data_9AVZ
# 
_entry.id   9AVZ 
# 
_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   9AVZ         pdb_00009avz 10.2210/pdb9avz/pdb 
WWPDB D_1000282135 ?            ?                   
# 
_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                        9AVZ 
_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 (triplicate)' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Lima, L.M.T.R.'    1 0000-0001-6020-0504 
primary 'de Sa Ribeiro, F.' 2 0000-0002-8521-6745 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Cationic trypsin' 23324.287 1   3.4.21.4 ? ? ? 
2 non-polymer syn 'CALCIUM ION'      40.078    1   ?        ? ? ? 
3 non-polymer syn BENZAMIDINE        120.152   1   ?        ? ? ? 
4 water       nat water              18.015    268 ?        ? ? ? 
# 
_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   401 233 HOH HOH A . 
D 4 HOH 2   402 162 HOH HOH A . 
D 4 HOH 3   403 27  HOH HOH A . 
D 4 HOH 4   404 54  HOH HOH A . 
D 4 HOH 5   405 26  HOH HOH A . 
D 4 HOH 6   406 136 HOH HOH A . 
D 4 HOH 7   407 139 HOH HOH A . 
D 4 HOH 8   408 181 HOH HOH A . 
D 4 HOH 9   409 189 HOH HOH A . 
D 4 HOH 10  410 3   HOH HOH A . 
D 4 HOH 11  411 157 HOH HOH A . 
D 4 HOH 12  412 48  HOH HOH A . 
D 4 HOH 13  413 63  HOH HOH A . 
D 4 HOH 14  414 22  HOH HOH A . 
D 4 HOH 15  415 160 HOH HOH A . 
D 4 HOH 16  416 204 HOH HOH A . 
D 4 HOH 17  417 205 HOH HOH A . 
D 4 HOH 18  418 90  HOH HOH A . 
D 4 HOH 19  419 124 HOH HOH A . 
D 4 HOH 20  420 133 HOH HOH A . 
D 4 HOH 21  421 1   HOH HOH A . 
D 4 HOH 22  422 4   HOH HOH A . 
D 4 HOH 23  423 49  HOH HOH A . 
D 4 HOH 24  424 209 HOH HOH A . 
D 4 HOH 25  425 169 HOH HOH A . 
D 4 HOH 26  426 143 HOH HOH A . 
D 4 HOH 27  427 20  HOH HOH A . 
D 4 HOH 28  428 182 HOH HOH A . 
D 4 HOH 29  429 218 HOH HOH A . 
D 4 HOH 30  430 123 HOH HOH A . 
D 4 HOH 31  431 215 HOH HOH A . 
D 4 HOH 32  432 107 HOH HOH A . 
D 4 HOH 33  433 262 HOH HOH A . 
D 4 HOH 34  434 66  HOH HOH A . 
D 4 HOH 35  435 98  HOH HOH A . 
D 4 HOH 36  436 149 HOH HOH A . 
D 4 HOH 37  437 178 HOH HOH A . 
D 4 HOH 38  438 201 HOH HOH A . 
D 4 HOH 39  439 219 HOH HOH A . 
D 4 HOH 40  440 188 HOH HOH A . 
D 4 HOH 41  441 36  HOH HOH A . 
D 4 HOH 42  442 130 HOH HOH A . 
D 4 HOH 43  443 83  HOH HOH A . 
D 4 HOH 44  444 88  HOH HOH A . 
D 4 HOH 45  445 38  HOH HOH A . 
D 4 HOH 46  446 5   HOH HOH A . 
D 4 HOH 47  447 153 HOH HOH A . 
D 4 HOH 48  448 114 HOH HOH A . 
D 4 HOH 49  449 50  HOH HOH A . 
D 4 HOH 50  450 70  HOH HOH A . 
D 4 HOH 51  451 85  HOH HOH A . 
D 4 HOH 52  452 40  HOH HOH A . 
D 4 HOH 53  453 56  HOH HOH A . 
D 4 HOH 54  454 12  HOH HOH A . 
D 4 HOH 55  455 91  HOH HOH A . 
D 4 HOH 56  456 198 HOH HOH A . 
D 4 HOH 57  457 171 HOH HOH A . 
D 4 HOH 58  458 193 HOH HOH A . 
D 4 HOH 59  459 120 HOH HOH A . 
D 4 HOH 60  460 245 HOH HOH A . 
D 4 HOH 61  461 43  HOH HOH A . 
D 4 HOH 62  462 78  HOH HOH A . 
D 4 HOH 63  463 101 HOH HOH A . 
D 4 HOH 64  464 7   HOH HOH A . 
D 4 HOH 65  465 34  HOH HOH A . 
D 4 HOH 66  466 115 HOH HOH A . 
D 4 HOH 67  467 196 HOH HOH A . 
D 4 HOH 68  468 125 HOH HOH A . 
D 4 HOH 69  469 226 HOH HOH A . 
D 4 HOH 70  470 99  HOH HOH A . 
D 4 HOH 71  471 134 HOH HOH A . 
D 4 HOH 72  472 217 HOH HOH A . 
D 4 HOH 73  473 14  HOH HOH A . 
D 4 HOH 74  474 82  HOH HOH A . 
D 4 HOH 75  475 129 HOH HOH A . 
D 4 HOH 76  476 74  HOH HOH A . 
D 4 HOH 77  477 75  HOH HOH A . 
D 4 HOH 78  478 165 HOH HOH A . 
D 4 HOH 79  479 119 HOH HOH A . 
D 4 HOH 80  480 235 HOH HOH A . 
D 4 HOH 81  481 2   HOH HOH A . 
D 4 HOH 82  482 251 HOH HOH A . 
D 4 HOH 83  483 42  HOH HOH A . 
D 4 HOH 84  484 13  HOH HOH A . 
D 4 HOH 85  485 212 HOH HOH A . 
D 4 HOH 86  486 41  HOH HOH A . 
D 4 HOH 87  487 6   HOH HOH A . 
D 4 HOH 88  488 244 HOH HOH A . 
D 4 HOH 89  489 51  HOH HOH A . 
D 4 HOH 90  490 65  HOH HOH A . 
D 4 HOH 91  491 53  HOH HOH A . 
D 4 HOH 92  492 131 HOH HOH A . 
D 4 HOH 93  493 28  HOH HOH A . 
D 4 HOH 94  494 121 HOH HOH A . 
D 4 HOH 95  495 194 HOH HOH A . 
D 4 HOH 96  496 214 HOH HOH A . 
D 4 HOH 97  497 45  HOH HOH A . 
D 4 HOH 98  498 89  HOH HOH A . 
D 4 HOH 99  499 24  HOH HOH A . 
D 4 HOH 100 500 23  HOH HOH A . 
D 4 HOH 101 501 64  HOH HOH A . 
D 4 HOH 102 502 9   HOH HOH A . 
D 4 HOH 103 503 175 HOH HOH A . 
D 4 HOH 104 504 173 HOH HOH A . 
D 4 HOH 105 505 16  HOH HOH A . 
D 4 HOH 106 506 137 HOH HOH A . 
D 4 HOH 107 507 31  HOH HOH A . 
D 4 HOH 108 508 183 HOH HOH A . 
D 4 HOH 109 509 58  HOH HOH A . 
D 4 HOH 110 510 35  HOH HOH A . 
D 4 HOH 111 511 80  HOH HOH A . 
D 4 HOH 112 512 15  HOH HOH A . 
D 4 HOH 113 513 8   HOH HOH A . 
D 4 HOH 114 514 135 HOH HOH A . 
D 4 HOH 115 515 150 HOH HOH A . 
D 4 HOH 116 516 180 HOH HOH A . 
D 4 HOH 117 517 25  HOH HOH A . 
D 4 HOH 118 518 69  HOH HOH A . 
D 4 HOH 119 519 252 HOH HOH A . 
D 4 HOH 120 520 71  HOH HOH A . 
D 4 HOH 121 521 249 HOH HOH A . 
D 4 HOH 122 522 96  HOH HOH A . 
D 4 HOH 123 523 225 HOH HOH A . 
D 4 HOH 124 524 94  HOH HOH A . 
D 4 HOH 125 525 237 HOH HOH A . 
D 4 HOH 126 526 32  HOH HOH A . 
D 4 HOH 127 527 60  HOH HOH A . 
D 4 HOH 128 528 93  HOH HOH A . 
D 4 HOH 129 529 92  HOH HOH A . 
D 4 HOH 130 530 44  HOH HOH A . 
D 4 HOH 131 531 265 HOH HOH A . 
D 4 HOH 132 532 97  HOH HOH A . 
D 4 HOH 133 533 257 HOH HOH A . 
D 4 HOH 134 534 110 HOH HOH A . 
D 4 HOH 135 535 116 HOH HOH A . 
D 4 HOH 136 536 87  HOH HOH A . 
D 4 HOH 137 537 57  HOH HOH A . 
D 4 HOH 138 538 29  HOH HOH A . 
D 4 HOH 139 539 231 HOH HOH A . 
D 4 HOH 140 540 61  HOH HOH A . 
D 4 HOH 141 541 73  HOH HOH A . 
D 4 HOH 142 542 81  HOH HOH A . 
D 4 HOH 143 543 132 HOH HOH A . 
D 4 HOH 144 544 176 HOH HOH A . 
D 4 HOH 145 545 242 HOH HOH A . 
D 4 HOH 146 546 111 HOH HOH A . 
D 4 HOH 147 547 104 HOH HOH A . 
D 4 HOH 148 548 117 HOH HOH A . 
D 4 HOH 149 549 122 HOH HOH A . 
D 4 HOH 150 550 76  HOH HOH A . 
D 4 HOH 151 551 203 HOH HOH A . 
D 4 HOH 152 552 19  HOH HOH A . 
D 4 HOH 153 553 39  HOH HOH A . 
D 4 HOH 154 554 105 HOH HOH A . 
D 4 HOH 155 555 228 HOH HOH A . 
D 4 HOH 156 556 102 HOH HOH A . 
D 4 HOH 157 557 52  HOH HOH A . 
D 4 HOH 158 558 62  HOH HOH A . 
D 4 HOH 159 559 140 HOH HOH A . 
D 4 HOH 160 560 238 HOH HOH A . 
D 4 HOH 161 561 191 HOH HOH A . 
D 4 HOH 162 562 266 HOH HOH A . 
D 4 HOH 163 563 33  HOH HOH A . 
D 4 HOH 164 564 10  HOH HOH A . 
D 4 HOH 165 565 59  HOH HOH A . 
D 4 HOH 166 566 112 HOH HOH A . 
D 4 HOH 167 567 128 HOH HOH A . 
D 4 HOH 168 568 47  HOH HOH A . 
D 4 HOH 169 569 259 HOH HOH A . 
D 4 HOH 170 570 17  HOH HOH A . 
D 4 HOH 171 571 211 HOH HOH A . 
D 4 HOH 172 572 141 HOH HOH A . 
D 4 HOH 173 573 243 HOH HOH A . 
D 4 HOH 174 574 106 HOH HOH A . 
D 4 HOH 175 575 11  HOH HOH A . 
D 4 HOH 176 576 46  HOH HOH A . 
D 4 HOH 177 577 161 HOH HOH A . 
D 4 HOH 178 578 18  HOH HOH A . 
D 4 HOH 179 579 168 HOH HOH A . 
D 4 HOH 180 580 152 HOH HOH A . 
D 4 HOH 181 581 108 HOH HOH A . 
D 4 HOH 182 582 126 HOH HOH A . 
D 4 HOH 183 583 227 HOH HOH A . 
D 4 HOH 184 584 151 HOH HOH A . 
D 4 HOH 185 585 264 HOH HOH A . 
D 4 HOH 186 586 190 HOH HOH A . 
D 4 HOH 187 587 86  HOH HOH A . 
D 4 HOH 188 588 30  HOH HOH A . 
D 4 HOH 189 589 95  HOH HOH A . 
D 4 HOH 190 590 142 HOH HOH A . 
D 4 HOH 191 591 179 HOH HOH A . 
D 4 HOH 192 592 103 HOH HOH A . 
D 4 HOH 193 593 37  HOH HOH A . 
D 4 HOH 194 594 21  HOH HOH A . 
D 4 HOH 195 595 232 HOH HOH A . 
D 4 HOH 196 596 156 HOH HOH A . 
D 4 HOH 197 597 186 HOH HOH A . 
D 4 HOH 198 598 254 HOH HOH A . 
D 4 HOH 199 599 185 HOH HOH A . 
D 4 HOH 200 600 246 HOH HOH A . 
D 4 HOH 201 601 155 HOH HOH A . 
D 4 HOH 202 602 234 HOH HOH A . 
D 4 HOH 203 603 163 HOH HOH A . 
D 4 HOH 204 604 146 HOH HOH A . 
D 4 HOH 205 605 268 HOH HOH A . 
D 4 HOH 206 606 200 HOH HOH A . 
D 4 HOH 207 607 199 HOH HOH A . 
D 4 HOH 208 608 195 HOH HOH A . 
D 4 HOH 209 609 236 HOH HOH A . 
D 4 HOH 210 610 267 HOH HOH A . 
D 4 HOH 211 611 72  HOH HOH A . 
D 4 HOH 212 612 213 HOH HOH A . 
D 4 HOH 213 613 177 HOH HOH A . 
D 4 HOH 214 614 118 HOH HOH A . 
D 4 HOH 215 615 247 HOH HOH A . 
D 4 HOH 216 616 221 HOH HOH A . 
D 4 HOH 217 617 100 HOH HOH A . 
D 4 HOH 218 618 55  HOH HOH A . 
D 4 HOH 219 619 167 HOH HOH A . 
D 4 HOH 220 620 147 HOH HOH A . 
D 4 HOH 221 621 77  HOH HOH A . 
D 4 HOH 222 622 184 HOH HOH A . 
D 4 HOH 223 623 79  HOH HOH A . 
D 4 HOH 224 624 223 HOH HOH A . 
D 4 HOH 225 625 145 HOH HOH A . 
D 4 HOH 226 626 255 HOH HOH A . 
D 4 HOH 227 627 113 HOH HOH A . 
D 4 HOH 228 628 258 HOH HOH A . 
D 4 HOH 229 629 224 HOH HOH A . 
D 4 HOH 230 630 148 HOH HOH A . 
D 4 HOH 231 631 109 HOH HOH A . 
D 4 HOH 232 632 172 HOH HOH A . 
D 4 HOH 233 633 241 HOH HOH A . 
D 4 HOH 234 634 239 HOH HOH A . 
D 4 HOH 235 635 240 HOH HOH A . 
D 4 HOH 236 636 158 HOH HOH A . 
D 4 HOH 237 637 261 HOH HOH A . 
D 4 HOH 238 638 216 HOH HOH A . 
D 4 HOH 239 639 166 HOH HOH A . 
D 4 HOH 240 640 220 HOH HOH A . 
D 4 HOH 241 641 154 HOH HOH A . 
D 4 HOH 242 642 174 HOH HOH A . 
D 4 HOH 243 643 84  HOH HOH A . 
D 4 HOH 244 644 187 HOH HOH A . 
D 4 HOH 245 645 248 HOH HOH A . 
D 4 HOH 246 646 250 HOH HOH A . 
D 4 HOH 247 647 144 HOH HOH A . 
D 4 HOH 248 648 256 HOH HOH A . 
D 4 HOH 249 649 170 HOH HOH A . 
D 4 HOH 250 650 222 HOH HOH A . 
D 4 HOH 251 651 230 HOH HOH A . 
D 4 HOH 252 652 127 HOH HOH A . 
D 4 HOH 253 653 260 HOH HOH A . 
D 4 HOH 254 654 67  HOH HOH A . 
D 4 HOH 255 655 192 HOH HOH A . 
D 4 HOH 256 656 253 HOH HOH A . 
D 4 HOH 257 657 197 HOH HOH A . 
D 4 HOH 258 658 138 HOH HOH A . 
D 4 HOH 259 659 207 HOH HOH A . 
D 4 HOH 260 660 208 HOH HOH A . 
D 4 HOH 261 661 164 HOH HOH A . 
D 4 HOH 262 662 68  HOH HOH A . 
D 4 HOH 263 663 210 HOH HOH A . 
D 4 HOH 264 664 202 HOH HOH A . 
D 4 HOH 265 665 159 HOH HOH A . 
D 4 HOH 266 666 229 HOH HOH A . 
D 4 HOH 267 667 206 HOH HOH A . 
D 4 HOH 268 668 263 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                     9AVZ 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     54.095 
_cell.length_a_esd                 ? 
_cell.length_b                     58.074 
_cell.length_b_esd                 ? 
_cell.length_c                     66.573 
_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                         9AVZ 
_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                   9AVZ 
_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             2.24 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          45.13 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              9.4 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_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                                       9AVZ 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.499 
_reflns.d_resolution_low                               24.531 
_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                                     31751 
_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                           92.47 
_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                          16.57 
_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                                   0.7452 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.5 
_reflns_shell.d_res_low                                     24.42 
_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                             1582 
_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                                  0.7452 
_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]                            0.231 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.178 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -0.053 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               7.867 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.924 
_refine.correlation_coeff_Fo_to_Fc_free          0.901 
_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                                 9AVZ 
_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                             24.531 
_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                     31751 
_refine.ls_number_reflns_R_free                  1582 
_refine.ls_number_reflns_R_work                  30169 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    92.485 
_refine.ls_percent_reflns_R_free                 4.983 
_refine.ls_R_factor_all                          0.207 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2330 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2058 
_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                      0.197 
_refine.ls_wR_factor_R_work                      0.172 
_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                       0.094 
_refine.pdbx_overall_ESU_R_Free                  0.092 
_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                             1.815 
_refine.overall_SU_ML                            0.065 
_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                    0.9548 
_refine.pdbx_average_fsc_free                    0.9487 
# 
_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                        24.531 
_refine_hist.number_atoms_solvent             268 
_refine_hist.number_atoms_total               1907 
_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' ? 1.719  1.758  2263 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.601  1.726  3563 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.101  5.000  222  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 16.029 5.000  3    ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 1.659  5.000  1    ? r_dihedral_angle_other_2_deg   ? ? 
'X-RAY DIFFRACTION' ? 11.562 10.000 269  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.385 10.000 58   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.084  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' ? 0.224  0.200  306  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.197  0.200  1450 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.177  0.200  848  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.086  0.200  926  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.300  0.200  164  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.155  0.200  4    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.172  0.200  8    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.211  0.200  39   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.269  0.200  25   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 0.006  0.200  1    ? r_symmetry_metal_ion_refined   ? ? 
'X-RAY DIFFRACTION' ? 0.882  0.735  891  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 0.881  0.734  891  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 1.441  1.317  1112 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 1.440  1.318  1113 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 1.413  0.837  778  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.412  0.837  779  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.245  1.461  1151 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.245  1.461  1151 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.052  11.458 1963 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.488  9.138  1883 ? 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  2468 . 79  1812 76.6207  . 0.364 . . 0.364 . . . . . 0.309 . 20 . 0.886 0.890 0.369 
'X-RAY DIFFRACTION' 1.538 1.580  2451 . 94  1944 83.1497  . 0.393 . . 0.393 . . . . . 0.335 . 20 . 0.838 0.836 0.390 
'X-RAY DIFFRACTION' 1.580 1.625  2353 . 84  1864 82.7879  . 0.333 . . 0.333 . . . . . 0.275 . 20 . 0.884 0.878 0.337 
'X-RAY DIFFRACTION' 1.625 1.675  2291 . 82  1746 79.7905  . 0.258 . . 0.256 . . . . . 0.208 . 20 . 0.941 0.940 0.302 
'X-RAY DIFFRACTION' 1.675 1.730  2234 . 93  1735 81.8263  . 0.229 . . 0.227 . . . . . 0.184 . 20 . 0.953 0.917 0.269 
'X-RAY DIFFRACTION' 1.730 1.790  2167 . 103 1832 89.2940  . 0.190 . . 0.188 . . . . . 0.156 . 20 . 0.974 0.955 0.226 
'X-RAY DIFFRACTION' 1.790 1.857  2087 . 115 1926 97.7959  . 0.182 . . 0.179 . . . . . 0.151 . 20 . 0.978 0.969 0.221 
'X-RAY DIFFRACTION' 1.857 1.933  2023 . 106 1909 99.6045  . 0.166 . . 0.165 . . . . . 0.141 . 20 . 0.982 0.980 0.178 
'X-RAY DIFFRACTION' 1.933 2.018  1934 . 106 1825 99.8449  . 0.176 . . 0.174 . . . . . 0.155 . 20 . 0.981 0.972 0.210 
'X-RAY DIFFRACTION' 2.018 2.116  1846 . 96  1747 99.8375  . 0.168 . . 0.166 . . . . . 0.148 . 20 . 0.983 0.975 0.205 
'X-RAY DIFFRACTION' 2.116 2.229  1772 . 77  1695 100.0000 . 0.184 . . 0.183 . . . . . 0.161 . 20 . 0.979 0.970 0.222 
'X-RAY DIFFRACTION' 2.229 2.363  1688 . 81  1606 99.9408  . 0.187 . . 0.185 . . . . . 0.163 . 20 . 0.978 0.969 0.219 
'X-RAY DIFFRACTION' 2.363 2.525  1591 . 90  1501 100.0000 . 0.195 . . 0.193 . . . . . 0.171 . 20 . 0.976 0.966 0.223 
'X-RAY DIFFRACTION' 2.525 2.725  1472 . 77  1394 99.9321  . 0.192 . . 0.190 . . . . . 0.171 . 20 . 0.976 0.967 0.220 
'X-RAY DIFFRACTION' 2.725 2.981  1363 . 68  1295 100.0000 . 0.199 . . 0.197 . . . . . 0.180 . 20 . 0.975 0.967 0.223 
'X-RAY DIFFRACTION' 2.981 3.327  1250 . 54  1192 99.6800  . 0.195 . . 0.194 . . . . . 0.180 . 20 . 0.977 0.965 0.227 
'X-RAY DIFFRACTION' 3.327 3.830  1124 . 60  1063 99.9110  . 0.175 . . 0.173 . . . . . 0.161 . 20 . 0.982 0.969 0.228 
'X-RAY DIFFRACTION' 3.830 4.662  954  . 54  898  99.7904  . 0.136 . . 0.134 . . . . . 0.134 . 20 . 0.990 0.987 0.164 
'X-RAY DIFFRACTION' 4.662 6.477  771  . 43  728  100.0000 . 0.173 . . 0.170 . . . . . 0.167 . 20 . 0.985 0.978 0.222 
'X-RAY DIFFRACTION' 6.477 24.531 479  . 20  457  99.5825  . 0.215 . . 0.215 . . . . . 0.213 . 20 . 0.971 0.971 0.223 
# 
_struct.entry_id                     9AVZ 
_struct.title                        'Crystal structure of trypsin at 100 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        9AVZ 
_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              9AVZ 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 223 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00760 
_struct_ref_seq.db_align_beg                  24 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  246 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       223 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0 
_pdbx_struct_oper_list.matrix[1][2]         0.0 
_pdbx_struct_oper_list.matrix[1][3]         0.0 
_pdbx_struct_oper_list.vector[1]            0.0 
_pdbx_struct_oper_list.matrix[2][1]         0.0 
_pdbx_struct_oper_list.matrix[2][2]         1.0 
_pdbx_struct_oper_list.matrix[2][3]         0.0 
_pdbx_struct_oper_list.vector[2]            0.0 
_pdbx_struct_oper_list.matrix[3][1]         0.0 
_pdbx_struct_oper_list.matrix[3][2]         0.0 
_pdbx_struct_oper_list.matrix[3][3]         1.0 
_pdbx_struct_oper_list.vector[3]            0.0 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ALA A 38  ? TYR A 42  ? ALA A 38  TYR A 42  5 ? 5  
HELX_P HELX_P2 AA2 SER A 144 ? TYR A 152 ? SER A 144 TYR A 152 1 ? 9  
HELX_P HELX_P3 AA3 TYR A 212 ? SER A 222 ? TYR A 212 SER A 222 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 7   SG  ? ? ? 1_555 A CYS 137 SG ? ? A CYS 7   A CYS 137 1_555 ? ? ? ? ? ? ? 2.023 ? ? 
disulf2 disulf ? ? A CYS 25  SG  ? ? ? 1_555 A CYS 41  SG ? ? A CYS 25  A CYS 41  1_555 ? ? ? ? ? ? ? 2.078 ? ? 
disulf3 disulf ? ? A CYS 109 SG  ? ? ? 1_555 A CYS 210 SG ? ? A CYS 109 A CYS 210 1_555 ? ? ? ? ? ? ? 2.080 ? ? 
disulf4 disulf ? ? A CYS 116 SG  ? ? ? 1_555 A CYS 183 SG ? ? A CYS 116 A CYS 183 1_555 ? ? ? ? ? ? ? 2.027 ? ? 
disulf5 disulf ? ? A CYS 148 SG  ? ? ? 1_555 A CYS 162 SG ? ? A CYS 148 A CYS 162 1_555 ? ? ? ? ? ? ? 2.010 ? ? 
disulf6 disulf ? ? A CYS 173 SG  ? ? ? 1_555 A CYS 197 SG ? ? A CYS 173 A CYS 197 1_555 ? ? ? ? ? ? ? 2.008 ? ? 
metalc1 metalc ? ? A GLU 52  OE1 ? ? ? 1_555 B CA  .   CA ? ? A GLU 52  A CA  301 1_555 ? ? ? ? ? ? ? 2.219 ? ? 
metalc2 metalc ? ? A ASN 54  O   ? ? ? 1_555 B CA  .   CA ? ? A ASN 54  A CA  301 1_555 ? ? ? ? ? ? ? 2.239 ? ? 
metalc3 metalc ? ? A VAL 57  O   ? ? ? 1_555 B CA  .   CA ? ? A VAL 57  A CA  301 1_555 ? ? ? ? ? ? ? 2.285 ? ? 
metalc4 metalc ? ? A GLU 62  OE2 ? ? ? 1_555 B CA  .   CA ? ? A GLU 62  A CA  301 1_555 ? ? ? ? ? ? ? 2.353 ? ? 
metalc5 metalc ? ? B CA  .   CA  ? ? ? 1_555 D HOH .   O  ? ? A CA  301 A HOH 525 1_555 ? ? ? ? ? ? ? 2.415 ? ? 
# 
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 90.2  ? 
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_555 165.4 ? 
3  O   ? A ASN 54 ? A ASN 54 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57  ? 1_555 81.7  ? 
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_555 103.3 ? 
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_555 158.0 ? 
6  O   ? A VAL 57 ? A VAL 57 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 88.3  ? 
7  OE1 ? A GLU 52 ? A GLU 52 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 525 ? 1_555 80.6  ? 
8  O   ? A ASN 54 ? A ASN 54 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 525 ? 1_555 103.9 ? 
9  O   ? A VAL 57 ? A VAL 57 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 525 ? 1_555 89.5  ? 
10 OE2 ? A GLU 62 ? A GLU 62 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 525 ? 1_555 95.5  ? 
# 
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 ARG A 49  ? O ARG A 49  N SER A 17  ? N SER A 17  
# 
_pdbx_entry_details.entry_id                   9AVZ 
_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 634 ? ? O A HOH 636 ? ? 1.88 
2 1 O A HOH 562 ? ? O A HOH 569 ? ? 2.13 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O A HOH 469 ? ? 1_555 O A HOH 474 ? ? 4_445 2.09 
2 1 O A HOH 540 ? ? 1_555 O A HOH 555 ? ? 3_545 2.11 
3 1 O A HOH 470 ? ? 1_555 O A HOH 640 ? ? 3_555 2.19 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASP A 53  ? ? -117.90 -80.14 
2 1 SER A 192 ? ? -121.47 -61.18 
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    ARG 
_pdbx_validate_planes.auth_asym_id    A 
_pdbx_validate_planes.auth_seq_id     49 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.label_alt_id    ? 
_pdbx_validate_planes.rmsd            0.100 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
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                    9AVZ 
_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]   0.018486 
_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]   0.017219 
_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]   0.015021 
_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   ? 7.986   -19.637 13.310  1.000 3.938  0 1   ILE A N   1 ? 
ATOM   2    C  CA  . ILE A 1 1   ? 8.037   -20.528 14.513  1.000 4.080  0 1   ILE A CA  1 ? 
ATOM   3    C  C   . ILE A 1 1   ? 9.323   -20.206 15.289  1.000 4.158  0 1   ILE A C   1 ? 
ATOM   4    O  O   . ILE A 1 1   ? 10.441  -20.322 14.742  1.000 4.248  0 1   ILE A O   1 ? 
ATOM   5    C  CB  . ILE A 1 1   ? 8.001   -22.000 14.024  1.000 3.986  0 1   ILE A CB  1 ? 
ATOM   6    C  CG1 . ILE A 1 1   ? 6.813   -22.340 13.102  1.000 4.147  0 1   ILE A CG1 1 ? 
ATOM   7    C  CG2 . ILE A 1 1   ? 7.994   -22.919 15.236  1.000 3.885  0 1   ILE A CG2 1 ? 
ATOM   8    C  CD1 . ILE A 1 1   ? 5.475   -22.351 13.821  1.000 4.253  0 1   ILE A CD1 1 ? 
ATOM   9    N  N   . VAL A 1 2   ? 9.170   -19.932 16.589  1.000 4.261  0 2   VAL A N   1 ? 
ATOM   10   C  CA  . VAL A 1 2   ? 10.294  -19.709 17.491  1.000 4.357  0 2   VAL A CA  1 ? 
ATOM   11   C  C   . VAL A 1 2   ? 10.479  -20.956 18.335  1.000 4.639  0 2   VAL A C   1 ? 
ATOM   12   O  O   . VAL A 1 2   ? 9.528   -21.427 18.962  1.000 4.732  0 2   VAL A O   1 ? 
ATOM   13   C  CB  . VAL A 1 2   ? 10.046  -18.465 18.371  1.000 4.398  0 2   VAL A CB  1 ? 
ATOM   14   C  CG1 . VAL A 1 2   ? 11.131  -18.266 19.424  1.000 4.727  0 2   VAL A CG1 1 ? 
ATOM   15   C  CG2 . VAL A 1 2   ? 9.850   -17.217 17.511  1.000 4.423  0 2   VAL A CG2 1 ? 
ATOM   16   N  N   . GLY A 1 3   ? 11.744  -21.410 18.432  1.000 4.933  0 3   GLY A N   1 ? 
ATOM   17   C  CA  . GLY A 1 3   ? 12.052  -22.527 19.304  1.000 5.476  0 3   GLY A CA  1 ? 
ATOM   18   C  C   . GLY A 1 3   ? 11.519  -23.876 18.804  1.000 5.705  0 3   GLY A C   1 ? 
ATOM   19   O  O   . GLY A 1 3   ? 11.368  -24.807 19.623  1.000 6.288  0 3   GLY A O   1 ? 
ATOM   20   N  N   . GLY A 1 4   ? 11.268  -23.973 17.492  1.000 6.283  0 4   GLY A N   1 ? 
ATOM   21   C  CA  . GLY A 1 4   ? 10.830  -25.222 16.873  1.000 6.542  0 4   GLY A CA  1 ? 
ATOM   22   C  C   . GLY A 1 4   ? 11.970  -25.984 16.204  1.000 6.771  0 4   GLY A C   1 ? 
ATOM   23   O  O   . GLY A 1 4   ? 13.141  -25.862 16.608  1.000 7.105  0 4   GLY A O   1 ? 
ATOM   24   N  N   . TYR A 1 5   ? 11.595  -26.760 15.186  1.000 5.853  0 5   TYR A N   1 ? 
ATOM   25   C  CA  . TYR A 1 5   ? 12.524  -27.621 14.491  1.000 5.961  0 5   TYR A CA  1 ? 
ATOM   26   C  C   . TYR A 1 5   ? 12.192  -27.636 13.005  1.000 5.843  0 5   TYR A C   1 ? 
ATOM   27   O  O   . TYR A 1 5   ? 11.089  -27.310 12.556  1.000 6.311  0 5   TYR A O   1 ? 
ATOM   28   C  CB  . TYR A 1 5   ? 12.558  -29.013 15.136  1.000 5.882  0 5   TYR A CB  1 ? 
ATOM   29   C  CG  . TYR A 1 5   ? 11.245  -29.756 15.024  1.000 5.564  0 5   TYR A CG  1 ? 
ATOM   30   C  CD1 . TYR A 1 5   ? 10.255  -29.510 15.956  1.000 5.805  0 5   TYR A CD1 1 ? 
ATOM   31   C  CD2 . TYR A 1 5   ? 10.981  -30.698 14.023  1.000 5.153  0 5   TYR A CD2 1 ? 
ATOM   32   C  CE1 . TYR A 1 5   ? 9.039   -30.167 15.895  1.000 5.746  0 5   TYR A CE1 1 ? 
ATOM   33   C  CE2 . TYR A 1 5   ? 9.739   -31.334 13.944  1.000 5.483  0 5   TYR A CE2 1 ? 
ATOM   34   C  CZ  . TYR A 1 5   ? 8.760   -31.033 14.871  1.000 5.598  0 5   TYR A CZ  1 ? 
ATOM   35   O  OH  . TYR A 1 5   ? 7.535   -31.663 14.832  1.000 6.420  0 5   TYR A OH  1 ? 
ATOM   36   N  N   . THR A 1 6   ? 13.174  -28.081 12.213  1.000 6.130  0 6   THR A N   1 ? 
ATOM   37   C  CA  . THR A 1 6   ? 12.985  -28.235 10.780  1.000 5.904  0 6   THR A CA  1 ? 
ATOM   38   C  C   . THR A 1 6   ? 12.076  -29.433 10.554  1.000 6.171  0 6   THR A C   1 ? 
ATOM   39   O  O   . THR A 1 6   ? 12.374  -30.562 10.977  1.000 6.233  0 6   THR A O   1 ? 
ATOM   40   C  CB  . THR A 1 6   ? 14.312  -28.407 10.046  1.000 5.925  0 6   THR A CB  1 ? 
ATOM   41   O  OG1 . THR A 1 6   ? 15.017  -27.183 10.238  1.000 5.913  0 6   THR A OG1 1 ? 
ATOM   42   C  CG2 . THR A 1 6   ? 14.151  -28.771 8.583   1.000 6.363  0 6   THR A CG2 1 ? 
ATOM   43   N  N   . CYS A 1 7   ? 10.947  -29.190 9.889   1.000 6.119  0 7   CYS A N   1 ? 
ATOM   44   C  CA  . CYS A 1 7   ? 9.929   -30.239 9.834   1.000 5.579  0 7   CYS A CA  1 ? 
ATOM   45   C  C   . CYS A 1 7   ? 10.447  -31.440 9.047   1.000 5.699  0 7   CYS A C   1 ? 
ATOM   46   O  O   . CYS A 1 7   ? 10.198  -32.574 9.413   1.000 5.840  0 7   CYS A O   1 ? 
ATOM   47   C  CB  . CYS A 1 7   ? 8.675   -29.802 9.083   1.000 5.395  0 7   CYS A CB  1 ? 
ATOM   48   S  SG  . CYS A 1 7   ? 7.825   -28.409 9.850   1.000 4.989  0 7   CYS A SG  1 ? 
ATOM   49   N  N   . GLY A 1 8   ? 11.117  -31.152 7.932   1.000 5.531  0 8   GLY A N   1 ? 
ATOM   50   C  CA  . GLY A 1 8   ? 11.424  -32.147 6.931   1.000 5.917  0 8   GLY A CA  1 ? 
ATOM   51   C  C   . GLY A 1 8   ? 10.546  -31.891 5.730   1.000 5.873  0 8   GLY A C   1 ? 
ATOM   52   O  O   . GLY A 1 8   ? 9.341   -31.636 5.861   1.000 5.759  0 8   GLY A O   1 ? 
ATOM   53   N  N   . ALA A 1 9   ? 11.169  -31.983 4.546   1.000 6.461  0 9   ALA A N   1 ? 
ATOM   54   C  CA  . ALA A 1 9   ? 10.503  -31.659 3.297   1.000 6.586  0 9   ALA A CA  1 ? 
ATOM   55   C  C   . ALA A 1 9   ? 9.240   -32.507 3.110   1.000 6.546  0 9   ALA A C   1 ? 
ATOM   56   O  O   . ALA A 1 9   ? 9.278   -33.741 3.143   1.000 6.253  0 9   ALA A O   1 ? 
ATOM   57   C  CB  . ALA A 1 9   ? 11.436  -31.828 2.116   1.000 6.841  0 9   ALA A CB  1 ? 
ATOM   58   N  N   . ASN A 1 10  ? 8.110   -31.807 2.961   1.000 6.175  0 10  ASN A N   1 ? 
ATOM   59   C  CA  . ASN A 1 10  ? 6.835   -32.387 2.585   1.000 6.385  0 10  ASN A CA  1 ? 
ATOM   60   C  C   . ASN A 1 10  ? 6.299   -33.323 3.661   1.000 6.102  0 10  ASN A C   1 ? 
ATOM   61   O  O   . ASN A 1 10  ? 5.407   -34.126 3.370   1.000 6.917  0 10  ASN A O   1 ? 
ATOM   62   C  CB  . ASN A 1 10  ? 6.892   -33.098 1.243   1.000 7.048  0 10  ASN A CB  1 ? 
ATOM   63   C  CG  . ASN A 1 10  ? 7.452   -32.189 0.186   1.000 7.101  0 10  ASN A CG  1 ? 
ATOM   64   O  OD1 . ASN A 1 10  ? 8.502   -32.491 -0.403  1.000 6.991  0 10  ASN A OD1 1 ? 
ATOM   65   N  ND2 . ASN A 1 10  ? 6.759   -31.093 -0.071  1.000 6.776  0 10  ASN A ND2 1 ? 
ATOM   66   N  N   . THR A 1 11  ? 6.758   -33.160 4.909   1.000 5.997  0 11  THR A N   1 ? 
ATOM   67   C  CA  . THR A 1 11  ? 6.243   -33.961 6.024   1.000 5.897  0 11  THR A CA  1 ? 
ATOM   68   C  C   . THR A 1 11  ? 4.952   -33.396 6.613   1.000 5.431  0 11  THR A C   1 ? 
ATOM   69   O  O   . THR A 1 11  ? 4.287   -34.048 7.446   1.000 5.493  0 11  THR A O   1 ? 
ATOM   70   C  CB  . THR A 1 11  ? 7.282   -34.083 7.133   1.000 6.143  0 11  THR A CB  1 ? 
ATOM   71   O  OG1 . THR A 1 11  ? 7.550   -32.801 7.698   1.000 6.784  0 11  THR A OG1 1 ? 
ATOM   72   C  CG2 . THR A 1 11  ? 8.519   -34.818 6.663   1.000 6.230  0 11  THR A CG2 1 ? 
ATOM   73   N  N   . VAL A 1 12  ? 4.583   -32.202 6.154   1.000 4.896  0 12  VAL A N   1 ? 
ATOM   74   C  CA  . VAL A 1 12  ? 3.373   -31.510 6.593   1.000 4.542  0 12  VAL A CA  1 ? 
ATOM   75   C  C   . VAL A 1 12  ? 2.571   -31.225 5.317   1.000 4.439  0 12  VAL A C   1 ? 
ATOM   76   O  O   . VAL A 1 12  ? 2.536   -30.112 4.787   1.000 4.086  0 12  VAL A O   1 ? 
