  C   . GLY A 1 185 ? -5.919  -34.725 12.375  1.000 7.410  0 185 GLY A C   1 ? 
ATOM   1337 O  O   . GLY A 1 185 ? -6.416  -34.918 11.263  1.000 7.844  0 185 GLY A O   1 ? 
ATOM   1338 N  N   . LYS A 1 186 ? -6.318  -33.747 13.204  1.000 7.006  0 186 LYS A N   1 ? 
ATOM   1339 C  CA  . LYS A 1 186 ? -7.456  -32.898 12.876  1.000 6.551  0 186 LYS A CA  1 ? 
ATOM   1340 C  C   . LYS A 1 186 ? -6.994  -31.447 12.958  1.000 5.642  0 186 LYS A C   1 ? 
ATOM   1341 O  O   . LYS A 1 186 ? -6.248  -31.074 13.845  1.000 5.542  0 186 LYS A O   1 ? 
ATOM   1342 C  CB  . LYS A 1 186 ? -8.630  -33.119 13.859  1.000 8.286  0 186 LYS A CB  1 ? 
ATOM   1343 C  CG  . LYS A 1 186 ? -9.052  -34.560 14.082  1.000 10.189 0 186 LYS A CG  1 ? 
ATOM   1344 C  CD  . LYS A 1 186 ? -9.527  -35.288 12.836  1.000 12.259 0 186 LYS A CD  1 ? 
ATOM   1345 C  CE  . LYS A 1 186 ? -10.008 -36.658 13.201  1.000 15.111 0 186 LYS A CE  1 ? 
ATOM   1346 N  NZ  . LYS A 1 186 ? -10.765 -37.261 12.098  1.000 19.082 0 186 LYS A NZ  1 ? 
ATOM   1347 N  N   . LEU A 1 187 ? -7.516  -30.618 12.068  1.000 4.939  0 187 LEU A N   1 ? 
ATOM   1348 C  CA  . LEU A 1 187 ? -7.193  -29.208 12.030  1.000 5.134  0 187 LEU A CA  1 ? 
ATOM   1349 C  C   . LEU A 1 187 ? -8.014  -28.521 13.127  1.000 5.068  0 187 LEU A C   1 ? 
ATOM   1350 O  O   . LEU A 1 187 ? -9.176  -28.249 12.928  1.000 6.305  0 187 LEU A O   1 ? 
ATOM   1351 C  CB  . LEU A 1 187 ? -7.455  -28.619 10.629  1.000 5.319  0 187 LEU A CB  1 ? 
ATOM   1352 C  CG  . LEU A 1 187 ? -7.108  -27.132 10.461  1.000 5.697  0 187 LEU A CG  1 ? 
ATOM   1353 C  CD1 . LEU A 1 187 ? -5.641  -26.916 10.559  1.000 5.829  0 187 LEU A CD1 1 ? 
ATOM   1354 C  CD2 . LEU A 1 187 ? -7.621  -26.565 9.180   1.000 6.108  0 187 LEU A CD2 1 ? 
ATOM   1355 N  N   . GLN A 1 188 ? -7.420  -28.238 14.280  1.000 4.726  0 188 GLN A N   1 ? 
ATOM   1356 C  CA  . GLN A 1 188 ? -8.148  -27.656 15.398  1.000 4.801  0 188 GLN A CA  1 ? 
ATOM   1357 C  C   . GLN A 1 188 ? -7.923  -26.143 15.477  1.000 4.540  0 188 GLN A C   1 ? 
ATOM   1358 O  O   . GLN A 1 188 ? -8.714  -25.449 16.100  1.000 4.707  0 188 GLN A O   1 ? 
ATOM   1359 C  CB  . GLN A 1 188 ? -7.764  -28.333 16.716  1.000 5.208  0 188 GLN A CB  1 ? 
ATOM   1360 C  CG  . GLN A 1 188 ? -8.200  -29.791 16.819  1.000 5.455  0 188 GLN A CG  1 ? 
ATOM   1361 C  CD  . GLN A 1 188 ? -9.697  -30.015 17.027  1.000 5.710  0 188 GLN A CD  1 ? 
ATOM   1362 O  OE1 . GLN A 1 188 ? -10.487 -29.077 17.035  1.000 6.418  0 188 GLN A OE1 1 ? 
ATOM   1363 N  NE2 . GLN A 1 188 ? -10.114 -31.272 17.203  1.000 5.770  0 188 GLN A NE2 1 ? 
ATOM   1364 N  N   . GLY A 1 189 ? -6.849  -25.618 14.866  1.000 4.249  0 189 GLY A N   1 ? 
ATOM   1365 C  CA  . GLY A 1 189 ? -6.599  -24.201 15.002  1.000 4.157  0 189 GLY A CA  1 ? 
ATOM   1366 C  C   . GLY A 1 189 ? -5.935  -23.564 13.800  1.000 4.050  0 189 GLY A C   1 ? 
ATOM   1367 O  O   . GLY A 1 189 ? -5.350  -24.252 12.981  1.000 3.977  0 189 GLY A O   1 ? 
ATOM   1368 N  N   . ILE A 1 190 ? -6.049  -22.236 13.775  1.000 4.189  0 190 ILE A N   1 ? 
ATOM   1369 C  CA  . ILE A 1 190 ? -5.420  -21.394 12.788  1.000 4.058  0 190 ILE A CA  1 ? 
ATOM   1370 C  C   . ILE A 1 190 ? -4.553  -20.371 13.509  1.000 3.705  0 190 ILE A C   1 ? 
ATOM   1371 O  O   . ILE A 1 190 ? -5.014  -19.722 14.439  1.000 3.804  0 190 ILE A O   1 ? 
ATOM   1372 C  CB  . ILE A 1 190 ? -6.481  -20.709 11.926  1.000 4.257  0 190 ILE A CB  1 ? 
ATOM   1373 C  CG1 . ILE A 1 190 ? -7.436  -21.719 11.250  1.000 4.541  0 190 ILE A CG1 1 ? 
ATOM   1374 C  CG2 . ILE A 1 190 ? -5.752  -19.817 10.931  1.000 4.413  0 190 ILE A CG2 1 ? 
ATOM   1375 C  CD1 . ILE A 1 190 ? -8.678  -21.049 10.688  1.000 4.589  0 190 ILE A CD1 1 ? 
ATOM   1376 N  N   . VAL A 1 191 ? -3.283  -20.259 13.110  1.000 3.463  0 191 VAL A N   1 ? 
ATOM   1377 C  CA  . VAL A 1 191 ? -2.391  -19.260 13.698  1.000 3.343  0 191 VAL A CA  1 ? 
ATOM   1378 C  C   . VAL A 1 191 ? -3.006  -17.862 13.543  1.000 3.461  0 191 VAL A C   1 ? 
ATOM   1379 O  O   . VAL A 1 191 ? -3.254  -17.385 12.437  1.000 3.917  0 191 VAL A O   1 ? 
ATOM   1380 C  CB  . VAL A 1 191 ? -0.989  -19.294 13.078  1.000 3.337  0 191 VAL A CB  1 ? 
ATOM   1381 C  CG1 . VAL A 1 191 ? -0.091  -18.226 13.692  1.000 3.432  0 191 VAL A CG1 1 ? 
ATOM   1382 C  CG2 . VAL A 1 191 ? -0.335  -20.661 13.195  1.000 3.305  0 191 VAL A CG2 1 ? 
ATOM   1383 N  N   . SER A 1 192 ? -3.320  -17.183 14.670  1.000 3.358  0 192 SER A N   1 ? 
ATOM   1384 C  CA  . SER A 1 192 ? -4.070  -15.933 14.631  1.000 3.549  0 192 SER A CA  1 ? 
ATOM   1385 C  C   . SER A 1 192 ? -3.277  -14.757 15.213  1.000 3.839  0 192 SER A C   1 ? 
ATOM   1386 O  O   . SER A 1 192 ? -2.994  -13.777 14.516  1.000 4.795  0 192 SER A O   1 ? 
ATOM   1387 C  CB  . SER A 1 192 ? -5.449  -16.129 15.222  1.000 3.543  0 192 SER A CB  1 ? 
ATOM   1388 O  OG  . SER A 1 192 ? -6.213  -14.924 15.162  1.000 3.500  0 192 SER A OG  1 ? 
ATOM   1389 N  N   . TRP A 1 193 ? -2.955  -14.797 16.506  1.000 4.179  0 193 TRP A N   1 ? 
ATOM   1390 C  CA  . TRP A 1 193 ? -2.359  -13.625 17.139  1.000 4.590  0 193 TRP A CA  1 ? 
ATOM   1391 C  C   . TRP A 1 193 ? -1.638  -13.932 18.454  1.000 4.993  0 193 TRP A C   1 ? 
ATOM   1392 O  O   . TRP A 1 193 ? -1.627  -15.066 18.910  1.000 4.827  0 193 TRP A O   1 ? 
ATOM   1393 C  CB  . TRP A 1 193 ? -3.411  -12.523 17.314  1.000 4.384  0 193 TRP A CB  1 ? 
ATOM   1394 C  CG  . TRP A 1 193 ? -4.536  -12.764 18.284  1.000 4.450  0 193 TRP A CG  1 ? 
ATOM   1395 C  CD1 . TRP A 1 193 ? -5.727  -13.382 18.016  1.000 4.705  0 193 TRP A CD1 1 ? 
ATOM   1396 C  CD2 . TRP A 1 193 ? -4.618  -12.334 19.667  1.000 4.725  0 193 TRP A CD2 1 ? 
ATOM   1397 N  NE1 . TRP A 1 193 ? -6.555  -13.350 19.122  1.000 4.969  0 193 TRP A NE1 1 ? 
ATOM   1398 C  CE2 . TRP A 1 193 ? -5.896  -12.721 20.144  1.000 4.970  0 193 TRP A CE2 1 ? 
ATOM   1399 C  CE3 . TRP A 1 193 ? -3.749  -11.658 20.532  1.000 5.335  0 193 TRP A CE3 1 ? 
ATOM   1400 C  CZ2 . TRP A 1 193 ? -6.299  -12.457 21.450  1.000 5.310  0 193 TRP A CZ2 1 ? 
ATOM   1401 C  CZ3 . TRP A 1 193 ? -4.164  -11.399 21.819  1.000 5.615  0 193 TRP A CZ3 1 ? 
ATOM   1402 C  CH2 . TRP A 1 193 ? -5.419  -11.776 22.248  1.000 5.644  0 193 TRP A CH2 1 ? 
ATOM   1403 N  N   . GLY A 1 194 ? -1.004  -12.898 19.022  1.000 5.452  0 194 GLY A N   1 ? 
ATOM   1404 C  CA  . GLY A 1 194 ? -0.288  -13.042 20.295  1.000 6.333  0 194 GLY A CA  1 ? 
ATOM   1405 C  C   . GLY A 1 194 ? 0.494   -11.758 20.541  1.000 7.281  0 194 GLY A C   1 ? 
ATOM   1406 O  O   . GLY A 1 194 ? 0.760   -11.032 19.600  1.000 8.439  0 194 GLY A O   1 ? 
ATOM   1407 N  N   . SER A 1 195 ? 0.818   -11.467 21.802  1.000 7.503  0 195 SER A N   1 ? 
ATOM   1408 C  CA  . SER A 1 195 ? 1.628   -10.308 22.096  1.000 8.298  0 195 SER A CA  1 ? 
ATOM   1409 C  C   . SER A 1 195 ? 3.112   -10.621 21.911  1.000 7.151  0 195 SER A C   1 ? 
ATOM   1410 O  O   . SER A 1 195 ? 3.706   -11.347 22.715  1.000 7.877  0 195 SER A O   1 ? 
ATOM   1411 C  CB  . SER A 1 195 ? 1.364   -9.846  23.480  1.000 9.783  0 195 SER A CB  1 ? 