ATOM   77   C  CB  . VAL A 1 12  ? 3.656   -30.225 7.413   1.000 4.646  0 12  VAL A CB  1 ? 
ATOM   78   C  CG1 . VAL A 1 12  ? 2.357   -29.646 7.963   1.000 5.092  0 12  VAL A CG1 1 ? 
ATOM   79   C  CG2 . VAL A 1 12  ? 4.660   -30.478 8.549   1.000 4.709  0 12  VAL A CG2 1 ? 
ATOM   80   N  N   . PRO A 1 13  ? 1.955   -32.258 4.699   1.000 4.571  0 13  PRO A N   1 ? 
ATOM   81   C  CA  . PRO A 1 13  ? 1.571   -32.169 3.288   1.000 4.495  0 13  PRO A CA  1 ? 
ATOM   82   C  C   . PRO A 1 13  ? 0.363   -31.263 3.004   1.000 4.254  0 13  PRO A C   1 ? 
ATOM   83   O  O   . PRO A 1 13  ? 0.124   -30.923 1.845   1.000 3.970  0 13  PRO A O   1 ? 
ATOM   84   C  CB  . PRO A 1 13  ? 1.311   -33.639 2.880   1.000 4.721  0 13  PRO A CB  1 ? 
ATOM   85   C  CG  . PRO A 1 13  ? 0.904   -34.277 4.155   1.000 4.891  0 13  PRO A CG  1 ? 
ATOM   86   C  CD  . PRO A 1 13  ? 1.803   -33.628 5.221   1.000 4.677  0 13  PRO A CD  1 ? 
ATOM   87   N  N   . TYR A 1 14  ? -0.392  -30.882 4.070   1.000 4.117  0 14  TYR A N   1 ? 
ATOM   88   C  CA  . TYR A 1 14  ? -1.499  -29.931 4.001   1.000 4.211  0 14  TYR A CA  1 ? 
ATOM   89   C  C   . TYR A 1 14  ? -1.066  -28.479 4.214   1.000 4.171  0 14  TYR A C   1 ? 
ATOM   90   O  O   . TYR A 1 14  ? -1.901  -27.585 4.038   1.000 3.633  0 14  TYR A O   1 ? 
ATOM   91   C  CB  . TYR A 1 14  ? -2.556  -30.272 5.059   1.000 4.228  0 14  TYR A CB  1 ? 
ATOM   92   C  CG  . TYR A 1 14  ? -1.931  -30.415 6.445   1.000 4.280  0 14  TYR A CG  1 ? 
ATOM   93   C  CD1 . TYR A 1 14  ? -1.743  -29.317 7.286   1.000 4.330  0 14  TYR A CD1 1 ? 
ATOM   94   C  CD2 . TYR A 1 14  ? -1.514  -31.654 6.924   1.000 4.584  0 14  TYR A CD2 1 ? 
ATOM   95   C  CE1 . TYR A 1 14  ? -1.116  -29.438 8.514   1.000 4.406  0 14  TYR A CE1 1 ? 
ATOM   96   C  CE2 . TYR A 1 14  ? -0.872  -31.780 8.150   1.000 4.508  0 14  TYR A CE2 1 ? 
ATOM   97   C  CZ  . TYR A 1 14  ? -0.702  -30.680 8.972   1.000 4.401  0 14  TYR A CZ  1 ? 
ATOM   98   O  OH  . TYR A 1 14  ? -0.081  -30.838 10.197  1.000 4.361  0 14  TYR A OH  1 ? 
ATOM   99   N  N   . GLN A 1 15  ? 0.201   -28.246 4.571   1.000 3.802  0 15  GLN A N   1 ? 
ATOM   100  C  CA  . GLN A 1 15  ? 0.716   -26.897 4.784   1.000 3.909  0 15  GLN A CA  1 ? 
ATOM   101  C  C   . GLN A 1 15  ? 0.858   -26.179 3.443   1.000 4.025  0 15  GLN A C   1 ? 
ATOM   102  O  O   . GLN A 1 15  ? 1.558   -26.650 2.512   1.000 3.890  0 15  GLN A O   1 ? 
ATOM   103  C  CB  . GLN A 1 15  ? 2.086   -26.892 5.455   1.000 3.843  0 15  GLN A CB  1 ? 
ATOM   104  C  CG  . GLN A 1 15  ? 2.717   -25.510 5.534   1.000 3.700  0 15  GLN A CG  1 ? 
ATOM   105  C  CD  . GLN A 1 15  ? 2.231   -24.662 6.694   1.000 3.597  0 15  GLN A CD  1 ? 
ATOM   106  O  OE1 . GLN A 1 15  ? 2.242   -25.102 7.852   1.000 3.730  0 15  GLN A OE1 1 ? 
ATOM   107  N  NE2 . GLN A 1 15  ? 1.884   -23.400 6.437   1.000 3.662  0 15  GLN A NE2 1 ? 
ATOM   108  N  N   . VAL A 1 16  ? 0.233   -25.003 3.319   1.000 4.291  0 16  VAL A N   1 ? 
ATOM   109  C  CA  . VAL A 1 16  ? 0.460   -24.190 2.128   1.000 4.373  0 16  VAL A CA  1 ? 
ATOM   110  C  C   . VAL A 1 16  ? 1.138   -22.870 2.503   1.000 3.856  0 16  VAL A C   1 ? 
ATOM   111  O  O   . VAL A 1 16  ? 1.038   -22.367 3.641   1.000 3.187  0 16  VAL A O   1 ? 
ATOM   112  C  CB  . VAL A 1 16  ? -0.804  -23.958 1.292   1.000 5.254  0 16  VAL A CB  1 ? 
ATOM   113  C  CG1 . VAL A 1 16  ? -1.536  -25.257 0.908   1.000 5.667  0 16  VAL A CG1 1 ? 
ATOM   114  C  CG2 . VAL A 1 16  ? -1.738  -22.991 1.952   1.000 5.442  0 16  VAL A CG2 1 ? 
ATOM   115  N  N   . SER A 1 17  ? 1.727   -22.242 1.466   1.000 3.626  0 17  SER A N   1 ? 
ATOM   116  C  CA  . SER A 1 17  ? 2.183   -20.855 1.545   1.000 3.691  0 17  SER A CA  1 ? 
ATOM   117  C  C   . SER A 1 17  ? 1.298   -20.009 0.650   1.000 3.621  0 17  SER A C   1 ? 
ATOM   118  O  O   . SER A 1 17  ? 1.078   -20.402 -0.490  1.000 3.793  0 17  SER A O   1 ? 
ATOM   119  C  CB  . SER A 1 17  ? 3.646   -20.772 1.145   1.000 3.615  0 17  SER A CB  1 ? 
ATOM   120  O  OG  . SER A 1 17  ? 4.105   -19.441 0.908   1.000 3.450  0 17  SER A OG  1 ? 
ATOM   121  N  N   . LEU A 1 18  ? 0.783   -18.902 1.184   1.000 3.722  0 18  LEU A N   1 ? 
ATOM   122  C  CA  . LEU A 1 18  ? 0.120   -17.904 0.395   1.000 4.012  0 18  LEU A CA  1 ? 
ATOM   123  C  C   . LEU A 1 18  ? 1.179   -16.892 -0.063  1.000 4.184  0 18  LEU A C   1 ? 
ATOM   124  O  O   . LEU A 1 18  ? 1.926   -16.357 0.756   1.000 3.865  0 18  LEU A O   1 ? 
ATOM   125  C  CB  . LEU A 1 18  ? -0.997  -17.267 1.225   1.000 4.175  0 18  LEU A CB  1 ? 
ATOM   126  C  CG  . LEU A 1 18  ? -2.008  -18.205 1.892   1.000 4.473  0 18  LEU A CG  1 ? 
ATOM   127  C  CD1 . LEU A 1 18  ? -3.005  -17.326 2.631   1.000 4.582  0 18  LEU A CD1 1 ? 
ATOM   128  C  CD2 . LEU A 1 18  ? -2.690  -19.074 0.891   1.000 4.393  0 18  LEU A CD2 1 ? 
ATOM   129  N  N   . ASN A 1 19  ? 1.214   -16.661 -1.388  1.000 4.536  0 19  ASN A N   1 ? 
ATOM   130  C  CA  . ASN A 1 19  ? 2.208   -15.859 -2.079  1.000 4.743  0 19  ASN A CA  1 ? 
ATOM   131  C  C   . ASN A 1 19  ? 1.522   -14.748 -2.886  1.000 4.870  0 19  ASN A C   1 ? 
ATOM   132  O  O   . ASN A 1 19  ? 0.646   -15.034 -3.711  1.000 4.853  0 19  ASN A O   1 ? 
ATOM   133  C  CB  . ASN A 1 19  ? 2.977   -16.745 -3.046  1.000 4.891  0 19  ASN A CB  1 ? 
ATOM   134  C  CG  . ASN A 1 19  ? 4.203   -16.085 -3.637  1.000 4.860  0 19  ASN A CG  1 ? 
ATOM   135  O  OD1 . ASN A 1 19  ? 4.051   -15.300 -4.574  1.000 5.648  0 19  ASN A OD1 1 ? 
ATOM   136  N  ND2 . ASN A 1 19  ? 5.404   -16.373 -3.110  1.000 5.128  0 19  ASN A ND2 1 ? 
ATOM   137  N  N   . SER A 1 20  ? 1.972   -13.498 -2.683  1.000 5.564  0 20  SER A N   1 ? 
ATOM   138  C  CA  . SER A 1 20  ? 1.519   -12.357 -3.474  1.000 6.151  0 20  SER A CA  1 ? 
ATOM   139  C  C   . SER A 1 20  ? 2.752   -11.680 -4.075  1.000 6.808  0 20  SER A C   1 ? 
ATOM   140  O  O   . SER A 1 20  ? 2.935   -10.474 -3.916  1.000 8.197  0 20  SER A O   1 ? 
ATOM   141  C  CB  . SER A 1 20  ? 0.757   -11.383 -2.617  1.000 6.523  0 20  SER A CB  1 ? 
ATOM   142  O  OG  . SER A 1 20  ? 1.556   -10.900 -1.538  1.000 7.912  0 20  SER A OG  1 ? 
ATOM   143  N  N   . GLY A 1 21  ? 3.687   -12.505 -4.581  1.000 6.363  0 21  GLY A N   1 ? 
ATOM   144  C  CA  . GLY A 1 21  ? 5.028   -12.024 -4.909  1.000 6.088  0 21  GLY A CA  1 ? 
ATOM   145  C  C   . GLY A 1 21  ? 6.098   -12.454 -3.912  1.000 6.009  0 21  GLY A C   1 ? 
ATOM   146  O  O   . GLY A 1 21  ? 7.287   -12.326 -4.172  1.000 5.864  0 21  GLY A O   1 ? 
ATOM   147  N  N   . TYR A 1 22  ? 5.652   -12.926 -2.749  1.000 6.163  0 22  TYR A N   1 ? 
ATOM   148  C  CA  . TYR A 1 22  ? 6.480   -13.280 -1.611  1.000 6.029  0 22  TYR A CA  1 ? 
ATOM   149  C  C   . TYR A 1 22  ? 5.542   -14.050 -0.682  1.000 5.264  0 22  TYR A C   1 ? 
ATOM   150  O  O   . TYR A 1 22  ? 4.321   -13.873 -0.796  1.000 5.292  0 22  TYR A O   1 ? 
ATOM   151  C  CB  . TYR A 1 22  ? 7.071   -12.061 -0.889  1.000 7.022  0 22  TYR A CB  1 ? 
ATOM   152  C  CG  . TYR A 1 22  ? 5.988   -11.022 -0.705  1.000 8.430  0 22  TYR A CG  1 ? 
ATOM   153  C  CD1 . TYR A 1 22  ? 5.771   -10.070 -1.692  1.000 10.267 0 22  TYR A CD1 1 ? 
ATOM   154  C  CD2 . TYR A 1 22  ? 5.127   -11.056 0.388   1.000 9.866  0 22  TYR A CD2 1 ? 
ATOM   155  C  CE1 . TYR A 1 22  ? 4.753   -9.150  -1.583  1.000 10.545 0 22  TYR A CE1 1 ? 
ATOM   156  C  CE2 . TYR A 1 22  ? 4.116   -10.117 0.511   1.000 10.342 0 22  TYR A CE2 1 ? 
ATOM   157  C  CZ  . TYR A 1 22  ? 3.895   -9.194  -0.502  1.000 11.628 0 22  TYR A CZ  1 ? 
ATOM   158  O  OH  . TYR A 1 22  ? 2.875   -8.255  -0.488  1.000 15.511 0 22  TYR A OH  1 ? 
ATOM   159  N  N   . HIS A 1 23  ? 6.103   -14.955 0.135   1.000 4.806  0 23  HIS A N   1 ? 
ATOM   160  C  CA  . HIS A 1 23  ? 5.325   -15.621 1.184   1.000 4.700  0 23  HIS A CA  1 ? 
ATOM   161  C  C   . HIS A 1 23  ? 4.814   -14.568 2.156   1.000 4.788  0 23  HIS A C   1 ? 
ATOM   162  O  O   . HIS A 1 23  ? 5.600   -13.778 2.642   1.000 5.238  0 23  HIS A O   1 ? 
ATOM   163  C  CB  . HIS A 1 23  ? 6.184   -16.636 1.947   1.000 4.461  0 23  HIS A CB  1 ? 
ATOM   164  C  CG  . HIS A 1 23  ? 5.538   -17.122 3.194   1.000 4.162  0 23  HIS A CG  1 ? 
ATOM   165  N  ND1 . HIS A 1 23  ? 4.623   -18.149 3.233   1.000 4.020  0 23  HIS A ND1 1 ? 
ATOM   166  C  CD2 . HIS A 1 23  ? 5.636   -16.660 4.452   1.000 4.015  0 23  HIS A CD2 1 ? 
ATOM   167  C  CE1 . HIS A 1 23  ? 4.221   -18.309 4.495   1.000 3.826  0 23  HIS A CE1 1 ? 
ATOM   168  N  NE2 . HIS A 1 23  ? 4.806   -17.402 5.259   1.000 4.066  0 23  HIS A NE2 1 ? 
ATOM   169  N  N   . PHE A 1 24  ? 3.514   -14.571 2.503   1.000 4.479  0 24  PHE A N   1 ? 
ATOM   170  C  CA  . PHE A 1 24  ? 3.034   -13.666 3.530   1.000 4.494  0 24  PHE A CA  1 ? 
ATOM   171  C  C   . PHE A 1 24  ? 2.135   -14.352 4.563   1.000 4.519  0 24  PHE A C   1 ? 
ATOM   172  O  O   . PHE A 1 24  ? 1.852   -13.720 5.561   1.000 4.938  0 24  PHE A O   1 ? 
ATOM   173  C  CB  . PHE A 1 24  ? 2.280   -12.509 2.886   1.000 4.738  0 24  PHE A CB  1 ? 
ATOM   174  C  CG  . PHE A 1 24  ? 0.993   -12.920 2.229   1.000 4.839  0 24  PHE A CG  1 ? 
ATOM   175  C  CD1 . PHE A 1 24  ? -0.194  -12.925 2.979   1.000 5.199  0 24  PHE A CD1 1 ? 
ATOM   176  C  CD2 . PHE A 1 24  ? 0.952   -13.310 0.893   1.000 4.944  0 24  PHE A CD2 1 ? 
ATOM   177  C  CE1 . PHE A 1 24  ? -1.380  -13.305 2.368   1.000 5.360  0 24  PHE A CE1 1 ? 
ATOM   178  C  CE2 . PHE A 1 24  ? -0.232  -13.691 0.310   1.000 5.242  0 24  PHE A CE2 1 ? 
ATOM   179  C  CZ  . PHE A 1 24  ? -1.388  -13.670 1.059   1.000 5.240  0 24  PHE A CZ  1 ? 
ATOM   180  N  N   . CYS A 1 25  ? 1.715   -15.591 4.371   1.000 4.092  0 25  CYS A N   1 ? 
ATOM   181  C  CA  . CYS A 1 25  ? 0.887   -16.257 5.360   1.000 3.749  0 25  CYS A CA  1 ? 
ATOM   182  C  C   . CYS A 1 25  ? 0.872   -17.735 5.023   1.000 3.316  0 25  CYS A C   1 ? 
ATOM   183  O  O   . CYS A 1 25  ? 1.187   -18.137 3.906   1.000 3.515  0 25  CYS A O   1 ? 
ATOM   184  C  CB  . CYS A 1 25  ? -0.554  -15.749 5.381   1.000 3.686  0 25  CYS A CB  1 ? 
ATOM   185  S  SG  . CYS A 1 25  ? -0.871  -14.289 6.438   1.000 3.560  0 25  CYS A SG  1 ? 
ATOM   186  N  N   . GLY A 1 26  ? 0.503   -18.524 6.027   1.000 3.137  0 26  GLY A N   1 ? 
ATOM   187  C  CA  . GLY A 1 26  ? 0.262   -19.951 5.860   1.000 3.123  0 26  GLY A CA  1 ? 
ATOM   188  C  C   . GLY A 1 26  ? -1.211  -20.203 5.584   1.000 3.013  0 26  GLY A C   1 ? 
ATOM   189  O  O   . GLY A 1 26  ? -2.038  -19.297 5.620   1.000 2.758  0 26  GLY A O   1 ? 
ATOM   190  N  N   . GLY A 1 27  ? -1.500  -21.490 5.320   1.000 2.892  0 27  GLY A N   1 ? 
ATOM   191  C  CA  . GLY A 1 27  ? -2.870  -21.948 5.158   1.000 2.932  0 27  GLY A CA  1 ? 
ATOM   192  C  C   . GLY A 1 27  ? -2.839  -23.462 5.240   1.000 3.099  0 27  GLY A C   1 ? 
ATOM   193  O  O   . GLY A 1 27  ? -1.725  -24.032 5.308   1.000 3.006  0 27  GLY A O   1 ? 
ATOM   194  N  N   . SER A 1 28  ? -4.014  -24.059 5.257   1.000 3.517  0 28  SER A N   1 ? 
ATOM   195  C  CA  . SER A 1 28  ? -4.154  -25.513 5.314   1.000 4.016  0 28  SER A CA  1 ? 
ATOM   196  C  C   . SER A 1 28  ? -5.067  -25.980 4.180   1.000 4.331  0 28  SER A C   1 ? 
ATOM   197  O  O   . SER A 1 28  ? -6.183  -25.477 4.025   1.000 4.198  0 28  SER A O   1 ? 
ATOM   198  C  CB  . SER A 1 28  ? -4.658  -25.965 6.649   1.000 4.200  0 28  SER A CB  1 ? 
ATOM   199  O  OG  . SER A 1 28  ? -3.969  -25.386 7.731   1.000 4.301  0 28  SER A OG  1 ? 
ATOM   200  N  N   . LEU A 1 29  ? -4.623  -27.004 3.461   1.000 4.165  0 29  LEU A N   1 ? 
ATOM   201  C  CA  . LEU A 1 29  ? -5.424  -27.570 2.381   1.000 4.872  0 29  LEU A CA  1 ? 
ATOM   202  C  C   . LEU A 1 29  ? -6.478  -28.492 2.995   1.000 5.334  0 29  LEU A C   1 ? 
ATOM   203  O  O   . LEU A 1 29  ? -6.108  -29.413 3.718   1.000 5.452  0 29  LEU A O   1 ? 
ATOM   204  C  CB  . LEU A 1 29  ? -4.546  -28.353 1.421   1.000 5.086  0 29  LEU A CB  1 ? 
ATOM   205  C  CG  . LEU A 1 29  ? -5.204  -28.830 0.130   1.000 5.579  0 29  LEU A CG  1 ? 
ATOM   206  C  CD1 . LEU A 1 29  ? -5.617  -27.708 -0.799  1.000 5.416  0 29  LEU A CD1 1 ? 
ATOM   207  C  CD2 . LEU A 1 29  ? -4.253  -29.758 -0.622  1.000 5.859  0 29  LEU A CD2 1 ? 
ATOM   208  N  N   . ILE A 1 30  ? -7.764  -28.246 2.728   1.000 6.351  0 30  ILE A N   1 ? 
ATOM   209  C  CA  . ILE A 1 30  ? -8.789  -29.066 3.373   1.000 7.005  0 30  ILE A CA  1 ? 
ATOM   210  C  C   . ILE A 1 30  ? -9.570  -29.909 2.365   1.000 8.000  0 30  ILE A C   1 ? 
ATOM   211  O  O   . ILE A 1 30  ? -10.361 -30.760 2.775   1.000 8.735  0 30  ILE A O   1 ? 
ATOM   212  C  CB  . ILE A 1 30  ? -9.722  -28.235 4.251   1.000 7.753  0 30  ILE A CB  1 ? 
ATOM   213  C  CG1 . ILE A 1 30  ? -10.352 -27.112 3.476   1.000 7.809  0 30  ILE A CG1 1 ? 
ATOM   214  C  CG2 . ILE A 1 30  ? -8.995  -27.750 5.501   1.000 7.465  0 30  ILE A CG2 1 ? 
ATOM   215  C  CD1 . ILE A 1 30  ? -11.593 -26.560 4.160   1.000 7.735  0 30  ILE A CD1 1 ? 
ATOM   216  N  N   . ASN A 1 31  ? -9.374  -29.662 1.073   1.000 8.997  0 31  ASN A N   1 ? 
ATOM   217  C  CA  . ASN A 1 31  ? -9.758  -30.603 0.027   1.000 10.183 0 31  ASN A CA  1 ? 
ATOM   218  C  C   . ASN A 1 31  ? -9.059  -30.161 -1.240  1.000 9.792  0 31  ASN A C   1 ? 
ATOM   219  O  O   . ASN A 1 31  ? -8.316  -29.179 -1.202  1.000 10.097 0 31  ASN A O   1 ? 
ATOM   220  C  CB  . ASN A 1 31  ? -11.267 -30.713 -0.145  1.000 12.086 0 31  ASN A CB  1 ? 
ATOM   221  C  CG  . ASN A 1 31  ? -11.930 -29.464 -0.678  1.000 14.285 0 31  ASN A CG  1 ? 
ATOM   222  O  OD1 . ASN A 1 31  ? -11.314 -28.649 -1.361  1.000 14.576 0 31  ASN A OD1 1 ? 
ATOM   223  N  ND2 . ASN A 1 31  ? -13.235 -29.389 -0.463  1.000 19.778 0 31  ASN A ND2 1 ? 
ATOM   224  N  N   . SER A 1 32  ? -9.275  -30.868 -2.353  1.000 8.916  0 32  SER A N   1 ? 
ATOM   225  C  CA  . SER A 1 32  ? -8.501  -30.594 -3.542  1.000 9.018  0 32  SER A CA  1 ? 
ATOM   226  C  C   . SER A 1 32  ? -8.619  -29.149 -4.017  1.000 8.980  0 32  SER A C   1 ? 
ATOM   227  O  O   . SER A 1 32  ? -7.794  -28.686 -4.785  1.000 8.256  0 32  SER A O   1 ? 
ATOM   228  C  CB  . SER A 1 32  ? -8.894  -31.511 -4.688  1.000 8.606  0 32  SER A CB  1 ? 
ATOM   229  O  OG  . SER A 1 32  ? -10.240 -31.293 -5.079  1.000 8.719  0 32  SER A OG  1 ? 
ATOM   230  N  N   . GLN A 1 33  ? -9.685  -28.431 -3.667  1.000 9.303  0 33  GLN A N   1 ? 
ATOM   231  C  CA  . GLN A 1 33  ? -9.873  -27.095 -4.218  1.000 9.005  0 33  GLN A CA  1 ? 
ATOM   232  C  C   . GLN A 1 33  ? -10.003 -25.973 -3.185  1.000 7.502  0 33  GLN A C   1 ? 
ATOM   233  O  O   . GLN A 1 33  ? -10.312 -24.845 -3.584  1.000 7.237  0 33  GLN A O   1 ? 
ATOM   234  C  CB  . GLN A 1 33  ? -11.188 -27.032 -4.995  1.000 11.342 0 33  GLN A CB  1 ? 
ATOM   235  C  CG  . GLN A 1 33  ? -11.378 -28.156 -5.990  1.000 14.831 0 33  GLN A CG  1 ? 
ATOM   236  C  CD  . GLN A 1 33  ? -12.626 -27.891 -6.795  1.000 16.580 0 33  GLN A CD  1 ? 
ATOM   237  O  OE1 . GLN A 1 33  ? -13.742 -28.340 -6.474  1.000 24.546 0 33  GLN A OE1 1 ? 
ATOM   238  N  NE2 . GLN A 1 33  ? -12.421 -27.074 -7.796  1.000 16.426 0 33  GLN A NE2 1 ? 
ATOM   239  N  N   . TRP A 1 34  ? -9.858  -26.265 -1.887  1.000 5.921  0 34  TRP A N   1 ? 
ATOM   240  C  CA  . TRP A 1 34  ? -10.045 -25.253 -0.858  1.000 5.817  0 34  TRP A CA  1 ? 
ATOM   241  C  C   . TRP A 1 34  ? -8.966  -25.255 0.211   1.000 5.664  0 34  TRP A C   1 ? 
ATOM   242  O  O   . TRP A 1 34  ? -8.565  -26.288 0.723   1.000 5.294  0 34  TRP A O   1 ? 
ATOM   243  C  CB  . TRP A 1 34  ? -11.379 -25.487 -0.152  1.000 5.708  0 34  TRP A CB  1 ? 
ATOM   244  C  CG  . TRP A 1 34  ? -12.599 -25.200 -0.990  1.000 6.444  0 34  TRP A CG  1 ? 
ATOM   245  C  CD1 . TRP A 1 34  ? -13.254 -26.068 -1.809  1.000 6.309  0 34  TRP A CD1 1 ? 
ATOM   246  C  CD2 . TRP A 1 34  ? -13.287 -23.944 -1.090  1.000 6.639  0 34  TRP A CD2 1 ? 
ATOM   247  N  NE1 . TRP A 1 34  ? -14.325 -25.451 -2.406  1.000 7.054  0 34  TRP A NE1 1 ? 
ATOM   248  C  CE2 . TRP A 1 34  ? -14.373 -24.147 -1.972  1.000 6.772  0 34  TRP A CE2 1 ? 
ATOM   249  C  CE3 . TRP A 1 34  ? -13.104 -22.694 -0.492  1.000 6.988  0 34  TRP A CE3 1 ? 
ATOM   250  C  CZ2 . TRP A 1 34  ? -15.252 -23.117 -2.287  1.000 7.129  0 34  TRP A CZ2 1 ? 
ATOM   251  C  CZ3 . TRP A 1 34  ? -13.963 -21.676 -0.821  1.000 7.110  0 34  TRP A CZ3 1 ? 
ATOM   252  C  CH2 . TRP A 1 34  ? -15.042 -21.887 -1.684  1.000 7.156  0 34  TRP A CH2 1 ? 
ATOM   253  N  N   . VAL A 1 35  ? -8.614  -24.035 0.621   1.000 5.345  0 35  VAL A N   1 ? 
ATOM   254  C  CA  . VAL A 1 35  ? -7.642  -23.753 1.663   1.000 5.379  0 35  VAL A CA  1 ? 
ATOM   255  C  C   . VAL A 1 35  ? -8.312  -22.954 2.776   1.000 5.807  0 35  VAL A C   1 ? 
ATOM   256  O  O   . VAL A 1 35  ? -9.114  -22.066 2.483   1.000 5.109  0 35  VAL A O   1 ? 
ATOM   257  C  CB  . VAL A 1 35  ? -6.478  -22.960 1.055   1.000 5.045  0 35  VAL A CB  1 ? 
ATOM   258  C  CG1 . VAL A 1 35  ? -5.633  -22.293 2.145   1.000 4.703  0 35  VAL A CG1 1 ? 
ATOM   259  C  CG2 . VAL A 1 35  ? -5.610  -23.874 0.215   1.000 5.157  0 35  VAL A CG2 1 ? 
ATOM   260  N  N   . VAL A 1 36  ? -7.958  -23.269 4.030   1.000 5.723  0 36  VAL A N   1 ? 
ATOM   261  C  CA  . VAL A 1 36  ? -8.365  -22.495 5.190   1.000 6.559  0 36  VAL A CA  1 ? 
ATOM   262  C  C   . VAL A 1 36  ? -7.198  -21.647 5.660   1.000 5.504  0 36  VAL A C   1 ? 
ATOM   263  O  O   . VAL A 1 36  ? -6.091  -22.155 5.831   1.000 5.803  0 36  VAL A O   1 ? 
ATOM   264  C  CB  . VAL A 1 36  ? -8.844  -23.393 6.340   1.000 8.043  0 36  VAL A CB  1 ? 
ATOM   265  C  CG1 . VAL A 1 36  ? -8.894  -22.679 7.691   1.000 9.149  0 36  VAL A CG1 1 ? 
ATOM   266  C  CG2 . VAL A 1 36  ? -10.153 -24.034 5.981   1.000 9.061  0 36  VAL A CG2 1 ? 
ATOM   267  N  N   . SER A 1 37  ? -7.479  -20.355 5.901   1.000 4.269  0 37  SER A N   1 ? 
ATOM   268  C  CA  . SER A 1 37  ? -6.420  -19.510 6.431   1.000 3.664  0 37  SER A CA  1 ? 
ATOM   269  C  C   . SER A 1 37  ? -7.017  -18.554 7.456   1.000 3.289  0 37  SER A C   1 ? 
ATOM   270  O  O   . SER A 1 37  ? -8.159  -18.719 7.875   1.000 2.860  0 37  SER A O   1 ? 
ATOM   271  C  CB  . SER A 1 37  ? -5.646  -18.818 5.325   1.000 3.723  0 37  SER A CB  1 ? 
ATOM   272  O  OG  . SER A 1 37  ? -4.519  -18.071 5.793   1.000 3.842  0 37  SER A OG  1 ? 
ATOM   273  N  N   . ALA A 1 38  ? -6.250  -17.540 7.837   1.000 2.921  0 38  ALA A N   1 ? 
ATOM   274  C  CA  . ALA A 1 38  ? -6.743  -16.497 8.752   1.000 2.938  0 38  ALA A CA  1 ? 
ATOM   275  C  C   . ALA A 1 38  ? -7.337  -15.332 7.966   1.000 2.959  0 38  ALA A C   1 ? 
ATOM   276  O  O   . ALA A 1 38  ? -6.811  -14.952 6.946   1.000 3.019  0 38  ALA A O   1 ? 
ATOM   277  C  CB  . ALA A 1 38  ? -5.639  -15.956 9.655   1.000 2.988  0 38  ALA A CB  1 ? 
ATOM   278  N  N   . ALA A 1 39  ? -8.466  -14.759 8.402   1.000 2.866  0 39  ALA A N   1 ? 
ATOM   279  C  CA  . ALA A 1 39  ? -9.016  -13.621 7.688   1.000 2.974  0 39  ALA A CA  1 ? 
ATOM   280  C  C   . ALA A 1 39  ? -8.071  -12.424 7.687   1.000 3.047  0 39  ALA A C   1 ? 
ATOM   281  O  O   . ALA A 1 39  ? -8.090  -11.636 6.754   1.000 2.796  0 39  ALA A O   1 ? 
ATOM   282  C  CB  . ALA A 1 39  ? -10.356 -13.204 8.276   1.000 2.857  0 39  ALA A CB  1 ? 
ATOM   283  N  N   . HIS A 1 40  ? -7.237  -12.267 8.720   1.000 3.619  0 40  HIS A N   1 ? 
ATOM   284  C  CA  . HIS A 1 40  ? -6.276  -11.177 8.743   1.000 4.010  0 40  HIS A CA  1 ? 
ATOM   285  C  C   . HIS A 1 40  ? -5.159  -11.311 7.696   1.000 4.310  0 40  HIS A C   1 ? 
ATOM   286  O  O   . HIS A 1 40  ? -4.495  -10.311 7.415   1.000 4.213  0 40  HIS A O   1 ? 
ATOM   287  C  CB  . HIS A 1 40  ? -5.780  -10.971 10.170  1.000 4.536  0 40  HIS A CB  1 ? 
ATOM   288  C  CG  . HIS A 1 40  ? -4.535  -11.703 10.546  1.000 4.664  0 40  HIS A CG  1 ? 
ATOM   289  N  ND1 . HIS A 1 40  ? -4.647  -12.765 11.420  1.000 4.768  0 40  HIS A ND1 1 ? 
ATOM   290  C  CD2 . HIS A 1 40  ? -3.211  -11.517 10.334  1.000 4.889  0 40  HIS A CD2 1 ? 
ATOM   291  C  CE1 . HIS A 1 40  ? -3.432  -13.197 11.714  1.000 5.102  0 40  HIS A CE1 1 ? 
ATOM   292  N  NE2 . HIS A 1 40  ? -2.536  -12.466 11.035  1.000 4.979  0 40  HIS A NE2 1 ? 
ATOM   293  N  N   . CYS A 1 41  ? -5.060  -12.489 7.048   1.000 4.693  0 41  CYS A N   1 ? 
ATOM   294  C  CA  . CYS A 1 41  ? -4.257  -12.730 5.871   1.000 5.374  0 41  CYS A CA  1 ? 
ATOM   295  C  C   . CYS A 1 41  ? -4.929  -12.314 4.560   1.000 6.104  0 41  CYS A C   1 ? 
ATOM   296  O  O   . CYS A 1 41  ? -4.277  -12.403 3.521   1.000 8.332  0 41  CYS A O   1 ? 
ATOM   297  C  CB  . CYS A 1 41  ? -3.852  -14.201 5.796   1.000 5.234  0 41  CYS A CB  1 ? 
ATOM   298  S  SG  . CYS A 1 41  ? -2.772  -14.733 7.149   1.000 5.316  0 41  CYS A SG  1 ? 
ATOM   299  N  N   . TYR A 1 42  ? -6.169  -11.813 4.568   1.000 6.261  0 42  TYR A N   1 ? 
ATOM   300  C  CA  . TYR A 1 42  ? -6.847  -11.467 3.333   1.000 7.067  0 42  TYR A CA  1 ? 
ATOM   301  C  C   . TYR A 1 42  ? -6.012  -10.483 2.517   1.000 7.403  0 42  TYR A C   1 ? 
ATOM   302  O  O   . TYR A 1 42  ? -5.598  -9.450  3.043   1.000 7.531  0 42  TYR A O   1 ? 
ATOM   303  C  CB  . TYR A 1 42  ? -8.243  -10.885 3.622   1.000 7.609  0 42  TYR A CB  1 ? 
ATOM   304  C  CG  . TYR A 1 42  ? -8.704  -10.176 2.363   1.000 8.302  0 42  TYR A CG  1 ? 
ATOM   305  C  CD1 . TYR A 1 42  ? -9.209  -10.884 1.281   1.000 8.100  0 42  TYR A CD1 1 ? 
ATOM   306  C  CD2 . TYR A 1 42  ? -8.552  -8.811  2.240   1.000 8.883  0 42  TYR A CD2 1 ? 
ATOM   307  C  CE1 . TYR A 1 42  ? -9.530  -10.232 0.105   1.000 8.729  0 42  TYR A CE1 1 ? 
ATOM   308  C  CE2 . TYR A 1 42  ? -8.895  -8.144  1.081   1.000 9.386  0 42  TYR A CE2 1 ? 
ATOM   309  C  CZ  . TYR A 1 42  ? -9.389  -8.860  0.004   1.000 9.769  0 42  TYR A CZ  1 ? 
ATOM   310  O  OH  . TYR A 1 42  ? -9.680  -8.185  -1.162  1.000 12.386 0 42  TYR A OH  1 ? 
ATOM   311  N  N   . LYS A 1 43  ? -5.873  -10.775 1.220   1.000 8.032  0 43  LYS A N   1 ? 
ATOM   312  C  CA  . LYS A 1 43  ? -5.536  -9.751  0.239   1.000 9.625  0 43  LYS A CA  1 ? 
ATOM   313  C  C   . LYS A 1 43  ? -5.965  -10.249 -1.133  1.000 10.194 0 43  LYS A C   1 ? 
ATOM   314  O  O   . LYS A 1 43  ? -6.288  -11.410 -1.302  1.000 7.979  0 43  LYS A O   1 ? 
ATOM   315  C  CB  . LYS A 1 43  ? -4.060  -9.356  0.310   1.000 12.342 0 43  LYS A CB  1 ? 
ATOM   316  C  CG  . LYS A 1 43  ? -3.156  -10.477 0.006   1.000 12.356 0 43  LYS A CG  1 ? 
ATOM   317  C  CD  . LYS A 1 43  ? -1.711  -10.037 -0.241  1.000 13.269 0 43  LYS A CD  1 ? 
ATOM   318  C  CE  . LYS A 1 43  ? -0.959  -9.736  0.974   1.000 13.113 0 43  LYS A CE  1 ? 
ATOM   319  N  NZ  . LYS A 1 43  ? 0.366   -9.216  0.587   1.000 14.318 0 43  LYS A NZ  1 ? 
ATOM   320  N  N   . SER A 1 44  ? -5.958  -9.364  -2.135  1.000 11.492 0 44  SER A N   1 ? 
ATOM   321  C  CA  . SER A 1 44  ? -6.209  -9.842  -3.482  1.000 13.350 0 44  SER A CA  1 ? 
ATOM   322  C  C   . SER A 1 44  ? -4.889  -10.336 -4.086  1.000 12.758 0 44  SER A C   1 ? 
ATOM   323  O  O   . SER A 1 44  ? -3.820  -10.144 -3.512  1.000 14.540 0 44  SER A O   1 ? 
ATOM   324  C  CB  . SER A 1 44  ? -6.854  -8.762  -4.311  1.000 14.849 0 44  SER A CB  1 ? 
ATOM   325  O  OG  . SER A 1 44  ? -5.951  -7.683  -4.353  1.000 16.716 0 44  SER A OG  1 ? 
ATOM   326  N  N   . GLY A 1 45  ? -4.967  -11.020 -5.221  1.000 14.559 0 45  GLY A N   1 ? 
ATOM   327  C  CA  . GLY A 1 45  ? -3.768  -11.443 -5.924  1.000 12.932 0 45  GLY A CA  1 ? 
ATOM   328  C  C   . GLY A 1 45  ? -3.018  -12.585 -5.233  1.000 12.557 0 45  GLY A C   1 ? 
ATOM   329  O  O   . GLY A 1 45  ? -1.780  -12.640 -5.303  1.000 14.009 0 45  GLY A O   1 ? 
ATOM   330  N  N   . ILE A 1 46  ? -3.759  -13.510 -4.607  1.000 10.250 0 46  ILE A N   1 ? 
ATOM   331  C  CA  . ILE A 1 46  ? -3.117  -14.607 -3.894  1.000 8.726  0 46  ILE A CA  1 ? 
ATOM   332  C  C   . ILE A 1 46  ? -2.828  -15.729 -4.876  1.000 8.097  0 46  ILE A C   1 ? 
ATOM   333  O  O   . ILE A 1 46  ? -3.725  -16.149 -5.601  1.000 6.760  0 46  ILE A O   1 ? 
ATOM   334  C  CB  . ILE A 1 46  ? -3.990  -15.100 -2.723  1.000 8.799  0 46  ILE A CB  1 ? 
ATOM   335  C  CG1 . ILE A 1 46  ? -4.161  -14.032 -1.668  1.000 9.671  0 46  ILE A CG1 1 ? 
ATOM   336  C  CG2 . ILE A 1 46  ? -3.452  -16.387 -2.092  1.000 8.738  0 46  ILE A CG2 1 ? 
ATOM   337  C  CD1 . ILE A 1 46  ? -5.186  -14.417 -0.612  1.000 9.940  0 46  ILE A CD1 1 ? 
ATOM   338  N  N   . GLN A 1 47  ? -1.617  -16.300 -4.783  1.000 6.951  0 47  GLN A N   1 ? 
ATOM   339  C  CA  . GLN A 1 47  ? -1.332  -17.598 -5.381  1.000 6.738  0 47  GLN A CA  1 ? 
ATOM   340  C  C   . GLN A 1 47  ? -1.078  -18.571 -4.247  1.000 6.505  0 47  GLN A C   1 ? 
ATOM   341  O  O   . GLN A 1 47  ? -0.297  -18.237 -3.363  1.000 6.842  0 47  GLN A O   1 ? 
ATOM   342  C  CB  . GLN A 1 47  ? -0.054  -17.538 -6.224  1.000 6.920  0 47  GLN A CB  1 ? 
ATOM   343  C  CG  . GLN A 1 47  ? 0.242   -18.789 -7.045  1.000 6.976  0 47  GLN A CG  1 ? 
ATOM   344  C  CD  . GLN A 1 47  ? 1.540   -18.686 -7.823  1.000 7.266  0 47  GLN A CD  1 ? 
ATOM   345  O  OE1 . GLN A 1 47  ? 2.620   -18.569 -7.242  1.000 6.549  0 47  GLN A OE1 1 ? 
ATOM   346  N  NE2 . GLN A 1 47  ? 1.473   -18.762 -9.139  1.000 7.643  0 47  GLN A NE2 1 ? 
ATOM   347  N  N   . VAL A 1 48  ? -1.669  -19.754 -4.317  1.000 5.949  0 48  VAL A N   1 ? 
ATOM   348  C  CA  . VAL A 1 48  ? -1.499  -20.759 -3.293  1.000 5.927  0 48  VAL A CA  1 ? 
ATOM   349  C  C   . VAL A 1 48  ? -0.364  -21.658 -3.741  1.000 5.437  0 48  VAL A C   1 ? 
ATOM   350  O  O   . VAL A 1 48  ? -0.371  -22.100 -4.880  1.000 4.872  0 48  VAL A O   1 ? 
ATOM   351  C  CB  . VAL A 1 48  ? -2.814  -21.559 -3.161  1.000 6.544  0 48  VAL A CB  1 ? 
ATOM   352  C  CG1 . VAL A 1 48  ? -2.657  -22.773 -2.260  1.000 7.680  0 48  VAL A CG1 1 ? 
ATOM   353  C  CG2 . VAL A 1 48  ? -3.911  -20.665 -2.587  1.000 6.609  0 48  VAL A CG2 1 ? 
ATOM   354  N  N   . ARG A 1 49  ? 0.600   -21.875 -2.856  1.000 4.924  0 49  ARG A N   1 ? 
ATOM   355  C  CA  . ARG A 1 49  ? 1.749   -22.719 -3.146  1.000 5.043  0 49  ARG A CA  1 ? 
ATOM   356  C  C   . ARG A 1 49  ? 1.740   -23.952 -2.246  1.000 5.106  0 49  ARG A C   1 ? 
ATOM   357  O  O   . ARG A 1 49  ? 1.843   -23.846 -1.026  1.000 5.098  0 49  ARG A O   1 ? 
ATOM   358  C  CB  . ARG A 1 49  ? 3.015   -21.886 -2.991  1.000 5.242  0 49  ARG A CB  1 ? 
ATOM   359  C  CG  . ARG A 1 49  ? 3.081   -20.829 -4.077  1.000 5.352  0 49  ARG A CG  1 ? 
ATOM   360  C  CD  . ARG A 1 49  ? 4.407   -20.099 -4.087  1.000 5.836  0 49  ARG A CD  1 ? 
ATOM   361  N  NE  . ARG A 1 49  ? 4.458   -19.195 -5.246  1.000 6.010  0 49  ARG A NE  1 ? 
ATOM   362  C  CZ  . ARG A 1 49  ? 5.564   -18.919 -5.882  1.000 6.859  0 49  ARG A CZ  1 ? 
ATOM   363  N  NH1 . ARG A 1 49  ? 6.752   -19.085 -5.245  1.000 7.068  0 49  ARG A NH1 1 ? 
ATOM   364  N  NH2 . ARG A 1 49  ? 5.507   -18.435 -7.098  1.000 7.225  0 49  ARG A NH2 1 ? 
ATOM   365  N  N   . LEU A 1 50  ? 1.522   -25.090 -2.896  1.000 5.475  0 50  LEU A N   1 ? 
ATOM   366  C  CA  . LEU A 1 50  ? 1.380   -26.369 -2.253  1.000 5.737  0 50  LEU A CA  1 ? 
ATOM   367  C  C   . LEU A 1 50  ? 2.654   -27.143 -2.511  1.000 5.578  0 50  LEU A C   1 ? 
ATOM   368  O  O   . LEU A 1 50  ? 3.403   -26.844 -3.435  1.000 6.034  0 50  LEU A O   1 ? 
ATOM   369  C  CB  . LEU A 1 50  ? 0.185   -27.127 -2.828  1.000 6.545  0 50  LEU A CB  1 ? 
ATOM   370  C  CG  . LEU A 1 50  ? -1.190  -26.433 -2.807  1.000 7.732  0 50  LEU A CG  1 ? 
ATOM   371  C  CD1 . LEU A 1 50  ? -1.457  -25.749 -4.125  1.000 8.822  0 50  LEU A CD1 1 ? 
ATOM   372  C  CD2 . LEU A 1 50  ? -2.323  -27.394 -2.512  1.000 9.576  0 50  LEU A CD2 1 ? 
ATOM   373  N  N   . GLY A 1 51  ? 2.946   -28.126 -1.662  1.000 5.554  0 51  GLY A N   1 ? 
ATOM   374  C  CA  . GLY A 1 51  ? 4.079   -29.006 -1.915  1.000 5.606  0 51  GLY A CA  1 ? 
ATOM   375  C  C   . GLY A 1 51  ? 5.412   -28.307 -1.610  1.000 5.369  0 51  GLY A C   1 ? 
ATOM   376  O  O   . GLY A 1 51  ? 6.467   -28.720 -2.087  1.000 5.376  0 51  GLY A O   1 ? 
ATOM   377  N  N   . GLU A 1 52  ? 5.350   -27.208 -0.841  1.000 5.296  0 52  GLU A N   1 ? 
ATOM   378  C  CA  . GLU A 1 52  ? 6.552   -26.433 -0.585  1.000 5.064  0 52  GLU A CA  1 ? 
ATOM   379  C  C   . GLU A 1 52  ? 7.362   -26.994 0.586   1.000 4.879  0 52  GLU A C   1 ? 
ATOM   380  O  O   . GLU A 1 52  ? 6.775   -27.325 1.625   1.000 4.851  0 52  GLU A O   1 ? 
ATOM   381  C  CB  . GLU A 1 52  ? 6.119   -25.012 -0.220  1.000 5.570  0 52  GLU A CB  1 ? 
ATOM   382  C  CG  . GLU A 1 52  ? 5.789   -24.170 -1.450  1.000 5.580  0 52  GLU A CG  1 ? 
ATOM   383  C  CD  . GLU A 1 52  ? 6.981   -23.727 -2.316  1.000 5.694  0 52  GLU A CD  1 ? 
ATOM   384  O  OE1 . GLU A 1 52  ? 8.077   -24.321 -2.252  1.000 6.030  0 52  GLU A OE1 1 ? 
ATOM   385  O  OE2 . GLU A 1 52  ? 6.789   -22.737 -3.075  1.000 5.739  0 52  GLU A OE2 1 ? 
ATOM   386  N  N   . ASP A 1 53  ? 8.700   -26.952 0.444   1.000 5.031  0 53  ASP A N   1 ? 
ATOM   387  C  CA  . ASP A 1 53  ? 9.604   -26.959 1.585   1.000 4.938  0 53  ASP A CA  1 ? 
ATOM   388  C  C   . ASP A 1 53  ? 10.401  -25.657 1.584   1.000 4.761  0 53  ASP A C   1 ? 
ATOM   389  O  O   . ASP A 1 53  ? 10.022  -24.707 2.256   1.000 4.580  0 53  ASP A O   1 ? 
ATOM   390  C  CB  . ASP A 1 53  ? 10.476  -28.194 1.741   1.000 5.040  0 53  ASP A CB  1 ? 
ATOM   391  C  CG  . ASP A 1 53  ? 11.174  -28.257 3.083   1.000 5.380  0 53  ASP A CG  1 ? 
ATOM   392  O  OD1 . ASP A 1 53  ? 10.467  -28.035 4.090   1.000 5.467  0 53  ASP A OD1 1 ? 
ATOM   393  O  OD2 . ASP A 1 53  ? 12.403  -28.515 3.104   1.000 5.573  0 53  ASP A OD2 1 ? 
ATOM   394  N  N   . ASN A 1 54  ? 11.446  -25.558 0.772   1.000 4.972  0 54  ASN A N   1 ? 
ATOM   395  C  CA  . ASN A 1 54  ? 12.162  -24.299 0.610   1.000 5.319  0 54  ASN A CA  1 ? 
ATOM   396  C  C   . ASN A 1 54  ? 11.314  -23.406 -0.297  1.000 5.247  0 54  ASN A C   1 ? 
ATOM   397  O  O   . ASN A 1 54  ? 11.079  -23.756 -1.455  1.000 5.948  0 54  ASN A O   1 ? 
ATOM   398  C  CB  . ASN A 1 54  ? 13.562  -24.572 0.086   1.000 5.523  0 54  ASN A CB  1 ? 
ATOM   399  C  CG  . ASN A 1 54  ? 14.423  -23.345 0.147   1.000 5.956  0 54  ASN A CG  1 ? 
ATOM   400  O  OD1 . ASN A 1 54  ? 13.952  -22.228 -0.099  1.000 5.379  0 54  ASN A OD1 1 ? 
ATOM   401  N  ND2 . ASN A 1 54  ? 15.640  -23.516 0.640   1.000 6.329  0 54  ASN A ND2 1 ? 
ATOM   402  N  N   . ILE A 1 55  ? 10.815  -22.298 0.263   1.000 4.574  0 55  ILE A N   1 ? 
ATOM   403  C  CA  . ILE A 1 55  ? 9.929   -21.406 -0.454  1.000 4.398  0 55  ILE A CA  1 ? 
ATOM   404  C  C   . ILE A 1 55  ? 10.684  -20.528 -1.439  1.000 4.375  0 55  ILE A C   1 ? 
ATOM   405  O  O   . ILE A 1 55  ? 10.024  -19.848 -2.255  1.000 4.264  0 55  ILE A O   1 ? 
ATOM   406  C  CB  . ILE A 1 55  ? 9.054   -20.552 0.466   1.000 4.139  0 55  ILE A CB  1 ? 
ATOM   407  C  CG1 . ILE A 1 55  ? 9.880   -19.820 1.504   1.000 4.397  0 55  ILE A CG1 1 ? 
ATOM   408  C  CG2 . ILE A 1 55  ? 7.928   -21.412 1.033   1.000 4.034  0 55  ILE A CG2 1 ? 
ATOM   409  C  CD1 . ILE A 1 55  ? 9.081   -18.811 2.303   1.000 4.595  0 55  ILE A CD1 1 ? 
ATOM   410  N  N   . ASN A 1 56  ? 12.032  -20.612 -1.419  1.000 4.746  0 56  ASN A N   1 ? 
ATOM   411  C  CA  . ASN A 1 56  ? 12.875  -19.831 -2.308  1.000 5.365  0 56  ASN A CA  1 ? 
ATOM   412  C  C   . ASN A 1 56  ? 13.546  -20.689 -3.379  1.000 5.723  0 56  ASN A C   1 ? 
ATOM   413  O  O   . ASN A 1 56  ? 14.360  -20.190 -4.158  1.000 6.089  0 56  ASN A O   1 ? 
ATOM   414  C  CB  . ASN A 1 56  ? 13.892  -19.023 -1.530  1.000 5.474  0 56  ASN A CB  1 ? 
ATOM   415  C  CG  . ASN A 1 56  ? 13.304  -17.746 -0.987  1.000 5.761  0 56  ASN A CG  1 ? 
ATOM   416  O  OD1 . ASN A 1 56  ? 12.584  -17.049 -1.710  1.000 5.660  0 56  ASN A OD1 1 ? 
ATOM   417  N  ND2 . ASN A 1 56  ? 13.648  -17.391 0.252   1.000 6.109  0 56  ASN A ND2 1 ? 
ATOM   418  N  N   . VAL A 1 57  ? 13.268  -21.999 -3.411  1.000 5.549  0 57  VAL A N   1 ? 
ATOM   419  C  CA  . VAL A 1 57  ? 13.917  -22.874 -4.369  1.000 5.496  0 57  VAL A CA  1 ? 
ATOM   420  C  C   . VAL A 1 57  ? 12.862  -23.811 -4.942  1.000 5.717  0 57  VAL A C   1 ? 
ATOM   421  O  O   . VAL A 1 57  ? 12.117  -24.374 -4.158  1.000 6.130  0 57  VAL A O   1 ? 
ATOM   422  C  CB  . VAL A 1 57  ? 15.035  -23.682 -3.686  1.000 5.632  0 57  VAL A CB  1 ? 
ATOM   423  C  CG1 . VAL A 1 57  ? 15.672  -24.618 -4.712  1.000 5.802  0 57  VAL A CG1 1 ? 
ATOM   424  C  CG2 . VAL A 1 57  ? 16.071  -22.777 -3.026  1.000 5.680  0 57  VAL A CG2 1 ? 
ATOM   425  N  N   . VAL A 1 58  ? 12.806  -23.983 -6.261  1.000 5.916  0 58  VAL A N   1 ? 
ATOM   426  C  CA  . VAL A 1 58  ? 11.950  -25.000 -6.867  1.000 6.492  0 58  VAL A CA  1 ? 
ATOM   427  C  C   . VAL A 1 58  ? 12.610  -26.363 -6.718  1.000 7.180  0 58  VAL A C   1 ? 
ATOM   428  O  O   . VAL A 1 58  ? 13.702  -26.596 -7.267  1.000 7.267  0 58  VAL A O   1 ? 
ATOM   429  C  CB  . VAL A 1 58  ? 11.648  -24.693 -8.338  1.000 6.807  0 58  VAL A CB  1 ? 
ATOM   430  C  CG1 . VAL A 1 58  ? 10.771  -25.779 -8.959  1.000 6.469  0 58  VAL A CG1 1 ? 
ATOM   431  C  CG2 . VAL A 1 58  ? 11.058  -23.306 -8.489  1.000 6.669  0 58  VAL A CG2 1 ? 
ATOM   432  N  N   . GLU A 1 59  ? 11.965  -27.225 -5.925  1.000 7.142  0 59  GLU A N   1 ? 
ATOM   433  C  CA  . GLU A 1 59  ? 12.574  -28.480 -5.507  1.000 7.835  0 59  GLU A CA  1 ? 
ATOM   434  C  C   . GLU A 1 59  ? 11.889  -29.668 -6.153  1.000 8.523  0 59  GLU A C   1 ? 
ATOM   435  O  O   . GLU A 1 59  ? 12.466  -30.758 -6.125  1.000 9.276  0 59  GLU A O   1 ? 
ATOM   436  C  CB  . GLU A 1 59  ? 12.661  -28.677 -3.992  1.000 7.839  0 59  GLU A CB  1 ? 
ATOM   437  C  CG  . GLU A 1 59  ? 13.334  -27.528 -3.248  1.000 8.410  0 59  GLU A CG  1 ? 
ATOM   438  C  CD  . GLU A 1 59  ? 13.429  -27.672 -1.744  1.000 9.256  0 59  GLU A CD  1 ? 
ATOM   439  O  OE1 . GLU A 1 59  ? 12.334  -27.512 -1.163  1.000 7.609  0 59  GLU A OE1 1 ? 
ATOM   440  O  OE2 . GLU A 1 59  ? 14.498  -27.948 -1.130  1.000 9.593  0 59  GLU A OE2 1 ? 
ATOM   441  N  N   . GLY A 1 60  ? 10.705  -29.469 -6.754  1.000 7.857  0 60  GLY A N   1 ? 
ATOM   442  C  CA  . GLY A 1 60  ? 10.115  -30.494 -7.606  1.000 8.730  0 60  GLY A CA  1 ? 
ATOM   443  C  C   . GLY A 1 60  ? 8.769   -31.044 -7.147  1.000 9.669  0 60  GLY A C   1 ? 
ATOM   444  O  O   . GLY A 1 60  ? 8.217   -31.877 -7.855  1.000 10.016 0 60  GLY A O   1 ? 
ATOM   445  N  N   . ASN A 1 61  ? 8.231   -30.624 -6.002  1.000 9.280  0 61  ASN A N   1 ? 
ATOM   446  C  CA  . ASN A 1 61  ? 6.941   -31.153 -5.583  1.000 9.133  0 61  ASN A CA  1 ? 
ATOM   447  C  C   . ASN A 1 61  ? 5.902   -30.040 -5.481  1.000 8.224  0 61  ASN A C   1 ? 
ATOM   448  O  O   . ASN A 1 61  ? 4.789   -30.251 -5.021  1.000 7.943  0 61  ASN A O   1 ? 
ATOM   449  C  CB  . ASN A 1 61  ? 7.052   -31.895 -4.260  1.000 10.039 0 61  ASN A CB  1 ? 
ATOM   450  C  CG  . ASN A 1 61  ? 7.775   -33.194 -4.469  1.000 11.267 0 61  ASN A CG  1 ? 
ATOM   451  O  OD1 . ASN A 1 61  ? 7.277   -34.052 -5.215  1.000 14.462 0 61  ASN A OD1 1 ? 
ATOM   452  N  ND2 . ASN A 1 61  ? 8.933   -33.344 -3.856  1.000 12.146 0 61  ASN A ND2 1 ? 
ATOM   453  N  N   . GLU A 1 62  ? 6.278   -28.851 -5.919  1.000 7.571  0 62  GLU A N   1 ? 
ATOM   454  C  CA  . GLU A 1 62  ? 5.349   -27.724 -5.851  1.000 6.640  0 62  GLU A CA  1 ? 
ATOM   455  C  C   . GLU A 1 62  ? 4.144   -27.843 -6.786  1.000 6.577  0 62  GLU A C   1 ? 
ATOM   456  O  O   . GLU A 1 62  ? 4.254   -28.303 -7.931  1.000 6.539  0 62  GLU A O   1 ? 
ATOM   457  C  CB  . GLU A 1 62  ? 6.085   -26.440 -6.212  1.000 6.419  0 62  GLU A CB  1 ? 
ATOM   458  C  CG  . GLU A 1 62  ? 7.192   -26.097 -5.213  1.000 6.310  0 62  GLU A CG  1 ? 
ATOM   459  C  CD  . GLU A 1 62  ? 8.572   -26.584 -5.626  1.000 5.708  0 62  GLU A CD  1 ? 
ATOM   460  O  OE1 . GLU A 1 62  ? 8.683   -27.378 -6.594  1.000 5.732  0 62  GLU A OE1 1 ? 
ATOM   461  O  OE2 . GLU A 1 62  ? 9.557   -26.183 -4.935  1.000 5.620  0 62  GLU A OE2 1 ? 
ATOM   462  N  N   . GLN A 1 63  ? 3.004   -27.291 -6.338  1.000 6.480  0 63  GLN A N   1 ? 
ATOM   463  C  CA  . GLN A 1 63  ? 1.941   -26.900 -7.251  1.000 6.655  0 63  GLN A CA  1 ? 
ATOM   464  C  C   . GLN A 1 63  ? 1.577   -25.460 -6.931  1.000 6.876  0 63  GLN A C   1 ? 
ATOM   465  O  O   . GLN A 1 63  ? 1.361   -25.177 -5.763  1.000 6.594  0 63  GLN A O   1 ? 
ATOM   466  C  CB  . GLN A 1 63  ? 0.705   -27.784 -7.076  1.000 6.773  0 63  GLN A CB  1 ? 
ATOM   467  C  CG  . GLN A 1 63  ? 0.981   -29.270 -7.265  1.000 7.512  0 63  GLN A CG  1 ? 
ATOM   468  C  CD  . GLN A 1 63  ? -0.227  -30.162 -7.021  1.000 7.589  0 63  GLN A CD  1 ? 
ATOM   469  O  OE1 . GLN A 1 63  ? -1.359  -29.847 -7.426  1.000 8.282  0 63  GLN A OE1 1 ? 
ATOM   470  N  NE2 . GLN A 1 63  ? 0.000   -31.272 -6.328  1.000 7.786  0 63  GLN A NE2 1 ? 
ATOM   471  N  N   . PHE A 1 64  ? 1.603   -24.583 -7.957  1.000 6.755  0 64  PHE A N   1 ? 
ATOM   472  C  CA  . PHE A 1 64  ? 1.248   -23.181 -7.798  1.000 7.480  0 64  PHE A CA  1 ? 
ATOM   473  C  C   . PHE A 1 64  ? -0.096  -22.929 -8.479  1.000 7.419  0 64  PHE A C   1 ? 
ATOM   474  O  O   . PHE A 1 64  ? -0.203  -23.116 -9.695  1.000 8.699  0 64  PHE A O   1 ? 
ATOM   475  C  CB  . PHE A 1 64  ? 2.318   -22.314 -8.449  1.000 7.839  0 64  PHE A CB  1 ? 
ATOM   476  C  CG  . PHE A 1 64  ? 3.730   -22.367 -7.874  1.000 8.734  0 64  PHE A CG  1 ? 
ATOM   477  C  CD1 . PHE A 1 64  ? 4.023   -22.985 -6.674  1.000 8.898  0 64  PHE A CD1 1 ? 
ATOM   478  C  CD2 . PHE A 1 64  ? 4.760   -21.664 -8.502  1.000 9.550  0 64  PHE A CD2 1 ? 
ATOM   479  C  CE1 . PHE A 1 64  ? 5.302   -22.961 -6.152  1.000 9.194  0 64  PHE A CE1 1 ? 
ATOM   480  C  CE2 . PHE A 1 64  ? 6.043   -21.631 -7.969  1.000 9.914  0 64  PHE A CE2 1 ? 
ATOM   481  C  CZ  . PHE A 1 64  ? 6.310   -22.297 -6.805  1.000 9.128  0 64  PHE A CZ  1 ? 
ATOM   482  N  N   . ILE A 1 65  ? -1.121  -22.535 -7.700  1.000 6.689  0 65  ILE A N   1 ? 
ATOM   483  C  CA  . ILE A 1 65  ? -2.478  -22.446 -8.194  1.000 6.734  0 65  ILE A CA  1 ? 
ATOM   484  C  C   . ILE A 1 65  ? -3.043  -21.124 -7.689  1.000 6.731  0 65  ILE A C   1 ? 
ATOM   485  O  O   . ILE A 1 65  ? -3.007  -20.830 -6.486  1.000 6.696  0 65  ILE A O   1 ? 
ATOM   486  C  CB  . ILE A 1 65  ? -3.316  -23.641 -7.725  1.000 6.337  0 65  ILE A CB  1 ? 
ATOM   487  C  CG1 . ILE A 1 65  ? -2.705  -25.017 -8.091  1.000 6.394  0 65  ILE A CG1 1 ? 
ATOM   488  C  CG2 . ILE A 1 65  ? -4.725  -23.482 -8.301  1.000 6.180  0 65  ILE A CG2 1 ? 
ATOM   489  C  CD1 . ILE A 1 65  ? -3.451  -26.202 -7.527  1.000 6.493  0 65  ILE A CD1 1 ? 
ATOM   490  N  N   . SER A 1 66  ? -3.495  -20.280 -8.621  1.000 7.507  0 66  SER A N   1 ? 
ATOM   491  C  CA  . SER A 1 66  ? -4.129  -19.010 -8.268  1.000 7.856  0 66  SER A CA  1 ? 
ATOM   492  C  C   . SER A 1 66  ? -5.429  -19.227 -7.509  1.000 7.336  0 66  SER A C   1 ? 
ATOM   493  O  O   . SER A 1 66  ? -6.190  -20.139 -7.817  1.000 7.018  0 66  SER A O   1 ? 
ATOM   494  C  CB  . SER A 1 66  ? -4.444  -18.220 -9.465  1.000 9.207  0 66  SER A CB  1 ? 
ATOM   495  O  OG  . SER A 1 66  ? -3.270  -17.813 -10.128 1.000 11.705 0 66  SER A OG  1 ? 
ATOM   496  N  N   . ALA A 1 67  ? -5.696  -18.321 -6.558  1.000 7.340  0 67  ALA A N   1 ? 
ATOM   497  C  CA  . ALA A 1 67  ? -7.016  -18.254 -5.942  1.000 8.297  0 67  ALA A CA  1 ? 
ATOM   498  C  C   . ALA A 1 67  ? -8.037  -17.746 -6.956  1.000 8.901  0 67  ALA A C   1 ? 
ATOM   499  O  O   . ALA A 1 67  ? -7.799  -16.753 -7.675  1.000 10.148 0 67  ALA A O   1 ? 
ATOM   500  C  CB  . ALA A 1 67  ? -6.997  -17.356 -4.735  1.000 8.172  0 67  ALA A CB  1 ? 
ATOM   501  N  N   . SER A 1 68  ? -9.207  -18.389 -6.985  1.000 8.781  0 68  SER A N   1 ? 
ATOM   502  C  CA  . SER A 1 68  ? -10.291 -17.866 -7.807  1.000 9.662  0 68  SER A CA  1 ? 
ATOM   503  C  C   . SER A 1 68  ? -11.266 -17.047 -6.963  1.000 9.577  0 68  SER A C   1 ? 
ATOM   504  O  O   . SER A 1 68  ? -11.995 -16.206 -7.476  1.000 9.947  0 68  SER A O   1 ? 
ATOM   505  C  CB  . SER A 1 68  ? -11.024 -18.957 -8.509  1.000 10.422 0 68  SER A CB  1 ? 
ATOM   506  O  OG  . SER A 1 68  ? -11.665 -19.792 -7.571  1.000 10.686 0 68  SER A OG  1 ? 
ATOM   507  N  N   . LYS A 1 69  ? -11.295 -17.304 -5.662  1.000 9.265  0 69  LYS A N   1 ? 
ATOM   508  C  CA  . LYS A 1 69  ? -12.231 -16.621 -4.788  1.000 10.165 0 69  LYS A CA  1 ? 
ATOM   509  C  C   . LYS A 1 69  ? -11.741 -16.674 -3.345  1.000 8.690  0 69  LYS A C   1 ? 
ATOM   510  O  O   . LYS A 1 69  ? -11.244 -17.681 -2.886  1.000 9.038  0 69  LYS A O   1 ? 
ATOM   511  C  CB  . LYS A 1 69  ? -13.571 -17.358 -4.904  1.000 12.860 0 69  LYS A CB  1 ? 
ATOM   512  C  CG  . LYS A 1 69  ? -14.712 -16.869 -4.046  1.000 15.746 0 69  LYS A CG  1 ? 
ATOM   513  C  CD  . LYS A 1 69  ? -16.000 -17.674 -4.167  1.000 15.970 0 69  LYS A CD  1 ? 
ATOM   514  C  CE  . LYS A 1 69  ? -16.776 -17.359 -5.401  1.000 16.959 0 69  LYS A CE  1 ? 
ATOM   515  N  NZ  . LYS A 1 69  ? -18.174 -17.795 -5.307  1.000 17.895 0 69  LYS A NZ  1 ? 
ATOM   516  N  N   . SER A 1 70  ? -11.894 -15.582 -2.617  1.000 7.665  0 70  SER A N   1 ? 
ATOM   517  C  CA  . SER A 1 70  ? -11.637 -15.590 -1.190  1.000 7.948  0 70  SER A CA  1 ? 
ATOM   518  C  C   . SER A 1 70  ? -12.915 -15.258 -0.436  1.000 6.177  0 70  SER A C   1 ? 
ATOM   519  O  O   . SER A 1 70  ? -13.731 -14.466 -0.922  1.000 5.197  0 70  SER A O   1 ? 
ATOM   520  C  CB  . SER A 1 70  ? -10.520 -14.633 -0.851  1.000 8.968  0 70  SER A CB  1 ? 
ATOM   521  O  OG  . SER A 1 70  ? -9.299  -15.240 -1.289  1.000 11.992 0 70  SER A OG  1 ? 
ATOM   522  N  N   . ILE A 1 71  ? -13.116 -15.904 0.719   1.000 5.096  0 71  ILE A N   1 ? 
ATOM   523  C  CA  . ILE A 1 71  ? -14.302 -15.665 1.543   1.000 4.724  0 71  ILE A CA  1 ? 
ATOM   524  C  C   . ILE A 1 71  ? -13.858 -15.516 2.984   1.000 4.240  0 71  ILE A C   1 ? 
ATOM   525  O  O   . ILE A 1 71  ? -13.589 -16.499 3.661   1.000 4.187  0 71  ILE A O   1 ? 
ATOM   526  C  CB  . ILE A 1 71  ? -15.338 -16.789 1.427   1.000 4.713  0 71  ILE A CB  1 ? 
ATOM   527  C  CG1 . ILE A 1 71  ? -15.688 -17.128 -0.031  1.000 4.942  0 71  ILE A CG1 1 ? 
ATOM   528  C  CG2 . ILE A 1 71  ? -16.580 -16.473 2.289   1.000 4.757  0 71  ILE A CG2 1 ? 
ATOM   529  C  CD1 . ILE A 1 71  ? -16.426 -18.432 -0.223  1.000 5.240  0 71  ILE A CD1 1 ? 
ATOM   530  N  N   . VAL A 1 72  ? -13.843 -14.266 3.436   1.000 3.989  0 72  VAL A N   1 ? 
ATOM   531  C  CA  . VAL A 1 72  ? -13.614 -13.958 4.824   1.000 3.893  0 72  VAL A CA  1 ? 
ATOM   532  C  C   . VAL A 1 72  ? -14.905 -14.304 5.567   1.000 3.840  0 72  VAL A C   1 ? 
ATOM   533  O  O   . VAL A 1 72  ? -16.019 -14.057 5.074   1.000 3.667  0 72  VAL A O   1 ? 
ATOM   534  C  CB  . VAL A 1 72  ? -13.186 -12.466 4.921   1.000 3.667  0 72  VAL A CB  1 ? 
ATOM   535  C  CG1 . VAL A 1 72  ? -13.224 -11.985 6.348   1.000 3.377  0 72  VAL A CG1 1 ? 
ATOM   536  C  CG2 . VAL A 1 72  ? -11.817 -12.208 4.318   1.000 3.556  0 72  VAL A CG2 1 ? 
ATOM   537  N  N   . HIS A 1 73  ? -14.743 -14.835 6.771   1.000 3.969  0 73  HIS A N   1 ? 
ATOM   538  C  CA  . HIS A 1 73  ? -15.864 -15.135 7.644   1.000 4.149  0 73  HIS A CA  1 ? 
ATOM   539  C  C   . HIS A 1 73  ? -16.824 -13.940 7.696   1.000 4.410  0 73  HIS A C   1 ? 
ATOM   540  O  O   . HIS A 1 73  ? -16.374 -12.772 7.825   1.000 3.824  0 73  HIS A O   1 ? 
ATOM   541  C  CB  . HIS A 1 73  ? -15.395 -15.513 9.055   1.000 4.378  0 73  HIS A CB  1 ? 
ATOM   542  C  CG  . HIS A 1 73  ? -16.479 -16.199 9.780   1.000 5.000  0 73  HIS A CG  1 ? 
ATOM   543  N  ND1 . HIS A 1 73  ? -17.403 -15.506 10.527  1.000 5.841  0 73  HIS A ND1 1 ? 
ATOM   544  C  CD2 . HIS A 1 73  ? -16.793 -17.520 9.891   1.000 5.224  0 73  HIS A CD2 1 ? 
ATOM   545  C  CE1 . HIS A 1 73  ? -18.286 -16.365 11.017  1.000 5.578  0 73  HIS A CE1 1 ? 
ATOM   546  N  NE2 . HIS A 1 73  ? -17.964 -17.588 10.598  1.000 5.370  0 73  HIS A NE2 1 ? 
ATOM   547  N  N   . PRO A 1 74  ? -18.144 -14.183 7.654   1.000 4.771  0 74  PRO A N   1 ? 
ATOM   548  C  CA  . PRO A 1 74  ? -19.094 -13.078 7.703   1.000 4.848  0 74  PRO A CA  1 ? 
ATOM   549  C  C   . PRO A 1 74  ? -19.009 -12.206 8.946   1.000 4.707  0 74  PRO A C   1 ? 
ATOM   550  O  O   . PRO A 1 74  ? -19.261 -11.019 8.804   1.000 5.222  0 74  PRO A O   1 ? 
ATOM   551  C  CB  . PRO A 1 74  ? -20.461 -13.780 7.651   1.000 4.873  0 74  PRO A CB  1 ? 
ATOM   552  C  CG  . PRO A 1 74  ? -20.180 -15.178 8.028   1.000 5.271  0 74  PRO A CG  1 ? 
ATOM   553  C  CD  . PRO A 1 74  ? -18.791 -15.472 7.430   1.000 4.794  0 74  PRO A CD  1 ? 
ATOM   554  N  N   . SER A 1 75  ? -18.520 -12.749 10.075  1.000 4.521  0 75  SER A N   1 ? 
ATOM   555  C  CA  . SER A 1 75  ? -18.490 -12.004 11.326  1.000 4.575  0 75  SER A CA  1 ? 
ATOM   556  C  C   . SER A 1 75  ? -17.065 -11.650 11.744  1.000 4.146  0 75  SER A C   1 ? 
ATOM   557  O  O   . SER A 1 75  ? -16.826 -11.303 12.902  1.000 4.154  0 75  SER A O   1 ? 
ATOM   558  C  CB  . SER A 1 75  ? -19.178 -12.810 12.381  1.000 5.217  0 75  SER A CB  1 ? 
ATOM   559  O  OG  . SER A 1 75  ? -20.544 -12.968 11.962  1.000 6.663  0 75  SER A OG  1 ? 
ATOM   560  N  N   . TYR A 1 76  ? -16.132 -11.713 10.799  1.000 3.723  0 76  TYR A N   1 ? 
ATOM   561  C  CA  . TYR A 1 76  ? -14.763 -11.308 11.097  1.000 3.642  0 76  TYR A CA  1 ? 
ATOM   562  C  C   . TYR A 1 76  ? -14.708 -9.856  11.598  1.000 3.943  0 76  TYR A C   1 ? 
ATOM   563  O  O   . TYR A 1 76  ? -15.144 -8.938  10.921  1.000 3.934  0 76  TYR A O   1 ? 
ATOM   564  C  CB  . TYR A 1 76  ? -13.835 -11.473 9.887   1.000 3.388  0 76  TYR A CB  1 ? 
ATOM   565  C  CG  . TYR A 1 76  ? -12.410 -10.940 10.127  1.000 3.284  0 76  TYR A CG  1 ? 
ATOM   566  C  CD1 . TYR A 1 76  ? -11.643 -11.382 11.206  1.000 3.285  0 76  TYR A CD1 1 ? 
ATOM   567  C  CD2 . TYR A 1 76  ? -11.799 -10.045 9.234   1.000 3.353  0 76  TYR A CD2 1 ? 
ATOM   568  C  CE1 . TYR A 1 76  ? -10.325 -10.957 11.388  1.000 3.380  0 76  TYR A CE1 1 ? 
ATOM   569  C  CE2 . TYR A 1 76  ? -10.515 -9.539  9.471   1.000 3.415  0 76  TYR A CE2 1 ? 
ATOM   570  C  CZ  . TYR A 1 76  ? -9.755  -10.028 10.533  1.000 3.480  0 76  TYR A CZ  1 ? 
ATOM   571  O  OH  . TYR A 1 76  ? -8.458  -9.590  10.761  1.000 3.550  0 76  TYR A OH  1 ? 
ATOM   572  N  N   . ASN A 1 77  ? -14.066 -9.660  12.755  1.000 4.425  0 77  ASN A N   1 ? 
ATOM   573  C  CA  . ASN A 1 77  ? -13.767 -8.354  13.307  1.000 5.111  0 77  ASN A CA  1 ? 
ATOM   574  C  C   . ASN A 1 77  ? -12.238 -8.158  13.374  1.000 4.992  0 77  ASN A C   1 ? 
ATOM   575  O  O   . ASN A 1 77  ? -11.543 -8.810  14.152  1.000 4.907  0 77  ASN A O   1 ? 
ATOM   576  C  CB  . ASN A 1 77  ? -14.425 -8.219  14.673  1.000 5.886  0 77  ASN A CB  1 ? 
ATOM   577  C  CG  . ASN A 1 77  ? -14.189 -6.847  15.267  1.000 6.840  0 77  ASN A CG  1 ? 
ATOM   578  O  OD1 . ASN A 1 77  ? -13.105 -6.276  15.183  1.000 7.101  0 77  ASN A OD1 1 ? 
ATOM   579  N  ND2 . ASN A 1 77  ? -15.248 -6.236  15.755  1.000 7.858  0 77  ASN A ND2 1 ? 
ATOM   580  N  N   . SER A 1 78  ? -11.717 -7.246  12.570  1.000 5.465  0 78  SER A N   1 ? 
ATOM   581  C  CA  . SER A 1 78  ? -10.278 -7.073  12.449  1.000 5.867  0 78  SER A CA  1 ? 
ATOM   582  C  C   . SER A 1 78  ? -9.674  -6.367  13.666  1.000 6.039  0 78  SER A C   1 ? 
ATOM   583  O  O   . SER A 1 78  ? -8.457  -6.464  13.854  1.000 7.360  0 78  SER A O   1 ? 
ATOM   584  C  CB  . SER A 1 78  ? -9.919  -6.325  11.207  1.000 6.022  0 78  SER A CB  1 ? 
ATOM   585  O  OG  . SER A 1 78  ? -10.594 -5.078  11.165  1.000 6.892  0 78  SER A OG  1 ? 
ATOM   586  N  N   . ASN A 1 79  ? -10.483 -5.626  14.429  1.000 5.885  0 79  ASN A N   1 ? 
ATOM   587  C  CA  . ASN A 1 79  ? -9.995  -5.011  15.662  1.000 6.102  0 79  ASN A CA  1 ? 
ATOM   588  C  C   . ASN A 1 79  ? -9.800  -6.017  16.787  1.000 6.198  0 79  ASN A C   1 ? 
ATOM   589  O  O   . ASN A 1 79  ? -8.791  -5.957  17.464  1.000 7.831  0 79  ASN A O   1 ? 
ATOM   590  C  CB  . ASN A 1 79  ? -10.930 -3.910  16.145  1.000 6.509  0 79  ASN A CB  1 ? 
ATOM   591  C  CG  . ASN A 1 79  ? -11.015 -2.815  15.119  1.000 6.714  0 79  ASN A CG  1 ? 