ATOM   1412 O  OG  . SER A 1 195 ? 2.191   -8.710  23.708  1.000 13.349 0 195 SER A OG  1 ? 
ATOM   1413 N  N   . GLY A 1 196 ? 3.722   -10.100 20.845  1.000 6.522  0 196 GLY A N   1 ? 
ATOM   1414 C  CA  . GLY A 1 196 ? 5.080   -10.506 20.536  1.000 6.790  0 196 GLY A CA  1 ? 
ATOM   1415 C  C   . GLY A 1 196 ? 5.053   -11.982 20.164  1.000 6.377  0 196 GLY A C   1 ? 
ATOM   1416 O  O   . GLY A 1 196 ? 4.035   -12.443 19.638  1.000 6.652  0 196 GLY A O   1 ? 
ATOM   1417 N  N   . CYS A 1 197 ? 6.189   -12.658 20.285  1.000 6.131  0 197 CYS A N   1 ? 
ATOM   1418 C  CA  . CYS A 1 197 ? 6.295   -14.078 20.047  1.000 6.228  0 197 CYS A CA  1 ? 
ATOM   1419 C  C   . CYS A 1 197 ? 7.122   -14.689 21.164  1.000 6.421  0 197 CYS A C   1 ? 
ATOM   1420 O  O   . CYS A 1 197 ? 8.181   -14.182 21.493  1.000 7.382  0 197 CYS A O   1 ? 
ATOM   1421 C  CB  . CYS A 1 197 ? 7.008   -14.320 18.723  1.000 6.271  0 197 CYS A CB  1 ? 
ATOM   1422 S  SG  . CYS A 1 197 ? 6.220   -13.460 17.334  1.000 6.817  0 197 CYS A SG  1 ? 
ATOM   1423 N  N   . ALA A 1 198 ? 6.626   -15.780 21.726  1.000 6.425  0 198 ALA A N   1 ? 
ATOM   1424 C  CA  . ALA A 1 198 ? 7.373   -16.593 22.677  1.000 6.698  0 198 ALA A CA  1 ? 
ATOM   1425 C  C   . ALA A 1 198 ? 7.777   -15.804 23.922  1.000 7.618  0 198 ALA A C   1 ? 
ATOM   1426 O  O   . ALA A 1 198 ? 8.800   -16.123 24.549  1.000 7.059  0 198 ALA A O   1 ? 
ATOM   1427 C  CB  . ALA A 1 198 ? 8.586   -17.187 22.021  1.000 7.140  0 198 ALA A CB  1 ? 
ATOM   1428 N  N   . GLN A 1 199 ? 6.953   -14.825 24.271  1.000 8.015  0 199 GLN A N   1 ? 
ATOM   1429 C  CA  . GLN A 1 199 ? 7.154   -14.042 25.475  1.000 9.008  0 199 GLN A CA  1 ? 
ATOM   1430 C  C   . GLN A 1 199 ? 6.520   -14.790 26.637  1.000 9.169  0 199 GLN A C   1 ? 
ATOM   1431 O  O   . GLN A 1 199 ? 5.473   -15.442 26.525  1.000 8.292  0 199 GLN A O   1 ? 
ATOM   1432 C  CB  . GLN A 1 199 ? 6.510   -12.664 25.321  1.000 10.116 0 199 GLN A CB  1 ? 
ATOM   1433 C  CG  . GLN A 1 199 ? 7.096   -11.827 24.182  1.000 10.675 0 199 GLN A CG  1 ? 
ATOM   1434 C  CD  . GLN A 1 199 ? 8.585   -11.624 24.337  1.000 13.482 0 199 GLN A CD  1 ? 
ATOM   1435 O  OE1 . GLN A 1 199 ? 9.047   -10.983 25.288  1.000 18.734 0 199 GLN A OE1 1 ? 
ATOM   1436 N  NE2 . GLN A 1 199 ? 9.376   -12.198 23.439  1.000 14.376 0 199 GLN A NE2 1 ? 
ATOM   1437 N  N   . LYS A 1 200 ? 7.145   -14.646 27.802  1.000 10.036 0 200 LYS A N   1 ? 
ATOM   1438 C  CA  . LYS A 1 200 ? 6.585   -15.234 29.005  1.000 11.274 0 200 LYS A CA  1 ? 
ATOM   1439 C  C   . LYS A 1 200 ? 5.178   -14.687 29.277  1.000 9.910  0 200 LYS A C   1 ? 
ATOM   1440 O  O   . LYS A 1 200 ? 4.872   -13.500 29.115  1.000 9.584  0 200 LYS A O   1 ? 
ATOM   1441 C  CB  . LYS A 1 200 ? 7.538   -14.982 30.179  1.000 13.521 0 200 LYS A CB  1 ? 
ATOM   1442 C  CG  . LYS A 1 200 ? 7.096   -15.531 31.522  1.000 17.114 0 200 LYS A CG  1 ? 
ATOM   1443 C  CD  . LYS A 1 200 ? 8.175   -15.256 32.577  1.000 21.879 0 200 LYS A CD  1 ? 
ATOM   1444 C  CE  . LYS A 1 200 ? 7.717   -14.876 33.938  1.000 26.804 0 200 LYS A CE  1 ? 
ATOM   1445 N  NZ  . LYS A 1 200 ? 6.969   -15.974 34.540  1.000 29.734 0 200 LYS A NZ  1 ? 
ATOM   1446 N  N   . ASN A 1 201 ? 4.267   -15.621 29.560  1.000 9.672  0 201 ASN A N   1 ? 
ATOM   1447 C  CA  . ASN A 1 201 ? 2.892   -15.339 29.923  1.000 10.973 0 201 ASN A CA  1 ? 
ATOM   1448 C  C   . ASN A 1 201 ? 2.066   -14.787 28.761  1.000 10.956 0 201 ASN A C   1 ? 
ATOM   1449 O  O   . ASN A 1 201 ? 0.970   -14.267 28.999  1.000 12.411 0 201 ASN A O   1 ? 
ATOM   1450 C  CB  . ASN A 1 201 ? 2.800   -14.466 31.174  1.000 12.800 0 201 ASN A CB  1 ? 
ATOM   1451 C  CG  . ASN A 1 201 ? 3.355   -15.189 32.381  1.000 16.544 0 201 ASN A CG  1 ? 
ATOM   1452 O  OD1 . ASN A 1 201 ? 4.059   -14.584 33.198  1.000 18.055 0 201 ASN A OD1 1 ? 
ATOM   1453 N  ND2 . ASN A 1 201 ? 3.053   -16.474 32.511  1.000 17.964 0 201 ASN A ND2 1 ? 
ATOM   1454 N  N   . LYS A 1 202 ? 2.578   -14.929 27.531  1.000 9.249  0 202 LYS A N   1 ? 
ATOM   1455 C  CA  . LYS A 1 202 ? 1.900   -14.454 26.339  1.000 9.840  0 202 LYS A CA  1 ? 
ATOM   1456 C  C   . LYS A 1 202 ? 1.894   -15.573 25.312  1.000 7.924  0 202 LYS A C   1 ? 
ATOM   1457 O  O   . LYS A 1 202 ? 2.562   -15.476 24.282  1.000 6.939  0 202 LYS A O   1 ? 
ATOM   1458 C  CB  . LYS A 1 202 ? 2.540   -13.175 25.815  1.000 11.106 0 202 LYS A CB  1 ? 
ATOM   1459 C  CG  . LYS A 1 202 ? 2.441   -12.008 26.833  1.000 12.030 0 202 LYS A CG  1 ? 
ATOM   1460 C  CD  . LYS A 1 202 ? 0.990   -11.529 26.991  1.000 13.912 0 202 LYS A CD  1 ? 
ATOM   1461 C  CE  . LYS A 1 202 ? 0.783   -10.356 27.880  1.000 15.311 0 202 LYS A CE  1 ? 
ATOM   1462 N  NZ  . LYS A 1 202 ? -0.644  -10.090 28.128  1.000 14.344 0 202 LYS A NZ  1 ? 
ATOM   1463 N  N   . PRO A 1 203 ? 1.078   -16.615 25.525  1.000 6.860  0 203 PRO A N   1 ? 
ATOM   1464 C  CA  . PRO A 1 203 ? 1.062   -17.737 24.595  1.000 6.377  0 203 PRO A CA  1 ? 
ATOM   1465 C  C   . PRO A 1 203 ? 0.406   -17.352 23.269  1.000 6.061  0 203 PRO A C   1 ? 
ATOM   1466 O  O   . PRO A 1 203 ? -0.213  -16.299 23.111  1.000 6.476  0 203 PRO A O   1 ? 
ATOM   1467 C  CB  . PRO A 1 203 ? 0.306   -18.785 25.384  1.000 6.633  0 203 PRO A CB  1 ? 
ATOM   1468 C  CG  . PRO A 1 203 ? -0.686  -17.994 26.166  1.000 6.734  0 203 PRO A CG  1 ? 
ATOM   1469 C  CD  . PRO A 1 203 ? 0.096   -16.774 26.609  1.000 6.437  0 203 PRO A CD  1 ? 
ATOM   1470 N  N   . GLY A 1 204 ? 0.538   -18.240 22.295  1.000 5.579  0 204 GLY A N   1 ? 
ATOM   1471 C  CA  . GLY A 1 204 ? -0.152  -18.049 21.028  1.000 5.048  0 204 GLY A CA  1 ? 
ATOM   1472 C  C   . GLY A 1 204 ? -1.666  -18.204 21.168  1.000 5.184  0 204 GLY A C   1 ? 
ATOM   1473 O  O   . GLY A 1 204 ? -2.188  -19.006 21.957  1.000 4.898  0 204 GLY A O   1 ? 
ATOM   1474 N  N   . VAL A 1 205 ? -2.373  -17.395 20.364  1.000 4.318  0 205 VAL A N   1 ? 
ATOM   1475 C  CA  . VAL A 1 205 ? -3.821  -17.415 20.314  1.000 4.130  0 205 VAL A CA  1 ? 
ATOM   1476 C  C   . VAL A 1 205 ? -4.212  -17.884 18.908  1.000 3.967  0 205 VAL A C   1 ? 
ATOM   1477 O  O   . VAL A 1 205 ? -3.720  -17.403 17.893  1.000 4.135  0 205 VAL A O   1 ? 
ATOM   1478 C  CB  . VAL A 1 205 ? -4.475  -16.062 20.668  1.000 4.036  0 205 VAL A CB  1 ? 
ATOM   1479 C  CG1 . VAL A 1 205 ? -5.987  -16.206 20.789  1.000 4.306  0 205 VAL A CG1 1 ? 
ATOM   1480 C  CG2 . VAL A 1 205 ? -3.956  -15.550 21.989  1.000 4.187  0 205 VAL A CG2 1 ? 
ATOM   1481 N  N   . TYR A 1 206 ? -5.174  -18.826 18.866  1.000 3.715  0 206 TYR A N   1 ? 
ATOM   1482 C  CA  . TYR A 1 206 ? -5.493  -19.558 17.648  1.000 3.812  0 206 TYR A CA  1 ? 
ATOM   1483 C  C   . TYR A 1 206 ? -7.005  -19.544 17.434  1.000 3.695  0 206 TYR A C   1 ? 
ATOM   1484 O  O   . TYR A 1 206 ? -7.811  -19.643 18.388  1.000 4.902  0 206 TYR A O   1 ? 
ATOM   1485 C  CB  . TYR A 1 206 ? -5.007  -21.005 17.812  1.000 3.757  0 206 TYR A CB  1 ? 
ATOM   1486 C  CG  . TYR A 1 206 ? -3.477  -21.047 17.914  1.000 3.629  0 206 TYR A CG  1 ? 
ATOM   1487 C  CD1 . TYR A 1 206 ? -2.657  -21.064 16.780  1.000 3.784  0 206 TYR A CD1 1 ? 