ATOM   592  O  OD1 . ASN A 1 79  ? -9.988  -2.470  14.532  1.000 7.807  0 79  ASN A OD1 1 ? 
ATOM   593  N  ND2 . ASN A 1 79  ? -12.191 -2.232  14.926  1.000 7.499  0 79  ASN A ND2 1 ? 
ATOM   594  N  N   . THR A 1 80  ? -10.703 -6.983  16.944  1.000 5.743  0 80  THR A N   1 ? 
ATOM   595  C  CA  . THR A 1 80  ? -10.630 -7.951  18.036  1.000 5.133  0 80  THR A CA  1 ? 
ATOM   596  C  C   . THR A 1 80  ? -10.067 -9.293  17.574  1.000 5.079  0 80  THR A C   1 ? 
ATOM   597  O  O   . THR A 1 80  ? -9.718  -10.115 18.437  1.000 5.426  0 80  THR A O   1 ? 
ATOM   598  C  CB  . THR A 1 80  ? -12.008 -8.199  18.626  1.000 5.085  0 80  THR A CB  1 ? 
ATOM   599  O  OG1 . THR A 1 80  ? -12.782 -8.802  17.590  1.000 4.642  0 80  THR A OG1 1 ? 
ATOM   600  C  CG2 . THR A 1 80  ? -12.650 -6.944  19.200  1.000 5.140  0 80  THR A CG2 1 ? 
ATOM   601  N  N   . LEU A 1 81  ? -9.999  -9.496  16.244  1.000 4.858  0 81  LEU A N   1 ? 
ATOM   602  C  CA  . LEU A 1 81  ? -9.619  -10.743 15.578  1.000 4.598  0 81  LEU A CA  1 ? 
ATOM   603  C  C   . LEU A 1 81  ? -10.597 -11.878 15.920  1.000 4.357  0 81  LEU A C   1 ? 
ATOM   604  O  O   . LEU A 1 81  ? -10.258 -13.044 15.713  1.000 4.339  0 81  LEU A O   1 ? 
ATOM   605  C  CB  . LEU A 1 81  ? -8.176  -11.137 15.879  1.000 4.980  0 81  LEU A CB  1 ? 
ATOM   606  C  CG  . LEU A 1 81  ? -7.152  -10.159 15.300  1.000 5.074  0 81  LEU A CG  1 ? 
ATOM   607  C  CD1 . LEU A 1 81  ? -5.753  -10.588 15.630  1.000 5.323  0 81  LEU A CD1 1 ? 
ATOM   608  C  CD2 . LEU A 1 81  ? -7.249  -9.971  13.806  1.000 5.203  0 81  LEU A CD2 1 ? 
ATOM   609  N  N   . ASN A 1 82  ? -11.798 -11.549 16.403  1.000 4.158  0 82  ASN A N   1 ? 
ATOM   610  C  CA  . ASN A 1 82  ? -12.819 -12.574 16.543  1.000 4.104  0 82  ASN A CA  1 ? 
ATOM   611  C  C   . ASN A 1 82  ? -13.200 -13.081 15.161  1.000 4.040  0 82  ASN A C   1 ? 
ATOM   612  O  O   . ASN A 1 82  ? -13.371 -12.308 14.212  1.000 4.661  0 82  ASN A O   1 ? 
ATOM   613  C  CB  . ASN A 1 82  ? -14.014 -12.020 17.295  1.000 3.997  0 82  ASN A CB  1 ? 
ATOM   614  C  CG  . ASN A 1 82  ? -14.901 -13.131 17.788  1.000 4.144  0 82  ASN A CG  1 ? 
ATOM   615  O  OD1 . ASN A 1 82  ? -14.417 -14.221 18.127  1.000 3.829  0 82  ASN A OD1 1 ? 
ATOM   616  N  ND2 . ASN A 1 82  ? -16.158 -12.770 18.016  1.000 4.415  0 82  ASN A ND2 1 ? 
ATOM   617  N  N   . ASN A 1 83  ? -13.324 -14.404 15.038  1.000 3.817  0 83  ASN A N   1 ? 
ATOM   618  C  CA  . ASN A 1 83  ? -13.693 -15.054 13.786  1.000 3.879  0 83  ASN A CA  1 ? 
ATOM   619  C  C   . ASN A 1 83  ? -12.574 -14.863 12.738  1.000 3.673  0 83  ASN A C   1 ? 
ATOM   620  O  O   . ASN A 1 83  ? -12.878 -14.578 11.573  1.000 3.936  0 83  ASN A O   1 ? 
ATOM   621  C  CB  . ASN A 1 83  ? -15.042 -14.592 13.235  1.000 4.113  0 83  ASN A CB  1 ? 
ATOM   622  C  CG  . ASN A 1 83  ? -16.184 -14.718 14.222  1.000 4.173  0 83  ASN A CG  1 ? 
ATOM   623  O  OD1 . ASN A 1 83  ? -16.549 -15.821 14.660  1.000 4.446  0 83  ASN A OD1 1 ? 
ATOM   624  N  ND2 . ASN A 1 83  ? -16.702 -13.591 14.680  1.000 4.430  0 83  ASN A ND2 1 ? 
ATOM   625  N  N   . ASP A 1 84  ? -11.307 -15.106 13.144  1.000 3.529  0 84  ASP A N   1 ? 
ATOM   626  C  CA  . ASP A 1 84  ? -10.166 -14.913 12.273  1.000 3.318  0 84  ASP A CA  1 ? 
ATOM   627  C  C   . ASP A 1 84  ? -9.979  -16.145 11.394  1.000 3.502  0 84  ASP A C   1 ? 
ATOM   628  O  O   . ASP A 1 84  ? -9.059  -16.944 11.587  1.000 3.354  0 84  ASP A O   1 ? 
ATOM   629  C  CB  . ASP A 1 84  ? -8.911  -14.548 13.052  1.000 3.097  0 84  ASP A CB  1 ? 
ATOM   630  C  CG  . ASP A 1 84  ? -7.740  -14.117 12.191  1.000 2.899  0 84  ASP A CG  1 ? 
ATOM   631  O  OD1 . ASP A 1 84  ? -7.978  -13.819 10.991  1.000 2.498  0 84  ASP A OD1 1 ? 
ATOM   632  O  OD2 . ASP A 1 84  ? -6.600  -14.016 12.732  1.000 2.817  0 84  ASP A OD2 1 ? 
ATOM   633  N  N   . ILE A 1 85  ? -10.839 -16.238 10.381  1.000 3.533  0 85  ILE A N   1 ? 
ATOM   634  C  CA  . ILE A 1 85  ? -10.840 -17.368 9.465   1.000 3.799  0 85  ILE A CA  1 ? 
ATOM   635  C  C   . ILE A 1 85  ? -11.356 -16.942 8.092   1.000 4.026  0 85  ILE A C   1 ? 
ATOM   636  O  O   . ILE A 1 85  ? -12.273 -16.118 7.967   1.000 3.482  0 85  ILE A O   1 ? 
ATOM   637  C  CB  . ILE A 1 85  ? -11.650 -18.546 10.043  1.000 3.922  0 85  ILE A CB  1 ? 
ATOM   638  C  CG1 . ILE A 1 85  ? -11.512 -19.825 9.212   1.000 3.969  0 85  ILE A CG1 1 ? 
ATOM   639  C  CG2 . ILE A 1 85  ? -13.120 -18.181 10.247  1.000 3.863  0 85  ILE A CG2 1 ? 
ATOM   640  C  CD1 . ILE A 1 85  ? -12.180 -21.030 9.885   1.000 3.970  0 85  ILE A CD1 1 ? 
ATOM   641  N  N   . MET A 1 86  ? -10.731 -17.525 7.065   1.000 4.543  0 86  MET A N   1 ? 
ATOM   642  C  CA  . MET A 1 86  ? -11.149 -17.291 5.701   1.000 5.534  0 86  MET A CA  1 ? 
ATOM   643  C  C   . MET A 1 86  ? -10.880 -18.538 4.874   1.000 5.238  0 86  MET A C   1 ? 
ATOM   644  O  O   . MET A 1 86  ? -9.979  -19.334 5.153   1.000 5.424  0 86  MET A O   1 ? 
ATOM   645  C  CB  . MET A 1 86  ? -10.434 -16.113 5.032   1.000 6.870  0 86  MET A CB  1 ? 
ATOM   646  C  CG  . MET A 1 86  ? -8.975  -16.312 4.697   1.000 8.819  0 86  MET A CG  1 ? 
ATOM   647  S  SD  . MET A 1 86  ? -8.305  -14.915 3.750   1.000 13.389 0 86  MET A SD  1 ? 
ATOM   648  C  CE  . MET A 1 86  ? -9.425  -14.508 2.451   1.000 13.881 0 86  MET A CE  1 ? 
ATOM   649  N  N   . LEU A 1 87  ? -11.695 -18.684 3.824   1.000 4.976  0 87  LEU A N   1 ? 
ATOM   650  C  CA  . LEU A 1 87  ? -11.593 -19.776 2.869   1.000 4.963  0 87  LEU A CA  1 ? 
ATOM   651  C  C   . LEU A 1 87  ? -11.123 -19.210 1.543   1.000 5.317  0 87  LEU A C   1 ? 
ATOM   652  O  O   . LEU A 1 87  ? -11.484 -18.080 1.156   1.000 5.825  0 87  LEU A O   1 ? 
ATOM   653  C  CB  . LEU A 1 87  ? -12.944 -20.470 2.665   1.000 4.897  0 87  LEU A CB  1 ? 
ATOM   654  C  CG  . LEU A 1 87  ? -13.406 -21.364 3.814   1.000 5.180  0 87  LEU A CG  1 ? 
ATOM   655  C  CD1 . LEU A 1 87  ? -14.899 -21.743 3.719   1.000 5.473  0 87  LEU A CD1 1 ? 
ATOM   656  C  CD2 . LEU A 1 87  ? -12.543 -22.613 3.813   1.000 5.245  0 87  LEU A CD2 1 ? 
ATOM   657  N  N   . ILE A 1 88  ? -10.303 -19.993 0.869   1.000 5.358  0 88  ILE A N   1 ? 
ATOM   658  C  CA  . ILE A 1 88  ? -9.765  -19.641 -0.422  1.000 5.450  0 88  ILE A CA  1 ? 
ATOM   659  C  C   . ILE A 1 88  ? -10.038 -20.805 -1.350  1.000 5.703  0 88  ILE A C   1 ? 
ATOM   660  O  O   . ILE A 1 88  ? -9.615  -21.925 -1.075  1.000 5.311  0 88  ILE A O   1 ? 
ATOM   661  C  CB  . ILE A 1 88  ? -8.256  -19.363 -0.348  1.000 5.841  0 88  ILE A CB  1 ? 
ATOM   662  C  CG1 . ILE A 1 88  ? -7.934  -18.215 0.610   1.000 5.796  0 88  ILE A CG1 1 ? 
ATOM   663  C  CG2 . ILE A 1 88  ? -7.712  -19.114 -1.763  1.000 6.326  0 88  ILE A CG2 1 ? 
ATOM   664  C  CD1 . ILE A 1 88  ? -6.453  -18.143 0.949   1.000 6.186  0 88  ILE A CD1 1 ? 
ATOM   665  N  N   . LYS A 1 89  ? -10.689 -20.508 -2.468  1.000 5.763  0 89  LYS A N   1 ? 
ATOM   666  C  CA  . LYS A 1 89  ? -10.863 -21.544 -3.477  1.000 6.628  0 89  LYS A CA  1 ? 
ATOM   667  C  C   . LYS A 1 89  ? -9.792  -21.382 -4.557  1.000 6.711  0 89  LYS A C   1 ? 
ATOM   668  O  O   . LYS A 1 89  ? -9.460  -20.258 -4.983  1.000 6.815  0 89  LYS A O   1 ? 
ATOM   669  C  CB  . LYS A 1 89  ? -12.289 -21.444 -4.021  1.000 6.939  0 89  LYS A CB  1 ? 
ATOM   670  C  CG  . LYS A 1 89  ? -12.635 -22.593 -4.977  1.000 7.503  0 89  LYS A CG  1 ? 
ATOM   671  C  CD  . LYS A 1 89  ? -14.020 -22.555 -5.611  1.000 8.842  0 89  LYS A CD  1 ? 
ATOM   672  C  CE  . LYS A 1 89  ? -14.339 -23.775 -6.455  1.000 9.722  0 89  LYS A CE  1 ? 
ATOM   673  N  NZ  . LYS A 1 89  ? -15.562 -23.565 -7.245  1.000 10.266 0 89  LYS A NZ  1 ? 
ATOM   674  N  N   . LEU A 1 90  ? -9.276  -22.533 -4.990  1.000 6.839  0 90  LEU A N   1 ? 
ATOM   675  C  CA  . LEU A 1 90  ? -8.270  -22.632 -6.034  1.000 7.759  0 90  LEU A CA  1 ? 
ATOM   676  C  C   . LEU A 1 90  ? -8.935  -22.613 -7.391  1.000 7.843  0 90  LEU A C   1 ? 
ATOM   677  O  O   . LEU A 1 90  ? -10.009 -23.211 -7.560  1.000 7.298  0 90  LEU A O   1 ? 
ATOM   678  C  CB  . LEU A 1 90  ? -7.475  -23.923 -5.872  1.000 8.026  0 90  LEU A CB  1 ? 
ATOM   679  C  CG  . LEU A 1 90  ? -6.831  -24.120 -4.507  1.000 9.425  0 90  LEU A CG  1 ? 
ATOM   680  C  CD1 . LEU A 1 90  ? -5.996  -25.388 -4.506  1.000 10.212 0 90  LEU A CD1 1 ? 
ATOM   681  C  CD2 . LEU A 1 90  ? -6.022  -22.947 -4.102  1.000 10.530 0 90  LEU A CD2 1 ? 
ATOM   682  N  N   . LYS A 1 91  ? -8.271  -21.985 -8.363  1.000 8.551  0 91  LYS A N   1 ? 
ATOM   683  C  CA  . LYS A 1 91  ? -8.816  -21.910 -9.716  1.000 11.755 0 91  LYS A CA  1 ? 
ATOM   684  C  C   . LYS A 1 91  ? -8.954  -23.295 -10.342 1.000 11.892 0 91  LYS A C   1 ? 
ATOM   685  O  O   . LYS A 1 91  ? -9.795  -23.502 -11.217 1.000 12.835 0 91  LYS A O   1 ? 
ATOM   686  C  CB  . LYS A 1 91  ? -7.887  -21.164 -10.677 1.000 15.727 0 91  LYS A CB  1 ? 
ATOM   687  C  CG  . LYS A 1 91  ? -8.006  -19.651 -10.654 1.000 20.394 0 91  LYS A CG  1 ? 
ATOM   688  C  CD  . LYS A 1 91  ? -7.642  -19.024 -12.003 1.000 25.573 0 91  LYS A CD  1 ? 
ATOM   689  C  CE  . LYS A 1 91  ? -8.817  -19.066 -12.968 1.000 29.775 0 91  LYS A CE  1 ? 
ATOM   690  N  NZ  . LYS A 1 91  ? -8.803  -18.058 -14.047 1.000 30.778 0 91  LYS A NZ  1 ? 
ATOM   691  N  N   . SER A 1 92  ? -8.032  -24.184 -9.970  1.000 11.495 0 92  SER A N   1 ? 
ATOM   692  C  CA  . SER A 1 92  ? -8.081  -25.579 -10.361 1.000 11.320 0 92  SER A CA  1 ? 
ATOM   693  C  C   . SER A 1 92  ? -7.812  -26.474 -9.153  1.000 10.326 0 92  SER A C   1 ? 
ATOM   694  O  O   . SER A 1 92  ? -7.168  -26.095 -8.180  1.000 9.576  0 92  SER A O   1 ? 
ATOM   695  C  CB  . SER A 1 92  ? -7.110  -25.875 -11.466 1.000 12.969 0 92  SER A CB  1 ? 
ATOM   696  O  OG  . SER A 1 92  ? -5.774  -25.649 -11.045 1.000 14.113 0 92  SER A OG  1 ? 
ATOM   697  N  N   . ALA A 1 93  ? -8.255  -27.732 -9.242  1.000 9.777  0 93  ALA A N   1 ? 
ATOM   698  C  CA  . ALA A 1 93  ? -8.039  -28.692 -8.181  1.000 10.350 0 93  ALA A CA  1 ? 
ATOM   699  C  C   . ALA A 1 93  ? -6.570  -29.085 -8.107  1.000 9.936  0 93  ALA A C   1 ? 
ATOM   700  O  O   . ALA A 1 93  ? -5.972  -29.360 -9.153  1.000 9.314  0 93  ALA A O   1 ? 
ATOM   701  C  CB  . ALA A 1 93  ? -8.891  -29.916 -8.440  1.000 11.260 0 93  ALA A CB  1 ? 
ATOM   702  N  N   . ALA A 1 94  ? -6.025  -29.105 -6.886  1.000 9.480  0 94  ALA A N   1 ? 
ATOM   703  C  CA  . ALA A 1 94  ? -4.696  -29.634 -6.645  1.000 9.656  0 94  ALA A CA  1 ? 
ATOM   704  C  C   . ALA A 1 94  ? -4.675  -31.131 -6.929  1.000 10.435 0 94  ALA A C   1 ? 
ATOM   705  O  O   . ALA A 1 94  ? -5.676  -31.822 -6.716  1.000 11.457 0 94  ALA A O   1 ? 
ATOM   706  C  CB  . ALA A 1 94  ? -4.263  -29.355 -5.223  1.000 9.384  0 94  ALA A CB  1 ? 
ATOM   707  N  N   . SER A 1 95  ? -3.511  -31.652 -7.335  1.000 10.287 0 95  SER A N   1 ? 
ATOM   708  C  CA  . SER A 1 95  ? -3.313  -33.101 -7.410  1.000 11.732 0 95  SER A CA  1 ? 
ATOM   709  C  C   . SER A 1 95  ? -2.817  -33.658 -6.082  1.000 12.721 0 95  SER A C   1 ? 
ATOM   710  O  O   . SER A 1 95  ? -1.706  -33.325 -5.646  1.000 11.775 0 95  SER A O   1 ? 
ATOM   711  C  CB  . SER A 1 95  ? -2.318  -33.469 -8.464  1.000 13.778 0 95  SER A CB  1 ? 
ATOM   712  O  OG  . SER A 1 95  ? -2.743  -32.949 -9.705  1.000 18.488 0 95  SER A OG  1 ? 
ATOM   713  N  N   . LEU A 1 96  ? -3.607  -34.566 -5.493  1.000 12.540 0 96  LEU A N   1 ? 
ATOM   714  C  CA  . LEU A 1 96  ? -3.322  -35.076 -4.166  1.000 14.102 0 96  LEU A CA  1 ? 
ATOM   715  C  C   . LEU A 1 96  ? -2.616  -36.426 -4.286  1.000 16.523 0 96  LEU A C   1 ? 
ATOM   716  O  O   . LEU A 1 96  ? -3.044  -37.261 -5.088  1.000 16.606 0 96  LEU A O   1 ? 
ATOM   717  C  CB  . LEU A 1 96  ? -4.602  -35.166 -3.343  1.000 13.851 0 96  LEU A CB  1 ? 
ATOM   718  C  CG  . LEU A 1 96  ? -5.446  -33.893 -3.220  1.000 14.788 0 96  LEU A CG  1 ? 
ATOM   719  C  CD1 . LEU A 1 96  ? -6.675  -34.102 -2.366  1.000 15.626 0 96  LEU A CD1 1 ? 
ATOM   720  C  CD2 . LEU A 1 96  ? -4.667  -32.765 -2.622  1.000 15.044 0 96  LEU A CD2 1 ? 
ATOM   721  N  N   . ASN A 1 97  ? -1.513  -36.522 -3.525  1.000 21.428 0 97  ASN A N   1 ? 
ATOM   722  C  CA  . ASN A 1 97  ? -0.504  -37.585 -3.427  1.000 25.537 0 97  ASN A CA  1 ? 
ATOM   723  C  C   . ASN A 1 97  ? 0.031   -37.535 -1.982  1.000 21.690 0 97  ASN A C   1 ? 
ATOM   724  O  O   . ASN A 1 97  ? -0.600  -36.887 -1.136  1.000 22.221 0 97  ASN A O   1 ? 
ATOM   725  C  CB  . ASN A 1 97  ? 0.590   -37.433 -4.490  1.000 30.866 0 97  ASN A CB  1 ? 
ATOM   726  C  CG  . ASN A 1 97  ? 1.121   -36.012 -4.610  1.000 38.978 0 97  ASN A CG  1 ? 
ATOM   727  O  OD1 . ASN A 1 97  ? 0.605   -35.202 -5.403  1.000 38.721 0 97  ASN A OD1 1 ? 
ATOM   728  N  ND2 . ASN A 1 97  ? 2.150   -35.682 -3.836  1.000 38.212 0 97  ASN A ND2 1 ? 
ATOM   729  N  N   . SER A 1 98  ? 1.147   -38.231 -1.654  1.000 18.760 0 98  SER A N   1 ? 
ATOM   730  C  CA  . SER A 1 98  ? 1.657   -38.288 -0.282  1.000 17.867 0 98  SER A CA  1 ? 
ATOM   731  C  C   . SER A 1 98  ? 2.228   -36.952 0.211   1.000 14.712 0 98  SER A C   1 ? 
ATOM   732  O  O   . SER A 1 98  ? 2.232   -36.686 1.412   1.000 13.993 0 98  SER A O   1 ? 
ATOM   733  C  CB  . SER A 1 98  ? 2.743   -39.334 -0.157  1.000 21.413 0 98  SER A CB  1 ? 
ATOM   734  O  OG  . SER A 1 98  ? 3.830   -39.001 -1.032  1.000 23.117 0 98  SER A OG  1 ? 
ATOM   735  N  N   . ARG A 1 99  ? 2.751   -36.141 -0.709  1.000 12.935 0 99  ARG A N   1 ? 
ATOM   736  C  CA  . ARG A 1 99  ? 3.411   -34.885 -0.361  1.000 12.411 0 99  ARG A CA  1 ? 
ATOM   737  C  C   . ARG A 1 99  ? 2.475   -33.680 -0.430  1.000 11.268 0 99  ARG A C   1 ? 
ATOM   738  O  O   . ARG A 1 99  ? 2.846   -32.598 0.041   1.000 10.493 0 99  ARG A O   1 ? 
ATOM   739  C  CB  . ARG A 1 99  ? 4.609   -34.655 -1.282  1.000 12.966 0 99  ARG A CB  1 ? 
ATOM   740  C  CG  . ARG A 1 99  ? 5.644   -35.758 -1.095  1.000 13.033 0 99  ARG A CG  1 ? 
ATOM   741  C  CD  . ARG A 1 99  ? 6.913   -35.484 -1.918  1.000 15.162 0 99  ARG A CD  1 ? 
ATOM   742  N  NE  . ARG A 1 99  ? 7.953   -36.488 -1.627  1.000 18.222 0 99  ARG A NE  1 ? 
ATOM   743  C  CZ  . ARG A 1 99  ? 7.882   -37.784 -1.912  1.000 23.734 0 99  ARG A CZ  1 ? 
ATOM   744  N  NH1 . ARG A 1 99  ? 6.928   -38.265 -2.708  1.000 26.745 0 99  ARG A NH1 1 ? 
ATOM   745  N  NH2 . ARG A 1 99  ? 8.806   -38.606 -1.432  1.000 26.655 0 99  ARG A NH2 1 ? 
ATOM   746  N  N   . VAL A 1 100 ? 1.312   -33.846 -1.070  1.000 9.997  0 100 VAL A N   1 ? 
ATOM   747  C  CA  . VAL A 1 100 ? 0.273   -32.824 -1.058  1.000 8.837  0 100 VAL A CA  1 ? 
ATOM   748  C  C   . VAL A 1 100 ? -1.033  -33.514 -0.686  1.000 8.636  0 100 VAL A C   1 ? 
ATOM   749  O  O   . VAL A 1 100 ? -1.522  -34.341 -1.443  1.000 8.508  0 100 VAL A O   1 ? 
ATOM   750  C  CB  . VAL A 1 100 ? 0.169   -32.055 -2.397  1.000 9.179  0 100 VAL A CB  1 ? 
ATOM   751  C  CG1 . VAL A 1 100 ? -0.968  -31.031 -2.392  1.000 10.192 0 100 VAL A CG1 1 ? 
ATOM   752  C  CG2 . VAL A 1 100 ? 1.499   -31.368 -2.717  1.000 9.385  0 100 VAL A CG2 1 ? 
ATOM   753  N  N   . ALA A 1 101 ? -1.608  -33.155 0.448   1.000 7.642  0 101 ALA A N   1 ? 
ATOM   754  C  CA  . ALA A 1 101 ? -2.736  -33.888 0.979   1.000 7.191  0 101 ALA A CA  1 ? 
ATOM   755  C  C   . ALA A 1 101 ? -3.614  -32.934 1.771   1.000 6.889  0 101 ALA A C   1 ? 
ATOM   756  O  O   . ALA A 1 101 ? -3.109  -31.959 2.322   1.000 6.445  0 101 ALA A O   1 ? 
ATOM   757  C  CB  . ALA A 1 101 ? -2.204  -34.996 1.841   1.000 6.875  0 101 ALA A CB  1 ? 
ATOM   758  N  N   . SER A 1 102 ? -4.914  -33.229 1.819   1.000 6.984  0 102 SER A N   1 ? 
ATOM   759  C  CA  . SER A 1 102 ? -5.826  -32.464 2.656   1.000 6.937  0 102 SER A CA  1 ? 
ATOM   760  C  C   . SER A 1 102 ? -5.705  -32.920 4.113   1.000 7.264  0 102 SER A C   1 ? 
ATOM   761  O  O   . SER A 1 102 ? -5.200  -34.032 4.369   1.000 7.822  0 102 SER A O   1 ? 
ATOM   762  C  CB  . SER A 1 102 ? -7.215  -32.591 2.176   1.000 7.816  0 102 SER A CB  1 ? 
ATOM   763  O  OG  . SER A 1 102 ? -7.577  -33.951 1.986   1.000 8.256  0 102 SER A OG  1 ? 
ATOM   764  N  N   . ILE A 1 103 ? -6.065  -32.026 5.042   1.000 6.514  0 103 ILE A N   1 ? 
ATOM   765  C  CA  . ILE A 1 103 ? -6.163  -32.326 6.462   1.000 6.923  0 103 ILE A CA  1 ? 
ATOM   766  C  C   . ILE A 1 103 ? -7.639  -32.383 6.840   1.000 6.524  0 103 ILE A C   1 ? 
ATOM   767  O  O   . ILE A 1 103 ? -8.435  -31.510 6.455   1.000 6.307  0 103 ILE A O   1 ? 
ATOM   768  C  CB  . ILE A 1 103 ? -5.349  -31.344 7.334   1.000 7.085  0 103 ILE A CB  1 ? 
ATOM   769  C  CG1 . ILE A 1 103 ? -5.327  -31.729 8.819   1.000 7.583  0 103 ILE A CG1 1 ? 
ATOM   770  C  CG2 . ILE A 1 103 ? -5.822  -29.907 7.145   1.000 7.778  0 103 ILE A CG2 1 ? 
ATOM   771  C  CD1 . ILE A 1 103 ? -4.483  -32.957 9.098   1.000 7.484  0 103 ILE A CD1 1 ? 
ATOM   772  N  N   . SER A 1 104 ? -7.967  -33.402 7.659   1.000 7.052  0 104 SER A N   1 ? 
ATOM   773  C  CA  . SER A 1 104 ? -9.333  -33.558 8.138   1.000 7.725  0 104 SER A CA  1 ? 
ATOM   774  C  C   . SER A 1 104 ? -9.771  -32.407 9.033   1.000 7.285  0 104 SER A C   1 ? 
ATOM   775  O  O   . SER A 1 104 ? -8.998  -31.919 9.855   1.000 7.397  0 104 SER A O   1 ? 
ATOM   776  C  CB  . SER A 1 104 ? -9.445  -34.834 8.901   1.000 8.604  0 104 SER A CB  1 ? 
ATOM   777  O  OG  . SER A 1 104 ? -9.202  -35.917 8.018   1.000 10.586 0 104 SER A OG  1 ? 
ATOM   778  N  N   . LEU A 1 105 ? -11.041 -32.017 8.841   1.000 7.718  0 105 LEU A N   1 ? 
ATOM   779  C  CA  . LEU A 1 105 ? -11.710 -31.095 9.738   1.000 8.401  0 105 LEU A CA  1 ? 
ATOM   780  C  C   . LEU A 1 105 ? -12.113 -31.829 11.003  1.000 8.379  0 105 LEU A C   1 ? 
ATOM   781  O  O   . LEU A 1 105 ? -12.311 -33.039 10.992  1.000 9.636  0 105 LEU A O   1 ? 
ATOM   782  C  CB  . LEU A 1 105 ? -12.904 -30.435 9.065   1.000 9.119  0 105 LEU A CB  1 ? 
ATOM   783  C  CG  . LEU A 1 105 ? -12.544 -29.490 7.915   1.000 10.830 0 105 LEU A CG  1 ? 
ATOM   784  C  CD1 . LEU A 1 105 ? -13.812 -29.064 7.225   1.000 11.788 0 105 LEU A CD1 1 ? 
ATOM   785  C  CD2 . LEU A 1 105 ? -11.740 -28.310 8.397   1.000 10.845 0 105 LEU A CD2 1 ? 
ATOM   786  N  N   . PRO A 1 106 ? -12.195 -31.130 12.152  1.000 8.849  0 106 PRO A N   1 ? 
ATOM   787  C  CA  . PRO A 1 106 ? -12.531 -31.784 13.413  1.000 10.633 0 106 PRO A CA  1 ? 
ATOM   788  C  C   . PRO A 1 106 ? -14.013 -32.142 13.394  1.000 12.024 0 106 PRO A C   1 ? 
ATOM   789  O  O   . PRO A 1 106 ? -14.783 -31.485 12.727  1.000 11.391 0 106 PRO A O   1 ? 
ATOM   790  C  CB  . PRO A 1 106 ? -12.180 -30.773 14.489  1.000 10.054 0 106 PRO A CB  1 ? 
ATOM   791  C  CG  . PRO A 1 106 ? -12.109 -29.460 13.777  1.000 9.535  0 106 PRO A CG  1 ? 
ATOM   792  C  CD  . PRO A 1 106 ? -11.832 -29.710 12.293  1.000 9.320  0 106 PRO A CD  1 ? 
ATOM   793  N  N   . THR A 1 107 ? -14.399 -33.221 14.072  1.000 14.667 0 107 THR A N   1 ? 
ATOM   794  C  CA  . THR A 1 107 ? -15.811 -33.508 14.303  1.000 16.809 0 107 THR A CA  1 ? 
ATOM   795  C  C   . THR A 1 107 ? -16.177 -33.048 15.711  1.000 17.345 0 107 THR A C   1 ? 
ATOM   796  O  O   . THR A 1 107 ? -17.345 -32.779 16.005  1.000 18.497 0 107 THR A O   1 ? 
ATOM   797  C  CB  . THR A 1 107 ? -16.102 -34.997 14.082  1.000 16.583 0 107 THR A CB  1 ? 
ATOM   798  O  OG1 . THR A 1 107 ? -15.332 -35.722 15.013  1.000 19.624 0 107 THR A OG1 1 ? 
ATOM   799  C  CG2 . THR A 1 107 ? -15.595 -35.507 12.756  1.000 17.225 0 107 THR A CG2 1 ? 
ATOM   800  N  N   . SER A 1 108 ? -15.171 -32.923 16.570  1.000 15.942 0 108 SER A N   1 ? 
ATOM   801  C  CA  . SER A 1 108 ? -15.332 -32.305 17.866  1.000 17.254 0 108 SER A CA  1 ? 
ATOM   802  C  C   . SER A 1 108 ? -14.103 -31.467 18.206  1.000 15.219 0 108 SER A C   1 ? 
ATOM   803  O  O   . SER A 1 108 ? -13.021 -31.602 17.618  1.000 12.640 0 108 SER A O   1 ? 
ATOM   804  C  CB  . SER A 1 108 ? -15.572 -33.319 18.937  1.000 20.437 0 108 SER A CB  1 ? 
ATOM   805  O  OG  . SER A 1 108 ? -14.339 -33.838 19.404  1.000 24.016 0 108 SER A OG  1 ? 
ATOM   806  N  N   . CYS A 1 109 ? -14.293 -30.603 19.189  1.000 14.384 0 109 CYS A N   1 ? 
ATOM   807  C  CA  . CYS A 1 109 ? -13.238 -29.679 19.573  1.000 12.671 0 109 CYS A CA  1 ? 
ATOM   808  C  C   . CYS A 1 109 ? -12.176 -30.438 20.335  1.000 14.620 0 109 CYS A C   1 ? 
ATOM   809  O  O   . CYS A 1 109 ? -12.456 -31.510 20.869  1.000 18.009 0 109 CYS A O   1 ? 
ATOM   810  C  CB  . CYS A 1 109 ? -13.807 -28.540 20.393  1.000 12.402 0 109 CYS A CB  1 ? 
ATOM   811  S  SG  . CYS A 1 109 ? -15.130 -27.662 19.536  1.000 11.982 0 109 CYS A SG  1 ? 
ATOM   812  N  N   . ALA A 1 110 ? -10.990 -29.849 20.393  1.000 12.493 0 110 ALA A N   1 ? 
ATOM   813  C  CA  . ALA A 1 110 ? -9.907  -30.373 21.205  1.000 13.046 0 110 ALA A CA  1 ? 
ATOM   814  C  C   . ALA A 1 110 ? -10.017 -29.735 22.586  1.000 14.059 0 110 ALA A C   1 ? 
ATOM   815  O  O   . ALA A 1 110 ? -10.768 -28.761 22.754  1.000 18.171 0 110 ALA A O   1 ? 
ATOM   816  C  CB  . ALA A 1 110 ? -8.583  -30.095 20.571  1.000 13.120 0 110 ALA A CB  1 ? 
ATOM   817  N  N   . SER A 1 111 ? -9.289  -30.311 23.544  1.000 14.157 0 111 SER A N   1 ? 
ATOM   818  C  CA  . SER A 1 111 ? -9.269  -29.866 24.930  1.000 15.503 0 111 SER A CA  1 ? 
ATOM   819  C  C   . SER A 1 111 ? -7.831  -29.573 25.362  1.000 13.891 0 111 SER A C   1 ? 
ATOM   820  O  O   . SER A 1 111 ? -6.870  -30.113 24.814  1.000 12.197 0 111 SER A O   1 ? 
ATOM   821  C  CB  . SER A 1 111 ? -9.884  -30.926 25.872  1.000 18.046 0 111 SER A CB  1 ? 
ATOM   822  O  OG  . SER A 1 111 ? -11.033 -31.529 25.304  1.000 23.288 0 111 SER A OG  1 ? 
ATOM   823  N  N   . ALA A 1 112 ? -7.710  -28.776 26.430  1.000 14.002 0 112 ALA A N   1 ? 
ATOM   824  C  CA  . ALA A 1 112 ? -6.444  -28.527 27.098  1.000 14.403 0 112 ALA A CA  1 ? 
ATOM   825  C  C   . ALA A 1 112 ? -5.689  -29.832 27.368  1.000 14.425 0 112 ALA A C   1 ? 
ATOM   826  O  O   . ALA A 1 112 ? -6.278  -30.834 27.798  1.000 14.707 0 112 ALA A O   1 ? 
ATOM   827  C  CB  . ALA A 1 112 ? -6.705  -27.787 28.380  1.000 14.542 0 112 ALA A CB  1 ? 
ATOM   828  N  N   . GLY A 1 113 ? -4.367  -29.779 27.153  1.000 13.934 0 113 GLY A N   1 ? 
ATOM   829  C  CA  . GLY A 1 113 ? -3.504  -30.921 27.392  1.000 15.597 0 113 GLY A CA  1 ? 
ATOM   830  C  C   . GLY A 1 113 ? -3.154  -31.673 26.113  1.000 16.053 0 113 GLY A C   1 ? 
ATOM   831  O  O   . GLY A 1 113 ? -2.109  -32.303 26.023  1.000 17.209 0 113 GLY A O   1 ? 
ATOM   832  N  N   . THR A 1 114 ? -4.026  -31.611 25.101  1.000 15.454 0 114 THR A N   1 ? 
ATOM   833  C  CA  . THR A 1 114 ? -3.745  -32.276 23.840  1.000 14.576 0 114 THR A CA  1 ? 
ATOM   834  C  C   . THR A 1 114 ? -2.548  -31.601 23.163  1.000 14.619 0 114 THR A C   1 ? 
ATOM   835  O  O   . THR A 1 114 ? -2.544  -30.376 23.024  1.000 13.713 0 114 THR A O   1 ? 
ATOM   836  C  CB  . THR A 1 114 ? -4.988  -32.230 22.948  1.000 14.930 0 114 THR A CB  1 ? 
ATOM   837  O  OG1 . THR A 1 114 ? -6.028  -32.924 23.635  1.000 15.526 0 114 THR A OG1 1 ? 
ATOM   838  C  CG2 . THR A 1 114 ? -4.754  -32.910 21.606  1.000 14.741 0 114 THR A CG2 1 ? 
ATOM   839  N  N   . GLN A 1 115 ? -1.574  -32.402 22.723  1.000 14.248 0 115 GLN A N   1 ? 
ATOM   840  C  CA  . GLN A 1 115 ? -0.442  -31.914 21.961  1.000 15.720 0 115 GLN A CA  1 ? 
ATOM   841  C  C   . GLN A 1 115 ? -0.834  -31.757 20.496  1.000 13.066 0 115 GLN A C   1 ? 
ATOM   842  O  O   . GLN A 1 115 ? -1.656  -32.507 19.953  1.000 14.428 0 115 GLN A O   1 ? 
ATOM   843  C  CB  . GLN A 1 115 ? 0.789   -32.813 22.007  1.000 17.989 0 115 GLN A CB  1 ? 
ATOM   844  C  CG  . GLN A 1 115 ? 1.450   -32.936 23.385  1.000 23.991 0 115 GLN A CG  1 ? 
ATOM   845  C  CD  . GLN A 1 115 ? 2.437   -31.846 23.795  1.000 27.397 0 115 GLN A CD  1 ? 
ATOM   846  O  OE1 . GLN A 1 115 ? 3.196   -31.267 23.000  1.000 31.193 0 115 GLN A OE1 1 ? 
ATOM   847  N  NE2 . GLN A 1 115 ? 2.477   -31.581 25.094  1.000 30.122 0 115 GLN A NE2 1 ? 
ATOM   848  N  N   . CYS A 1 116 ? -0.257  -30.727 19.867  1.000 10.139 0 116 CYS A N   1 ? 
ATOM   849  C  CA  . CYS A 1 116 ? -0.583  -30.379 18.497  1.000 8.132  0 116 CYS A CA  1 ? 
ATOM   850  C  C   . CYS A 1 116 ? 0.706   -29.953 17.786  1.000 7.222  0 116 CYS A C   1 ? 
ATOM   851  O  O   . CYS A 1 116 ? 1.741   -29.706 18.412  1.000 7.971  0 116 CYS A O   1 ? 
ATOM   852  C  CB  . CYS A 1 116 ? -1.544  -29.199 18.469  1.000 7.480  0 116 CYS A CB  1 ? 
ATOM   853  S  SG  . CYS A 1 116 ? -3.068  -29.437 19.437  1.000 8.193  0 116 CYS A SG  1 ? 
ATOM   854  N  N   . LEU A 1 117 ? 0.652   -30.015 16.456  1.000 6.418  0 117 LEU A N   1 ? 
ATOM   855  C  CA  . LEU A 1 117 ? 1.759   -29.610 15.603  1.000 5.218  0 117 LEU A CA  1 ? 
ATOM   856  C  C   . LEU A 1 117 ? 1.375   -28.316 14.898  1.000 4.707  0 117 LEU A C   1 ? 
ATOM   857  O  O   . LEU A 1 117 ? 0.365   -28.250 14.211  1.000 4.047  0 117 LEU A O   1 ? 
ATOM   858  C  CB  . LEU A 1 117 ? 2.004   -30.679 14.550  1.000 5.598  0 117 LEU A CB  1 ? 
ATOM   859  C  CG  . LEU A 1 117 ? 3.150   -30.422 13.580  1.000 5.572  0 117 LEU A CG  1 ? 
ATOM   860  C  CD1 . LEU A 1 117 ? 4.453   -30.615 14.332  1.000 5.852  0 117 LEU A CD1 1 ? 
ATOM   861  C  CD2 . LEU A 1 117 ? 3.098   -31.317 12.357  1.000 5.724  0 117 LEU A CD2 1 ? 
ATOM   862  N  N   . ILE A 1 118 ? 2.205   -27.306 15.087  1.000 4.245  0 118 ILE A N   1 ? 
ATOM   863  C  CA  . ILE A 1 118 ? 2.039   -25.985 14.514  1.000 4.342  0 118 ILE A CA  1 ? 
ATOM   864  C  C   . ILE A 1 118 ? 3.194   -25.811 13.551  1.000 4.198  0 118 ILE A C   1 ? 
ATOM   865  O  O   . ILE A 1 118 ? 4.301   -26.167 13.904  1.000 3.838  0 118 ILE A O   1 ? 
ATOM   866  C  CB  . ILE A 1 118 ? 2.076   -24.934 15.623  1.000 4.591  0 118 ILE A CB  1 ? 
ATOM   867  C  CG1 . ILE A 1 118 ? 1.118   -25.329 16.754  1.000 4.770  0 118 ILE A CG1 1 ? 
ATOM   868  C  CG2 . ILE A 1 118 ? 1.772   -23.551 15.036  1.000 4.957  0 118 ILE A CG2 1 ? 
ATOM   869  C  CD1 . ILE A 1 118 ? 1.043   -24.345 17.900  1.000 5.067  0 118 ILE A CD1 1 ? 
ATOM   870  N  N   . SER A 1 119 ? 2.966   -25.256 12.370  1.000 4.047  0 119 SER A N   1 ? 
ATOM   871  C  CA  . SER A 1 119 ? 3.982   -25.222 11.320  1.000 3.975  0 119 SER A CA  1 ? 
ATOM   872  C  C   . SER A 1 119 ? 3.884   -23.905 10.531  1.000 4.090  0 119 SER A C   1 ? 
ATOM   873  O  O   . SER A 1 119 ? 2.818   -23.237 10.441  1.000 3.866  0 119 SER A O   1 ? 
ATOM   874  C  CB  . SER A 1 119 ? 3.878   -26.438 10.444  1.000 4.078  0 119 SER A CB  1 ? 
ATOM   875  O  OG  . SER A 1 119 ? 2.522   -26.588 10.012  1.000 4.266  0 119 SER A OG  1 ? 
ATOM   876  N  N   . GLY A 1 120 ? 5.028   -23.477 9.986   1.000 4.086  0 120 GLY A N   1 ? 
ATOM   877  C  CA  . GLY A 1 120 ? 5.029   -22.280 9.147   1.000 4.123  0 120 GLY A CA  1 ? 
ATOM   878  C  C   . GLY A 1 120 ? 6.432   -21.754 8.821   1.000 4.104  0 120 GLY A C   1 ? 
ATOM   879  O  O   . GLY A 1 120 ? 7.458   -22.265 9.299   1.000 4.420  0 120 GLY A O   1 ? 
ATOM   880  N  N   . TRP A 1 121 ? 6.442   -20.695 7.979   1.000 4.148  0 121 TRP A N   1 ? 
ATOM   881  C  CA  . TRP A 1 121 ? 7.660   -20.055 7.495   1.000 4.301  0 121 TRP A CA  1 ? 
ATOM   882  C  C   . TRP A 1 121 ? 7.842   -18.676 8.140   1.000 4.504  0 121 TRP A C   1 ? 
ATOM   883  O  O   . TRP A 1 121 ? 8.559   -17.832 7.609   1.000 5.069  0 121 TRP A O   1 ? 
ATOM   884  C  CB  . TRP A 1 121 ? 7.621   -19.912 5.974   1.000 4.090  0 121 TRP A CB  1 ? 
ATOM   885  C  CG  . TRP A 1 121 ? 7.759   -21.204 5.203   1.000 3.709  0 121 TRP A CG  1 ? 
ATOM   886  C  CD1 . TRP A 1 121 ? 8.940   -21.814 4.848   1.000 3.666  0 121 TRP A CD1 1 ? 
ATOM   887  C  CD2 . TRP A 1 121 ? 6.720   -22.048 4.669   1.000 3.542  0 121 TRP A CD2 1 ? 
ATOM   888  N  NE1 . TRP A 1 121 ? 8.704   -22.942 4.107   1.000 3.610  0 121 TRP A NE1 1 ? 
ATOM   889  C  CE2 . TRP A 1 121 ? 7.359   -23.122 3.998   1.000 3.454  0 121 TRP A CE2 1 ? 
ATOM   890  C  CE3 . TRP A 1 121 ? 5.326   -21.990 4.632   1.000 3.599  0 121 TRP A CE3 1 ? 
ATOM   891  C  CZ2 . TRP A 1 121 ? 6.681   -24.121 3.332   1.000 3.376  0 121 TRP A CZ2 1 ? 
ATOM   892  C  CZ3 . TRP A 1 121 ? 4.643   -22.949 3.936   1.000 3.510  0 121 TRP A CZ3 1 ? 
ATOM   893  C  CH2 . TRP A 1 121 ? 5.299   -24.022 3.319   1.000 3.405  0 121 TRP A CH2 1 ? 
ATOM   894  N  N   . GLY A 1 122 ? 7.290   -18.489 9.326   1.000 4.382  0 122 GLY A N   1 ? 
ATOM   895  C  CA  . GLY A 1 122 ? 7.367   -17.220 10.021  1.000 4.693  0 122 GLY A CA  1 ? 
ATOM   896  C  C   . GLY A 1 122 ? 8.681   -17.042 10.775  1.000 5.051  0 122 GLY A C   1 ? 
ATOM   897  O  O   . GLY A 1 122 ? 9.527   -17.937 10.799  1.000 4.700  0 122 GLY A O   1 ? 
ATOM   898  N  N   . ASN A 1 123 ? 8.787   -15.857 11.368  1.000 5.792  0 123 ASN A N   1 ? 
ATOM   899  C  CA  . ASN A 1 123 ? 9.969   -15.465 12.125  1.000 6.758  0 123 ASN A CA  1 ? 
ATOM   900  C  C   . ASN A 1 123 ? 10.371  -16.541 13.135  1.000 7.174  0 123 ASN A C   1 ? 
ATOM   901  O  O   . ASN A 1 123 ? 9.505   -17.135 13.800  1.000 5.665  0 123 ASN A O   1 ? 
ATOM   902  C  CB  . ASN A 1 123 ? 9.673   -14.172 12.870  1.000 7.708  0 123 ASN A CB  1 ? 
ATOM   903  C  CG  . ASN A 1 123 ? 10.895  -13.412 13.319  1.000 8.927  0 123 ASN A CG  1 ? 
ATOM   904  O  OD1 . ASN A 1 123 ? 12.023  -13.895 13.271  1.000 8.835  0 123 ASN A OD1 1 ? 
ATOM   905  N  ND2 . ASN A 1 123 ? 10.667  -12.220 13.840  1.000 10.847 0 123 ASN A ND2 1 ? 
ATOM   906  N  N   . THR A 1 124 ? 11.691  -16.747 13.278  1.000 7.920  0 124 THR A N   1 ? 
ATOM   907  C  CA  . THR A 1 124 ? 12.246  -17.743 14.197  1.000 7.986  0 124 THR A CA  1 ? 
ATOM   908  C  C   . THR A 1 124 ? 12.878  -17.086 15.419  1.000 9.343  0 124 THR A C   1 ? 
ATOM   909  O  O   . THR A 1 124 ? 13.399  -17.808 16.272  1.000 7.769  0 124 THR A O   1 ? 
ATOM   910  C  CB  . THR A 1 124 ? 13.239  -18.707 13.525  1.000 7.320  0 124 THR A CB  1 ? 
ATOM   911  O  OG1 . THR A 1 124 ? 14.364  -17.973 13.014  1.000 7.521  0 124 THR A OG1 1 ? 
ATOM   912  C  CG2 . THR A 1 124 ? 12.582  -19.496 12.405  1.000 6.744  0 124 THR A CG2 1 ? 
ATOM   913  N  N   . LYS A 1 125 ? 12.867  -15.753 15.515  1.000 11.729 0 125 LYS A N   1 ? 
ATOM   914  C  CA  . LYS A 1 125 ? 13.440  -15.097 16.685  1.000 15.077 0 125 LYS A CA  1 ? 
ATOM   915  C  C   . LYS A 1 125 ? 12.370  -14.317 17.442  1.000 15.804 0 125 LYS A C   1 ? 
ATOM   916  O  O   . LYS A 1 125 ? 11.448  -13.754 16.847  1.000 16.652 0 125 LYS A O   1 ? 
ATOM   917  C  CB  . LYS A 1 125 ? 14.468  -14.079 16.206  1.000 19.553 0 125 LYS A CB  1 ? 
ATOM   918  C  CG  . LYS A 1 125 ? 15.487  -14.608 15.228  1.000 23.200 0 125 LYS A CG  1 ? 
ATOM   919  C  CD  . LYS A 1 125 ? 16.663  -15.374 15.813  1.000 26.580 0 125 LYS A CD  1 ? 
ATOM   920  C  CE  . LYS A 1 125 ? 17.910  -15.078 15.023  1.000 29.240 0 125 LYS A CE  1 ? 
ATOM   921  N  NZ  . LYS A 1 125 ? 19.118  -15.562 15.699  1.000 31.420 0 125 LYS A NZ  1 ? 
ATOM   922  N  N   . SER A 1 126 ? 12.534  -14.246 18.768  1.000 19.636 0 126 SER A N   1 ? 
ATOM   923  C  CA  . SER A 1 126 ? 11.597  -13.568 19.654  1.000 22.156 0 126 SER A CA  1 ? 
ATOM   924  C  C   . SER A 1 126 ? 11.996  -12.108 19.896  1.000 25.650 0 126 SER A C   1 ? 
ATOM   925  O  O   . SER A 1 126 ? 11.136  -11.267 20.200  1.000 23.795 0 126 SER A O   1 ? 
ATOM   926  C  CB  . SER A 1 126 ? 11.525  -14.326 20.949  1.000 22.842 0 126 SER A CB  1 ? 
ATOM   927  O  OG  . SER A 1 126 ? 12.828  -14.526 21.487  1.000 25.070 0 126 SER A OG  1 ? 
ATOM   928  N  N   . SER A 1 127 ? 13.314  -11.841 19.813  1.000 26.017 0 127 SER A N   1 ? 
ATOM   929  C  CA  . SER A 1 127 ? 13.890  -10.514 19.984  1.000 28.090 0 127 SER A CA  1 ? 
ATOM   930  C  C   . SER A 1 127 ? 14.874  -10.251 18.853  1.000 29.528 0 127 SER A C   1 ? 
ATOM   931  O  O   . SER A 1 127 ? 16.076  -10.077 19.069  1.000 34.362 0 127 SER A O   1 ? 
ATOM   932  C  CB  . SER A 1 127 ? 14.584  -10.368 21.318  1.000 28.839 0 127 SER A CB  1 ? 
ATOM   933  O  OG  . SER A 1 127 ? 13.644  -10.305 22.382  1.000 30.461 0 127 SER A OG  1 ? 
ATOM   934  N  N   . GLY A 1 128 ? 14.330  -10.198 17.649  1.000 25.648 0 128 GLY A N   1 ? 
ATOM   935  C  CA  . GLY A 1 128 ? 15.130  -10.264 16.444  1.000 25.308 0 128 GLY A CA  1 ? 
ATOM   936  C  C   . GLY A 1 128 ? 14.227  -10.652 15.285  1.000 25.061 0 128 GLY A C   1 ? 
ATOM   937  O  O   . GLY A 1 128 ? 13.008  -10.766 15.480  1.000 24.304 0 128 GLY A O   1 ? 
ATOM   938  N  N   . THR A 1 129 ? 14.844  -10.806 14.105  1.000 22.889 0 129 THR A N   1 ? 
ATOM   939  C  CA  . THR A 1 129 ? 14.127  -11.131 12.887  1.000 21.587 0 129 THR A CA  1 ? 
ATOM   940  C  C   . THR A 1 129 ? 15.002  -12.043 12.046  1.000 18.423 0 129 THR A C   1 ? 
ATOM   941  O  O   . THR A 1 129 ? 16.083  -11.662 11.623  1.000 19.152 0 129 THR A O   1 ? 
ATOM   942  C  CB  . THR A 1 129 ? 13.724  -9.866  12.136  1.000 25.530 0 129 THR A CB  1 ? 
ATOM   943  O  OG1 . THR A 1 129 ? 12.641  -9.356  12.905  1.000 26.128 0 129 THR A OG1 1 ? 
ATOM   944  C  CG2 . THR A 1 129 ? 13.173  -10.147 10.755  1.000 25.611 0 129 THR A CG2 1 ? 
ATOM   945  N  N   . SER A 1 130 ? 14.499  -13.259 11.824  1.000 14.927 0 130 SER A N   1 ? 
ATOM   946  C  CA  . SER A 1 130 ? 15.104  -14.171 10.881  1.000 12.933 0 130 SER A CA  1 ? 
ATOM   947  C  C   . SER A 1 130 ? 13.999  -15.044 10.295  1.000 12.522 0 130 SER A C   1 ? 
ATOM   948  O  O   . SER A 1 130 ? 13.344  -15.770 11.034  1.000 11.768 0 130 SER A O   1 ? 
ATOM   949  C  CB  . SER A 1 130 ? 16.158  -15.030 11.491  1.000 13.787 0 130 SER A CB  1 ? 
ATOM   950  O  OG  . SER A 1 130 ? 16.774  -15.830 10.489  1.000 13.750 0 130 SER A OG  1 ? 
ATOM   951  N  N   . TYR A 1 131 ? 13.838  -14.979 8.973   1.000 10.985 0 131 TYR A N   1 ? 
ATOM   952  C  CA  . TYR A 1 131 ? 12.820  -15.757 8.285   1.000 10.194 0 131 TYR A CA  1 ? 
ATOM   953  C  C   . TYR A 1 131 ? 13.496  -16.974 7.653   1.000 9.508  0 131 TYR A C   1 ? 
ATOM   954  O  O   . TYR A 1 131 ? 14.410  -16.840 6.838   1.000 9.627  0 131 TYR A O   1 ? 
ATOM   955  C  CB  . TYR A 1 131 ? 12.042  -14.902 7.281   1.000 11.034 0 131 TYR A CB  1 ? 
ATOM   956  C  CG  . TYR A 1 131 ? 11.081  -13.976 8.015   1.000 11.451 0 131 TYR A CG  1 ? 
ATOM   957  C  CD1 . TYR A 1 131 ? 11.512  -12.760 8.510   1.000 12.035 0 131 TYR A CD1 1 ? 
ATOM   958  C  CD2 . TYR A 1 131 ? 9.747   -14.322 8.231   1.000 12.882 0 131 TYR A CD2 1 ? 
ATOM   959  C  CE1 . TYR A 1 131 ? 10.660  -11.911 9.197   1.000 13.246 0 131 TYR A CE1 1 ? 
ATOM   960  C  CE2 . TYR A 1 131 ? 8.891   -13.490 8.930   1.000 13.467 0 131 TYR A CE2 1 ? 
ATOM   961  C  CZ  . TYR A 1 131 ? 9.355   -12.280 9.418   1.000 13.467 0 131 TYR A CZ  1 ? 
ATOM   962  O  OH  . TYR A 1 131 ? 8.524   -11.419 10.087  1.000 15.783 0 131 TYR A OH  1 ? 
ATOM   963  N  N   . PRO A 1 132 ? 12.986  -18.190 7.931   1.000 8.619  0 132 PRO A N   1 ? 
ATOM   964  C  CA  . PRO A 1 132 ? 13.533  -19.416 7.374   1.000 7.636  0 132 PRO A CA  1 ? 
ATOM   965  C  C   . PRO A 1 132 ? 13.061  -19.593 5.932   1.000 7.657  0 132 PRO A C   1 ? 
ATOM   966  O  O   . PRO A 1 132 ? 12.046  -19.032 5.491   1.000 8.585  0 132 PRO A O   1 ? 
ATOM   967  C  CB  . PRO A 1 132 ? 12.940  -20.498 8.296   1.000 7.750  0 132 PRO A CB  1 ? 
ATOM   968  C  CG  . PRO A 1 132 ? 11.550  -19.954 8.616   1.000 8.049  0 132 PRO A CG  1 ? 
ATOM   969  C  CD  . PRO A 1 132 ? 11.750  -18.426 8.705   1.000 8.219  0 132 PRO A CD  1 ? 
ATOM   970  N  N   . ASP A 1 133 ? 13.826  -20.368 5.197   1.000 7.531  0 133 ASP A N   1 ? 
ATOM   971  C  CA  . ASP A 1 133 ? 13.458  -20.781 3.867   1.000 7.817  0 133 ASP A CA  1 ? 
ATOM   972  C  C   . ASP A 1 133 ? 12.677  -22.093 3.894   1.000 6.668  0 133 ASP A C   1 ? 
ATOM   973  O  O   . ASP A 1 133 ? 11.795  -22.266 3.054   1.000 6.105  0 133 ASP A O   1 ? 
ATOM   974  C  CB  . ASP A 1 133 ? 14.677  -20.805 2.958   1.000 8.773  0 133 ASP A CB  1 ? 
ATOM   975  C  CG  . ASP A 1 133 ? 15.376  -19.453 2.838   1.000 10.832 0 133 ASP A CG  1 ? 
ATOM   976  O  OD1 . ASP A 1 133 ? 14.700  -18.472 2.500   1.000 12.728 0 133 ASP A OD1 1 ? 
ATOM   977  O  OD2 . ASP A 1 133 ? 16.595  -19.355 3.140   1.000 14.131 0 133 ASP A OD2 1 ? 
ATOM   978  N  N   . VAL A 1 134 ? 12.993  -23.013 4.823   1.000 5.643  0 134 VAL A N   1 ? 
ATOM   979  C  CA  . VAL A 1 134 ? 12.300  -24.297 4.887   1.000 5.136  0 134 VAL A CA  1 ? 
ATOM   980  C  C   . VAL A 1 134 ? 11.250  -24.275 6.009   1.000 4.548  0 134 VAL A C   1 ? 
ATOM   981  O  O   . VAL A 1 134 ? 11.288  -23.428 6.896   1.000 4.348  0 134 VAL A O   1 ? 
ATOM   982  C  CB  . VAL A 1 134 ? 13.279  -25.450 5.081   1.000 5.186  0 134 VAL A CB  1 ? 
ATOM   983  C  CG1 . VAL A 1 134 ? 14.257  -25.527 3.885   1.000 5.322  0 134 VAL A CG1 1 ? 
ATOM   984  C  CG2 . VAL A 1 134 ? 13.955  -25.361 6.439   1.000 5.117  0 134 VAL A CG2 1 ? 
ATOM   985  N  N   . LEU A 1 135 ? 10.291  -25.211 5.970   1.000 4.635  0 135 LEU A N   1 ? 
ATOM   986  C  CA  . LEU A 1 135 ? 9.166   -25.217 6.897   1.000 4.508  0 135 LEU A CA  1 ? 
ATOM   987  C  C   . LEU A 1 135 ? 9.644   -25.610 8.294   1.000 4.766  0 135 LEU A C   1 ? 
ATOM   988  O  O   . LEU A 1 135 ? 10.422  -26.563 8.477   1.000 4.565  0 135 LEU A O   1 ? 
ATOM   989  C  CB  . LEU A 1 135 ? 8.089   -26.162 6.373   1.000 4.422  0 135 LEU A CB  1 ? 
ATOM   990  C  CG  . LEU A 1 135 ? 6.786   -26.205 7.161   1.000 4.222  0 135 LEU A CG  1 ? 
ATOM   991  C  CD1 . LEU A 1 135 ? 6.073   -24.871 7.006   1.000 4.240  0 135 LEU A CD1 1 ? 
ATOM   992  C  CD2 . LEU A 1 135 ? 5.919   -27.354 6.583   1.000 4.476  0 135 LEU A CD2 1 ? 
ATOM   993  N  N   . LYS A 1 136 ? 9.226   -24.822 9.278   1.000 5.114  0 136 LYS A N   1 ? 
ATOM   994  C  CA  . LYS A 1 136 ? 9.522   -25.112 10.668  1.000 5.321  0 136 LYS A CA  1 ? 
ATOM   995  C  C   . LYS A 1 136 ? 8.274   -25.622 11.379  1.000 5.249  0 136 LYS A C   1 ? 
ATOM   996  O  O   . LYS A 1 136 ? 7.142   -25.318 10.981  1.000 4.755  0 136 LYS A O   1 ? 
ATOM   997  C  CB  . LYS A 1 136 ? 10.094  -23.895 11.399  1.000 5.964  0 136 LYS A CB  1 ? 
ATOM   998  C  CG  . LYS A 1 136 ? 11.339  -23.325 10.740  1.000 6.749  0 136 LYS A CG  1 ? 
ATOM   999  C  CD  . LYS A 1 136 ? 12.522  -24.138 11.232  1.000 7.794  0 136 LYS A CD  1 ? 
ATOM   1000 C  CE  . LYS A 1 136 ? 13.853  -23.782 10.646  1.000 9.428  0 136 LYS A CE  1 ? 
ATOM   1001 N  NZ  . LYS A 1 136 ? 14.827  -24.530 11.472  1.000 10.748 0 136 LYS A NZ  1 ? 
ATOM   1002 N  N   . CYS A 1 137 ? 8.517   -26.375 12.466  1.000 4.852  0 137 CYS A N   1 ? 
ATOM   1003 C  CA  . CYS A 1 137 ? 7.495   -27.107 13.183  1.000 4.859  0 137 CYS A CA  1 ? 
ATOM   1004 C  C   . CYS A 1 137 ? 7.723   -26.894 14.675  1.000 4.606  0 137 CYS A C   1 ? 
ATOM   1005 O  O   . CYS A 1 137 ? 8.850   -26.705 15.151  1.000 5.123  0 137 CYS A O   1 ? 
ATOM   1006 C  CB  . CYS A 1 137 ? 7.580   -28.614 12.899  1.000 4.739  0 137 CYS A CB  1 ? 
ATOM   1007 S  SG  . CYS A 1 137 ? 6.764   -29.196 11.382  1.000 4.826  0 137 CYS A SG  1 ? 
ATOM   1008 N  N   . LEU A 1 138 ? 6.626   -26.983 15.419  1.000 4.512  0 138 LEU A N   1 ? 
ATOM   1009 C  CA  . LEU A 1 138 ? 6.606   -26.915 16.861  1.000 4.390  0 138 LEU A CA  1 ? 
ATOM   1010 C  C   . LEU A 1 138 ? 5.473   -27.797 17.391  1.000 4.698  0 138 LEU A C   1 ? 
ATOM   1011 O  O   . LEU A 1 138 ? 4.351   -27.747 16.902  1.000 4.803  0 138 LEU A O   1 ? 
ATOM   1012 C  CB  . LEU A 1 138 ? 6.400   -25.456 17.283  1.000 4.184  0 138 LEU A CB  1 ? 
ATOM   1013 C  CG  . LEU A 1 138 ? 6.231   -25.245 18.795  1.000 4.207  0 138 LEU A CG  1 ? 
ATOM   1014 C  CD1 . LEU A 1 138 ? 7.575   -25.632 19.461  1.000 4.218  0 138 LEU A CD1 1 ? 
ATOM   1015 C  CD2 . LEU A 1 138 ? 5.779   -23.848 19.154  1.000 4.321  0 138 LEU A CD2 1 ? 
ATOM   1016 N  N   . LYS A 1 139 ? 5.816   -28.701 18.318  1.000 5.025  0 139 LYS A N   1 ? 
ATOM   1017 C  CA  . LYS A 1 139 ? 4.868   -29.470 19.078  1.000 5.511  0 139 LYS A CA  1 ? 
ATOM   1018 C  C   . LYS A 1 139 ? 4.484   -28.638 20.297  1.000 5.968  0 139 LYS A C   1 ? 
ATOM   1019 O  O   . LYS A 1 139 ? 5.355   -28.186 21.041  1.000 6.726  0 139 LYS A O   1 ? 
ATOM   1020 C  CB  . LYS A 1 139 ? 5.420   -30.856 19.430  1.000 5.740  0 139 LYS A CB  1 ? 
ATOM   1021 C  CG  . LYS A 1 139 ? 5.628   -31.669 18.182  1.000 5.698  0 139 LYS A CG  1 ? 
ATOM   1022 C  CD  . LYS A 1 139 ? 6.072   -33.092 18.479  1.000 5.858  0 139 LYS A CD  1 ? 
ATOM   1023 C  CE  . LYS A 1 139 ? 6.020   -33.934 17.233  1.000 6.314  0 139 LYS A CE  1 ? 
ATOM   1024 N  NZ  . LYS A 1 139 ? 6.338   -35.322 17.605  1.000 6.842  0 139 LYS A NZ  1 ? 
ATOM   1025 N  N   . ALA A 1 140 ? 3.187   -28.394 20.477  1.000 6.411  0 140 ALA A N   1 ? 
ATOM   1026 C  CA  . ALA A 1 140 ? 2.754   -27.591 21.615  1.000 6.575  0 140 ALA A CA  1 ? 
ATOM   1027 C  C   . ALA A 1 140 ? 1.390   -28.051 22.111  1.000 6.538  0 140 ALA A C   1 ? 
ATOM   1028 O  O   . ALA A 1 140 ? 0.595   -28.484 21.314  1.000 6.479  0 140 ALA A O   1 ? 
ATOM   1029 C  CB  . ALA A 1 140 ? 2.694   -26.118 21.234  1.000 7.146  0 140 ALA A CB  1 ? 
ATOM   1030 N  N   . PRO A 1 141 ? 1.113   -27.946 23.429  1.000 6.216  0 141 PRO A N   1 ? 
ATOM   1031 C  CA  . PRO A 1 141 ? -0.190  -28.278 23.990  1.000 6.531  0 141 PRO A CA  1 ? 
ATOM   1032 C  C   . PRO A 1 141 ? -1.206  -27.149 23.931  1.000 6.711  0 141 PRO A C   1 ? 
ATOM   1033 O  O   . PRO A 1 141 ? -0.876  -25.979 24.080  1.000 6.171  0 141 PRO A O   1 ? 
ATOM   1034 C  CB  . PRO A 1 141 ? 0.195   -28.611 25.455  1.000 6.504  0 141 PRO A CB  1 ? 
ATOM   1035 C  CG  . PRO A 1 141 ? 1.311   -27.701 25.757  1.000 6.424  0 141 PRO A CG  1 ? 
ATOM   1036 C  CD  . PRO A 1 141 ? 2.113   -27.614 24.469  1.000 6.276  0 141 PRO A CD  1 ? 
ATOM   1037 N  N   . ILE A 1 142 ? -2.462  -27.532 23.897  1.000 6.783  0 142 ILE A N   1 ? 
ATOM   1038 C  CA  . ILE A 1 142 ? -3.526  -26.580 24.111  1.000 6.927  0 142 ILE A CA  1 ? 
ATOM   1039 C  C   . ILE A 1 142 ? -3.541  -26.227 25.585  1.000 7.291  0 142 ILE A C   1 ? 
ATOM   1040 O  O   . ILE A 1 142 ? -3.342  -27.096 26.433  1.000 7.396  0 142 ILE A O   1 ? 
ATOM   1041 C  CB  . ILE A 1 142 ? -4.840  -27.189 23.625  1.000 7.348  0 142 ILE A CB  1 ? 
ATOM   1042 C  CG1 . ILE A 1 142 ? -4.752  -27.347 22.113  1.000 8.192  0 142 ILE A CG1 1 ? 
ATOM   1043 C  CG2 . ILE A 1 142 ? -6.070  -26.390 24.043  1.000 7.914  0 142 ILE A CG2 1 ? 
ATOM   1044 C  CD1 . ILE A 1 142 ? -5.917  -28.115 21.546  1.000 8.537  0 142 ILE A CD1 1 ? 
ATOM   1045 N  N   . LEU A 1 143 ? -3.709  -24.939 25.870  1.000 7.347  0 143 LEU A N   1 ? 
ATOM   1046 C  CA  . LEU A 1 143 ? -3.786  -24.447 27.231  1.000 7.953  0 143 LEU A CA  1 ? 
ATOM   1047 C  C   . LEU A 1 143 ? -5.243  -24.289 27.651  1.000 8.189  0 143 LEU A C   1 ? 
ATOM   1048 O  O   . LEU A 1 143 ? -6.133  -24.142 26.810  1.000 7.626  0 143 LEU A O   1 ? 
ATOM   1049 C  CB  . LEU A 1 143 ? -3.018  -23.123 27.293  1.000 8.455  0 143 LEU A CB  1 ? 
ATOM   1050 C  CG  . LEU A 1 143 ? -1.522  -23.197 26.963  1.000 9.170  0 143 LEU A CG  1 ? 
ATOM   1051 C  CD1 . LEU A 1 143 ? -0.868  -21.812 26.918  1.000 10.055 0 143 LEU A CD1 1 ? 
ATOM   1052 C  CD2 . LEU A 1 143 ? -0.791  -24.044 27.963  1.000 10.757 0 143 LEU A CD2 1 ? 
ATOM   1053 N  N   . SER A 1 144 ? -5.458  -24.315 28.969  1.000 8.001  0 144 SER A N   1 ? 
ATOM   1054 C  CA  . SER A 1 144 ? -6.785  -24.142 29.511  1.000 9.024  0 144 SER A CA  1 ? 
ATOM   1055 C  C   . SER A 1 144 ? -7.345  -22.784 29.092  1.000 8.761  0 144 SER A C   1 ? 
ATOM   1056 O  O   . SER A 1 144 ? -6.611  -21.781 29.008  1.000 8.385  0 144 SER A O   1 ? 
ATOM   1057 C  CB  . SER A 1 144 ? -6.800  -24.312 31.010  1.000 9.396  0 144 SER A CB  1 ? 
ATOM   1058 O  OG  . SER A 1 144 ? -6.083  -23.278 31.671  1.000 9.784  0 144 SER A OG  1 ? 
ATOM   1059 N  N   . ASP A 1 145 ? -8.678  -22.739 28.918  1.000 10.190 0 145 ASP A N   1 ? 
ATOM   1060 C  CA  . ASP A 1 145 ? -9.384  -21.484 28.738  1.000 11.457 0 145 ASP A CA  1 ? 
ATOM   1061 C  C   . ASP A 1 145 ? -9.041  -20.503 29.860  1.000 11.884 0 145 ASP A C   1 ? 
ATOM   1062 O  O   . ASP A 1 145 ? -8.799  -19.335 29.595  1.000 11.163 0 145 ASP A O   1 ? 
ATOM   1063 C  CB  . ASP A 1 145 ? -10.890 -21.712 28.646  1.000 12.785 0 145 ASP A CB  1 ? 
ATOM   1064 C  CG  . ASP A 1 145 ? -11.709 -20.482 28.280  1.000 16.298 0 145 ASP A CG  1 ? 
ATOM   1065 O  OD1 . ASP A 1 145 ? -11.380 -19.827 27.238  1.000 16.907 0 145 ASP A OD1 1 ? 
ATOM   1066 O  OD2 . ASP A 1 145 ? -12.692 -20.193 29.018  1.000 18.195 0 145 ASP A OD2 1 ? 
ATOM   1067 N  N   . SER A 1 146 ? -8.974  -20.953 31.118  1.000 12.357 0 146 SER A N   1 ? 
ATOM   1068 C  CA  . SER A 1 146 ? -8.704  -20.015 32.204  1.000 14.417 0 146 SER A CA  1 ? 
ATOM   1069 C  C   . SER A 1 146 ? -7.282  -19.454 32.142  1.000 12.262 0 146 SER A C   1 ? 
ATOM   1070 O  O   . SER A 1 146 ? -7.069  -18.249 32.352  1.000 12.156 0 146 SER A O   1 ? 
ATOM   1071 C  CB  . SER A 1 146 ? -9.008  -20.573 33.569  1.000 17.216 0 146 SER A CB  1 ? 
ATOM   1072 O  OG  . SER A 1 146 ? -8.139  -21.640 33.891  1.000 19.426 0 146 SER A OG  1 ? 
ATOM   1073 N  N   . SER A 1 147 ? -6.285  -20.273 31.789  1.000 10.888 0 147 SER A N   1 ? 
ATOM   1074 C  CA  . SER A 1 147 ? -4.951  -19.698 31.690  1.000 11.404 0 147 SER A CA  1 ? 
ATOM   1075 C  C   . SER A 1 147 ? -4.868  -18.780 30.475  1.000 10.261 0 147 SER A C   1 ? 
ATOM   1076 O  O   . SER A 1 147 ? -4.207  -17.749 30.523  1.000 9.948  0 147 SER A O   1 ? 
ATOM   1077 C  CB  . SER A 1 147 ? -3.848  -20.719 31.679  1.000 13.099 0 147 SER A CB  1 ? 
ATOM   1078 O  OG  . SER A 1 147 ? -3.881  -21.475 30.495  1.000 15.244 0 147 SER A OG  1 ? 
ATOM   1079 N  N   . CYS A 1 148 ? -5.630  -19.119 29.420  1.000 9.026  0 148 CYS A N   1 ? 
ATOM   1080 C  CA  . CYS A 1 148 ? -5.646  -18.289 28.224  1.000 8.546  0 148 CYS A CA  1 ? 
ATOM   1081 C  C   . CYS A 1 148 ? -6.202  -16.902 28.563  1.000 8.652  0 148 CYS A C   1 ? 
ATOM   1082 O  O   . CYS A 1 148 ? -5.594  -15.892 28.225  1.000 7.521  0 148 CYS A O   1 ? 
ATOM   1083 C  CB  . CYS A 1 148 ? -6.451  -18.986 27.122  1.000 7.546  0 148 CYS A CB  1 ? 
ATOM   1084 S  SG  . CYS A 1 148 ? -6.287  -18.221 25.500  1.000 7.177  0 148 CYS A SG  1 ? 
ATOM   1085 N  N   . LYS A 1 149 ? -7.352  -16.861 29.247  1.000 9.885  0 149 LYS A N   1 ? 
ATOM   1086 C  CA  . LYS A 1 149 ? -7.984  -15.605 29.645  1.000 10.994 0 149 LYS A CA  1 ? 
ATOM   1087 C  C   . LYS A 1 149 ? -7.130  -14.843 30.655  1.000 11.040 0 149 LYS A C   1 ? 
ATOM   1088 O  O   . LYS A 1 149 ? -7.082  -13.609 30.623  1.000 11.296 0 149 LYS A O   1 ? 
ATOM   1089 C  CB  . LYS A 1 149 ? -9.403  -15.900 30.142  1.000 12.402 0 149 LYS A CB  1 ? 
ATOM   1090 C  CG  . LYS A 1 149 ? -10.330 -16.259 29.027  1.000 14.264 0 149 LYS A CG  1 ? 
ATOM   1091 C  CD  . LYS A 1 149 ? -11.686 -16.694 29.534  1.000 16.575 0 149 LYS A CD  1 ? 
ATOM   1092 C  CE  . LYS A 1 149 ? -12.563 -16.713 28.331  1.000 19.797 0 149 LYS A CE  1 ? 
ATOM   1093 N  NZ  . LYS A 1 149 ? -13.888 -17.172 28.726  1.000 21.335 0 149 LYS A NZ  1 ? 
ATOM   1094 N  N   . SER A 1 150 ? -6.440  -15.560 31.538  1.000 10.698 0 150 SER A N   1 ? 
ATOM   1095 C  CA  . SER A 1 150 ? -5.543  -14.903 32.480  1.000 11.165 0 150 SER A CA  1 ? 
ATOM   1096 C  C   . SER A 1 150 ? -4.374  -14.202 31.794  1.000 9.301  0 150 SER A C   1 ? 
ATOM   1097 O  O   . SER A 1 150 ? -3.930  -13.169 32.282  1.000 9.687  0 150 SER A O   1 ? 
ATOM   1098 C  CB  . SER A 1 150 ? -4.989  -15.844 33.487  1.000 12.512 0 150 SER A CB  1 ? 
ATOM   1099 O  OG  . SER A 1 150 ? -5.988  -16.220 34.412  1.000 16.519 0 150 SER A OG  1 ? 
ATOM   1100 N  N   . ALA A 1 151 ? -3.847  -14.806 30.719  1.000 7.907  0 151 ALA A N   1 ? 
ATOM   1101 C  CA  . ALA A 1 151 ? -2.754  -14.221 29.959  1.000 7.918  0 151 ALA A CA  1 ? 
ATOM   1102 C  C   . ALA A 1 151 ? -3.208  -12.972 29.213  1.000 7.775  0 151 ALA A C   1 ? 
ATOM   1103 O  O   . ALA A 1 151 ? -2.418  -12.054 29.005  1.000 7.726  0 151 ALA A O   1 ? 
ATOM   1104 C  CB  . ALA A 1 151 ? -2.205  -15.250 29.001  1.000 8.726  0 151 ALA A CB  1 ? 
ATOM   1105 N  N   . TYR A 1 152 ? -4.449  -13.001 28.717  1.000 7.511  0 152 TYR A N   1 ? 
ATOM   1106 C  CA  . TYR A 1 152 ? -4.966  -11.974 27.840  1.000 8.016  0 152 TYR A CA  1 ? 
ATOM   1107 C  C   . TYR A 1 152 ? -6.334  -11.510 28.329  1.000 8.701  0 152 TYR A C   1 ? 
ATOM   1108 O  O   . TYR A 1 152 ? -7.382  -11.762 27.709  1.000 8.859  0 152 TYR A O   1 ? 
ATOM   1109 C  CB  . TYR A 1 152 ? -5.081  -12.470 26.399  1.000 7.361  0 152 TYR A CB  1 ? 
ATOM   1110 C  CG  . TYR A 1 152 ? -3.758  -12.799 25.731  1.000 6.818  0 152 TYR A CG  1 ? 