ATOM   1488 C  CD2 . TYR A 1 206 ? -2.873  -20.988 19.171  1.000 3.704  0 206 TYR A CD2 1 ? 
ATOM   1489 C  CE1 . TYR A 1 206 ? -1.287  -21.013 16.886  1.000 3.775  0 206 TYR A CE1 1 ? 
ATOM   1490 C  CE2 . TYR A 1 206 ? -1.498  -20.949 19.291  1.000 3.702  0 206 TYR A CE2 1 ? 
ATOM   1491 C  CZ  . TYR A 1 206 ? -0.712  -20.962 18.147  1.000 3.786  0 206 TYR A CZ  1 ? 
ATOM   1492 O  OH  . TYR A 1 206 ? 0.664   -20.903 18.265  1.000 3.761  0 206 TYR A OH  1 ? 
ATOM   1493 N  N   . THR A 1 207 ? -7.402  -19.457 16.160  1.000 3.576  0 207 THR A N   1 ? 
ATOM   1494 C  CA  . THR A 1 207 ? -8.808  -19.572 15.823  1.000 3.508  0 207 THR A CA  1 ? 
ATOM   1495 C  C   . THR A 1 207 ? -9.299  -20.999 16.086  1.000 3.579  0 207 THR A C   1 ? 
ATOM   1496 O  O   . THR A 1 207 ? -8.673  -21.965 15.685  1.000 3.398  0 207 THR A O   1 ? 
ATOM   1497 C  CB  . THR A 1 207 ? -9.074  -19.261 14.353  1.000 3.593  0 207 THR A CB  1 ? 
ATOM   1498 O  OG1 . THR A 1 207 ? -8.458  -18.003 14.125  1.000 3.556  0 207 THR A OG1 1 ? 
ATOM   1499 C  CG2 . THR A 1 207 ? -10.557 -19.229 14.098  1.000 3.627  0 207 THR A CG2 1 ? 
ATOM   1500 N  N   . LYS A 1 208 ? -10.432 -21.113 16.792  1.000 3.651  0 208 LYS A N   1 ? 
ATOM   1501 C  CA  . LYS A 1 208 ? -11.009 -22.399 17.187  1.000 4.192  0 208 LYS A CA  1 ? 
ATOM   1502 C  C   . LYS A 1 208 ? -11.841 -22.987 16.036  1.000 3.864  0 208 LYS A C   1 ? 
ATOM   1503 O  O   . LYS A 1 208 ? -13.061 -22.756 15.901  1.000 3.967  0 208 LYS A O   1 ? 
ATOM   1504 C  CB  . LYS A 1 208 ? -11.819 -22.170 18.462  1.000 4.623  0 208 LYS A CB  1 ? 
ATOM   1505 C  CG  . LYS A 1 208 ? -12.244 -23.480 19.128  1.000 5.667  0 208 LYS A CG  1 ? 
ATOM   1506 C  CD  . LYS A 1 208 ? -12.917 -23.281 20.478  1.000 6.631  0 208 LYS A CD  1 ? 
ATOM   1507 C  CE  . LYS A 1 208 ? -13.149 -24.596 21.141  1.000 8.819  0 208 LYS A CE  1 ? 
ATOM   1508 N  NZ  . LYS A 1 208 ? -13.567 -24.435 22.531  1.000 10.338 0 208 LYS A NZ  1 ? 
ATOM   1509 N  N   . VAL A 1 209 ? -11.177 -23.811 15.225  1.000 3.908  0 209 VAL A N   1 ? 
ATOM   1510 C  CA  . VAL A 1 209 ? -11.730 -24.286 13.968  1.000 4.037  0 209 VAL A CA  1 ? 
ATOM   1511 C  C   . VAL A 1 209 ? -12.999 -25.124 14.153  1.000 4.531  0 209 VAL A C   1 ? 
ATOM   1512 O  O   . VAL A 1 209 ? -13.897 -25.051 13.339  1.000 4.099  0 209 VAL A O   1 ? 
ATOM   1513 C  CB  . VAL A 1 209 ? -10.673 -25.073 13.174  1.000 4.159  0 209 VAL A CB  1 ? 
ATOM   1514 C  CG1 . VAL A 1 209 ? -11.274 -25.794 11.958  1.000 4.209  0 209 VAL A CG1 1 ? 
ATOM   1515 C  CG2 . VAL A 1 209 ? -9.562  -24.134 12.712  1.000 3.976  0 209 VAL A CG2 1 ? 
ATOM   1516 N  N   . CYS A 1 210 ? -13.115 -25.877 15.242  1.000 4.778  0 210 CYS A N   1 ? 
ATOM   1517 C  CA  . CYS A 1 210 ? -14.277 -26.733 15.411  1.000 5.201  0 210 CYS A CA  1 ? 
ATOM   1518 C  C   . CYS A 1 210 ? -15.580 -25.920 15.423  1.000 5.619  0 210 CYS A C   1 ? 
ATOM   1519 O  O   . CYS A 1 210 ? -16.653 -26.426 15.106  1.000 6.591  0 210 CYS A O   1 ? 
ATOM   1520 C  CB  . CYS A 1 210 ? -14.182 -27.553 16.683  1.000 5.781  0 210 CYS A CB  1 ? 
ATOM   1521 S  SG  . CYS A 1 210 ? -14.061 -26.571 18.203  1.000 6.134  0 210 CYS A SG  1 ? 
ATOM   1522 N  N   . ASN A 1 211 ? -15.519 -24.631 15.762  1.000 5.220  0 211 ASN A N   1 ? 
ATOM   1523 C  CA  . ASN A 1 211 ? -16.677 -23.745 15.758  1.000 5.383  0 211 ASN A CA  1 ? 
ATOM   1524 C  C   . ASN A 1 211 ? -17.186 -23.416 14.355  1.000 5.614  0 211 ASN A C   1 ? 
ATOM   1525 O  O   . ASN A 1 211 ? -18.321 -22.940 14.167  1.000 6.724  0 211 ASN A O   1 ? 
ATOM   1526 C  CB  . ASN A 1 211 ? -16.382 -22.434 16.474  1.000 5.441  0 211 ASN A CB  1 ? 
ATOM   1527 C  CG  . ASN A 1 211 ? -16.197 -22.585 17.964  1.000 5.940  0 211 ASN A CG  1 ? 
ATOM   1528 O  OD1 . ASN A 1 211 ? -16.240 -23.697 18.529  1.000 6.517  0 211 ASN A OD1 1 ? 
ATOM   1529 N  ND2 . ASN A 1 211 ? -15.953 -21.433 18.593  1.000 6.274  0 211 ASN A ND2 1 ? 
ATOM   1530 N  N   . TYR A 1 212 ? -16.360 -23.694 13.349  1.000 5.406  0 212 TYR A N   1 ? 
ATOM   1531 C  CA  . TYR A 1 212 ? -16.579 -23.189 12.005  1.000 5.512  0 212 TYR A CA  1 ? 
ATOM   1532 C  C   . TYR A 1 212 ? -16.834 -24.299 10.995  1.000 6.094  0 212 TYR A C   1 ? 
ATOM   1533 O  O   . TYR A 1 212 ? -17.046 -23.992 9.839   1.000 6.030  0 212 TYR A O   1 ? 
ATOM   1534 C  CB  . TYR A 1 212 ? -15.328 -22.418 11.588  1.000 5.181  0 212 TYR A CB  1 ? 
ATOM   1535 C  CG  . TYR A 1 212 ? -15.155 -21.165 12.421  1.000 4.662  0 212 TYR A CG  1 ? 
ATOM   1536 C  CD1 . TYR A 1 212 ? -16.009 -20.086 12.272  1.000 4.625  0 212 TYR A CD1 1 ? 
ATOM   1537 C  CD2 . TYR A 1 212 ? -14.217 -21.115 13.444  1.000 4.668  0 212 TYR A CD2 1 ? 
ATOM   1538 C  CE1 . TYR A 1 212 ? -15.914 -18.960 13.060  1.000 4.230  0 212 TYR A CE1 1 ? 
ATOM   1539 C  CE2 . TYR A 1 212 ? -14.117 -19.996 14.241  1.000 4.518  0 212 TYR A CE2 1 ? 
ATOM   1540 C  CZ  . TYR A 1 212 ? -14.970 -18.923 14.061  1.000 4.218  0 212 TYR A CZ  1 ? 
ATOM   1541 O  OH  . TYR A 1 212 ? -14.834 -17.800 14.829  1.000 4.492  0 212 TYR A OH  1 ? 
ATOM   1542 N  N   . VAL A 1 213 ? -16.888 -25.554 11.435  1.000 7.133  0 213 VAL A N   1 ? 
ATOM   1543 C  CA  . VAL A 1 213 ? -17.000 -26.676 10.507  1.000 7.205  0 213 VAL A CA  1 ? 
ATOM   1544 C  C   . VAL A 1 213 ? -18.326 -26.604 9.746   1.000 6.863  0 213 VAL A C   1 ? 
ATOM   1545 O  O   . VAL A 1 213 ? -18.345 -26.884 8.552   1.000 6.517  0 213 VAL A O   1 ? 
ATOM   1546 C  CB  . VAL A 1 213 ? -16.791 -28.026 11.219  1.000 7.733  0 213 VAL A CB  1 ? 
ATOM   1547 C  CG1 . VAL A 1 213 ? -17.107 -29.231 10.328  1.000 8.477  0 213 VAL A CG1 1 ? 
ATOM   1548 C  CG2 . VAL A 1 213 ? -15.365 -28.154 11.774  1.000 7.411  0 213 VAL A CG2 1 ? 
ATOM   1549 N  N   . SER A 1 214 ? -19.427 -26.175 10.368  1.000 7.182  0 214 SER A N   1 ? 
ATOM   1550 C  CA  . SER A 1 214 ? -20.697 -26.080 9.641   1.000 8.512  0 214 SER A CA  1 ? 
ATOM   1551 C  C   . SER A 1 214 ? -20.620 -25.005 8.569   1.000 7.040  0 214 SER A C   1 ? 
ATOM   1552 O  O   . SER A 1 214 ? -21.070 -25.230 7.445   1.000 7.038  0 214 SER A O   1 ? 
ATOM   1553 C  CB  . SER A 1 214 ? -21.850 -25.760 10.543  1.000 11.018 0 214 SER A CB  1 ? 
ATOM   1554 O  OG  . SER A 1 214 ? -22.044 -26.854 11.426  1.000 17.570 0 214 SER A OG  1 ? 
ATOM   1555 N  N   . TRP A 1 215 ? -20.049 -23.842 8.928   1.000 5.683  0 215 TRP A N   1 ? 
ATOM   1556 C  CA  . TRP A 1 215 ? -19.811 -22.798 7.947   1.000 5.229  0 215 TRP A CA  1 ? 
ATOM   1557 C  C   . TRP A 1 215 ? -18.914 -23.245 6.791   1.000 5.053  0 215 TRP A C   1 ? 
ATOM   1558 O  O   . TRP A 1 215 ? -19.193 -22.984 5.621   1.000 4.616  0 215 TRP A O   1 ? 
ATOM   1559 C  CB  . TRP A 1 215 ? -19.304 -21.524 8.632   1.000 5.218  0 215 TRP A CB  1 ? 
ATOM   1560 C  CG  . TRP A 1 215 ? -18.937 -20.441 7.647   1.000 4.778  0 215 TRP A CG  1 ? 
ATOM   1561 C  CD1 . TRP A 1 215 ? -19.743 -19.653 6.875   1.000 4.806  0 215 TRP A CD1 1 ? 
ATOM   1562 C  CD2 . TRP A 1 215 ? -17.590 -20.071 7.308   1.000 4.580  0 215 TRP A CD2 1 ? 
ATOM   1563 N  NE1 . TRP A 1 215 ? -18.984 -18.805 6.111   1.000 4.899  0 215 TRP A NE1 1 ? 
ATOM   1564 C  CE2 . TRP A 1 215 ? -17.652 -19.034 6.355   1.000 4.726  0 215 TRP A CE2 1 ? 
ATOM   1565 C  CE3 . TRP A 1 215 ? -16.336 -20.505 7.744   1.000 4.765  0 215 TRP A CE3 1 ? 
ATOM   1566 C  CZ2 . TRP A 1 215 ? -16.501 -18.445 5.825   1.000 4.717  0 215 TRP A CZ2 1 ? 
ATOM   1567 C  CZ3 . TRP A 1 215 ? -15.201 -19.933 7.219   1.000 4.625  0 215 TRP A CZ3 1 ? 
ATOM   1568 C  CH2 . TRP A 1 215 ? -15.281 -18.914 6.262   1.000 4.888  0 215 TRP A CH2 1 ? 
ATOM   1569 N  N   . ILE A 1 216 ? -17.814 -23.932 7.104   1.000 4.791  0 216 ILE A N   1 ? 
ATOM   1570 C  CA  . ILE A 1 216 ? -16.909 -24.372 6.062   1.000 4.914  0 216 ILE A CA  1 ? 
ATOM   1571 C  C   . ILE A 1 216 ? -17.663 -25.318 5.131   1.000 5.163  0 216 ILE A C   1 ? 
ATOM   1572 O  O   . ILE A 1 216 ? -17.604 -25.136 3.938   1.000 4.739  0 216 ILE A O   1 ? 
ATOM   1573 C  CB  . ILE A 1 216 ? -15.659 -25.014 6.671   1.000 5.007  0 216 ILE A CB  1 ? 
ATOM   1574 C  CG1 . ILE A 1 216 ? -14.819 -23.998 7.452   1.000 4.959  0 216 ILE A CG1 1 ? 
ATOM   1575 C  CG2 . ILE A 1 216 ? -14.850 -25.759 5.608   1.000 5.225  0 216 ILE A CG2 1 ? 
ATOM   1576 C  CD1 . ILE A 1 216 ? -13.751 -24.622 8.318   1.000 5.153  0 216 ILE A CD1 1 ? 
ATOM   1577 N  N   . LYS A 1 217 ? -18.342 -26.321 5.691   1.000 6.165  0 217 LYS A N   1 ? 
ATOM   1578 C  CA  . LYS A 1 217 ? -18.983 -27.325 4.850   1.000 7.492  0 217 LYS A CA  1 ? 
ATOM   1579 C  C   . LYS A 1 217 ? -20.048 -26.703 3.957   1.000 7.106  0 217 LYS A C   1 ? 
ATOM   1580 O  O   . LYS A 1 217 ? -20.124 -27.012 2.762   1.000 6.575  0 217 LYS A O   1 ? 
ATOM   1581 C  CB  . LYS A 1 217 ? -19.534 -28.443 5.738   1.000 9.134  0 217 LYS A CB  1 ? 
ATOM   1582 C  CG  . LYS A 1 217 ? -18.422 -29.346 6.280   1.000 12.343 0 217 LYS A CG  1 ? 
ATOM   1583 C  CD  . LYS A 1 217 ? -18.943 -30.477 7.172   1.000 17.782 0 217 LYS A CD  1 ? 
ATOM   1584 C  CE  . LYS A 1 217 ? -17.874 -31.413 7.696   1.000 23.548 0 217 LYS A CE  1 ? 
ATOM   1585 N  NZ  . LYS A 1 217 ? -17.220 -32.185 6.641   1.000 27.904 0 217 LYS A NZ  1 ? 
ATOM   1586 N  N   . GLN A 1 218 ? -20.855 -25.769 4.479   1.000 7.005  0 218 GLN A N   1 ? 
ATOM   1587 C  CA  . GLN A 1 218 ? -21.968 -25.272 3.688   1.000 8.019  0 218 GLN A CA  1 ? 
ATOM   1588 C  C   . GLN A 1 218 ? -21.429 -24.316 2.625   1.000 7.120  0 218 GLN A C   1 ? 
ATOM   1589 O  O   . GLN A 1 218 ? -21.936 -24.286 1.490   1.000 7.426  0 218 GLN A O   1 ? 
ATOM   1590 C  CB  . GLN A 1 218 ? -23.057 -24.711 4.601   1.000 10.714 0 218 GLN A CB  1 ? 
ATOM   1591 C  CG  . GLN A 1 218 ? -22.772 -23.350 5.205   1.000 13.753 0 218 GLN A CG  1 ? 
ATOM   1592 C  CD  . GLN A 1 218 ? -23.233 -22.174 4.367   1.000 17.338 0 218 GLN A CD  1 ? 
ATOM   1593 O  OE1 . GLN A 1 218 ? -23.710 -22.315 3.228   1.000 18.864 0 218 GLN A OE1 1 ? 
ATOM   1594 N  NE2 . GLN A 1 218 ? -23.023 -20.984 4.910   1.000 16.854 0 218 GLN A NE2 1 ? 
ATOM   1595 N  N   . THR A 1 219 ? -20.348 -23.596 2.974   1.000 6.787  0 219 THR A N   1 ? 
ATOM   1596 C  CA  . THR A 1 219 ? -19.720 -22.685 2.042   1.000 6.843  0 219 THR A CA  1 ? 
ATOM   1597 C  C   . THR A 1 219 ? -19.155 -23.470 0.860   1.000 7.251  0 219 THR A C   1 ? 
ATOM   1598 O  O   . THR A 1 219 ? -19.384 -23.121 -0.307  1.000 8.005  0 219 THR A O   1 ? 
ATOM   1599 C  CB  . THR A 1 219 ? -18.653 -21.836 2.717   1.000 6.272  0 219 THR A CB  1 ? 
ATOM   1600 O  OG1 . THR A 1 219 ? -19.271 -21.022 3.698   1.000 5.877  0 219 THR A OG1 1 ? 
ATOM   1601 C  CG2 . THR A 1 219 ? -17.924 -21.011 1.672   1.000 6.082  0 219 THR A CG2 1 ? 
ATOM   1602 N  N   . ILE A 1 220 ? -18.389 -24.530 1.163   1.000 7.171  0 220 ILE A N   1 ? 
ATOM   1603 C  CA  . ILE A 1 220 ? -17.874 -25.389 0.105   1.000 8.214  0 220 ILE A CA  1 ? 
ATOM   1604 C  C   . ILE A 1 220 ? -19.016 -25.932 -0.755  1.000 8.298  0 220 ILE A C   1 ? 
ATOM   1605 O  O   . ILE A 1 220 ? -18.868 -26.054 -1.971  1.000 9.414  0 220 ILE A O   1 ? 
ATOM   1606 C  CB  . ILE A 1 220 ? -16.979 -26.495 0.688   1.000 9.449  0 220 ILE A CB  1 ? 
ATOM   1607 C  CG1 . ILE A 1 220 ? -15.705 -25.898 1.209   1.000 10.820 0 220 ILE A CG1 1 ? 
ATOM   1608 C  CG2 . ILE A 1 220 ? -16.694 -27.591 -0.331  1.000 9.749  0 220 ILE A CG2 1 ? 
ATOM   1609 C  CD1 . ILE A 1 220 ? -14.980 -26.839 2.153   1.000 12.877 0 220 ILE A CD1 1 ? 
ATOM   1610 N  N   . ALA A 1 221 ? -20.138 -26.312 -0.142  1.000 8.440  0 221 ALA A N   1 ? 
ATOM   1611 C  CA  . ALA A 1 221 ? -21.205 -26.976 -0.882  1.000 8.758  0 221 ALA A CA  1 ? 
ATOM   1612 C  C   . ALA A 1 221 ? -21.875 -26.048 -1.890  1.000 9.331  0 221 ALA A C   1 ? 
ATOM   1613 O  O   . ALA A 1 221 ? -22.584 -26.541 -2.770  1.000 9.388  0 221 ALA A O   1 ? 
ATOM   1614 C  CB  . ALA A 1 221 ? -22.242 -27.499 0.074   1.000 8.652  0 221 ALA A CB  1 ? 
ATOM   1615 N  N   . SER A 1 222 ? -21.737 -24.724 -1.734  1.000 9.987  0 222 SER A N   1 ? 
ATOM   1616 C  CA  . SER A 1 222 ? -22.451 -23.774 -2.559  1.000 10.858 0 222 SER A CA  1 ? 
ATOM   1617 C  C   . SER A 1 222 ? -21.529 -22.884 -3.378  1.000 10.743 0 222 SER A C   1 ? 
ATOM   1618 O  O   . SER A 1 222 ? -21.985 -21.862 -3.908  1.000 10.356 0 222 SER A O   1 ? 
ATOM   1619 C  CB  . SER A 1 222 ? -23.367 -22.948 -1.732  1.000 13.248 0 222 SER A CB  1 ? 
ATOM   1620 O  OG  . SER A 1 222 ? -24.430 -23.788 -1.307  1.000 15.576 0 222 SER A OG  1 ? 
ATOM   1621 N  N   . ASN A 1 223 ? -20.236 -23.229 -3.437  1.000 9.261  0 223 ASN A N   1 ? 
ATOM   1622 C  CA  . ASN A 1 223 ? -19.264 -22.359 -4.085  1.000 10.404 0 223 ASN A CA  1 ? 
ATOM   1623 C  C   . ASN A 1 223 ? -18.267 -23.194 -4.906  1.000 11.455 0 223 ASN A C   1 ? 
ATOM   1624 O  O   . ASN A 1 223 ? -17.332 -22.564 -5.394  1.000 13.874 0 223 ASN A O   1 ? 
ATOM   1625 C  CB  . ASN A 1 223 ? -18.536 -21.468 -3.090  1.000 10.392 0 223 ASN A CB  1 ? 
ATOM   1626 C  CG  . ASN A 1 223 ? -19.390 -20.337 -2.574  1.000 11.048 0 223 ASN A CG  1 ? 
ATOM   1627 O  OD1 . ASN A 1 223 ? -19.478 -19.254 -3.196  1.000 11.512 0 223 ASN A OD1 1 ? 
ATOM   1628 N  ND2 . ASN A 1 223 ? -20.003 -20.569 -1.426  1.000 10.939 0 223 ASN A ND2 1 ? 
ATOM   1629 O  OXT . ASN A 1 223 ? -18.395 -24.423 -4.974  1.000 11.680 0 223 ASN A OXT 1 ? 
HETATM 1630 CA CA  . CA  B 2 .   ? 10.081  -24.694 -3.173  1.000 3.942  0 301 CA  A CA  1 ? 
HETATM 1631 C  C1  . BEN C 3 .   ? 1.708   -14.803 17.041  1.000 7.572  0 302 BEN A C1  1 ? 
HETATM 1632 C  C2  . BEN C 3 .   ? 1.313   -15.480 15.898  1.000 8.107  0 302 BEN A C2  1 ? 
HETATM 1633 C  C3  . BEN C 3 .   ? 1.006   -14.796 14.745  1.000 8.267  0 302 BEN A C3  1 ? 
HETATM 1634 C  C4  . BEN C 3 .   ? 1.054   -13.426 14.734  1.000 8.822  0 302 BEN A C4  1 ? 
HETATM 1635 C  C5  . BEN C 3 .   ? 1.411   -12.738 15.870  1.000 9.327  0 302 BEN A C5  1 ? 
HETATM 1636 C  C6  . BEN C 3 .   ? 1.703   -13.416 17.038  1.000 8.897  0 302 BEN A C6  1 ? 
HETATM 1637 C  C   . BEN C 3 .   ? 2.054   -15.573 18.258  1.000 6.759  0 302 BEN A C   1 ? 
HETATM 1638 N  N1  . BEN C 3 .   ? 1.697   -16.824 18.425  1.000 5.965  0 302 BEN A N1  1 ? 
HETATM 1639 N  N2  . BEN C 3 .   ? 2.808   -14.962 19.180  1.000 6.521  0 302 BEN A N2  1 ? 