ATOM   1111 C  CD1 . TYR A 1 152 ? -2.946  -11.791 25.261  1.000 6.725  0 152 TYR A CD1 1 ? 
ATOM   1112 C  CD2 . TYR A 1 152 ? -3.356  -14.114 25.487  1.000 6.463  0 152 TYR A CD2 1 ? 
ATOM   1113 C  CE1 . TYR A 1 152 ? -1.747  -12.062 24.632  1.000 6.919  0 152 TYR A CE1 1 ? 
ATOM   1114 C  CE2 . TYR A 1 152 ? -2.152  -14.401 24.860  1.000 6.268  0 152 TYR A CE2 1 ? 
ATOM   1115 C  CZ  . TYR A 1 152 ? -1.354  -13.376 24.409  1.000 6.719  0 152 TYR A CZ  1 ? 
ATOM   1116 O  OH  . TYR A 1 152 ? -0.195  -13.682 23.756  1.000 6.768  0 152 TYR A OH  1 ? 
ATOM   1117 N  N   . PRO A 1 153 ? -6.385  -10.823 29.486  1.000 9.989  0 153 PRO A N   1 ? 
ATOM   1118 C  CA  . PRO A 1 153 ? -7.675  -10.416 30.054  1.000 11.192 0 153 PRO A CA  1 ? 
ATOM   1119 C  C   . PRO A 1 153 ? -8.516  -9.598  29.082  1.000 9.916  0 153 PRO A C   1 ? 
ATOM   1120 O  O   . PRO A 1 153 ? -8.000  -8.721  28.424  1.000 9.124  0 153 PRO A O   1 ? 
ATOM   1121 C  CB  . PRO A 1 153 ? -7.272  -9.558  31.295  1.000 12.074 0 153 PRO A CB  1 ? 
ATOM   1122 C  CG  . PRO A 1 153 ? -5.780  -9.761  31.514  1.000 12.290 0 153 PRO A CG  1 ? 
ATOM   1123 C  CD  . PRO A 1 153 ? -5.209  -10.383 30.259  1.000 11.682 0 153 PRO A CD  1 ? 
ATOM   1124 N  N   . GLY A 1 154 ? -9.791  -9.981  28.947  1.000 9.212  0 154 GLY A N   1 ? 
ATOM   1125 C  CA  . GLY A 1 154 ? -10.771 -9.236  28.184  1.000 10.627 0 154 GLY A CA  1 ? 
ATOM   1126 C  C   . GLY A 1 154 ? -10.639 -9.426  26.671  1.000 10.552 0 154 GLY A C   1 ? 
ATOM   1127 O  O   . GLY A 1 154 ? -11.286 -8.696  25.926  1.000 12.747 0 154 GLY A O   1 ? 
ATOM   1128 N  N   . GLN A 1 155 ? -9.813  -10.382 26.199  1.000 8.980  0 155 GLN A N   1 ? 
ATOM   1129 C  CA  . GLN A 1 155 ? -9.517  -10.452 24.771  1.000 8.117  0 155 GLN A CA  1 ? 
ATOM   1130 C  C   . GLN A 1 155 ? -9.846  -11.809 24.165  1.000 7.494  0 155 GLN A C   1 ? 
ATOM   1131 O  O   . GLN A 1 155 ? -9.808  -11.913 22.932  1.000 7.947  0 155 GLN A O   1 ? 
ATOM   1132 C  CB  . GLN A 1 155 ? -8.037  -10.201 24.487  1.000 8.617  0 155 GLN A CB  1 ? 
ATOM   1133 C  CG  . GLN A 1 155 ? -7.573  -8.827  24.961  1.000 9.704  0 155 GLN A CG  1 ? 
ATOM   1134 C  CD  . GLN A 1 155 ? -6.088  -8.750  25.259  1.000 10.629 0 155 GLN A CD  1 ? 
ATOM   1135 O  OE1 . GLN A 1 155 ? -5.277  -8.738  24.339  1.000 12.548 0 155 GLN A OE1 1 ? 
ATOM   1136 N  NE2 . GLN A 1 155 ? -5.710  -8.712  26.543  1.000 11.840 0 155 GLN A NE2 1 ? 
ATOM   1137 N  N   . ILE A 1 156 ? -10.021 -12.845 25.003  1.000 6.400  0 156 ILE A N   1 ? 
ATOM   1138 C  CA  . ILE A 1 156 ? -10.212 -14.198 24.484  1.000 6.275  0 156 ILE A CA  1 ? 
ATOM   1139 C  C   . ILE A 1 156 ? -11.711 -14.465 24.337  1.000 6.310  0 156 ILE A C   1 ? 
ATOM   1140 O  O   . ILE A 1 156 ? -12.457 -14.496 25.327  1.000 7.230  0 156 ILE A O   1 ? 
ATOM   1141 C  CB  . ILE A 1 156 ? -9.490  -15.219 25.383  1.000 6.428  0 156 ILE A CB  1 ? 
ATOM   1142 C  CG1 . ILE A 1 156 ? -8.001  -14.967 25.531  1.000 6.109  0 156 ILE A CG1 1 ? 
ATOM   1143 C  CG2 . ILE A 1 156 ? -9.788  -16.629 24.882  1.000 6.376  0 156 ILE A CG2 1 ? 
ATOM   1144 C  CD1 . ILE A 1 156 ? -7.223  -14.955 24.227  1.000 5.637  0 156 ILE A CD1 1 ? 
ATOM   1145 N  N   . THR A 1 157 ? -12.164 -14.744 23.106  1.000 5.754  0 157 THR A N   1 ? 
ATOM   1146 C  CA  . THR A 1 157 ? -13.558 -15.108 22.867  1.000 5.937  0 157 THR A CA  1 ? 
ATOM   1147 C  C   . THR A 1 157 ? -13.677 -16.635 22.797  1.000 6.140  0 157 THR A C   1 ? 
ATOM   1148 O  O   . THR A 1 157 ? -12.695 -17.389 22.820  1.000 6.159  0 157 THR A O   1 ? 
ATOM   1149 C  CB  . THR A 1 157 ? -14.038 -14.461 21.563  1.000 5.724  0 157 THR A CB  1 ? 
ATOM   1150 O  OG1 . THR A 1 157 ? -13.406 -15.195 20.516  1.000 5.490  0 157 THR A OG1 1 ? 
ATOM   1151 C  CG2 . THR A 1 157 ? -13.668 -12.996 21.387  1.000 5.743  0 157 THR A CG2 1 ? 
ATOM   1152 N  N   . SER A 1 158 ? -14.921 -17.095 22.666  1.000 6.780  0 158 SER A N   1 ? 
ATOM   1153 C  CA  . SER A 1 158 ? -15.235 -18.498 22.497  1.000 7.823  0 158 SER A CA  1 ? 
ATOM   1154 C  C   . SER A 1 158 ? -14.764 -19.065 21.161  1.000 6.613  0 158 SER A C   1 ? 
ATOM   1155 O  O   . SER A 1 158 ? -14.827 -20.292 20.986  1.000 6.857  0 158 SER A O   1 ? 
ATOM   1156 C  CB  . SER A 1 158 ? -16.719 -18.653 22.645  1.000 9.229  0 158 SER A CB  1 ? 
ATOM   1157 O  OG  . SER A 1 158 ? -17.340 -17.969 21.572  1.000 12.324 0 158 SER A OG  1 ? 
ATOM   1158 N  N   . ASN A 1 159 ? -14.202 -18.195 20.289  1.000 5.790  0 159 ASN A N   1 ? 
ATOM   1159 C  CA  . ASN A 1 159 ? -13.702 -18.641 18.991  1.000 5.303  0 159 ASN A CA  1 ? 
ATOM   1160 C  C   . ASN A 1 159 ? -12.186 -18.610 18.976  1.000 5.102  0 159 ASN A C   1 ? 
ATOM   1161 O  O   . ASN A 1 159 ? -11.605 -18.719 17.906  1.000 4.479  0 159 ASN A O   1 ? 
ATOM   1162 C  CB  . ASN A 1 159 ? -14.206 -17.786 17.845  1.000 5.656  0 159 ASN A CB  1 ? 
ATOM   1163 C  CG  . ASN A 1 159 ? -15.709 -17.728 17.846  1.000 5.527  0 159 ASN A CG  1 ? 
ATOM   1164 O  OD1 . ASN A 1 159 ? -16.363 -18.790 17.797  1.000 6.353  0 159 ASN A OD1 1 ? 
ATOM   1165 N  ND2 . ASN A 1 159 ? -16.297 -16.537 17.897  1.000 5.662  0 159 ASN A ND2 1 ? 
ATOM   1166 N  N   . MET A 1 160 ? -11.609 -18.583 20.184  1.000 4.764  0 160 MET A N   1 ? 
ATOM   1167 C  CA  . MET A 1 160 ? -10.162 -18.586 20.323  1.000 4.603  0 160 MET A CA  1 ? 
ATOM   1168 C  C   . MET A 1 160 ? -9.698  -19.587 21.381  1.000 4.821  0 160 MET A C   1 ? 
ATOM   1169 O  O   . MET A 1 160 ? -10.393 -19.840 22.376  1.000 5.199  0 160 MET A O   1 ? 
ATOM   1170 C  CB  . MET A 1 160 ? -9.643  -17.202 20.748  1.000 4.415  0 160 MET A CB  1 ? 
ATOM   1171 C  CG  . MET A 1 160 ? -9.947  -16.100 19.789  1.000 4.393  0 160 MET A CG  1 ? 
ATOM   1172 S  SD  . MET A 1 160 ? -9.607  -14.493 20.542  1.000 3.958  0 160 MET A SD  1 ? 
ATOM   1173 C  CE  . MET A 1 160 ? -10.311 -13.438 19.278  1.000 4.744  0 160 MET A CE  1 ? 
ATOM   1174 N  N   . PHE A 1 161 ? -8.501  -20.138 21.186  1.000 4.833  0 161 PHE A N   1 ? 
ATOM   1175 C  CA  . PHE A 1 161 ? -7.839  -20.904 22.230  1.000 5.139  0 161 PHE A CA  1 ? 
ATOM   1176 C  C   . PHE A 1 161 ? -6.343  -20.587 22.217  1.000 5.033  0 161 PHE A C   1 ? 
ATOM   1177 O  O   . PHE A 1 161 ? -5.793  -20.103 21.230  1.000 4.611  0 161 PHE A O   1 ? 
ATOM   1178 C  CB  . PHE A 1 161 ? -8.047  -22.409 22.094  1.000 5.436  0 161 PHE A CB  1 ? 
ATOM   1179 C  CG  . PHE A 1 161 ? -7.375  -23.104 20.927  1.000 5.507  0 161 PHE A CG  1 ? 
ATOM   1180 C  CD1 . PHE A 1 161 ? -7.994  -23.195 19.679  1.000 5.850  0 161 PHE A CD1 1 ? 
ATOM   1181 C  CD2 . PHE A 1 161 ? -6.080  -23.593 21.059  1.000 5.903  0 161 PHE A CD2 1 ? 
ATOM   1182 C  CE1 . PHE A 1 161 ? -7.354  -23.848 18.628  1.000 5.826  0 161 PHE A CE1 1 ? 
ATOM   1183 C  CE2 . PHE A 1 161 ? -5.463  -24.238 20.012  1.000 5.696  0 161 PHE A CE2 1 ? 
ATOM   1184 C  CZ  . PHE A 1 161 ? -6.094  -24.356 18.797  1.000 5.774  0 161 PHE A CZ  1 ? 
ATOM   1185 N  N   . CYS A 1 162 ? -5.708  -20.807 23.353  1.000 5.063  0 162 CYS A N   1 ? 
ATOM   1186 C  CA  . CYS A 1 162 ? -4.294  -20.575 23.516  1.000 5.163  0 162 CYS A CA  1 ? 
ATOM   1187 C  C   . CYS A 1 162 ? -3.600  -21.919 23.374  1.000 5.230  0 162 CYS A C   1 ? 
ATOM   1188 O  O   . CYS A 1 162 ? -4.130  -22.938 23.826  1.000 5.754  0 162 CYS A O   1 ? 
ATOM   1189 C  CB  . CYS A 1 162 ? -3.913  -20.004 24.877  1.000 5.304  0 162 CYS A CB  1 ? 
ATOM   1190 S  SG  . CYS A 1 162 ? -4.327  -18.245 25.053  1.000 5.279  0 162 CYS A SG  1 ? 
ATOM   1191 N  N   . ALA A 1 163 ? -2.403  -21.893 22.787  1.000 5.137  0 163 ALA A N   1 ? 
ATOM   1192 C  CA  . ALA A 1 163 ? -1.536  -23.058 22.822  1.000 4.914  0 163 ALA A CA  1 ? 
ATOM   1193 C  C   . ALA A 1 163 ? -0.083  -22.624 22.886  1.000 4.818  0 163 ALA A C   1 ? 
ATOM   1194 O  O   . ALA A 1 163 ? 0.259   -21.548 22.418  1.000 4.743  0 163 ALA A O   1 ? 
ATOM   1195 C  CB  . ALA A 1 163 ? -1.848  -23.934 21.626  1.000 4.861  0 163 ALA A CB  1 ? 
ATOM   1196 N  N   . GLY A 1 164 ? 0.733   -23.456 23.525  1.000 4.876  0 164 GLY A N   1 ? 
ATOM   1197 C  CA  . GLY A 1 164 ? 2.158   -23.226 23.654  1.000 5.578  0 164 GLY A CA  1 ? 
ATOM   1198 C  C   . GLY A 1 164 ? 2.595   -23.361 25.109  1.000 6.006  0 164 GLY A C   1 ? 
ATOM   1199 O  O   . GLY A 1 164 ? 2.177   -24.280 25.823  1.000 6.212  0 164 GLY A O   1 ? 
ATOM   1200 N  N   . TYR A 1 165 ? 3.438   -22.418 25.545  1.000 6.121  0 165 TYR A N   1 ? 
ATOM   1201 C  CA  . TYR A 1 165 ? 4.216   -22.589 26.767  1.000 7.144  0 165 TYR A CA  1 ? 
ATOM   1202 C  C   . TYR A 1 165 ? 4.261   -21.269 27.512  1.000 8.017  0 165 TYR A C   1 ? 
ATOM   1203 O  O   . TYR A 1 165 ? 4.782   -20.299 26.979  1.000 8.171  0 165 TYR A O   1 ? 
ATOM   1204 C  CB  . TYR A 1 165 ? 5.612   -23.082 26.395  1.000 7.148  0 165 TYR A CB  1 ? 
ATOM   1205 C  CG  . TYR A 1 165 ? 5.611   -24.425 25.703  1.000 7.525  0 165 TYR A CG  1 ? 
ATOM   1206 C  CD1 . TYR A 1 165 ? 5.532   -24.519 24.317  1.000 7.985  0 165 TYR A CD1 1 ? 
ATOM   1207 C  CD2 . TYR A 1 165 ? 5.726   -25.590 26.435  1.000 7.896  0 165 TYR A CD2 1 ? 
ATOM   1208 C  CE1 . TYR A 1 165 ? 5.609   -25.741 23.685  1.000 8.473  0 165 TYR A CE1 1 ? 
ATOM   1209 C  CE2 . TYR A 1 165 ? 5.709   -26.823 25.811  1.000 8.261  0 165 TYR A CE2 1 ? 
ATOM   1210 C  CZ  . TYR A 1 165 ? 5.645   -26.906 24.436  1.000 8.130  0 165 TYR A CZ  1 ? 
ATOM   1211 O  OH  . TYR A 1 165 ? 5.666   -28.157 23.857  1.000 8.644  0 165 TYR A OH  1 ? 
ATOM   1212 N  N   . LEU A 1 166 ? 3.715   -21.222 28.737  1.000 8.666  0 166 LEU A N   1 ? 
ATOM   1213 C  CA  . LEU A 1 166 ? 3.697   -19.966 29.488  1.000 9.521  0 166 LEU A CA  1 ? 
ATOM   1214 C  C   . LEU A 1 166 ? 5.104   -19.503 29.890  1.000 10.532 0 166 LEU A C   1 ? 
ATOM   1215 O  O   . LEU A 1 166 ? 5.344   -18.306 30.060  1.000 10.836 0 166 LEU A O   1 ? 
ATOM   1216 C  CB  . LEU A 1 166 ? 2.768   -20.120 30.688  1.000 10.114 0 166 LEU A CB  1 ? 
ATOM   1217 C  CG  . LEU A 1 166 ? 1.274   -20.309 30.406  1.000 11.599 0 166 LEU A CG  1 ? 
ATOM   1218 C  CD1 . LEU A 1 166 ? 0.543   -20.444 31.711  1.000 11.769 0 166 LEU A CD1 1 ? 
ATOM   1219 C  CD2 . LEU A 1 166 ? 0.724   -19.194 29.598  1.000 12.613 0 166 LEU A CD2 1 ? 
ATOM   1220 N  N   . GLU A 1 167 ? 6.085   -20.419 29.926  1.000 11.362 0 167 GLU A N   1 ? 
ATOM   1221 C  CA  . GLU A 1 167 ? 7.445   -20.038 30.288  1.000 14.114 0 167 GLU A CA  1 ? 
ATOM   1222 C  C   . GLU A 1 167 ? 8.148   -19.277 29.161  1.000 14.000 0 167 GLU A C   1 ? 
ATOM   1223 O  O   . GLU A 1 167 ? 9.189   -18.676 29.403  1.000 16.644 0 167 GLU A O   1 ? 
ATOM   1224 C  CB  . GLU A 1 167 ? 8.294   -21.224 30.746  1.000 16.024 0 167 GLU A CB  1 ? 
ATOM   1225 C  CG  . GLU A 1 167 ? 8.556   -22.253 29.654  1.000 19.343 0 167 GLU A CG  1 ? 
ATOM   1226 C  CD  . GLU A 1 167 ? 7.565   -23.409 29.550  1.000 20.503 0 167 GLU A CD  1 ? 
ATOM   1227 O  OE1 . GLU A 1 167 ? 8.077   -24.498 29.126  1.000 22.663 0 167 GLU A OE1 1 ? 
ATOM   1228 O  OE2 . GLU A 1 167 ? 6.348   -23.255 29.890  1.000 18.434 0 167 GLU A OE2 1 ? 
ATOM   1229 N  N   . GLY A 1 168 ? 7.618   -19.321 27.941  1.000 11.454 0 168 GLY A N   1 ? 
ATOM   1230 C  CA  . GLY A 1 168 ? 8.180   -18.596 26.814  1.000 11.438 0 168 GLY A CA  1 ? 
ATOM   1231 C  C   . GLY A 1 168 ? 9.187   -19.450 26.046  1.000 10.047 0 168 GLY A C   1 ? 
ATOM   1232 O  O   . GLY A 1 168 ? 9.525   -20.554 26.474  1.000 11.772 0 168 GLY A O   1 ? 
ATOM   1233 N  N   . GLY A 1 169 ? 9.653   -18.923 24.915  1.000 8.372  0 169 GLY A N   1 ? 
ATOM   1234 C  CA  . GLY A 1 169 ? 10.733  -19.526 24.146  1.000 7.948  0 169 GLY A CA  1 ? 
ATOM   1235 C  C   . GLY A 1 169 ? 10.254  -20.384 22.982  1.000 7.166  0 169 GLY A C   1 ? 
ATOM   1236 O  O   . GLY A 1 169 ? 11.069  -20.696 22.100  1.000 7.970  0 169 GLY A O   1 ? 
ATOM   1237 N  N   . LYS A 1 170 ? 8.992   -20.831 23.020  1.000 7.316  0 170 LYS A N   1 ? 
ATOM   1238 C  CA  . LYS A 1 170 ? 8.447   -21.667 21.960  1.000 7.857  0 170 LYS A CA  1 ? 
ATOM   1239 C  C   . LYS A 1 170 ? 7.037   -21.189 21.574  1.000 6.436  0 170 LYS A C   1 ? 
ATOM   1240 O  O   . LYS A 1 170 ? 6.097   -21.222 22.392  1.000 6.293  0 170 LYS A O   1 ? 
ATOM   1241 C  CB  . LYS A 1 170 ? 8.366   -23.116 22.440  1.000 9.430  0 170 LYS A CB  1 ? 
ATOM   1242 C  CG  . LYS A 1 170 ? 9.734   -23.812 22.592  1.000 12.007 0 170 LYS A CG  1 ? 
ATOM   1243 C  CD  . LYS A 1 170 ? 9.650   -25.288 22.988  1.000 14.974 0 170 LYS A CD  1 ? 
ATOM   1244 C  CE  . LYS A 1 170 ? 9.234   -25.457 24.388  1.000 20.207 0 170 LYS A CE  1 ? 
ATOM   1245 N  NZ  . LYS A 1 170 ? 9.307   -26.875 24.777  1.000 25.060 0 170 LYS A NZ  1 ? 
ATOM   1246 N  N   . ASP A 1 171 ? 6.882   -20.781 20.306  1.000 5.253  0 171 ASP A N   1 ? 
ATOM   1247 C  CA  . ASP A 1 171 ? 5.666   -20.107 19.844  1.000 4.769  0 171 ASP A CA  1 ? 
ATOM   1248 C  C   . ASP A 1 171 ? 5.658   -20.053 18.316  1.000 4.652  0 171 ASP A C   1 ? 
ATOM   1249 O  O   . ASP A 1 171 ? 6.688   -20.288 17.676  1.000 5.537  0 171 ASP A O   1 ? 
ATOM   1250 C  CB  . ASP A 1 171 ? 5.572   -18.705 20.439  1.000 4.393  0 171 ASP A CB  1 ? 
ATOM   1251 C  CG  . ASP A 1 171 ? 4.191   -18.054 20.438  1.000 4.176  0 171 ASP A CG  1 ? 
ATOM   1252 O  OD1 . ASP A 1 171 ? 3.192   -18.747 20.044  1.000 3.760  0 171 ASP A OD1 1 ? 
ATOM   1253 O  OD2 . ASP A 1 171 ? 4.119   -16.887 20.877  1.000 4.265  0 171 ASP A OD2 1 ? 
ATOM   1254 N  N   . SER A 1 172 ? 4.473   -19.804 17.736  1.000 4.375  0 172 SER A N   1 ? 
ATOM   1255 C  CA  . SER A 1 172 ? 4.394   -19.275 16.385  1.000 4.528  0 172 SER A CA  1 ? 
ATOM   1256 C  C   . SER A 1 172 ? 4.660   -17.772 16.402  1.000 4.440  0 172 SER A C   1 ? 
ATOM   1257 O  O   . SER A 1 172 ? 4.770   -17.196 17.479  1.000 3.873  0 172 SER A O   1 ? 
ATOM   1258 C  CB  . SER A 1 172 ? 3.091   -19.644 15.711  1.000 4.891  0 172 SER A CB  1 ? 
ATOM   1259 O  OG  . SER A 1 172 ? 1.970   -19.144 16.439  1.000 4.352  0 172 SER A OG  1 ? 
ATOM   1260 N  N   . CYS A 1 173 ? 4.721   -17.138 15.222  1.000 4.643  0 173 CYS A N   1 ? 
ATOM   1261 C  CA  . CYS A 1 173 ? 5.178   -15.758 15.089  1.000 5.556  0 173 CYS A CA  1 ? 
ATOM   1262 C  C   . CYS A 1 173 ? 4.662   -15.167 13.775  1.000 6.305  0 173 CYS A C   1 ? 
ATOM   1263 O  O   . CYS A 1 173 ? 4.057   -15.859 12.968  1.000 5.464  0 173 CYS A O   1 ? 
ATOM   1264 C  CB  . CYS A 1 173 ? 6.697   -15.705 15.217  1.000 6.085  0 173 CYS A CB  1 ? 
ATOM   1265 S  SG  . CYS A 1 173 ? 7.344   -14.082 15.739  1.000 6.554  0 173 CYS A SG  1 ? 
ATOM   1266 N  N   . GLN A 1 174 ? 4.985   -13.887 13.553  1.000 7.230  0 174 GLN A N   1 ? 
ATOM   1267 C  CA  . GLN A 1 174 ? 4.686   -13.212 12.304  1.000 8.072  0 174 GLN A CA  1 ? 
ATOM   1268 C  C   . GLN A 1 174 ? 5.136   -14.073 11.127  1.000 6.884  0 174 GLN A C   1 ? 
ATOM   1269 O  O   . GLN A 1 174 ? 6.287   -14.559 11.101  1.000 6.988  0 174 GLN A O   1 ? 
ATOM   1270 C  CB  . GLN A 1 174 ? 5.445   -11.881 12.291  1.000 10.220 0 174 GLN A CB  1 ? 
ATOM   1271 C  CG  . GLN A 1 174 ? 4.698   -10.746 12.986  1.000 12.578 0 174 GLN A CG  1 ? 
ATOM   1272 C  CD  . GLN A 1 174 ? 4.588   -10.820 14.499  1.000 14.738 0 174 GLN A CD  1 ? 
ATOM   1273 O  OE1 . GLN A 1 174 ? 3.560   -10.445 15.075  1.000 21.362 0 174 GLN A OE1 1 ? 
ATOM   1274 N  NE2 . GLN A 1 174 ? 5.660   -11.186 15.175  1.000 14.399 0 174 GLN A NE2 1 ? 
ATOM   1275 N  N   . GLY A 1 175 ? 4.235   -14.215 10.152  1.000 5.912  0 175 GLY A N   1 ? 
ATOM   1276 C  CA  . GLY A 1 175 ? 4.519   -14.972 8.943   1.000 5.416  0 175 GLY A CA  1 ? 
ATOM   1277 C  C   . GLY A 1 175 ? 4.045   -16.433 9.062   1.000 4.833  0 175 GLY A C   1 ? 
ATOM   1278 O  O   . GLY A 1 175 ? 3.919   -17.159 8.064   1.000 5.119  0 175 GLY A O   1 ? 
ATOM   1279 N  N   . ASP A 1 176 ? 3.739   -16.868 10.287  1.000 4.450  0 176 ASP A N   1 ? 
ATOM   1280 C  CA  . ASP A 1 176 ? 3.067   -18.153 10.513  1.000 4.248  0 176 ASP A CA  1 ? 
ATOM   1281 C  C   . ASP A 1 176 ? 1.550   -18.056 10.396  1.000 3.903  0 176 ASP A C   1 ? 
ATOM   1282 O  O   . ASP A 1 176 ? 0.846   -19.076 10.267  1.000 3.460  0 176 ASP A O   1 ? 
ATOM   1283 C  CB  . ASP A 1 176 ? 3.399   -18.751 11.860  1.000 4.347  0 176 ASP A CB  1 ? 
ATOM   1284 C  CG  . ASP A 1 176 ? 4.862   -19.184 12.009  1.000 4.295  0 176 ASP A CG  1 ? 
ATOM   1285 O  OD1 . ASP A 1 176 ? 5.388   -19.761 11.038  1.000 4.147  0 176 ASP A OD1 1 ? 
ATOM   1286 O  OD2 . ASP A 1 176 ? 5.479   -18.921 13.107  1.000 4.960  0 176 ASP A OD2 1 ? 
ATOM   1287 N  N   . SER A 1 177 ? 1.081   -16.811 10.499  1.000 3.671  0 177 SER A N   1 ? 
ATOM   1288 C  CA  . SER A 1 177 ? -0.337  -16.467 10.479  1.000 3.557  0 177 SER A CA  1 ? 
ATOM   1289 C  C   . SER A 1 177 ? -1.091  -17.223 9.402   1.000 3.236  0 177 SER A C   1 ? 
ATOM   1290 O  O   . SER A 1 177 ? -0.639  -17.310 8.263   1.000 3.401  0 177 SER A O   1 ? 
ATOM   1291 C  CB  . SER A 1 177 ? -0.470  -14.999 10.268  1.000 3.858  0 177 SER A CB  1 ? 
ATOM   1292 O  OG  . SER A 1 177 ? -0.146  -14.362 11.474  1.000 4.483  0 177 SER A OG  1 ? 
ATOM   1293 N  N   . GLY A 1 178 ? -2.248  -17.788 9.778   1.000 3.115  0 178 GLY A N   1 ? 
ATOM   1294 C  CA  . GLY A 1 178 ? -3.097  -18.469 8.817   1.000 3.045  0 178 GLY A CA  1 ? 
ATOM   1295 C  C   . GLY A 1 178 ? -2.825  -19.964 8.706   1.000 3.025  0 178 GLY A C   1 ? 
ATOM   1296 O  O   . GLY A 1 178 ? -3.608  -20.715 8.122   1.000 2.706  0 178 GLY A O   1 ? 
ATOM   1297 N  N   . GLY A 1 179 ? -1.663  -20.362 9.261   1.000 3.234  0 179 GLY A N   1 ? 
ATOM   1298 C  CA  . GLY A 1 179 ? -1.218  -21.742 9.121   1.000 3.400  0 179 GLY A CA  1 ? 
ATOM   1299 C  C   . GLY A 1 179 ? -1.815  -22.637 10.195  1.000 3.446  0 179 GLY A C   1 ? 
ATOM   1300 O  O   . GLY A 1 179 ? -2.585  -22.215 11.058  1.000 3.772  0 179 GLY A O   1 ? 
ATOM   1301 N  N   . PRO A 1 180 ? -1.521  -23.952 10.100  1.000 3.517  0 180 PRO A N   1 ? 
ATOM   1302 C  CA  . PRO A 1 180 ? -2.192  -24.970 10.895  1.000 3.537  0 180 PRO A CA  1 ? 
ATOM   1303 C  C   . PRO A 1 180 ? -1.737  -25.247 12.303  1.000 3.650  0 180 PRO A C   1 ? 
ATOM   1304 O  O   . PRO A 1 180 ? -0.576  -25.113 12.636  1.000 3.485  0 180 PRO A O   1 ? 
ATOM   1305 C  CB  . PRO A 1 180 ? -1.931  -26.243 10.071  1.000 3.559  0 180 PRO A CB  1 ? 
ATOM   1306 C  CG  . PRO A 1 180 ? -0.578  -26.007 9.480   1.000 3.586  0 180 PRO A CG  1 ? 
ATOM   1307 C  CD  . PRO A 1 180 ? -0.673  -24.531 9.069   1.000 3.481  0 180 PRO A CD  1 ? 
ATOM   1308 N  N   . VAL A 1 181 ? -2.719  -25.722 13.070  1.000 3.844  0 181 VAL A N   1 ? 
ATOM   1309 C  CA  . VAL A 1 181 ? -2.557  -26.317 14.373  1.000 4.208  0 181 VAL A CA  1 ? 
ATOM   1310 C  C   . VAL A 1 181 ? -3.312  -27.632 14.258  1.000 4.380  0 181 VAL A C   1 ? 
ATOM   1311 O  O   . VAL A 1 181 ? -4.527  -27.614 14.163  1.000 4.265  0 181 VAL A O   1 ? 
ATOM   1312 C  CB  . VAL A 1 181 ? -3.114  -25.497 15.558  1.000 4.433  0 181 VAL A CB  1 ? 
ATOM   1313 C  CG1 . VAL A 1 181 ? -2.818  -26.233 16.855  1.000 4.523  0 181 VAL A CG1 1 ? 
ATOM   1314 C  CG2 . VAL A 1 181 ? -2.552  -24.058 15.530  1.000 4.705  0 181 VAL A CG2 1 ? 
ATOM   1315 N  N   . VAL A 1 182 ? -2.596  -28.741 14.163  1.000 4.129  0 182 VAL A N   1 ? 
ATOM   1316 C  CA  . VAL A 1 182 ? -3.193  -30.050 13.909  1.000 4.178  0 182 VAL A CA  1 ? 
ATOM   1317 C  C   . VAL A 1 182 ? -2.964  -30.910 15.143  1.000 4.437  0 182 VAL A C   1 ? 
ATOM   1318 O  O   . VAL A 1 182 ? -1.830  -31.009 15.632  1.000 4.607  0 182 VAL A O   1 ? 
ATOM   1319 C  CB  . VAL A 1 182 ? -2.595  -30.681 12.639  1.000 4.387  0 182 VAL A CB  1 ? 
ATOM   1320 C  CG1 . VAL A 1 182 ? -2.737  -32.211 12.594  1.000 4.423  0 182 VAL A CG1 1 ? 
ATOM   1321 C  CG2 . VAL A 1 182 ? -3.193  -30.044 11.387  1.000 4.518  0 182 VAL A CG2 1 ? 
ATOM   1322 N  N   . CYS A 1 183 ? -4.032  -31.544 15.621  1.000 4.611  0 183 CYS A N   1 ? 
ATOM   1323 C  CA  . CYS A 1 183 ? -3.989  -32.306 16.853  1.000 5.379  0 183 CYS A CA  1 ? 
ATOM   1324 C  C   . CYS A 1 183 ? -4.687  -33.622 16.566  1.000 6.460  0 183 CYS A C   1 ? 
ATOM   1325 O  O   . CYS A 1 183 ? -5.811  -33.623 16.085  1.000 6.387  0 183 CYS A O   1 ? 
ATOM   1326 C  CB  . CYS A 1 183 ? -4.695  -31.590 18.004  1.000 5.548  0 183 CYS A CB  1 ? 
ATOM   1327 S  SG  . CYS A 1 183 ? -4.522  -29.774 18.066  1.000 6.305  0 183 CYS A SG  1 ? 
ATOM   1328 N  N   . SER A 1 184 ? -3.970  -34.712 16.819  1.000 7.571  0 184 SER A N   1 ? 
ATOM   1329 C  CA  . SER A 1 184 ? -4.480  -36.036 16.515  1.000 9.390  0 184 SER A CA  1 ? 
ATOM   1330 C  C   . SER A 1 184 ? -5.062  -36.113 15.095  1.000 9.012  0 184 SER A C   1 ? 
ATOM   1331 O  O   . SER A 1 184 ? -6.104  -36.699 14.877  1.000 9.722  0 184 SER A O   1 ? 
ATOM   1332 C  CB  . SER A 1 184 ? -5.509  -36.401 17.523  1.000 11.147 0 184 SER A CB  1 ? 
ATOM   1333 O  OG  . SER A 1 184 ? -5.018  -36.279 18.847  1.000 13.849 0 184 SER A OG  1 ? 
ATOM   1334 N  N   . GLY A 1 185 ? -4.393  -35.492 14.127  1.000 9.077  0 185 GLY A N   1 ? 
ATOM   1335 C  CA  . GLY A 1 185 ? -4.711  -35.593 12.717  1.000 8.708  0 185 GLY A CA  1 ? 
ATOM   1336 C  C   . GLY A 1 185 ? -5.898  -34.746 12.278  1.000 8.275  0 185 GLY A C   1 ? 
ATOM   1337 O  O   . GLY A 1 185 ? -6.395  -34.958 11.172  1.000 8.799  0 185 GLY A O   1 ? 
ATOM   1338 N  N   . LYS A 1 186 ? -6.317  -33.780 13.109  1.000 7.552  0 186 LYS A N   1 ? 
ATOM   1339 C  CA  . LYS A 1 186 ? -7.444  -32.913 12.781  1.000 7.774  0 186 LYS A CA  1 ? 
ATOM   1340 C  C   . LYS A 1 186 ? -6.977  -31.461 12.870  1.000 6.379  0 186 LYS A C   1 ? 
ATOM   1341 O  O   . LYS A 1 186 ? -6.258  -31.090 13.783  1.000 6.768  0 186 LYS A O   1 ? 
ATOM   1342 C  CB  . LYS A 1 186 ? -8.595  -33.048 13.780  1.000 9.501  0 186 LYS A CB  1 ? 
ATOM   1343 C  CG  . LYS A 1 186 ? -9.050  -34.477 14.019  1.000 12.098 0 186 LYS A CG  1 ? 
ATOM   1344 C  CD  . LYS A 1 186 ? -9.525  -35.187 12.766  1.000 14.353 0 186 LYS A CD  1 ? 
ATOM   1345 C  CE  . LYS A 1 186 ? -9.780  -36.629 13.074  1.000 18.560 0 186 LYS A CE  1 ? 
ATOM   1346 N  NZ  . LYS A 1 186 ? -10.696 -37.239 12.109  1.000 22.525 0 186 LYS A NZ  1 ? 
ATOM   1347 N  N   . LEU A 1 187 ? -7.475  -30.625 11.969  1.000 5.869  0 187 LEU A N   1 ? 
ATOM   1348 C  CA  . LEU A 1 187 ? -7.142  -29.205 11.992  1.000 5.723  0 187 LEU A CA  1 ? 
ATOM   1349 C  C   . LEU A 1 187 ? -7.975  -28.522 13.076  1.000 5.275  0 187 LEU A C   1 ? 
ATOM   1350 O  O   . LEU A 1 187 ? -9.149  -28.236 12.842  1.000 5.557  0 187 LEU A O   1 ? 
ATOM   1351 C  CB  . LEU A 1 187 ? -7.401  -28.591 10.610  1.000 6.083  0 187 LEU A CB  1 ? 
ATOM   1352 C  CG  . LEU A 1 187 ? -7.105  -27.092 10.487  1.000 6.367  0 187 LEU A CG  1 ? 
ATOM   1353 C  CD1 . LEU A 1 187 ? -5.639  -26.892 10.607  1.000 6.595  0 187 LEU A CD1 1 ? 
ATOM   1354 C  CD2 . LEU A 1 187 ? -7.617  -26.522 9.193   1.000 6.071  0 187 LEU A CD2 1 ? 
ATOM   1355 N  N   . GLN A 1 188 ? -7.376  -28.226 14.227  1.000 4.964  0 188 GLN A N   1 ? 
ATOM   1356 C  CA  . GLN A 1 188 ? -8.119  -27.651 15.331  1.000 4.668  0 188 GLN A CA  1 ? 
ATOM   1357 C  C   . GLN A 1 188 ? -7.909  -26.139 15.429  1.000 4.454  0 188 GLN A C   1 ? 
ATOM   1358 O  O   . GLN A 1 188 ? -8.710  -25.438 16.037  1.000 4.254  0 188 GLN A O   1 ? 
ATOM   1359 C  CB  . GLN A 1 188 ? -7.732  -28.289 16.667  1.000 4.883  0 188 GLN A CB  1 ? 
ATOM   1360 C  CG  . GLN A 1 188 ? -8.188  -29.739 16.809  1.000 4.900  0 188 GLN A CG  1 ? 
ATOM   1361 C  CD  . GLN A 1 188 ? -9.681  -29.945 16.967  1.000 5.258  0 188 GLN A CD  1 ? 
ATOM   1362 O  OE1 . GLN A 1 188 ? -10.498 -29.021 16.983  1.000 5.635  0 188 GLN A OE1 1 ? 
ATOM   1363 N  NE2 . GLN A 1 188 ? -10.057 -31.212 17.059  1.000 5.241  0 188 GLN A NE2 1 ? 
ATOM   1364 N  N   . GLY A 1 189 ? -6.847  -25.620 14.827  1.000 4.250  0 189 GLY A N   1 ? 
ATOM   1365 C  CA  . GLY A 1 189 ? -6.575  -24.208 14.990  1.000 4.011  0 189 GLY A CA  1 ? 
ATOM   1366 C  C   . GLY A 1 189 ? -5.946  -23.558 13.782  1.000 3.780  0 189 GLY A C   1 ? 
ATOM   1367 O  O   . GLY A 1 189 ? -5.369  -24.222 12.944  1.000 3.519  0 189 GLY A O   1 ? 