HETATM 1640 O  O   . HOH D 4 .   ? 16.868  -16.494 6.933   1.000 30.825 0 401 HOH A O   1 ? 
HETATM 1641 O  O   . HOH D 4 .   ? -1.828  -8.635  -3.749  1.000 37.039 0 402 HOH A O   1 ? 
HETATM 1642 O  O   . HOH D 4 .   ? -12.389 -21.817 -8.943  1.000 20.235 0 403 HOH A O   1 ? 
HETATM 1643 O  O   . HOH D 4 .   ? -6.533  -35.974 20.660  1.000 20.353 0 404 HOH A O   1 ? 
HETATM 1644 O  O   . HOH D 4 .   ? -18.607 -27.626 -3.883  1.000 15.347 0 405 HOH A O   1 ? 
HETATM 1645 O  O   . HOH D 4 .   ? -7.394  -33.776 -7.088  1.000 29.130 0 406 HOH A O   1 ? 
HETATM 1646 O  O   . HOH D 4 .   ? 12.582  -17.538 3.129   1.000 19.287 0 407 HOH A O   1 ? 
HETATM 1647 O  O   . HOH D 4 .   ? -6.238  -8.235  21.923  1.000 18.209 0 408 HOH A O   1 ? 
HETATM 1648 O  O   . HOH D 4 .   ? 12.404  -12.382 23.641  1.000 24.420 0 409 HOH A O   1 ? 
HETATM 1649 O  O   . HOH D 4 .   ? 7.656   -9.736  27.052  1.000 34.223 0 410 HOH A O   1 ? 
HETATM 1650 O  O   . HOH D 4 .   ? -4.412  -27.923 -10.654 1.000 12.704 0 411 HOH A O   1 ? 
HETATM 1651 O  O   . HOH D 4 .   ? 6.449   -11.648 8.645   1.000 29.737 0 412 HOH A O   1 ? 
HETATM 1652 O  O   . HOH D 4 .   ? -18.589 -19.312 19.659  1.000 28.462 0 413 HOH A O   1 ? 
HETATM 1653 O  O   . HOH D 4 .   ? -10.692 -31.830 5.305   1.000 13.671 0 414 HOH A O   1 ? 
HETATM 1654 O  O   . HOH D 4 .   ? -15.350 -8.471  18.106  1.000 9.036  0 415 HOH A O   1 ? 
HETATM 1655 O  O   . HOH D 4 .   ? -8.498  -32.748 22.609  1.000 18.331 0 416 HOH A O   1 ? 
HETATM 1656 O  O   . HOH D 4 .   ? -9.851  -20.673 25.435  1.000 19.144 0 417 HOH A O   1 ? 
HETATM 1657 O  O   . HOH D 4 .   ? 10.221  -17.298 5.667   1.000 13.579 0 418 HOH A O   1 ? 
HETATM 1658 O  O   . HOH D 4 .   ? 8.411   -27.805 27.197  1.000 30.873 0 419 HOH A O   1 ? 
HETATM 1659 O  O   . HOH D 4 .   ? 18.173  -14.809 8.684   1.000 22.150 0 420 HOH A O   1 ? 
HETATM 1660 O  O   . HOH D 4 .   ? -18.998 -16.784 14.964  1.000 21.289 0 421 HOH A O   1 ? 
HETATM 1661 O  O   . HOH D 4 .   ? 5.519   -40.998 -1.225  1.000 17.322 0 422 HOH A O   1 ? 
HETATM 1662 O  O   . HOH D 4 .   ? -10.935 -26.404 17.127  1.000 5.807  0 423 HOH A O   1 ? 
HETATM 1663 O  O   . HOH D 4 .   ? -5.836  -8.489  5.401   1.000 26.658 0 424 HOH A O   1 ? 
HETATM 1664 O  O   . HOH D 4 .   ? -4.779  -7.946  8.418   1.000 28.526 0 425 HOH A O   1 ? 
HETATM 1665 O  O   . HOH D 4 .   ? 7.373   -33.520 13.127  1.000 17.153 0 426 HOH A O   1 ? 
HETATM 1666 O  O   . HOH D 4 .   ? 9.989   -11.569 17.216  1.000 24.931 0 427 HOH A O   1 ? 
HETATM 1667 O  O   . HOH D 4 .   ? 3.378   -34.143 10.012  1.000 20.463 0 428 HOH A O   1 ? 
HETATM 1668 O  O   . HOH D 4 .   ? 17.291  -16.988 3.419   1.000 22.178 0 429 HOH A O   1 ? 
HETATM 1669 O  O   . HOH D 4 .   ? -5.807  -23.971 34.200  1.000 20.452 0 430 HOH A O   1 ? 
HETATM 1670 O  O   . HOH D 4 .   ? 3.789   -36.205 3.647   1.000 8.963  0 431 HOH A O   1 ? 
HETATM 1671 O  O   . HOH D 4 .   ? -10.142 -9.915  21.160  1.000 10.278 0 432 HOH A O   1 ? 
HETATM 1672 O  O   . HOH D 4 .   ? 10.624  -35.979 2.508   1.000 21.391 0 433 HOH A O   1 ? 
HETATM 1673 O  O   . HOH D 4 .   ? 10.113  -31.080 -2.007  1.000 9.066  0 434 HOH A O   1 ? 
HETATM 1674 O  O   . HOH D 4 .   ? -8.178  -33.418 17.493  1.000 8.693  0 435 HOH A O   1 ? 
HETATM 1675 O  O   . HOH D 4 .   ? -5.593  -33.237 27.415  1.000 32.812 0 436 HOH A O   1 ? 
HETATM 1676 O  O   . HOH D 4 .   ? -12.660 -30.831 -4.211  1.000 14.649 0 437 HOH A O   1 ? 
HETATM 1677 O  O   . HOH D 4 .   ? 4.360   -30.677 1.279   1.000 7.914  0 438 HOH A O   1 ? 
HETATM 1678 O  O   . HOH D 4 .   ? -12.630 -32.735 23.294  1.000 35.659 0 439 HOH A O   1 ? 
HETATM 1679 O  O   . HOH D 4 .   ? -9.027  -3.059  11.962  1.000 10.932 0 440 HOH A O   1 ? 
HETATM 1680 O  O   . HOH D 4 .   ? -17.565 -20.095 -6.630  1.000 26.553 0 441 HOH A O   1 ? 
HETATM 1681 O  O   . HOH D 4 .   ? 16.471  -29.075 -2.518  1.000 28.668 0 442 HOH A O   1 ? 
HETATM 1682 O  O   . HOH D 4 .   ? -14.716 -21.688 23.288  1.000 15.961 0 443 HOH A O   1 ? 
HETATM 1683 O  O   . HOH D 4 .   ? -8.618  -12.336 32.527  1.000 21.809 0 444 HOH A O   1 ? 
HETATM 1684 O  O   . HOH D 4 .   ? 16.307  -27.386 -7.076  1.000 26.549 0 445 HOH A O   1 ? 
HETATM 1685 O  O   . HOH D 4 .   ? 6.299   -11.239 28.947  1.000 24.501 0 446 HOH A O   1 ? 
HETATM 1686 O  O   . HOH D 4 .   ? -12.391 -20.058 24.160  1.000 23.212 0 447 HOH A O   1 ? 
HETATM 1687 O  O   . HOH D 4 .   ? -1.668  -24.034 -11.722 1.000 36.945 0 448 HOH A O   1 ? 
HETATM 1688 O  O   . HOH D 4 .   ? 0.091   -10.945 -6.226  1.000 23.924 0 449 HOH A O   1 ? 
HETATM 1689 O  O   . HOH D 4 .   ? 2.762   -15.241 -6.850  1.000 13.156 0 450 HOH A O   1 ? 
HETATM 1690 O  O   . HOH D 4 .   ? 3.594   -33.899 21.511  1.000 34.442 0 451 HOH A O   1 ? 
HETATM 1691 O  O   . HOH D 4 .   ? -16.333 -26.056 -4.439  1.000 18.459 0 452 HOH A O   1 ? 
HETATM 1692 O  O   . HOH D 4 .   ? 14.473  -26.577 -9.764  1.000 27.489 0 453 HOH A O   1 ? 
HETATM 1693 O  O   . HOH D 4 .   ? -13.026 -35.630 11.372  1.000 26.135 0 454 HOH A O   1 ? 
HETATM 1694 O  O   . HOH D 4 .   ? -8.564  -34.520 4.555   1.000 27.586 0 455 HOH A O   1 ? 
HETATM 1695 O  O   . HOH D 4 .   ? 11.286  -28.581 6.738   1.000 4.249  0 456 HOH A O   1 ? 
HETATM 1696 O  O   . HOH D 4 .   ? -3.069  -37.261 -0.603  1.000 11.423 0 457 HOH A O   1 ? 
HETATM 1697 O  O   . HOH D 4 .   ? -19.787 -25.285 -7.136  1.000 20.206 0 458 HOH A O   1 ? 
HETATM 1698 O  O   . HOH D 4 .   ? -19.340 -29.476 1.941   1.000 11.815 0 459 HOH A O   1 ? 
HETATM 1699 O  O   . HOH D 4 .   ? -1.615  -28.679 -9.779  1.000 12.562 0 460 HOH A O   1 ? 
HETATM 1700 O  O   . HOH D 4 .   ? -1.443  -34.430 17.778  1.000 23.784 0 461 HOH A O   1 ? 
HETATM 1701 O  O   . HOH D 4 .   ? -12.611 -20.043 31.677  1.000 25.937 0 462 HOH A O   1 ? 
HETATM 1702 O  O   . HOH D 4 .   ? 8.467   -10.777 20.219  1.000 11.229 0 463 HOH A O   1 ? 
HETATM 1703 O  O   . HOH D 4 .   ? -4.998  -23.057 8.471   1.000 6.786  0 464 HOH A O   1 ? 
HETATM 1704 O  O   . HOH D 4 .   ? -13.439 -18.606 25.921  1.000 23.685 0 465 HOH A O   1 ? 
HETATM 1705 O  O   . HOH D 4 .   ? -18.199 -9.607  14.514  1.000 10.582 0 466 HOH A O   1 ? 
HETATM 1706 O  O   . HOH D 4 .   ? 10.868  -27.448 19.755  1.000 15.586 0 467 HOH A O   1 ? 
HETATM 1707 O  O   . HOH D 4 .   ? -8.750  -25.003 26.170  1.000 17.784 0 468 HOH A O   1 ? 
HETATM 1708 O  O   . HOH D 4 .   ? 7.911   -28.564 21.997  1.000 17.014 0 469 HOH A O   1 ? 
HETATM 1709 O  O   . HOH D 4 .   ? -22.843 -27.279 7.147   1.000 19.884 0 470 HOH A O   1 ? 
HETATM 1710 O  O   . HOH D 4 .   ? -21.631 -17.865 -4.132  1.000 17.499 0 471 HOH A O   1 ? 
HETATM 1711 O  O   . HOH D 4 .   ? 18.387  -9.890  20.626  1.000 28.646 0 472 HOH A O   1 ? 
HETATM 1712 O  O   . HOH D 4 .   ? -16.568 -23.461 21.228  1.000 17.647 0 473 HOH A O   1 ? 
HETATM 1713 O  O   . HOH D 4 .   ? -6.288  -18.541 35.605  1.000 27.603 0 474 HOH A O   1 ? 
HETATM 1714 O  O   . HOH D 4 .   ? 4.442   -13.970 22.920  1.000 8.032  0 475 HOH A O   1 ? 
HETATM 1715 O  O   . HOH D 4 .   ? -17.827 -25.919 18.627  1.000 18.584 0 476 HOH A O   1 ? 
HETATM 1716 O  O   . HOH D 4 .   ? -23.695 -19.741 -4.137  1.000 22.562 0 477 HOH A O   1 ? 
HETATM 1717 O  O   . HOH D 4 .   ? -23.409 -29.145 -2.913  1.000 20.674 0 478 HOH A O   1 ? 
HETATM 1718 O  O   . HOH D 4 .   ? -2.352  -35.068 23.162  1.000 28.242 0 479 HOH A O   1 ? 
HETATM 1719 O  O   . HOH D 4 .   ? -8.751  -15.020 16.676  1.000 5.366  0 480 HOH A O   1 ? 
HETATM 1720 O  O   . HOH D 4 .   ? -1.116  -31.064 -10.865 1.000 35.798 0 481 HOH A O   1 ? 
HETATM 1721 O  O   . HOH D 4 .   ? 17.693  -18.924 5.672   1.000 39.055 0 482 HOH A O   1 ? 
HETATM 1722 O  O   . HOH D 4 .   ? 0.806   -28.539 11.377  1.000 3.108  0 483 HOH A O   1 ? 
HETATM 1723 O  O   . HOH D 4 .   ? 7.908   -28.991 3.699   1.000 3.259  0 484 HOH A O   1 ? 
HETATM 1724 O  O   . HOH D 4 .   ? -5.695  -36.479 3.275   1.000 11.377 0 485 HOH A O   1 ? 
HETATM 1725 O  O   . HOH D 4 .   ? 0.312   -13.964 -6.695  1.000 17.958 0 486 HOH A O   1 ? 
HETATM 1726 O  O   . HOH D 4 .   ? 4.082   -36.179 18.944  1.000 20.142 0 487 HOH A O   1 ? 
HETATM 1727 O  O   . HOH D 4 .   ? 7.035   -33.208 10.474  1.000 26.774 0 488 HOH A O   1 ? 
HETATM 1728 O  O   . HOH D 4 .   ? 14.755  -27.604 18.103  1.000 21.567 0 489 HOH A O   1 ? 
HETATM 1729 O  O   . HOH D 4 .   ? -0.120  -12.197 30.469  1.000 23.920 0 490 HOH A O   1 ? 
HETATM 1730 O  O   . HOH D 4 .   ? 6.086   -30.126 -9.094  1.000 17.742 0 491 HOH A O   1 ? 
HETATM 1731 O  O   . HOH D 4 .   ? 8.896   -28.946 -3.321  1.000 5.753  0 492 HOH A O   1 ? 
HETATM 1732 O  O   . HOH D 4 .   ? -0.897  -19.317 -10.737 1.000 14.404 0 493 HOH A O   1 ? 
HETATM 1733 O  O   . HOH D 4 .   ? 0.264   -37.598 2.931   1.000 11.452 0 494 HOH A O   1 ? 
HETATM 1734 O  O   . HOH D 4 .   ? -8.585  -8.997  6.461   1.000 11.933 0 495 HOH A O   1 ? 
HETATM 1735 O  O   . HOH D 4 .   ? -1.785  -11.310 14.235  1.000 9.499  0 496 HOH A O   1 ? 
HETATM 1736 O  O   . HOH D 4 .   ? -15.586 -21.643 -9.087  1.000 25.274 0 497 HOH A O   1 ? 
HETATM 1737 O  O   . HOH D 4 .   ? -12.200 -22.347 -11.431 1.000 29.090 0 498 HOH A O   1 ? 
HETATM 1738 O  O   . HOH D 4 .   ? 0.699   -33.479 10.864  1.000 9.308  0 499 HOH A O   1 ? 
HETATM 1739 O  O   . HOH D 4 .   ? -2.331  -27.414 28.995  1.000 11.922 0 500 HOH A O   1 ? 
HETATM 1740 O  O   . HOH D 4 .   ? -7.559  -7.649  8.920   1.000 8.962  0 501 HOH A O   1 ? 
HETATM 1741 O  O   . HOH D 4 .   ? -10.461 -33.027 -7.250  1.000 19.405 0 502 HOH A O   1 ? 
HETATM 1742 O  O   . HOH D 4 .   ? -5.954  -21.086 35.026  1.000 30.632 0 503 HOH A O   1 ? 
HETATM 1743 O  O   . HOH D 4 .   ? -10.146 -27.478 27.380  1.000 18.546 0 504 HOH A O   1 ? 
HETATM 1744 O  O   . HOH D 4 .   ? 1.276   -8.929  3.048   1.000 17.114 0 505 HOH A O   1 ? 
HETATM 1745 O  O   . HOH D 4 .   ? -7.865  -38.716 15.596  1.000 25.236 0 506 HOH A O   1 ? 
HETATM 1746 O  O   . HOH D 4 .   ? 1.606   -40.144 -3.539  1.000 21.351 0 507 HOH A O   1 ? 
HETATM 1747 O  O   . HOH D 4 .   ? -10.600 -4.293  8.377   1.000 14.026 0 508 HOH A O   1 ? 
HETATM 1748 O  O   . HOH D 4 .   ? 14.536  -32.235 -4.721  1.000 27.671 0 509 HOH A O   1 ? 
HETATM 1749 O  O   . HOH D 4 .   ? 2.978   -32.276 -5.896  1.000 10.101 0 510 HOH A O   1 ? 
HETATM 1750 O  O   . HOH D 4 .   ? -9.595  -34.402 0.239   1.000 15.103 0 511 HOH A O   1 ? 
HETATM 1751 O  O   . HOH D 4 .   ? 10.145  -17.024 -2.976  1.000 10.680 0 512 HOH A O   1 ? 
HETATM 1752 O  O   . HOH D 4 .   ? -9.865  -12.968 27.912  1.000 6.943  0 513 HOH A O   1 ? 
HETATM 1753 O  O   . HOH D 4 .   ? -2.322  -37.034 -7.915  1.000 34.660 0 514 HOH A O   1 ? 
HETATM 1754 O  O   . HOH D 4 .   ? 16.120  -20.770 -6.224  1.000 9.203  0 515 HOH A O   1 ? 
HETATM 1755 O  O   . HOH D 4 .   ? -3.718  -21.137 -11.323 1.000 14.604 0 516 HOH A O   1 ? 
HETATM 1756 O  O   . HOH D 4 .   ? -10.490 -23.289 31.827  1.000 15.543 0 517 HOH A O   1 ? 
HETATM 1757 O  O   . HOH D 4 .   ? -12.451 -29.407 -9.658  1.000 21.953 0 518 HOH A O   1 ? 
HETATM 1758 O  O   . HOH D 4 .   ? -10.803 -27.071 19.885  1.000 9.152  0 519 HOH A O   1 ? 
HETATM 1759 O  O   . HOH D 4 .   ? 9.278   -22.795 -4.393  1.000 4.304  0 520 HOH A O   1 ? 
HETATM 1760 O  O   . HOH D 4 .   ? -6.245  -6.230  12.006  1.000 19.502 0 521 HOH A O   1 ? 
HETATM 1761 O  O   . HOH D 4 .   ? -7.273  -21.790 25.524  1.000 6.055  0 522 HOH A O   1 ? 
HETATM 1762 O  O   . HOH D 4 .   ? -2.043  -17.637 32.216  1.000 14.600 0 523 HOH A O   1 ? 
HETATM 1763 O  O   . HOH D 4 .   ? -19.597 -19.717 11.562  1.000 8.954  0 524 HOH A O   1 ? 
HETATM 1764 O  O   . HOH D 4 .   ? 9.978   -34.994 -0.056  1.000 14.669 0 525 HOH A O   1 ? 
HETATM 1765 O  O   . HOH D 4 .   ? -8.097  -6.070  -1.808  1.000 23.751 0 526 HOH A O   1 ? 
HETATM 1766 O  O   . HOH D 4 .   ? 5.933   -36.779 15.242  1.000 16.886 0 527 HOH A O   1 ? 
HETATM 1767 O  O   . HOH D 4 .   ? 9.492   -13.046 27.911  1.000 23.814 0 528 HOH A O   1 ? 
HETATM 1768 O  O   . HOH D 4 .   ? -5.482  -6.862  1.879   1.000 26.560 0 529 HOH A O   1 ? 
HETATM 1769 O  O   . HOH D 4 .   ? 5.587   -30.119 4.655   1.000 5.900  0 530 HOH A O   1 ? 
HETATM 1770 O  O   . HOH D 4 .   ? -21.737 -15.446 11.366  1.000 31.268 0 531 HOH A O   1 ? 
HETATM 1771 O  O   . HOH D 4 .   ? 8.458   -13.257 2.490   1.000 15.096 0 532 HOH A O   1 ? 
HETATM 1772 O  O   . HOH D 4 .   ? -14.673 -31.041 -7.099  1.000 22.664 0 533 HOH A O   1 ? 
HETATM 1773 O  O   . HOH D 4 .   ? -5.472  -15.199 -7.573  1.000 11.760 0 534 HOH A O   1 ? 
HETATM 1774 O  O   . HOH D 4 .   ? 0.359   -35.727 -8.124  1.000 15.791 0 535 HOH A O   1 ? 
HETATM 1775 O  O   . HOH D 4 .   ? 1.057   -28.644 0.529   1.000 5.506  0 536 HOH A O   1 ? 
HETATM 1776 O  O   . HOH D 4 .   ? 14.354  -15.870 4.262   1.000 11.294 0 537 HOH A O   1 ? 
HETATM 1777 O  O   . HOH D 4 .   ? -9.448  -16.924 33.757  1.000 18.344 0 538 HOH A O   1 ? 
HETATM 1778 O  O   . HOH D 4 .   ? -12.726 -33.074 6.777   1.000 25.308 0 539 HOH A O   1 ? 
HETATM 1779 O  O   . HOH D 4 .   ? -1.530  -35.197 14.461  1.000 17.778 0 540 HOH A O   1 ? 
HETATM 1780 O  O   . HOH D 4 .   ? -17.470 -8.755  9.082   1.000 7.643  0 541 HOH A O   1 ? 
HETATM 1781 O  O   . HOH D 4 .   ? 4.700   -34.720 -4.726  1.000 32.283 0 542 HOH A O   1 ? 
HETATM 1782 O  O   . HOH D 4 .   ? -17.163 -10.975 5.679   1.000 11.422 0 543 HOH A O   1 ? 
HETATM 1783 O  O   . HOH D 4 .   ? -2.442  -8.436  23.773  1.000 20.214 0 544 HOH A O   1 ? 
HETATM 1784 O  O   . HOH D 4 .   ? -5.948  -35.712 -6.734  1.000 21.443 0 545 HOH A O   1 ? 
HETATM 1785 O  O   . HOH D 4 .   ? 1.477   -6.357  22.235  1.000 26.241 0 546 HOH A O   1 ? 
HETATM 1786 O  O   . HOH D 4 .   ? -5.892  -4.906  -4.249  1.000 38.345 0 547 HOH A O   1 ? 
HETATM 1787 O  O   . HOH D 4 .   ? 12.131  -33.183 12.082  1.000 14.192 0 548 HOH A O   1 ? 
HETATM 1788 O  O   . HOH D 4 .   ? 9.577   -8.740  10.133  1.000 35.454 0 549 HOH A O   1 ? 
HETATM 1789 O  O   . HOH D 4 .   ? -16.106 -32.621 10.395  1.000 18.486 0 550 HOH A O   1 ? 
HETATM 1790 O  O   . HOH D 4 .   ? -0.920  -17.722 17.246  1.000 7.104  0 551 HOH A O   1 ? 
HETATM 1791 O  O   . HOH D 4 .   ? -2.956  -8.453  27.540  1.000 12.074 0 552 HOH A O   1 ? 
HETATM 1792 O  O   . HOH D 4 .   ? -20.501 -23.433 16.014  1.000 31.813 0 553 HOH A O   1 ? 
HETATM 1793 O  O   . HOH D 4 .   ? -10.511 -33.541 -2.163  1.000 11.060 0 554 HOH A O   1 ? 