ATOM   1368 N  N   . ILE A 1 190 ? -5.977  -22.214 13.765  1.000 3.691  0 190 ILE A N   1 ? 
ATOM   1369 C  CA  . ILE A 1 190 ? -5.323  -21.417 12.756  1.000 3.636  0 190 ILE A CA  1 ? 
ATOM   1370 C  C   . ILE A 1 190 ? -4.472  -20.397 13.501  1.000 3.361  0 190 ILE A C   1 ? 
ATOM   1371 O  O   . ILE A 1 190 ? -4.957  -19.768 14.435  1.000 3.461  0 190 ILE A O   1 ? 
ATOM   1372 C  CB  . ILE A 1 190 ? -6.406  -20.741 11.877  1.000 3.844  0 190 ILE A CB  1 ? 
ATOM   1373 C  CG1 . ILE A 1 190 ? -7.340  -21.766 11.194  1.000 4.055  0 190 ILE A CG1 1 ? 
ATOM   1374 C  CG2 . ILE A 1 190 ? -5.816  -19.719 10.889  1.000 3.907  0 190 ILE A CG2 1 ? 
ATOM   1375 C  CD1 . ILE A 1 190 ? -8.575  -21.110 10.597  1.000 4.040  0 190 ILE A CD1 1 ? 
ATOM   1376 N  N   . VAL A 1 191 ? -3.211  -20.210 13.085  1.000 3.185  0 191 VAL A N   1 ? 
ATOM   1377 C  CA  . VAL A 1 191 ? -2.330  -19.236 13.717  1.000 2.996  0 191 VAL A CA  1 ? 
ATOM   1378 C  C   . VAL A 1 191 ? -3.026  -17.880 13.567  1.000 2.944  0 191 VAL A C   1 ? 
ATOM   1379 O  O   . VAL A 1 191 ? -3.217  -17.436 12.454  1.000 2.899  0 191 VAL A O   1 ? 
ATOM   1380 C  CB  . VAL A 1 191 ? -0.937  -19.219 13.076  1.000 3.004  0 191 VAL A CB  1 ? 
ATOM   1381 C  CG1 . VAL A 1 191 ? -0.029  -18.178 13.724  1.000 2.857  0 191 VAL A CG1 1 ? 
ATOM   1382 C  CG2 . VAL A 1 191 ? -0.320  -20.610 13.108  1.000 3.041  0 191 VAL A CG2 1 ? 
ATOM   1383 N  N   . SER A 1 192 ? -3.314  -17.177 14.686  1.000 3.031  0 192 SER A N   1 ? 
ATOM   1384 C  CA  . SER A 1 192 ? -4.045  -15.923 14.623  1.000 3.290  0 192 SER A CA  1 ? 
ATOM   1385 C  C   . SER A 1 192 ? -3.254  -14.755 15.224  1.000 3.644  0 192 SER A C   1 ? 
ATOM   1386 O  O   . SER A 1 192 ? -2.917  -13.797 14.530  1.000 4.075  0 192 SER A O   1 ? 
ATOM   1387 C  CB  . SER A 1 192 ? -5.400  -16.130 15.214  1.000 3.240  0 192 SER A CB  1 ? 
ATOM   1388 O  OG  . SER A 1 192 ? -6.175  -14.947 15.231  1.000 3.179  0 192 SER A OG  1 ? 
ATOM   1389 N  N   . TRP A 1 193 ? -2.908  -14.808 16.508  1.000 4.055  0 193 TRP A N   1 ? 
ATOM   1390 C  CA  . TRP A 1 193 ? -2.325  -13.631 17.134  1.000 4.278  0 193 TRP A CA  1 ? 
ATOM   1391 C  C   . TRP A 1 193 ? -1.577  -13.987 18.422  1.000 4.671  0 193 TRP A C   1 ? 
ATOM   1392 O  O   . TRP A 1 193 ? -1.577  -15.153 18.843  1.000 4.554  0 193 TRP A O   1 ? 
ATOM   1393 C  CB  . TRP A 1 193 ? -3.394  -12.552 17.354  1.000 4.034  0 193 TRP A CB  1 ? 
ATOM   1394 C  CG  . TRP A 1 193 ? -4.528  -12.826 18.303  1.000 3.808  0 193 TRP A CG  1 ? 
ATOM   1395 C  CD1 . TRP A 1 193 ? -5.710  -13.423 18.014  1.000 3.766  0 193 TRP A CD1 1 ? 
ATOM   1396 C  CD2 . TRP A 1 193 ? -4.634  -12.367 19.661  1.000 4.170  0 193 TRP A CD2 1 ? 
ATOM   1397 N  NE1 . TRP A 1 193 ? -6.532  -13.438 19.117  1.000 3.792  0 193 TRP A NE1 1 ? 
ATOM   1398 C  CE2 . TRP A 1 193 ? -5.885  -12.807 20.147  1.000 4.006  0 193 TRP A CE2 1 ? 
ATOM   1399 C  CE3 . TRP A 1 193 ? -3.766  -11.701 20.534  1.000 4.529  0 193 TRP A CE3 1 ? 
ATOM   1400 C  CZ2 . TRP A 1 193 ? -6.329  -12.527 21.449  1.000 4.312  0 193 TRP A CZ2 1 ? 
ATOM   1401 C  CZ3 . TRP A 1 193 ? -4.191  -11.451 21.826  1.000 4.805  0 193 TRP A CZ3 1 ? 
ATOM   1402 C  CH2 . TRP A 1 193 ? -5.445  -11.865 22.271  1.000 4.675  0 193 TRP A CH2 1 ? 
ATOM   1403 N  N   . GLY A 1 194 ? -0.956  -12.958 19.020  1.000 5.355  0 194 GLY A N   1 ? 
ATOM   1404 C  CA  . GLY A 1 194 ? -0.168  -13.107 20.247  1.000 6.007  0 194 GLY A CA  1 ? 
ATOM   1405 C  C   . GLY A 1 194 ? 0.592   -11.806 20.513  1.000 7.215  0 194 GLY A C   1 ? 
ATOM   1406 O  O   . GLY A 1 194 ? 0.822   -11.071 19.570  1.000 8.216  0 194 GLY A O   1 ? 
ATOM   1407 N  N   . SER A 1 195 ? 0.926   -11.531 21.771  1.000 7.711  0 195 SER A N   1 ? 
ATOM   1408 C  CA  . SER A 1 195 ? 1.693   -10.346 22.102  1.000 8.701  0 195 SER A CA  1 ? 
ATOM   1409 C  C   . SER A 1 195 ? 3.168   -10.658 21.934  1.000 7.797  0 195 SER A C   1 ? 
ATOM   1410 O  O   . SER A 1 195 ? 3.744   -11.411 22.729  1.000 7.316  0 195 SER A O   1 ? 
ATOM   1411 C  CB  . SER A 1 195 ? 1.399   -9.867  23.489  1.000 10.442 0 195 SER A CB  1 ? 
ATOM   1412 O  OG  . SER A 1 195 ? 2.238   -8.744  23.719  1.000 14.043 0 195 SER A OG  1 ? 
ATOM   1413 N  N   . GLY A 1 196 ? 3.743   -10.144 20.850  1.000 6.764  0 196 GLY A N   1 ? 
ATOM   1414 C  CA  . GLY A 1 196 ? 5.087   -10.530 20.468  1.000 6.893  0 196 GLY A CA  1 ? 
ATOM   1415 C  C   . GLY A 1 196 ? 5.062   -12.017 20.103  1.000 7.001  0 196 GLY A C   1 ? 
ATOM   1416 O  O   . GLY A 1 196 ? 4.027   -12.527 19.662  1.000 6.274  0 196 GLY A O   1 ? 
ATOM   1417 N  N   . CYS A 1 197 ? 6.183   -12.686 20.331  1.000 6.621  0 197 CYS A N   1 ? 
ATOM   1418 C  CA  . CYS A 1 197 ? 6.292   -14.112 20.082  1.000 6.919  0 197 CYS A CA  1 ? 
ATOM   1419 C  C   . CYS A 1 197 ? 7.162   -14.741 21.151  1.000 6.608  0 197 CYS A C   1 ? 
ATOM   1420 O  O   . CYS A 1 197 ? 8.215   -14.231 21.482  1.000 6.867  0 197 CYS A O   1 ? 
ATOM   1421 C  CB  . CYS A 1 197 ? 6.961   -14.394 18.743  1.000 7.124  0 197 CYS A CB  1 ? 
ATOM   1422 S  SG  . CYS A 1 197 ? 6.244   -13.525 17.324  1.000 7.096  0 197 CYS A SG  1 ? 
ATOM   1423 N  N   . ALA A 1 198 ? 6.722   -15.861 21.703  1.000 6.194  0 198 ALA A N   1 ? 
ATOM   1424 C  CA  . ALA A 1 198 ? 7.547   -16.649 22.603  1.000 6.624  0 198 ALA A CA  1 ? 
ATOM   1425 C  C   . ALA A 1 198 ? 7.889   -15.896 23.893  1.000 7.213  0 198 ALA A C   1 ? 
ATOM   1426 O  O   . ALA A 1 198 ? 8.901   -16.190 24.541  1.000 6.432  0 198 ALA A O   1 ? 
ATOM   1427 C  CB  . ALA A 1 198 ? 8.795   -17.110 21.897  1.000 6.441  0 198 ALA A CB  1 ? 
ATOM   1428 N  N   . GLN A 1 199 ? 7.036   -14.932 24.254  1.000 7.272  0 199 GLN A N   1 ? 
ATOM   1429 C  CA  . GLN A 1 199 ? 7.216   -14.134 25.450  1.000 8.977  0 199 GLN A CA  1 ? 
ATOM   1430 C  C   . GLN A 1 199 ? 6.575   -14.873 26.616  1.000 8.844  0 199 GLN A C   1 ? 
ATOM   1431 O  O   . GLN A 1 199 ? 5.550   -15.549 26.486  1.000 7.767  0 199 GLN A O   1 ? 
ATOM   1432 C  CB  . GLN A 1 199 ? 6.568   -12.753 25.318  1.000 9.348  0 199 GLN A CB  1 ? 
ATOM   1433 C  CG  . GLN A 1 199 ? 7.134   -11.913 24.171  1.000 10.460 0 199 GLN A CG  1 ? 
ATOM   1434 C  CD  . GLN A 1 199 ? 8.624   -11.674 24.279  1.000 12.950 0 199 GLN A CD  1 ? 
ATOM   1435 O  OE1 . GLN A 1 199 ? 9.116   -11.076 25.248  1.000 16.435 0 199 GLN A OE1 1 ? 
ATOM   1436 N  NE2 . GLN A 1 199 ? 9.375   -12.199 23.323  1.000 13.314 0 199 GLN A NE2 1 ? 
ATOM   1437 N  N   . LYS A 1 200 ? 7.197   -14.737 27.785  1.000 9.946  0 200 LYS A N   1 ? 
ATOM   1438 C  CA  . LYS A 1 200 ? 6.643   -15.300 29.000  1.000 10.962 0 200 LYS A CA  1 ? 
ATOM   1439 C  C   . LYS A 1 200 ? 5.222   -14.783 29.236  1.000 10.905 0 200 LYS A C   1 ? 
ATOM   1440 O  O   . LYS A 1 200 ? 4.942   -13.584 29.099  1.000 9.711  0 200 LYS A O   1 ? 
ATOM   1441 C  CB  . LYS A 1 200 ? 7.524   -14.966 30.210  1.000 13.656 0 200 LYS A CB  1 ? 
ATOM   1442 C  CG  . LYS A 1 200 ? 7.077   -15.635 31.499  1.000 17.144 0 200 LYS A CG  1 ? 
ATOM   1443 C  CD  . LYS A 1 200 ? 7.881   -15.244 32.745  1.000 22.185 0 200 LYS A CD  1 ? 
ATOM   1444 C  CE  . LYS A 1 200 ? 7.263   -15.854 33.981  1.000 25.574 0 200 LYS A CE  1 ? 
ATOM   1445 N  NZ  . LYS A 1 200 ? 7.935   -15.398 35.201  1.000 29.373 0 200 LYS A NZ  1 ? 
ATOM   1446 N  N   . ASN A 1 201 ? 4.332   -15.726 29.555  1.000 9.999  0 201 ASN A N   1 ? 
ATOM   1447 C  CA  . ASN A 1 201 ? 2.945   -15.479 29.905  1.000 11.339 0 201 ASN A CA  1 ? 
ATOM   1448 C  C   . ASN A 1 201 ? 2.152   -14.876 28.750  1.000 11.292 0 201 ASN A C   1 ? 
ATOM   1449 O  O   . ASN A 1 201 ? 1.084   -14.341 29.013  1.000 13.076 0 201 ASN A O   1 ? 
ATOM   1450 C  CB  . ASN A 1 201 ? 2.835   -14.644 31.175  1.000 13.052 0 201 ASN A CB  1 ? 
ATOM   1451 C  CG  . ASN A 1 201 ? 3.408   -15.359 32.381  1.000 16.120 0 201 ASN A CG  1 ? 
ATOM   1452 O  OD1 . ASN A 1 201 ? 4.086   -14.742 33.223  1.000 18.674 0 201 ASN A OD1 1 ? 
ATOM   1453 N  ND2 . ASN A 1 201 ? 3.110   -16.640 32.514  1.000 18.606 0 201 ASN A ND2 1 ? 
ATOM   1454 N  N   . LYS A 1 202 ? 2.672   -14.980 27.516  1.000 9.799  0 202 LYS A N   1 ? 
ATOM   1455 C  CA  . LYS A 1 202 ? 2.014   -14.499 26.313  1.000 9.252  0 202 LYS A CA  1 ? 
ATOM   1456 C  C   . LYS A 1 202 ? 1.994   -15.614 25.275  1.000 7.466  0 202 LYS A C   1 ? 
ATOM   1457 O  O   . LYS A 1 202 ? 2.679   -15.582 24.257  1.000 7.354  0 202 LYS A O   1 ? 
ATOM   1458 C  CB  . LYS A 1 202 ? 2.715   -13.235 25.822  1.000 10.250 0 202 LYS A CB  1 ? 
ATOM   1459 C  CG  . LYS A 1 202 ? 2.626   -12.101 26.860  1.000 11.141 0 202 LYS A CG  1 ? 
ATOM   1460 C  CD  . LYS A 1 202 ? 1.190   -11.643 27.087  1.000 14.109 0 202 LYS A CD  1 ? 
ATOM   1461 C  CE  . LYS A 1 202 ? 1.038   -10.335 27.799  1.000 15.086 0 202 LYS A CE  1 ? 
ATOM   1462 N  NZ  . LYS A 1 202 ? -0.385  -9.993  27.973  1.000 14.842 0 202 LYS A NZ  1 ? 
ATOM   1463 N  N   . PRO A 1 203 ? 1.156   -16.648 25.481  1.000 6.817  0 203 PRO A N   1 ? 
ATOM   1464 C  CA  . PRO A 1 203 ? 1.154   -17.769 24.560  1.000 6.357  0 203 PRO A CA  1 ? 
ATOM   1465 C  C   . PRO A 1 203 ? 0.480   -17.357 23.263  1.000 5.356  0 203 PRO A C   1 ? 
ATOM   1466 O  O   . PRO A 1 203 ? -0.106  -16.283 23.122  1.000 5.522  0 203 PRO A O   1 ? 
ATOM   1467 C  CB  . PRO A 1 203 ? 0.358   -18.817 25.328  1.000 6.567  0 203 PRO A CB  1 ? 
ATOM   1468 C  CG  . PRO A 1 203 ? -0.669  -17.960 26.038  1.000 6.522  0 203 PRO A CG  1 ? 
ATOM   1469 C  CD  . PRO A 1 203 ? 0.199   -16.842 26.573  1.000 6.545  0 203 PRO A CD  1 ? 
ATOM   1470 N  N   . GLY A 1 204 ? 0.575   -18.249 22.288  1.000 4.929  0 204 GLY A N   1 ? 
ATOM   1471 C  CA  . GLY A 1 204 ? -0.078  -18.065 20.999  1.000 4.322  0 204 GLY A CA  1 ? 
ATOM   1472 C  C   . GLY A 1 204 ? -1.592  -18.194 21.145  1.000 4.195  0 204 GLY A C   1 ? 
ATOM   1473 O  O   . GLY A 1 204 ? -2.054  -19.061 21.885  1.000 3.893  0 204 GLY A O   1 ? 
ATOM   1474 N  N   . VAL A 1 205 ? -2.308  -17.420 20.334  1.000 3.688  0 205 VAL A N   1 ? 
ATOM   1475 C  CA  . VAL A 1 205 ? -3.754  -17.429 20.323  1.000 3.447  0 205 VAL A CA  1 ? 
ATOM   1476 C  C   . VAL A 1 205 ? -4.164  -17.901 18.932  1.000 3.187  0 205 VAL A C   1 ? 
ATOM   1477 O  O   . VAL A 1 205 ? -3.707  -17.375 17.920  1.000 2.781  0 205 VAL A O   1 ? 
ATOM   1478 C  CB  . VAL A 1 205 ? -4.413  -16.081 20.712  1.000 3.429  0 205 VAL A CB  1 ? 
ATOM   1479 C  CG1 . VAL A 1 205 ? -5.929  -16.259 20.845  1.000 3.588  0 205 VAL A CG1 1 ? 
ATOM   1480 C  CG2 . VAL A 1 205 ? -3.865  -15.521 22.014  1.000 3.588  0 205 VAL A CG2 1 ? 
ATOM   1481 N  N   . TYR A 1 206 ? -5.104  -18.876 18.876  1.000 3.060  0 206 TYR A N   1 ? 
ATOM   1482 C  CA  . TYR A 1 206 ? -5.450  -19.589 17.664  1.000 3.206  0 206 TYR A CA  1 ? 
ATOM   1483 C  C   . TYR A 1 206 ? -6.967  -19.549 17.444  1.000 3.181  0 206 TYR A C   1 ? 
ATOM   1484 O  O   . TYR A 1 206 ? -7.771  -19.620 18.389  1.000 3.428  0 206 TYR A O   1 ? 
ATOM   1485 C  CB  . TYR A 1 206 ? -4.944  -21.036 17.768  1.000 3.158  0 206 TYR A CB  1 ? 
ATOM   1486 C  CG  . TYR A 1 206 ? -3.431  -21.100 17.887  1.000 3.241  0 206 TYR A CG  1 ? 
ATOM   1487 C  CD1 . TYR A 1 206 ? -2.627  -21.097 16.747  1.000 3.300  0 206 TYR A CD1 1 ? 
ATOM   1488 C  CD2 . TYR A 1 206 ? -2.854  -21.010 19.150  1.000 3.136  0 206 TYR A CD2 1 ? 
ATOM   1489 C  CE1 . TYR A 1 206 ? -1.261  -21.048 16.850  1.000 3.427  0 206 TYR A CE1 1 ? 
ATOM   1490 C  CE2 . TYR A 1 206 ? -1.476  -20.963 19.258  1.000 3.157  0 206 TYR A CE2 1 ? 
ATOM   1491 C  CZ  . TYR A 1 206 ? -0.715  -21.003 18.109  1.000 3.429  0 206 TYR A CZ  1 ? 
ATOM   1492 O  OH  . TYR A 1 206 ? 0.639   -20.929 18.216  1.000 3.054  0 206 TYR A OH  1 ? 
ATOM   1493 N  N   . THR A 1 207 ? -7.355  -19.492 16.175  1.000 3.328  0 207 THR A N   1 ? 
ATOM   1494 C  CA  . THR A 1 207 ? -8.770  -19.540 15.832  1.000 3.326  0 207 THR A CA  1 ? 
ATOM   1495 C  C   . THR A 1 207 ? -9.262  -20.959 16.100  1.000 3.762  0 207 THR A C   1 ? 
ATOM   1496 O  O   . THR A 1 207 ? -8.581  -21.883 15.701  1.000 3.802  0 207 THR A O   1 ? 
ATOM   1497 C  CB  . THR A 1 207 ? -8.995  -19.214 14.363  1.000 3.186  0 207 THR A CB  1 ? 
ATOM   1498 O  OG1 . THR A 1 207 ? -8.419  -17.959 14.057  1.000 2.976  0 207 THR A OG1 1 ? 
ATOM   1499 C  CG2 . THR A 1 207 ? -10.476 -19.151 14.058  1.000 3.012  0 207 THR A CG2 1 ? 
ATOM   1500 N  N   . LYS A 1 208 ? -10.435 -21.100 16.744  1.000 4.146  0 208 LYS A N   1 ? 
ATOM   1501 C  CA  . LYS A 1 208 ? -10.976 -22.398 17.131  1.000 4.725  0 208 LYS A CA  1 ? 
ATOM   1502 C  C   . LYS A 1 208 ? -11.792 -23.010 16.009  1.000 4.379  0 208 LYS A C   1 ? 
ATOM   1503 O  O   . LYS A 1 208 ? -13.001 -22.799 15.880  1.000 3.830  0 208 LYS A O   1 ? 
ATOM   1504 C  CB  . LYS A 1 208 ? -11.751 -22.228 18.427  1.000 5.362  0 208 LYS A CB  1 ? 
ATOM   1505 C  CG  . LYS A 1 208 ? -12.121 -23.529 19.119  1.000 6.289  0 208 LYS A CG  1 ? 
ATOM   1506 C  CD  . LYS A 1 208 ? -12.732 -23.289 20.492  1.000 7.020  0 208 LYS A CD  1 ? 
ATOM   1507 C  CE  . LYS A 1 208 ? -13.062 -24.575 21.190  1.000 8.748  0 208 LYS A CE  1 ? 
ATOM   1508 N  NZ  . LYS A 1 208 ? -13.294 -24.393 22.628  1.000 11.029 0 208 LYS A NZ  1 ? 
ATOM   1509 N  N   . VAL A 1 209 ? -11.139 -23.829 15.200  1.000 4.197  0 209 VAL A N   1 ? 
ATOM   1510 C  CA  . VAL A 1 209 ? -11.692 -24.267 13.936  1.000 4.222  0 209 VAL A CA  1 ? 
ATOM   1511 C  C   . VAL A 1 209 ? -12.983 -25.081 14.118  1.000 4.636  0 209 VAL A C   1 ? 
ATOM   1512 O  O   . VAL A 1 209 ? -13.874 -25.006 13.288  1.000 4.685  0 209 VAL A O   1 ? 
ATOM   1513 C  CB  . VAL A 1 209 ? -10.637 -25.014 13.104  1.000 4.316  0 209 VAL A CB  1 ? 
ATOM   1514 C  CG1 . VAL A 1 209 ? -11.246 -25.716 11.895  1.000 4.101  0 209 VAL A CG1 1 ? 
ATOM   1515 C  CG2 . VAL A 1 209 ? -9.521  -24.058 12.677  1.000 4.219  0 209 VAL A CG2 1 ? 
ATOM   1516 N  N   . CYS A 1 210 ? -13.093 -25.847 15.194  1.000 5.311  0 210 CYS A N   1 ? 
ATOM   1517 C  CA  . CYS A 1 210 ? -14.243 -26.720 15.395  1.000 5.807  0 210 CYS A CA  1 ? 
ATOM   1518 C  C   . CYS A 1 210 ? -15.543 -25.920 15.408  1.000 6.080  0 210 CYS A C   1 ? 
ATOM   1519 O  O   . CYS A 1 210 ? -16.629 -26.413 15.047  1.000 6.559  0 210 CYS A O   1 ? 
ATOM   1520 C  CB  . CYS A 1 210 ? -14.080 -27.536 16.673  1.000 5.952  0 210 CYS A CB  1 ? 
ATOM   1521 S  SG  . CYS A 1 210 ? -14.015 -26.547 18.179  1.000 6.662  0 210 CYS A SG  1 ? 
ATOM   1522 N  N   . ASN A 1 211 ? -15.472 -24.657 15.790  1.000 5.499  0 211 ASN A N   1 ? 
ATOM   1523 C  CA  . ASN A 1 211 ? -16.645 -23.792 15.775  1.000 5.710  0 211 ASN A CA  1 ? 
ATOM   1524 C  C   . ASN A 1 211 ? -17.151 -23.447 14.378  1.000 6.237  0 211 ASN A C   1 ? 
ATOM   1525 O  O   . ASN A 1 211 ? -18.288 -22.936 14.247  1.000 7.548  0 211 ASN A O   1 ? 
ATOM   1526 C  CB  . ASN A 1 211 ? -16.370 -22.466 16.499  1.000 5.725  0 211 ASN A CB  1 ? 
ATOM   1527 C  CG  . ASN A 1 211 ? -16.184 -22.626 17.984  1.000 6.187  0 211 ASN A CG  1 ? 
ATOM   1528 O  OD1 . ASN A 1 211 ? -16.253 -23.742 18.526  1.000 6.675  0 211 ASN A OD1 1 ? 
ATOM   1529 N  ND2 . ASN A 1 211 ? -15.943 -21.500 18.659  1.000 5.828  0 211 ASN A ND2 1 ? 
ATOM   1530 N  N   . TYR A 1 212 ? -16.330 -23.689 13.346  1.000 5.537  0 212 TYR A N   1 ? 
ATOM   1531 C  CA  . TYR A 1 212 ? -16.594 -23.184 12.010  1.000 5.095  0 212 TYR A CA  1 ? 
ATOM   1532 C  C   . TYR A 1 212 ? -16.855 -24.296 11.009  1.000 5.426  0 212 TYR A C   1 ? 
ATOM   1533 O  O   . TYR A 1 212 ? -17.004 -24.000 9.838   1.000 5.246  0 212 TYR A O   1 ? 
ATOM   1534 C  CB  . TYR A 1 212 ? -15.355 -22.399 11.578  1.000 4.738  0 212 TYR A CB  1 ? 
ATOM   1535 C  CG  . TYR A 1 212 ? -15.193 -21.168 12.452  1.000 4.196  0 212 TYR A CG  1 ? 
ATOM   1536 C  CD1 . TYR A 1 212 ? -16.002 -20.051 12.289  1.000 4.069  0 212 TYR A CD1 1 ? 
ATOM   1537 C  CD2 . TYR A 1 212 ? -14.232 -21.122 13.449  1.000 3.925  0 212 TYR A CD2 1 ? 
ATOM   1538 C  CE1 . TYR A 1 212 ? -15.867 -18.943 13.102  1.000 3.894  0 212 TYR A CE1 1 ? 
ATOM   1539 C  CE2 . TYR A 1 212 ? -14.103 -20.018 14.273  1.000 3.820  0 212 TYR A CE2 1 ? 
ATOM   1540 C  CZ  . TYR A 1 212 ? -14.896 -18.909 14.083  1.000 3.947  0 212 TYR A CZ  1 ? 
ATOM   1541 O  OH  . TYR A 1 212 ? -14.823 -17.796 14.898  1.000 4.066  0 212 TYR A OH  1 ? 
ATOM   1542 N  N   . VAL A 1 213 ? -16.845 -25.548 11.454  1.000 6.869  0 213 VAL A N   1 ? 
ATOM   1543 C  CA  . VAL A 1 213 ? -17.021 -26.675 10.537  1.000 7.564  0 213 VAL A CA  1 ? 
ATOM   1544 C  C   . VAL A 1 213 ? -18.312 -26.566 9.728   1.000 7.801  0 213 VAL A C   1 ? 
ATOM   1545 O  O   . VAL A 1 213 ? -18.288 -26.806 8.520   1.000 7.385  0 213 VAL A O   1 ? 
ATOM   1546 C  CB  . VAL A 1 213 ? -16.878 -27.996 11.320  1.000 8.603  0 213 VAL A CB  1 ? 
ATOM   1547 C  CG1 . VAL A 1 213 ? -17.264 -29.236 10.520  1.000 9.438  0 213 VAL A CG1 1 ? 
ATOM   1548 C  CG2 . VAL A 1 213 ? -15.445 -28.182 11.784  1.000 8.558  0 213 VAL A CG2 1 ? 
ATOM   1549 N  N   . SER A 1 214 ? -19.419 -26.183 10.365  1.000 7.995  0 214 SER A N   1 ? 
ATOM   1550 C  CA  . SER A 1 214 ? -20.706 -26.032 9.668   1.000 8.697  0 214 SER A CA  1 ? 
ATOM   1551 C  C   . SER A 1 214 ? -20.595 -24.988 8.562   1.000 7.243  0 214 SER A C   1 ? 
ATOM   1552 O  O   . SER A 1 214 ? -20.973 -25.233 7.415   1.000 7.346  0 214 SER A O   1 ? 
ATOM   1553 C  CB  . SER A 1 214 ? -21.834 -25.626 10.591  1.000 11.434 0 214 SER A CB  1 ? 
ATOM   1554 O  OG  . SER A 1 214 ? -22.311 -26.727 11.349  1.000 15.873 0 214 SER A OG  1 ? 
ATOM   1555 N  N   . TRP A 1 215 ? -20.006 -23.825 8.909   1.000 6.274  0 215 TRP A N   1 ? 
ATOM   1556 C  CA  . TRP A 1 215 ? -19.806 -22.758 7.936   1.000 5.790  0 215 TRP A CA  1 ? 
ATOM   1557 C  C   . TRP A 1 215 ? -18.881 -23.211 6.810   1.000 5.668  0 215 TRP A C   1 ? 
ATOM   1558 O  O   . TRP A 1 215 ? -19.135 -22.929 5.651   1.000 5.296  0 215 TRP A O   1 ? 
ATOM   1559 C  CB  . TRP A 1 215 ? -19.278 -21.482 8.619   1.000 5.954  0 215 TRP A CB  1 ? 
ATOM   1560 C  CG  . TRP A 1 215 ? -18.837 -20.423 7.634   1.000 5.573  0 215 TRP A CG  1 ? 
ATOM   1561 C  CD1 . TRP A 1 215 ? -19.631 -19.585 6.906   1.000 5.631  0 215 TRP A CD1 1 ? 
ATOM   1562 C  CD2 . TRP A 1 215 ? -17.478 -20.054 7.320   1.000 5.595  0 215 TRP A CD2 1 ? 
ATOM   1563 N  NE1 . TRP A 1 215 ? -18.866 -18.746 6.142   1.000 5.355  0 215 TRP A NE1 1 ? 
ATOM   1564 C  CE2 . TRP A 1 215 ? -17.542 -19.003 6.378   1.000 5.635  0 215 TRP A CE2 1 ? 
ATOM   1565 C  CE3 . TRP A 1 215 ? -16.209 -20.519 7.704   1.000 5.523  0 215 TRP A CE3 1 ? 
ATOM   1566 C  CZ2 . TRP A 1 215 ? -16.399 -18.420 5.832   1.000 5.785  0 215 TRP A CZ2 1 ? 
ATOM   1567 C  CZ3 . TRP A 1 215 ? -15.077 -19.921 7.173   1.000 5.255  0 215 TRP A CZ3 1 ? 
ATOM   1568 C  CH2 . TRP A 1 215 ? -15.169 -18.893 6.234   1.000 5.395  0 215 TRP A CH2 1 ? 
ATOM   1569 N  N   . ILE A 1 216 ? -17.783 -23.906 7.144   1.000 5.631  0 216 ILE A N   1 ? 
ATOM   1570 C  CA  . ILE A 1 216 ? -16.877 -24.343 6.102   1.000 5.634  0 216 ILE A CA  1 ? 
ATOM   1571 C  C   . ILE A 1 216 ? -17.620 -25.274 5.158   1.000 6.320  0 216 ILE A C   1 ? 
ATOM   1572 O  O   . ILE A 1 216 ? -17.556 -25.101 3.962   1.000 5.905  0 216 ILE A O   1 ? 
ATOM   1573 C  CB  . ILE A 1 216 ? -15.643 -25.025 6.678   1.000 5.779  0 216 ILE A CB  1 ? 
ATOM   1574 C  CG1 . ILE A 1 216 ? -14.770 -24.001 7.405   1.000 6.119  0 216 ILE A CG1 1 ? 
ATOM   1575 C  CG2 . ILE A 1 216 ? -14.872 -25.779 5.602   1.000 5.916  0 216 ILE A CG2 1 ? 
ATOM   1576 C  CD1 . ILE A 1 216 ? -13.803 -24.620 8.370   1.000 6.236  0 216 ILE A CD1 1 ? 
ATOM   1577 N  N   . LYS A 1 217 ? -18.317 -26.255 5.713   1.000 7.076  0 217 LYS A N   1 ? 
ATOM   1578 C  CA  . LYS A 1 217 ? -18.943 -27.260 4.865   1.000 8.380  0 217 LYS A CA  1 ? 
ATOM   1579 C  C   . LYS A 1 217 ? -19.980 -26.629 3.943   1.000 8.730  0 217 LYS A C   1 ? 
ATOM   1580 O  O   . LYS A 1 217 ? -20.010 -26.938 2.751   1.000 7.978  0 217 LYS A O   1 ? 
ATOM   1581 C  CB  . LYS A 1 217 ? -19.531 -28.368 5.735   1.000 11.075 0 217 LYS A CB  1 ? 
ATOM   1582 C  CG  . LYS A 1 217 ? -18.475 -29.272 6.363   1.000 14.663 0 217 LYS A CG  1 ? 
ATOM   1583 C  CD  . LYS A 1 217 ? -19.183 -30.300 7.262   1.000 19.721 0 217 LYS A CD  1 ? 
ATOM   1584 C  CE  . LYS A 1 217 ? -18.318 -31.373 7.859   1.000 23.819 0 217 LYS A CE  1 ? 
ATOM   1585 N  NZ  . LYS A 1 217 ? -17.601 -32.077 6.791   1.000 27.278 0 217 LYS A NZ  1 ? 
ATOM   1586 N  N   . GLN A 1 218 ? -20.821 -25.746 4.477   1.000 8.526  0 218 GLN A N   1 ? 
ATOM   1587 C  CA  . GLN A 1 218 ? -21.892 -25.206 3.656   1.000 9.570  0 218 GLN A CA  1 ? 
ATOM   1588 C  C   . GLN A 1 218 ? -21.313 -24.267 2.599   1.000 8.171  0 218 GLN A C   1 ? 
ATOM   1589 O  O   . GLN A 1 218 ? -21.801 -24.207 1.470   1.000 7.877  0 218 GLN A O   1 ? 
ATOM   1590 C  CB  . GLN A 1 218 ? -23.004 -24.664 4.556   1.000 12.512 0 218 GLN A CB  1 ? 
ATOM   1591 C  CG  . GLN A 1 218 ? -22.772 -23.297 5.178   1.000 15.403 0 218 GLN A CG  1 ? 
ATOM   1592 C  CD  . GLN A 1 218 ? -23.154 -22.139 4.273   1.000 19.612 0 218 GLN A CD  1 ? 
ATOM   1593 O  OE1 . GLN A 1 218 ? -23.789 -22.308 3.215   1.000 23.391 0 218 GLN A OE1 1 ? 
ATOM   1594 N  NE2 . GLN A 1 218 ? -22.697 -20.951 4.665   1.000 18.819 0 218 GLN A NE2 1 ? 
ATOM   1595 N  N   . THR A 1 219 ? -20.241 -23.552 2.961   1.000 7.192  0 219 THR A N   1 ? 
ATOM   1596 C  CA  . THR A 1 219 ? -19.631 -22.635 2.027   1.000 6.805  0 219 THR A CA  1 ? 
ATOM   1597 C  C   . THR A 1 219 ? -19.073 -23.443 0.861   1.000 7.546  0 219 THR A C   1 ? 
ATOM   1598 O  O   . THR A 1 219 ? -19.243 -23.112 -0.331  1.000 6.704  0 219 THR A O   1 ? 
ATOM   1599 C  CB  . THR A 1 219 ? -18.568 -21.785 2.714   1.000 6.318  0 219 THR A CB  1 ? 
ATOM   1600 O  OG1 . THR A 1 219 ? -19.222 -21.029 3.720   1.000 5.868  0 219 THR A OG1 1 ? 
ATOM   1601 C  CG2 . THR A 1 219 ? -17.848 -20.939 1.684   1.000 5.840  0 219 THR A CG2 1 ? 
ATOM   1602 N  N   . ILE A 1 220 ? -18.338 -24.518 1.183   1.000 7.621  0 220 ILE A N   1 ? 
ATOM   1603 C  CA  . ILE A 1 220 ? -17.799 -25.346 0.116   1.000 8.592  0 220 ILE A CA  1 ? 
ATOM   1604 C  C   . ILE A 1 220 ? -18.914 -25.889 -0.767  1.000 8.619  0 220 ILE A C   1 ? 
ATOM   1605 O  O   . ILE A 1 220 ? -18.729 -26.049 -1.983  1.000 10.438 0 220 ILE A O   1 ? 
ATOM   1606 C  CB  . ILE A 1 220 ? -16.937 -26.477 0.684   1.000 9.094  0 220 ILE A CB  1 ? 
ATOM   1607 C  CG1 . ILE A 1 220 ? -15.629 -25.899 1.194   1.000 10.749 0 220 ILE A CG1 1 ? 
ATOM   1608 C  CG2 . ILE A 1 220 ? -16.754 -27.613 -0.327  1.000 9.103  0 220 ILE A CG2 1 ? 
ATOM   1609 C  CD1 . ILE A 1 220 ? -14.833 -26.828 2.096   1.000 12.841 0 220 ILE A CD1 1 ? 
ATOM   1610 N  N   . ALA A 1 221 ? -20.024 -26.290 -0.140  1.000 8.193  0 221 ALA A N   1 ? 
ATOM   1611 C  CA  . ALA A 1 221 ? -21.092 -26.956 -0.869  1.000 8.829  0 221 ALA A CA  1 ? 
ATOM   1612 C  C   . ALA A 1 221 ? -21.760 -26.011 -1.865  1.000 10.192 0 221 ALA A C   1 ? 
ATOM   1613 O  O   . ALA A 1 221 ? -22.541 -26.476 -2.683  1.000 10.152 0 221 ALA A O   1 ? 
ATOM   1614 C  CB  . ALA A 1 221 ? -22.121 -27.498 0.101   1.000 9.995  0 221 ALA A CB  1 ? 
ATOM   1615 N  N   . SER A 1 222 ? -21.552 -24.694 -1.743  1.000 11.005 0 222 SER A N   1 ? 
ATOM   1616 C  CA  . SER A 1 222 ? -22.326 -23.749 -2.527  1.000 12.110 0 222 SER A CA  1 ? 
ATOM   1617 C  C   . SER A 1 222 ? -21.435 -22.847 -3.362  1.000 12.252 0 222 SER A C   1 ? 
ATOM   1618 O  O   . SER A 1 222 ? -21.917 -21.870 -3.939  1.000 12.992 0 222 SER A O   1 ? 
ATOM   1619 C  CB  . SER A 1 222 ? -23.211 -22.929 -1.675  1.000 15.078 0 222 SER A CB  1 ? 
ATOM   1620 O  OG  . SER A 1 222 ? -24.285 -23.739 -1.235  1.000 17.603 0 222 SER A OG  1 ? 
ATOM   1621 N  N   . ASN A 1 223 ? -20.145 -23.182 -3.443  1.000 11.473 0 223 ASN A N   1 ? 
ATOM   1622 C  CA  . ASN A 1 223 ? -19.209 -22.278 -4.094  1.000 11.695 0 223 ASN A CA  1 ? 