HETATM 1794 O  O   . HOH D 4 .   ? -6.176  -35.687 7.548   1.000 19.436 0 555 HOH A O   1 ? 
HETATM 1795 O  O   . HOH D 4 .   ? -8.686  0.137   14.079  1.000 8.149  0 556 HOH A O   1 ? 
HETATM 1796 O  O   . HOH D 4 .   ? 7.618   -40.582 -4.034  1.000 27.920 0 557 HOH A O   1 ? 
HETATM 1797 O  O   . HOH D 4 .   ? 8.946   -15.598 -0.332  1.000 7.098  0 558 HOH A O   1 ? 
HETATM 1798 O  O   . HOH D 4 .   ? -13.524 -6.698  10.185  1.000 6.860  0 559 HOH A O   1 ? 
HETATM 1799 O  O   . HOH D 4 .   ? -13.052 0.204   13.386  1.000 15.469 0 560 HOH A O   1 ? 
HETATM 1800 O  O   . HOH D 4 .   ? -19.229 -16.019 17.814  1.000 22.514 0 561 HOH A O   1 ? 
HETATM 1801 O  O   . HOH D 4 .   ? -19.937 -22.794 11.737  1.000 9.312  0 562 HOH A O   1 ? 
HETATM 1802 O  O   . HOH D 4 .   ? -16.957 -15.005 23.456  1.000 16.751 0 563 HOH A O   1 ? 
HETATM 1803 O  O   . HOH D 4 .   ? 7.981   -15.382 -4.106  1.000 7.488  0 564 HOH A O   1 ? 
HETATM 1804 O  O   . HOH D 4 .   ? -4.563  -23.400 -12.423 1.000 21.867 0 565 HOH A O   1 ? 
HETATM 1805 O  O   . HOH D 4 .   ? 14.133  -31.892 4.923   1.000 15.289 0 566 HOH A O   1 ? 
HETATM 1806 O  O   . HOH D 4 .   ? -6.623  -13.873 -4.631  1.000 19.514 0 567 HOH A O   1 ? 
HETATM 1807 O  O   . HOH D 4 .   ? 14.372  -32.124 9.589   1.000 31.232 0 568 HOH A O   1 ? 
HETATM 1808 O  O   . HOH D 4 .   ? -10.912 -22.736 26.666  1.000 27.910 0 569 HOH A O   1 ? 
HETATM 1809 O  O   . HOH D 4 .   ? -19.214 -13.573 16.191  1.000 14.643 0 570 HOH A O   1 ? 
HETATM 1810 O  O   . HOH D 4 .   ? 5.614   -30.192 26.194  1.000 39.140 0 571 HOH A O   1 ? 
HETATM 1811 O  O   . HOH D 4 .   ? -5.350  -6.646  -1.403  1.000 17.150 0 572 HOH A O   1 ? 
HETATM 1812 O  O   . HOH D 4 .   ? -11.347 -16.173 16.199  1.000 4.642  0 573 HOH A O   1 ? 
HETATM 1813 O  O   . HOH D 4 .   ? -19.398 -26.127 13.331  1.000 17.760 0 574 HOH A O   1 ? 
HETATM 1814 O  O   . HOH D 4 .   ? 1.867   -8.186  19.540  1.000 38.060 0 575 HOH A O   1 ? 
HETATM 1815 O  O   . HOH D 4 .   ? 14.990  -22.794 -7.820  1.000 7.026  0 576 HOH A O   1 ? 
HETATM 1816 O  O   . HOH D 4 .   ? -17.321 -10.061 17.100  1.000 11.075 0 577 HOH A O   1 ? 
HETATM 1817 O  O   . HOH D 4 .   ? 15.828  -28.465 13.605  1.000 12.109 0 578 HOH A O   1 ? 
HETATM 1818 O  O   . HOH D 4 .   ? -3.374  -25.375 30.683  1.000 9.932  0 579 HOH A O   1 ? 
HETATM 1819 O  O   . HOH D 4 .   ? 11.030  -35.551 -4.100  1.000 29.777 0 580 HOH A O   1 ? 
HETATM 1820 O  O   . HOH D 4 .   ? -16.788 -29.402 15.247  1.000 26.474 0 581 HOH A O   1 ? 
HETATM 1821 O  O   . HOH D 4 .   ? -10.190 -25.363 29.342  1.000 15.310 0 582 HOH A O   1 ? 
HETATM 1822 O  O   . HOH D 4 .   ? -11.416 -23.399 24.343  1.000 29.384 0 583 HOH A O   1 ? 
HETATM 1823 O  O   . HOH D 4 .   ? 4.354   -37.076 -3.588  1.000 20.250 0 584 HOH A O   1 ? 
HETATM 1824 O  O   . HOH D 4 .   ? -21.268 -15.296 13.687  1.000 33.010 0 585 HOH A O   1 ? 
HETATM 1825 O  O   . HOH D 4 .   ? -5.364  -35.924 0.641   1.000 9.299  0 586 HOH A O   1 ? 
HETATM 1826 O  O   . HOH D 4 .   ? -0.816  -8.182  25.775  1.000 17.660 0 587 HOH A O   1 ? 
HETATM 1827 O  O   . HOH D 4 .   ? -4.211  -16.918 -12.762 1.000 29.815 0 588 HOH A O   1 ? 
HETATM 1828 O  O   . HOH D 4 .   ? -8.566  -22.383 36.835  1.000 39.507 0 589 HOH A O   1 ? 
HETATM 1829 O  O   . HOH D 4 .   ? -22.287 -11.235 10.107  1.000 16.765 0 590 HOH A O   1 ? 
HETATM 1830 O  O   . HOH D 4 .   ? -12.295 -34.520 15.786  1.000 21.224 0 591 HOH A O   1 ? 
HETATM 1831 O  O   . HOH D 4 .   ? -15.749 -26.316 23.616  1.000 21.409 0 592 HOH A O   1 ? 
HETATM 1832 O  O   . HOH D 4 .   ? -3.887  -38.788 -2.860  1.000 34.173 0 593 HOH A O   1 ? 
HETATM 1833 O  O   . HOH D 4 .   ? -0.078  -26.368 -10.498 1.000 23.528 0 594 HOH A O   1 ? 
HETATM 1834 O  O   . HOH D 4 .   ? -9.765  -28.518 -11.896 1.000 15.239 0 595 HOH A O   1 ? 
HETATM 1835 O  O   . HOH D 4 .   ? -6.754  -9.719  19.328  1.000 19.974 0 596 HOH A O   1 ? 
HETATM 1836 O  O   . HOH D 4 .   ? -13.201 -10.614 24.443  1.000 20.694 0 597 HOH A O   1 ? 
HETATM 1837 O  O   . HOH D 4 .   ? -14.207 -28.906 -3.283  1.000 25.437 0 598 HOH A O   1 ? 
HETATM 1838 O  O   . HOH D 4 .   ? -5.217  -35.846 23.335  1.000 41.896 0 599 HOH A O   1 ? 
HETATM 1839 O  O   . HOH D 4 .   ? -9.273  -5.455  20.437  1.000 26.026 0 600 HOH A O   1 ? 
HETATM 1840 O  O   . HOH D 4 .   ? -9.945  -23.622 35.793  1.000 36.470 0 601 HOH A O   1 ? 
HETATM 1841 O  O   . HOH D 4 .   ? -11.017 -34.255 20.488  1.000 23.015 0 602 HOH A O   1 ? 
HETATM 1842 O  O   . HOH D 4 .   ? -9.581  -25.895 23.370  1.000 24.313 0 603 HOH A O   1 ? 
HETATM 1843 O  O   . HOH D 4 .   ? 12.526  -33.553 -7.686  1.000 28.476 0 604 HOH A O   1 ? 
HETATM 1844 O  O   . HOH D 4 .   ? -23.014 -21.086 8.101   1.000 25.895 0 605 HOH A O   1 ? 
HETATM 1845 O  O   . HOH D 4 .   ? 3.802   -19.606 -11.304 1.000 31.891 0 606 HOH A O   1 ? 
HETATM 1846 O  O   . HOH D 4 .   ? -20.762 -29.484 10.107  1.000 29.019 0 607 HOH A O   1 ? 
HETATM 1847 O  O   . HOH D 4 .   ? -7.752  -37.761 10.557  1.000 26.572 0 608 HOH A O   1 ? 
HETATM 1848 O  O   . HOH D 4 .   ? -0.887  -10.514 16.828  1.000 19.659 0 609 HOH A O   1 ? 
HETATM 1849 O  O   . HOH D 4 .   ? 0.728   -8.306  -4.627  1.000 29.692 0 610 HOH A O   1 ? 
HETATM 1850 O  O   . HOH D 4 .   ? -7.339  -36.368 5.358   1.000 21.466 0 611 HOH A O   1 ? 
HETATM 1851 O  O   . HOH D 4 .   ? -20.783 -15.926 -6.366  1.000 30.480 0 612 HOH A O   1 ? 
HETATM 1852 O  O   . HOH D 4 .   ? -0.240  -15.770 31.955  1.000 27.693 0 613 HOH A O   1 ? 
HETATM 1853 O  O   . HOH D 4 .   ? -18.490 -21.341 20.896  1.000 26.653 0 614 HOH A O   1 ? 
HETATM 1854 O  O   . HOH D 4 .   ? 3.670   -12.589 -7.997  1.000 28.777 0 615 HOH A O   1 ? 
HETATM 1855 O  O   . HOH D 4 .   ? -24.528 -25.163 7.318   1.000 46.965 0 616 HOH A O   1 ? 
HETATM 1856 O  O   . HOH D 4 .   ? -0.789  -13.296 33.142  1.000 24.569 0 617 HOH A O   1 ? 
HETATM 1857 O  O   . HOH D 4 .   ? 0.990   -15.739 -10.628 1.000 36.277 0 618 HOH A O   1 ? 
HETATM 1858 O  O   . HOH D 4 .   ? -7.766  -5.016  8.866   1.000 39.400 0 619 HOH A O   1 ? 
HETATM 1859 O  O   . HOH D 4 .   ? -3.733  -19.287 -13.269 1.000 27.106 0 620 HOH A O   1 ? 
HETATM 1860 O  O   . HOH D 4 .   ? 9.892   -20.775 -6.181  1.000 10.085 0 621 HOH A O   1 ? 
HETATM 1861 O  O   . HOH D 4 .   ? -4.781  -28.420 -13.163 1.000 28.212 0 622 HOH A O   1 ? 
HETATM 1862 O  O   . HOH D 4 .   ? -16.155 -5.761  18.939  1.000 12.940 0 623 HOH A O   1 ? 
HETATM 1863 O  O   . HOH D 4 .   ? -10.419 -1.556  10.321  1.000 33.259 0 624 HOH A O   1 ? 
HETATM 1864 O  O   . HOH D 4 .   ? -0.760  -40.973 -2.380  1.000 37.503 0 625 HOH A O   1 ? 
HETATM 1865 O  O   . HOH D 4 .   ? -21.345 -24.836 14.466  1.000 37.543 0 626 HOH A O   1 ? 
HETATM 1866 O  O   . HOH D 4 .   ? 3.352   -15.670 -9.377  1.000 26.871 0 627 HOH A O   1 ? 
HETATM 1867 O  O   . HOH D 4 .   ? 3.915   -29.941 27.872  1.000 32.535 0 628 HOH A O   1 ? 
HETATM 1868 O  O   . HOH D 4 .   ? -3.450  -9.415  12.872  1.000 22.605 0 629 HOH A O   1 ? 
HETATM 1869 O  O   . HOH D 4 .   ? -14.956 -10.005 20.246  1.000 12.508 0 630 HOH A O   1 ? 
HETATM 1870 O  O   . HOH D 4 .   ? 6.615   -32.949 22.259  1.000 19.107 0 631 HOH A O   1 ? 
HETATM 1871 O  O   . HOH D 4 .   ? -9.623  -14.059 33.401  1.000 37.136 0 632 HOH A O   1 ? 
HETATM 1872 O  O   . HOH D 4 .   ? -20.855 -9.811  13.966  1.000 20.304 0 633 HOH A O   1 ? 
HETATM 1873 O  O   . HOH D 4 .   ? -10.275 -20.618 36.977  1.000 36.937 0 634 HOH A O   1 ? 
HETATM 1874 O  O   . HOH D 4 .   ? -1.431  -8.431  21.162  1.000 16.130 0 635 HOH A O   1 ? 
HETATM 1875 O  O   . HOH D 4 .   ? -1.914  -38.688 1.800   1.000 29.213 0 636 HOH A O   1 ? 
HETATM 1876 O  O   . HOH D 4 .   ? -18.592 -28.306 17.717  1.000 32.497 0 637 HOH A O   1 ? 
HETATM 1877 O  O   . HOH D 4 .   ? -8.848  -26.029 21.150  1.000 22.382 0 638 HOH A O   1 ? 
HETATM 1878 O  O   . HOH D 4 .   ? -8.424  -37.560 2.905   1.000 24.530 0 639 HOH A O   1 ? 
HETATM 1879 O  O   . HOH D 4 .   ? -3.833  -14.810 -12.228 1.000 36.683 0 640 HOH A O   1 ? 
HETATM 1880 O  O   . HOH D 4 .   ? -21.862 -30.381 3.225   1.000 28.912 0 641 HOH A O   1 ? 
HETATM 1881 O  O   . HOH D 4 .   ? -18.695 -5.415  17.064  1.000 29.100 0 642 HOH A O   1 ? 
HETATM 1882 O  O   . HOH D 4 .   ? -7.622  -36.927 -0.344  1.000 23.697 0 643 HOH A O   1 ? 
HETATM 1883 O  O   . HOH D 4 .   ? -11.351 -34.614 2.048   1.000 29.799 0 644 HOH A O   1 ? 
HETATM 1884 O  O   . HOH D 4 .   ? -20.062 -24.326 18.407  1.000 33.988 0 645 HOH A O   1 ? 
HETATM 1885 O  O   . HOH D 4 .   ? -14.800 -4.865  11.849  1.000 21.051 0 646 HOH A O   1 ? 
HETATM 1886 O  O   . HOH D 4 .   ? -20.937 -8.973  11.571  1.000 25.512 0 647 HOH A O   1 ? 
HETATM 1887 O  O   . HOH D 4 .   ? -12.851 -9.483  22.053  1.000 12.201 0 648 HOH A O   1 ? 
HETATM 1888 O  O   . HOH D 4 .   ? 12.129  -37.989 -3.710  1.000 43.838 0 649 HOH A O   1 ? 
HETATM 1889 O  O   . HOH D 4 .   ? 6.092   -32.854 25.412  1.000 37.680 0 650 HOH A O   1 ? 
HETATM 1890 O  O   . HOH D 4 .   ? -21.679 -18.968 10.149  1.000 29.826 0 651 HOH A O   1 ? 
HETATM 1891 O  O   . HOH D 4 .   ? 12.720  -31.464 -1.408  1.000 16.504 0 652 HOH A O   1 ? 
HETATM 1892 O  O   . HOH D 4 .   ? -10.152 -35.214 -4.237  1.000 17.463 0 653 HOH A O   1 ? 
HETATM 1893 O  O   . HOH D 4 .   ? -7.855  -33.758 20.207  1.000 24.947 0 654 HOH A O   1 ? 
HETATM 1894 O  O   . HOH D 4 .   ? 3.635   -32.312 -8.421  1.000 25.174 0 655 HOH A O   1 ? 
HETATM 1895 O  O   . HOH D 4 .   ? -0.043  -17.433 -12.558 1.000 31.563 0 656 HOH A O   1 ? 
HETATM 1896 O  O   . HOH D 4 .   ? 10.985  -15.559 3.999   1.000 25.196 0 657 HOH A O   1 ? 
HETATM 1897 O  O   . HOH D 4 .   ? 16.208  -30.742 1.398   1.000 27.315 0 658 HOH A O   1 ? 
HETATM 1898 O  O   . HOH D 4 .   ? -18.861 -7.316  10.589  1.000 19.833 0 659 HOH A O   1 ? 
HETATM 1899 O  O   . HOH D 4 .   ? 4.883   -34.556 13.923  1.000 17.000 0 660 HOH A O   1 ? 
HETATM 1900 O  O   . HOH D 4 .   ? -19.110 -32.057 10.292  1.000 41.104 0 661 HOH A O   1 ? 
HETATM 1901 O  O   . HOH D 4 .   ? 0.544   -7.741  15.075  1.000 30.987 0 662 HOH A O   1 ? 
HETATM 1902 O  O   . HOH D 4 .   ? 3.141   -37.435 16.107  1.000 23.483 0 663 HOH A O   1 ? 
HETATM 1903 O  O   . HOH D 4 .   ? -7.076  -33.469 -10.374 1.000 33.615 0 664 HOH A O   1 ? 
HETATM 1904 O  O   . HOH D 4 .   ? -19.932 -18.937 14.057  1.000 24.160 0 665 HOH A O   1 ? 
HETATM 1905 O  O   . HOH D 4 .   ? -19.583 -30.415 -0.660  1.000 19.951 0 666 HOH A O   1 ? 
HETATM 1906 O  O   . HOH D 4 .   ? 2.300   -38.521 -7.499  1.000 33.483 0 667 HOH A O   1 ? 
HETATM 1907 O  O   . HOH D 4 .   ? -19.624 -30.684 18.833  1.000 38.670 0 668 HOH A O   1 ? 
HETATM 1908 O  O   . HOH D 4 .   ? -15.879 -12.341 23.851  1.000 37.501 0 669 HOH A O   1 ? 
HETATM 1909 O  O   . HOH D 4 .   ? 14.384  -32.864 13.928  1.000 11.967 0 670 HOH A O   1 ? 
HETATM 1910 O  O   . HOH D 4 .   ? -17.574 -25.712 22.544  1.000 29.945 0 671 HOH A O   1 ? 
HETATM 1911 O  O   . HOH D 4 .   ? -4.986  -27.334 32.103  1.000 20.298 0 672 HOH A O   1 ? 
HETATM 1912 O  O   . HOH D 4 .   ? -2.238  -6.188  -1.197  1.000 38.476 0 673 HOH A O   1 ? 
HETATM 1913 O  O   . HOH D 4 .   ? -9.127  -7.532  21.881  1.000 20.124 0 674 HOH A O   1 ? 
HETATM 1914 O  O   . HOH D 4 .   ? -11.730 -18.144 33.240  1.000 24.648 0 675 HOH A O   1 ? 
HETATM 1915 O  O   . HOH D 4 .   ? 16.085  -29.021 16.312  1.000 29.575 0 676 HOH A O   1 ? 
HETATM 1916 O  O   . HOH D 4 .   ? 16.685  -31.224 10.334  1.000 29.170 0 677 HOH A O   1 ? 
HETATM 1917 O  O   . HOH D 4 .   ? 15.061  -32.674 2.636   1.000 28.974 0 678 HOH A O   1 ? 
HETATM 1918 O  O   . HOH D 4 .   ? -9.057  -30.990 -12.320 1.000 20.838 0 679 HOH A O   1 ? 
HETATM 1919 O  O   . HOH D 4 .   ? -2.257  -19.575 34.233  1.000 26.752 0 680 HOH A O   1 ? 
HETATM 1920 O  O   . HOH D 4 .   ? 2.562   -34.393 15.488  1.000 19.454 0 681 HOH A O   1 ? 
HETATM 1921 O  O   . HOH D 4 .   ? 12.522  -34.597 -0.867  1.000 27.819 0 682 HOH A O   1 ? 
HETATM 1922 O  O   . HOH D 4 .   ? 1.168   -30.065 28.933  1.000 18.884 0 683 HOH A O   1 ? 
HETATM 1923 O  O   . HOH D 4 .   ? -12.743 -20.488 34.978  1.000 30.108 0 684 HOH A O   1 ? 
HETATM 1924 O  O   . HOH D 4 .   ? -14.212 -24.062 31.346  1.000 23.689 0 685 HOH A O   1 ? 
HETATM 1925 O  O   . HOH D 4 .   ? -19.701 -9.731  18.585  1.000 23.236 0 686 HOH A O   1 ? 
HETATM 1926 O  O   . HOH D 4 .   ? 17.457  -27.837 -4.707  1.000 27.661 0 687 HOH A O   1 ? 
HETATM 1927 O  O   . HOH D 4 .   ? -12.835 -25.048 29.351  1.000 25.994 0 688 HOH A O   1 ? 
HETATM 1928 O  O   . HOH D 4 .   ? -5.211  -22.595 37.111  1.000 35.402 0 689 HOH A O   1 ? 
HETATM 1929 O  O   . HOH D 4 .   ? -7.882  -36.479 -5.301  1.000 34.849 0 690 HOH A O   1 ? 
HETATM 1930 O  O   . HOH D 4 .   ? 0.480   -27.347 29.211  1.000 13.395 0 691 HOH A O   1 ? 
HETATM 1931 O  O   . HOH D 4 .   ? 6.109   -30.468 -11.763 1.000 35.567 0 692 HOH A O   1 ? 
HETATM 1932 O  O   . HOH D 4 .   ? 8.358   -15.158 39.042  1.000 51.303 0 693 HOH A O   1 ? 
HETATM 1933 O  O   . HOH D 4 .   ? 0.652   -34.650 13.269  1.000 20.391 0 694 HOH A O   1 ? 
HETATM 1934 O  O   . HOH D 4 .   ? 13.329  -11.730 27.545  1.000 42.915 0 695 HOH A O   1 ? 
HETATM 1935 O  O   . HOH D 4 .   ? 0.274   -36.759 21.408  1.000 33.695 0 696 HOH A O   1 ? 
HETATM 1936 O  O   . HOH D 4 .   ? 9.800   -21.886 33.166  1.000 65.802 0 697 HOH A O   1 ? 
HETATM 1937 O  O   . HOH D 4 .   ? 11.928  -22.353 31.826  1.000 45.989 0 698 HOH A O   1 ? 
HETATM 1938 O  O   . HOH D 4 .   ? 0.651   -23.969 31.950  1.000 14.572 0 699 HOH A O   1 ? 
HETATM 1939 O  O   . HOH D 4 .   ? -16.646 -8.509  25.283  1.000 37.175 0 700 HOH A O   1 ? 
HETATM 1940 O  O   . HOH D 4 .   ? -3.845  -26.990 34.782  1.000 31.531 0 701 HOH A O   1 ? 
HETATM 1941 O  O   . HOH D 4 .   ? 5.010   -32.632 -12.052 1.000 35.763 0 702 HOH A O   1 ? 
HETATM 1942 O  O   . HOH D 4 .   ? -17.169 -12.691 27.541  1.000 66.137 0 703 HOH A O   1 ? 
HETATM 1943 O  O   . HOH D 4 .   ? 5.024   -31.761 29.889  1.000 32.641 0 704 HOH A O   1 ? 
HETATM 1944 O  O   . HOH D 4 .   ? -16.422 -6.492  21.480  1.000 28.765 0 705 HOH A O   1 ? 
HETATM 1945 O  O   . HOH D 4 .   ? -18.541 -8.215  21.508  1.000 42.634 0 706 HOH A O   1 ? 
HETATM 1946 O  O   . HOH D 4 .   ? 0.611   -26.693 31.879  1.000 20.364 0 707 HOH A O   1 ? 
HETATM 1947 O  O   . HOH D 4 .   ? -24.528 -19.238 11.822  1.000 38.499 0 708 HOH A O   1 ? 
HETATM 1948 O  O   . HOH D 4 .   ? -19.539 -12.426 25.567  1.000 46.634 0 709 HOH A O   1 ? 
# 