ATOM   1623 C  C   . ASN A 1 223 ? -18.218 -23.091 -4.932  1.000 12.692 0 223 ASN A C   1 ? 
ATOM   1624 O  O   . ASN A 1 223 ? -17.277 -22.452 -5.409  1.000 14.269 0 223 ASN A O   1 ? 
ATOM   1625 C  CB  . ASN A 1 223 ? -18.460 -21.432 -3.079  1.000 11.483 0 223 ASN A CB  1 ? 
ATOM   1626 C  CG  . ASN A 1 223 ? -19.309 -20.307 -2.548  1.000 10.822 0 223 ASN A CG  1 ? 
ATOM   1627 O  OD1 . ASN A 1 223 ? -19.426 -19.245 -3.180  1.000 12.084 0 223 ASN A OD1 1 ? 
ATOM   1628 N  ND2 . ASN A 1 223 ? -19.944 -20.528 -1.412  1.000 10.102 0 223 ASN A ND2 1 ? 
ATOM   1629 O  OXT . ASN A 1 223 ? -18.380 -24.326 -5.005  1.000 13.501 0 223 ASN A OXT 1 ? 
HETATM 1630 CA CA  . CA  B 2 .   ? 10.041  -24.628 -3.237  1.000 4.822  0 301 CA  A CA  1 ? 
HETATM 1631 C  C1  . BEN C 3 .   ? 1.758   -14.832 17.011  1.000 6.545  0 302 BEN A C1  1 ? 
HETATM 1632 C  C2  . BEN C 3 .   ? 1.364   -15.523 15.874  1.000 6.671  0 302 BEN A C2  1 ? 
HETATM 1633 C  C3  . BEN C 3 .   ? 1.024   -14.851 14.723  1.000 7.121  0 302 BEN A C3  1 ? 
HETATM 1634 C  C4  . BEN C 3 .   ? 0.984   -13.476 14.721  1.000 7.770  0 302 BEN A C4  1 ? 
HETATM 1635 C  C5  . BEN C 3 .   ? 1.334   -12.779 15.855  1.000 7.668  0 302 BEN A C5  1 ? 
HETATM 1636 C  C6  . BEN C 3 .   ? 1.690   -13.442 17.015  1.000 7.607  0 302 BEN A C6  1 ? 
HETATM 1637 C  C   . BEN C 3 .   ? 2.105   -15.587 18.239  1.000 5.806  0 302 BEN A C   1 ? 
HETATM 1638 N  N1  . BEN C 3 .   ? 1.720   -16.855 18.386  1.000 5.555  0 302 BEN A N1  1 ? 
HETATM 1639 N  N2  . BEN C 3 .   ? 2.829   -14.975 19.178  1.000 5.796  0 302 BEN A N2  1 ? 
HETATM 1640 O  O   . HOH D 4 .   ? 1.912   -9.033  14.322  1.000 35.203 0 401 HOH A O   1 ? 
HETATM 1641 O  O   . HOH D 4 .   ? -24.416 -24.437 1.010   1.000 25.313 0 402 HOH A O   1 ? 
HETATM 1642 O  O   . HOH D 4 .   ? -18.381 -27.188 -4.017  1.000 15.296 0 403 HOH A O   1 ? 
HETATM 1643 O  O   . HOH D 4 .   ? 12.550  -17.604 3.145   1.000 24.516 0 404 HOH A O   1 ? 
HETATM 1644 O  O   . HOH D 4 .   ? -10.559 -31.853 5.353   1.000 13.441 0 405 HOH A O   1 ? 
HETATM 1645 O  O   . HOH D 4 .   ? 4.994   -41.170 -1.217  1.000 27.334 0 406 HOH A O   1 ? 
HETATM 1646 O  O   . HOH D 4 .   ? 17.182  -16.954 3.486   1.000 21.340 0 407 HOH A O   1 ? 
HETATM 1647 O  O   . HOH D 4 .   ? 16.175  -27.051 -7.277  1.000 28.212 0 408 HOH A O   1 ? 
HETATM 1648 O  O   . HOH D 4 .   ? 0.574   -34.966 -7.925  1.000 28.849 0 409 HOH A O   1 ? 
HETATM 1649 O  O   . HOH D 4 .   ? -4.962  -23.153 8.451   1.000 6.262  0 410 HOH A O   1 ? 
HETATM 1650 O  O   . HOH D 4 .   ? 6.490   -11.668 8.563   1.000 33.852 0 411 HOH A O   1 ? 
HETATM 1651 O  O   . HOH D 4 .   ? -10.115 -10.001 21.265  1.000 9.491  0 412 HOH A O   1 ? 
HETATM 1652 O  O   . HOH D 4 .   ? -12.607 -30.871 -4.214  1.000 15.197 0 413 HOH A O   1 ? 
HETATM 1653 O  O   . HOH D 4 .   ? -12.261 -20.239 24.076  1.000 20.863 0 414 HOH A O   1 ? 
HETATM 1654 O  O   . HOH D 4 .   ? -13.029 -32.704 23.062  1.000 22.354 0 415 HOH A O   1 ? 
HETATM 1655 O  O   . HOH D 4 .   ? 16.633  -15.724 6.208   1.000 27.395 0 416 HOH A O   1 ? 
HETATM 1656 O  O   . HOH D 4 .   ? 3.544   -33.356 21.533  1.000 38.589 0 417 HOH A O   1 ? 
HETATM 1657 O  O   . HOH D 4 .   ? -4.350  -27.774 -10.717 1.000 15.433 0 418 HOH A O   1 ? 
HETATM 1658 O  O   . HOH D 4 .   ? -9.779  -20.637 25.378  1.000 22.531 0 419 HOH A O   1 ? 
HETATM 1659 O  O   . HOH D 4 .   ? -1.996  -34.899 23.283  1.000 28.641 0 420 HOH A O   1 ? 
HETATM 1660 O  O   . HOH D 4 .   ? 4.194   -30.655 1.116   1.000 8.076  0 421 HOH A O   1 ? 
HETATM 1661 O  O   . HOH D 4 .   ? -10.870 -26.450 17.092  1.000 5.239  0 422 HOH A O   1 ? 
HETATM 1662 O  O   . HOH D 4 .   ? 7.393   -33.629 13.124  1.000 18.787 0 423 HOH A O   1 ? 
HETATM 1663 O  O   . HOH D 4 .   ? -18.673 -19.353 16.719  1.000 29.084 0 424 HOH A O   1 ? 
HETATM 1664 O  O   . HOH D 4 .   ? -8.453  -25.077 26.059  1.000 31.711 0 425 HOH A O   1 ? 
HETATM 1665 O  O   . HOH D 4 .   ? -0.109  -10.902 -6.311  1.000 22.239 0 426 HOH A O   1 ? 
HETATM 1666 O  O   . HOH D 4 .   ? 8.557   -10.863 20.330  1.000 11.929 0 427 HOH A O   1 ? 
HETATM 1667 O  O   . HOH D 4 .   ? -10.514 -32.980 -7.060  1.000 21.502 0 428 HOH A O   1 ? 
HETATM 1668 O  O   . HOH D 4 .   ? 9.636   -25.685 27.384  1.000 41.537 0 429 HOH A O   1 ? 
HETATM 1669 O  O   . HOH D 4 .   ? -12.967 -35.565 11.260  1.000 25.365 0 430 HOH A O   1 ? 
HETATM 1670 O  O   . HOH D 4 .   ? -2.726  -7.775  -3.208  1.000 42.765 0 431 HOH A O   1 ? 
HETATM 1671 O  O   . HOH D 4 .   ? -6.184  -18.613 35.481  1.000 27.278 0 432 HOH A O   1 ? 
HETATM 1672 O  O   . HOH D 4 .   ? 9.909   -23.150 26.305  1.000 41.022 0 433 HOH A O   1 ? 
HETATM 1673 O  O   . HOH D 4 .   ? -1.527  -34.563 17.797  1.000 23.913 0 434 HOH A O   1 ? 
HETATM 1674 O  O   . HOH D 4 .   ? -23.498 -28.932 -2.828  1.000 17.892 0 435 HOH A O   1 ? 
HETATM 1675 O  O   . HOH D 4 .   ? 12.442  -12.302 23.634  1.000 19.396 0 436 HOH A O   1 ? 
HETATM 1676 O  O   . HOH D 4 .   ? 14.247  -32.229 -4.822  1.000 26.219 0 437 HOH A O   1 ? 
HETATM 1677 O  O   . HOH D 4 .   ? 3.428   -34.122 9.958   1.000 19.528 0 438 HOH A O   1 ? 
HETATM 1678 O  O   . HOH D 4 .   ? 3.626   -27.939 -10.487 1.000 36.440 0 439 HOH A O   1 ? 
HETATM 1679 O  O   . HOH D 4 .   ? -18.962 -16.823 15.149  1.000 18.915 0 440 HOH A O   1 ? 
HETATM 1680 O  O   . HOH D 4 .   ? -19.714 -25.081 -7.179  1.000 9.291  0 441 HOH A O   1 ? 
HETATM 1681 O  O   . HOH D 4 .   ? -7.472  -38.896 15.495  1.000 27.688 0 442 HOH A O   1 ? 
HETATM 1682 O  O   . HOH D 4 .   ? -1.602  -28.680 -9.805  1.000 13.906 0 443 HOH A O   1 ? 
HETATM 1683 O  O   . HOH D 4 .   ? 8.093   -10.631 14.246  1.000 17.159 0 444 HOH A O   1 ? 
HETATM 1684 O  O   . HOH D 4 .   ? 2.952   -31.968 -5.903  1.000 9.373  0 445 HOH A O   1 ? 
HETATM 1685 O  O   . HOH D 4 .   ? 0.750   -28.552 11.300  1.000 4.111  0 446 HOH A O   1 ? 
HETATM 1686 O  O   . HOH D 4 .   ? -14.783 -31.523 -0.028  1.000 29.065 0 447 HOH A O   1 ? 
HETATM 1687 O  O   . HOH D 4 .   ? -5.826  -8.427  5.506   1.000 21.022 0 448 HOH A O   1 ? 
HETATM 1688 O  O   . HOH D 4 .   ? 3.726   -36.218 3.587   1.000 9.191  0 449 HOH A O   1 ? 
HETATM 1689 O  O   . HOH D 4 .   ? 2.698   -15.117 -6.883  1.000 13.657 0 450 HOH A O   1 ? 
HETATM 1690 O  O   . HOH D 4 .   ? 6.253   -11.250 28.908  1.000 19.974 0 451 HOH A O   1 ? 
HETATM 1691 O  O   . HOH D 4 .   ? -2.229  -27.445 28.855  1.000 11.563 0 452 HOH A O   1 ? 
HETATM 1692 O  O   . HOH D 4 .   ? -9.755  -13.015 27.889  1.000 11.709 0 453 HOH A O   1 ? 
HETATM 1693 O  O   . HOH D 4 .   ? -8.717  -15.019 16.698  1.000 6.833  0 454 HOH A O   1 ? 
HETATM 1694 O  O   . HOH D 4 .   ? -16.539 -23.755 21.204  1.000 19.251 0 455 HOH A O   1 ? 
HETATM 1695 O  O   . HOH D 4 .   ? -1.684  -24.109 -11.716 1.000 37.125 0 456 HOH A O   1 ? 
HETATM 1696 O  O   . HOH D 4 .   ? -6.438  -8.195  21.964  1.000 24.245 0 457 HOH A O   1 ? 
HETATM 1697 O  O   . HOH D 4 .   ? -7.543  -11.269 -5.991  1.000 50.751 0 458 HOH A O   1 ? 
HETATM 1698 O  O   . HOH D 4 .   ? 3.389   -10.181 17.757  1.000 20.847 0 459 HOH A O   1 ? 
HETATM 1699 O  O   . HOH D 4 .   ? 10.964  -27.481 19.640  1.000 13.950 0 460 HOH A O   1 ? 
HETATM 1700 O  O   . HOH D 4 .   ? -8.912  -3.178  12.138  1.000 8.730  0 461 HOH A O   1 ? 
HETATM 1701 O  O   . HOH D 4 .   ? 4.120   -36.261 18.865  1.000 19.622 0 462 HOH A O   1 ? 
HETATM 1702 O  O   . HOH D 4 .   ? -14.681 -21.815 23.235  1.000 18.700 0 463 HOH A O   1 ? 
HETATM 1703 O  O   . HOH D 4 .   ? 4.516   -14.012 22.927  1.000 7.511  0 464 HOH A O   1 ? 
HETATM 1704 O  O   . HOH D 4 .   ? -8.435  -8.948  6.514   1.000 13.183 0 465 HOH A O   1 ? 
HETATM 1705 O  O   . HOH D 4 .   ? -22.811 -27.223 7.115   1.000 20.778 0 466 HOH A O   1 ? 
HETATM 1706 O  O   . HOH D 4 .   ? -1.226  -31.076 -10.980 1.000 31.835 0 467 HOH A O   1 ? 
HETATM 1707 O  O   . HOH D 4 .   ? 9.807   -34.957 -0.340  1.000 18.142 0 468 HOH A O   1 ? 
HETATM 1708 O  O   . HOH D 4 .   ? -23.841 -19.937 -4.048  1.000 27.828 0 469 HOH A O   1 ? 
HETATM 1709 O  O   . HOH D 4 .   ? 0.257   -12.123 30.373  1.000 22.411 0 470 HOH A O   1 ? 
HETATM 1710 O  O   . HOH D 4 .   ? 7.612   -9.552  26.943  1.000 27.837 0 471 HOH A O   1 ? 
HETATM 1711 O  O   . HOH D 4 .   ? -9.502  -23.551 35.287  1.000 42.490 0 472 HOH A O   1 ? 
HETATM 1712 O  O   . HOH D 4 .   ? -8.178  -33.426 17.446  1.000 7.911  0 473 HOH A O   1 ? 
HETATM 1713 O  O   . HOH D 4 .   ? 1.343   -8.884  3.124   1.000 23.927 0 474 HOH A O   1 ? 
HETATM 1714 O  O   . HOH D 4 .   ? -18.205 -9.698  14.647  1.000 13.865 0 475 HOH A O   1 ? 
HETATM 1715 O  O   . HOH D 4 .   ? 0.635   -33.419 10.790  1.000 8.436  0 476 HOH A O   1 ? 
HETATM 1716 O  O   . HOH D 4 .   ? -19.336 -29.456 1.881   1.000 11.020 0 477 HOH A O   1 ? 
HETATM 1717 O  O   . HOH D 4 .   ? 1.559   -6.379  22.490  1.000 21.996 0 478 HOH A O   1 ? 
HETATM 1718 O  O   . HOH D 4 .   ? -17.991 -25.873 18.447  1.000 19.634 0 479 HOH A O   1 ? 
HETATM 1719 O  O   . HOH D 4 .   ? -5.952  -31.506 -10.880 1.000 32.172 0 480 HOH A O   1 ? 
HETATM 1720 O  O   . HOH D 4 .   ? -0.948  -19.145 -10.779 1.000 15.554 0 481 HOH A O   1 ? 
HETATM 1721 O  O   . HOH D 4 .   ? -12.428 -6.432  27.006  1.000 20.130 0 482 HOH A O   1 ? 
HETATM 1722 O  O   . HOH D 4 .   ? -8.763  -0.029  14.155  1.000 5.595  0 483 HOH A O   1 ? 
HETATM 1723 O  O   . HOH D 4 .   ? 11.339  -28.515 6.667   1.000 5.750  0 484 HOH A O   1 ? 
HETATM 1724 O  O   . HOH D 4 .   ? 5.619   -34.269 -7.416  1.000 34.083 0 485 HOH A O   1 ? 
HETATM 1725 O  O   . HOH D 4 .   ? -1.928  -11.223 14.330  1.000 9.109  0 486 HOH A O   1 ? 
HETATM 1726 O  O   . HOH D 4 .   ? 8.915   -28.931 -3.357  1.000 6.021  0 487 HOH A O   1 ? 
HETATM 1727 O  O   . HOH D 4 .   ? 16.018  -20.691 -6.318  1.000 11.304 0 488 HOH A O   1 ? 
HETATM 1728 O  O   . HOH D 4 .   ? -7.509  -7.690  8.977   1.000 8.208  0 489 HOH A O   1 ? 
HETATM 1729 O  O   . HOH D 4 .   ? -9.645  -34.298 0.168   1.000 15.475 0 490 HOH A O   1 ? 
HETATM 1730 O  O   . HOH D 4 .   ? 10.016  -31.033 -2.219  1.000 9.956  0 491 HOH A O   1 ? 
HETATM 1731 O  O   . HOH D 4 .   ? -17.805 -20.094 -6.829  1.000 30.662 0 492 HOH A O   1 ? 
HETATM 1732 O  O   . HOH D 4 .   ? -15.474 -8.589  18.259  1.000 9.578  0 493 HOH A O   1 ? 
HETATM 1733 O  O   . HOH D 4 .   ? 6.036   -29.923 -9.327  1.000 18.541 0 494 HOH A O   1 ? 
HETATM 1734 O  O   . HOH D 4 .   ? -1.642  -15.921 -8.895  1.000 31.564 0 495 HOH A O   1 ? 
HETATM 1735 O  O   . HOH D 4 .   ? -1.209  -9.415  -4.159  1.000 48.944 0 496 HOH A O   1 ? 
HETATM 1736 O  O   . HOH D 4 .   ? 10.036  -11.366 17.138  1.000 18.544 0 497 HOH A O   1 ? 
HETATM 1737 O  O   . HOH D 4 .   ? -5.564  -15.086 -7.522  1.000 15.876 0 498 HOH A O   1 ? 
HETATM 1738 O  O   . HOH D 4 .   ? -6.037  -36.410 3.161   1.000 11.994 0 499 HOH A O   1 ? 
HETATM 1739 O  O   . HOH D 4 .   ? 10.058  -17.027 -2.916  1.000 9.874  0 500 HOH A O   1 ? 
HETATM 1740 O  O   . HOH D 4 .   ? -10.615 -4.196  8.507   1.000 16.764 0 501 HOH A O   1 ? 
HETATM 1741 O  O   . HOH D 4 .   ? 7.887   -29.036 3.657   1.000 4.893  0 502 HOH A O   1 ? 
HETATM 1742 O  O   . HOH D 4 .   ? -1.282  -9.524  18.554  1.000 24.578 0 503 HOH A O   1 ? 
HETATM 1743 O  O   . HOH D 4 .   ? 14.866  -27.688 17.860  1.000 21.739 0 504 HOH A O   1 ? 
HETATM 1744 O  O   . HOH D 4 .   ? -7.196  -21.821 25.511  1.000 8.454  0 505 HOH A O   1 ? 
HETATM 1745 O  O   . HOH D 4 .   ? 0.200   -13.975 -6.794  1.000 16.721 0 506 HOH A O   1 ? 
HETATM 1746 O  O   . HOH D 4 .   ? 5.570   -30.130 4.516   1.000 5.308  0 507 HOH A O   1 ? 
HETATM 1747 O  O   . HOH D 4 .   ? -5.829  -35.575 -6.914  1.000 23.700 0 508 HOH A O   1 ? 
HETATM 1748 O  O   . HOH D 4 .   ? 8.305   -28.190 -9.273  1.000 15.307 0 509 HOH A O   1 ? 
HETATM 1749 O  O   . HOH D 4 .   ? -19.489 -19.747 11.600  1.000 9.699  0 510 HOH A O   1 ? 
HETATM 1750 O  O   . HOH D 4 .   ? -10.304 -23.343 31.835  1.000 13.831 0 511 HOH A O   1 ? 
HETATM 1751 O  O   . HOH D 4 .   ? -13.457 -6.752  10.299  1.000 6.374  0 512 HOH A O   1 ? 
HETATM 1752 O  O   . HOH D 4 .   ? 0.982   -28.609 0.457   1.000 4.831  0 513 HOH A O   1 ? 
HETATM 1753 O  O   . HOH D 4 .   ? 11.520  -35.407 3.608   1.000 28.166 0 514 HOH A O   1 ? 
HETATM 1754 O  O   . HOH D 4 .   ? 9.486   -8.856  10.818  1.000 35.459 0 515 HOH A O   1 ? 
HETATM 1755 O  O   . HOH D 4 .   ? -0.440  -33.480 15.734  1.000 23.833 0 516 HOH A O   1 ? 
HETATM 1756 O  O   . HOH D 4 .   ? -12.362 -34.506 15.573  1.000 20.320 0 517 HOH A O   1 ? 
HETATM 1757 O  O   . HOH D 4 .   ? 0.024   -8.459  30.325  1.000 12.135 0 518 HOH A O   1 ? 
HETATM 1758 O  O   . HOH D 4 .   ? 17.307  -18.660 5.801   1.000 26.407 0 519 HOH A O   1 ? 
HETATM 1759 O  O   . HOH D 4 .   ? -8.762  -34.483 4.522   1.000 26.289 0 520 HOH A O   1 ? 
HETATM 1760 O  O   . HOH D 4 .   ? 12.170  -33.255 11.893  1.000 14.524 0 521 HOH A O   1 ? 
HETATM 1761 O  O   . HOH D 4 .   ? -18.719 -19.223 19.346  1.000 24.573 0 522 HOH A O   1 ? 
HETATM 1762 O  O   . HOH D 4 .   ? -7.979  -5.938  -1.606  1.000 27.768 0 523 HOH A O   1 ? 
HETATM 1763 O  O   . HOH D 4 .   ? 9.427   -12.966 27.972  1.000 21.504 0 524 HOH A O   1 ? 
HETATM 1764 O  O   . HOH D 4 .   ? 9.281   -22.696 -4.470  1.000 5.797  0 525 HOH A O   1 ? 
HETATM 1765 O  O   . HOH D 4 .   ? -9.078  -16.983 33.944  1.000 15.573 0 526 HOH A O   1 ? 
HETATM 1766 O  O   . HOH D 4 .   ? -6.606  -13.793 -4.633  1.000 17.401 0 527 HOH A O   1 ? 
HETATM 1767 O  O   . HOH D 4 .   ? -13.048 0.060   13.443  1.000 14.579 0 528 HOH A O   1 ? 
HETATM 1768 O  O   . HOH D 4 .   ? 14.016  -31.868 4.829   1.000 17.953 0 529 HOH A O   1 ? 
HETATM 1769 O  O   . HOH D 4 .   ? -17.485 -8.802  9.193   1.000 8.372  0 530 HOH A O   1 ? 
HETATM 1770 O  O   . HOH D 4 .   ? 4.593   -30.181 26.440  1.000 33.893 0 531 HOH A O   1 ? 
HETATM 1771 O  O   . HOH D 4 .   ? -12.664 -29.234 -9.675  1.000 18.551 0 532 HOH A O   1 ? 
HETATM 1772 O  O   . HOH D 4 .   ? -8.672  -12.307 32.631  1.000 24.086 0 533 HOH A O   1 ? 
HETATM 1773 O  O   . HOH D 4 .   ? -1.879  -17.612 32.202  1.000 17.377 0 534 HOH A O   1 ? 
HETATM 1774 O  O   . HOH D 4 .   ? -12.575 -22.768 -11.214 1.000 21.357 0 535 HOH A O   1 ? 
HETATM 1775 O  O   . HOH D 4 .   ? 8.038   -28.589 21.993  1.000 15.747 0 536 HOH A O   1 ? 
HETATM 1776 O  O   . HOH D 4 .   ? -10.542 -33.443 -2.166  1.000 12.221 0 537 HOH A O   1 ? 
HETATM 1777 O  O   . HOH D 4 .   ? -17.174 -10.925 5.764   1.000 11.253 0 538 HOH A O   1 ? 
HETATM 1778 O  O   . HOH D 4 .   ? -2.377  -38.980 -2.295  1.000 31.581 0 539 HOH A O   1 ? 
HETATM 1779 O  O   . HOH D 4 .   ? -1.521  -35.276 14.282  1.000 19.840 0 540 HOH A O   1 ? 
HETATM 1780 O  O   . HOH D 4 .   ? -3.562  -21.170 -11.365 1.000 14.681 0 541 HOH A O   1 ? 
HETATM 1781 O  O   . HOH D 4 .   ? -15.997 -32.521 10.319  1.000 18.860 0 542 HOH A O   1 ? 
HETATM 1782 O  O   . HOH D 4 .   ? -5.453  -6.669  -1.223  1.000 18.029 0 543 HOH A O   1 ? 
HETATM 1783 O  O   . HOH D 4 .   ? -10.016 -27.170 27.103  1.000 24.789 0 544 HOH A O   1 ? 
HETATM 1784 O  O   . HOH D 4 .   ? 8.877   -15.524 -0.439  1.000 6.811  0 545 HOH A O   1 ? 
HETATM 1785 O  O   . HOH D 4 .   ? 8.411   -13.126 2.413   1.000 15.872 0 546 HOH A O   1 ? 
HETATM 1786 O  O   . HOH D 4 .   ? -19.082 -13.590 16.335  1.000 13.544 0 547 HOH A O   1 ? 
HETATM 1787 O  O   . HOH D 4 .   ? -23.185 -21.110 7.519   1.000 29.403 0 548 HOH A O   1 ? 
HETATM 1788 O  O   . HOH D 4 .   ? -4.819  -23.265 -12.397 1.000 18.891 0 549 HOH A O   1 ? 
HETATM 1789 O  O   . HOH D 4 .   ? -12.616 -33.062 6.634   1.000 17.980 0 550 HOH A O   1 ? 
HETATM 1790 O  O   . HOH D 4 .   ? -5.273  -6.737  2.049   1.000 27.106 0 551 HOH A O   1 ? 
HETATM 1791 O  O   . HOH D 4 .   ? 14.259  -15.895 4.085   1.000 11.366 0 552 HOH A O   1 ? 
HETATM 1792 O  O   . HOH D 4 .   ? -10.659 -27.003 19.854  1.000 8.929  0 553 HOH A O   1 ? 
HETATM 1793 O  O   . HOH D 4 .   ? -14.643 -31.031 -7.153  1.000 19.850 0 554 HOH A O   1 ? 
HETATM 1794 O  O   . HOH D 4 .   ? 1.671   -8.279  19.521  1.000 39.105 0 555 HOH A O   1 ? 
HETATM 1795 O  O   . HOH D 4 .   ? 7.693   -33.585 10.520  1.000 31.196 0 556 HOH A O   1 ? 
HETATM 1796 O  O   . HOH D 4 .   ? -17.313 -10.204 17.231  1.000 10.572 0 557 HOH A O   1 ? 
HETATM 1797 O  O   . HOH D 4 .   ? -9.980  -25.348 29.162  1.000 13.948 0 558 HOH A O   1 ? 
HETATM 1798 O  O   . HOH D 4 .   ? -6.097  -35.665 7.618   1.000 19.480 0 559 HOH A O   1 ? 
HETATM 1799 O  O   . HOH D 4 .   ? 14.861  -22.677 -7.905  1.000 6.075  0 560 HOH A O   1 ? 
HETATM 1800 O  O   . HOH D 4 .   ? 3.663   -11.844 6.918   1.000 29.562 0 561 HOH A O   1 ? 
HETATM 1801 O  O   . HOH D 4 .   ? 20.665  -15.949 13.222  1.000 36.113 0 562 HOH A O   1 ? 
HETATM 1802 O  O   . HOH D 4 .   ? -3.298  -25.336 30.695  1.000 10.244 0 563 HOH A O   1 ? 
HETATM 1803 O  O   . HOH D 4 .   ? 7.922   -15.258 -4.164  1.000 7.805  0 564 HOH A O   1 ? 
HETATM 1804 O  O   . HOH D 4 .   ? -2.897  -8.480  27.399  1.000 16.667 0 565 HOH A O   1 ? 
HETATM 1805 O  O   . HOH D 4 .   ? 5.722   -36.845 15.154  1.000 18.707 0 566 HOH A O   1 ? 
HETATM 1806 O  O   . HOH D 4 .   ? -5.184  -35.745 23.413  1.000 22.902 0 567 HOH A O   1 ? 
HETATM 1807 O  O   . HOH D 4 .   ? -19.509 -26.020 13.313  1.000 15.230 0 568 HOH A O   1 ? 
HETATM 1808 O  O   . HOH D 4 .   ? 19.432  -15.239 11.640  1.000 36.371 0 569 HOH A O   1 ? 
HETATM 1809 O  O   . HOH D 4 .   ? -0.857  -17.742 17.219  1.000 5.100  0 570 HOH A O   1 ? 
HETATM 1810 O  O   . HOH D 4 .   ? -20.530 -23.603 16.065  1.000 34.236 0 571 HOH A O   1 ? 
HETATM 1811 O  O   . HOH D 4 .   ? -5.215  -33.511 27.091  1.000 33.478 0 572 HOH A O   1 ? 
HETATM 1812 O  O   . HOH D 4 .   ? 15.916  -28.438 13.288  1.000 12.503 0 573 HOH A O   1 ? 
HETATM 1813 O  O   . HOH D 4 .   ? -3.915  -7.932  -6.497  1.000 34.356 0 574 HOH A O   1 ? 
HETATM 1814 O  O   . HOH D 4 .   ? -11.279 -16.219 16.213  1.000 4.147  0 575 HOH A O   1 ? 
HETATM 1815 O  O   . HOH D 4 .   ? -2.352  -8.352  23.880  1.000 16.875 0 576 HOH A O   1 ? 
HETATM 1816 O  O   . HOH D 4 .   ? 11.079  -35.441 -3.801  1.000 27.287 0 577 HOH A O   1 ? 
HETATM 1817 O  O   . HOH D 4 .   ? -19.936 -22.752 11.737  1.000 8.284  0 578 HOH A O   1 ? 
HETATM 1818 O  O   . HOH D 4 .   ? -21.393 -14.511 14.403  1.000 26.703 0 579 HOH A O   1 ? 
HETATM 1819 O  O   . HOH D 4 .   ? -14.288 -29.062 -3.266  1.000 24.090 0 580 HOH A O   1 ? 
HETATM 1820 O  O   . HOH D 4 .   ? -1.862  -23.339 31.729  1.000 20.825 0 581 HOH A O   1 ? 
HETATM 1821 O  O   . HOH D 4 .   ? -7.313  -37.638 10.119  1.000 26.782 0 582 HOH A O   1 ? 
HETATM 1822 O  O   . HOH D 4 .   ? -7.943  -16.805 -10.700 1.000 32.353 0 583 HOH A O   1 ? 
HETATM 1823 O  O   . HOH D 4 .   ? -16.856 -29.434 15.044  1.000 26.949 0 584 HOH A O   1 ? 
HETATM 1824 O  O   . HOH D 4 .   ? -9.716  -28.400 -11.820 1.000 19.023 0 585 HOH A O   1 ? 
HETATM 1825 O  O   . HOH D 4 .   ? -15.813 -21.051 -8.936  1.000 28.496 0 586 HOH A O   1 ? 
HETATM 1826 O  O   . HOH D 4 .   ? -11.007 -34.151 20.458  1.000 19.468 0 587 HOH A O   1 ? 
HETATM 1827 O  O   . HOH D 4 .   ? -5.409  -35.939 0.497   1.000 10.907 0 588 HOH A O   1 ? 
HETATM 1828 O  O   . HOH D 4 .   ? -19.342 -16.254 17.862  1.000 15.479 0 589 HOH A O   1 ? 
HETATM 1829 O  O   . HOH D 4 .   ? -15.512 -26.337 23.579  1.000 20.886 0 590 HOH A O   1 ? 
HETATM 1830 O  O   . HOH D 4 .   ? 1.151   -8.969  17.308  1.000 25.159 0 591 HOH A O   1 ? 
HETATM 1831 O  O   . HOH D 4 .   ? 0.916   -8.387  -5.029  1.000 30.816 0 592 HOH A O   1 ? 
HETATM 1832 O  O   . HOH D 4 .   ? -22.283 -11.082 10.142  1.000 14.510 0 593 HOH A O   1 ? 
HETATM 1833 O  O   . HOH D 4 .   ? -17.231 -15.054 23.296  1.000 22.146 0 594 HOH A O   1 ? 
HETATM 1834 O  O   . HOH D 4 .   ? -6.616  -6.837  -7.313  1.000 41.629 0 595 HOH A O   1 ? 
HETATM 1835 O  O   . HOH D 4 .   ? -6.775  -9.691  19.518  1.000 20.903 0 596 HOH A O   1 ? 
HETATM 1836 O  O   . HOH D 4 .   ? -18.114 -14.273 20.002  1.000 29.241 0 597 HOH A O   1 ? 
HETATM 1837 O  O   . HOH D 4 .   ? -13.285 -10.691 24.462  1.000 17.479 0 598 HOH A O   1 ? 
HETATM 1838 O  O   . HOH D 4 .   ? 2.449   -12.172 -7.499  1.000 27.111 0 599 HOH A O   1 ? 
HETATM 1839 O  O   . HOH D 4 .   ? -12.123 -35.881 6.492   1.000 24.616 0 600 HOH A O   1 ? 
HETATM 1840 O  O   . HOH D 4 .   ? 9.573   -34.287 12.165  1.000 35.490 0 601 HOH A O   1 ? 
HETATM 1841 O  O   . HOH D 4 .   ? -4.174  -15.776 -12.565 1.000 36.459 0 602 HOH A O   1 ? 
HETATM 1842 O  O   . HOH D 4 .   ? -22.771 -28.487 4.267   1.000 32.953 0 603 HOH A O   1 ? 
HETATM 1843 O  O   . HOH D 4 .   ? 3.886   -31.563 -8.763  1.000 36.434 0 604 HOH A O   1 ? 
HETATM 1844 O  O   . HOH D 4 .   ? 4.323   -34.332 25.878  1.000 35.827 0 605 HOH A O   1 ? 
HETATM 1845 O  O   . HOH D 4 .   ? -8.114  -5.040  8.806   1.000 43.414 0 606 HOH A O   1 ? 
HETATM 1846 O  O   . HOH D 4 .   ? -3.835  -18.936 -13.352 1.000 27.266 0 607 HOH A O   1 ? 
HETATM 1847 O  O   . HOH D 4 .   ? 0.795   -15.701 -10.616 1.000 29.176 0 608 HOH A O   1 ? 
HETATM 1848 O  O   . HOH D 4 .   ? -9.468  -33.843 23.218  1.000 21.615 0 609 HOH A O   1 ? 
HETATM 1849 O  O   . HOH D 4 .   ? 12.916  -23.057 23.892  1.000 34.060 0 610 HOH A O   1 ? 
HETATM 1850 O  O   . HOH D 4 .   ? -16.179 -6.060  19.118  1.000 15.206 0 611 HOH A O   1 ? 
HETATM 1851 O  O   . HOH D 4 .   ? -4.592  -28.174 -13.215 1.000 32.256 0 612 HOH A O   1 ? 
HETATM 1852 O  O   . HOH D 4 .   ? 3.114   -15.573 -9.347  1.000 20.762 0 613 HOH A O   1 ? 
HETATM 1853 O  O   . HOH D 4 .   ? -2.016  -38.502 1.748   1.000 21.122 0 614 HOH A O   1 ? 
HETATM 1854 O  O   . HOH D 4 .   ? 12.627  -31.103 -1.265  1.000 18.121 0 615 HOH A O   1 ? 
HETATM 1855 O  O   . HOH D 4 .   ? -24.573 -25.064 7.234   1.000 43.111 0 616 HOH A O   1 ? 
HETATM 1856 O  O   . HOH D 4 .   ? -20.705 -9.009  11.496  1.000 23.246 0 617 HOH A O   1 ? 
HETATM 1857 O  O   . HOH D 4 .   ? -1.279  -8.589  21.262  1.000 13.614 0 618 HOH A O   1 ? 
HETATM 1858 O  O   . HOH D 4 .   ? -0.081  -26.680 -10.642 1.000 33.431 0 619 HOH A O   1 ? 
HETATM 1859 O  O   . HOH D 4 .   ? -20.948 -9.937  14.035  1.000 21.334 0 620 HOH A O   1 ? 
HETATM 1860 O  O   . HOH D 4 .   ? -14.944 -9.897  20.393  1.000 18.416 0 621 HOH A O   1 ? 
HETATM 1861 O  O   . HOH D 4 .   ? -8.440  -37.488 2.752   1.000 27.699 0 622 HOH A O   1 ? 
HETATM 1862 O  O   . HOH D 4 .   ? 9.966   -20.687 -6.223  1.000 10.820 0 623 HOH A O   1 ? 
HETATM 1863 O  O   . HOH D 4 .   ? -9.408  -14.250 33.502  1.000 32.211 0 624 HOH A O   1 ? 
HETATM 1864 O  O   . HOH D 4 .   ? -7.745  -36.798 -0.459  1.000 23.568 0 625 HOH A O   1 ? 
HETATM 1865 O  O   . HOH D 4 .   ? -6.729  -4.102  11.445  1.000 24.505 0 626 HOH A O   1 ? 
HETATM 1866 O  O   . HOH D 4 .   ? -7.563  -33.803 20.188  1.000 21.686 0 627 HOH A O   1 ? 
HETATM 1867 O  O   . HOH D 4 .   ? -4.765  -36.204 -9.714  1.000 30.666 0 628 HOH A O   1 ? 
HETATM 1868 O  O   . HOH D 4 .   ? 15.194  -31.196 -3.041  1.000 30.830 0 629 HOH A O   1 ? 
HETATM 1869 O  O   . HOH D 4 .   ? -18.686 -7.429  10.902  1.000 25.672 0 630 HOH A O   1 ? 
HETATM 1870 O  O   . HOH D 4 .   ? -17.040 -11.227 21.436  1.000 21.351 0 631 HOH A O   1 ? 
HETATM 1871 O  O   . HOH D 4 .   ? -10.030 -35.055 -4.217  1.000 21.259 0 632 HOH A O   1 ? 
HETATM 1872 O  O   . HOH D 4 .   ? -12.729 -9.522  22.079  1.000 10.453 0 633 HOH A O   1 ? 
HETATM 1873 O  O   . HOH D 4 .   ? -14.922 -4.930  12.012  1.000 22.993 0 634 HOH A O   1 ? 
HETATM 1874 O  O   . HOH D 4 .   ? -17.219 -5.606  12.450  1.000 26.052 0 635 HOH A O   1 ? 
HETATM 1875 O  O   . HOH D 4 .   ? -14.065 -3.299  11.630  1.000 27.943 0 636 HOH A O   1 ? 
HETATM 1876 O  O   . HOH D 4 .   ? 6.331   -32.516 25.025  1.000 30.797 0 637 HOH A O   1 ? 
HETATM 1877 O  O   . HOH D 4 .   ? -13.640 -31.470 4.911   1.000 37.628 0 638 HOH A O   1 ? 
HETATM 1878 O  O   . HOH D 4 .   ? 3.302   -37.304 15.856  1.000 21.744 0 639 HOH A O   1 ? 
HETATM 1879 O  O   . HOH D 4 .   ? -0.912  -40.664 0.887   1.000 31.634 0 640 HOH A O   1 ? 
HETATM 1880 O  O   . HOH D 4 .   ? -2.076  -10.122 -8.541  1.000 30.941 0 641 HOH A O   1 ? 
HETATM 1881 O  O   . HOH D 4 .   ? -21.755 -19.072 9.964   1.000 27.060 0 642 HOH A O   1 ? 
HETATM 1882 O  O   . HOH D 4 .   ? 1.258   -30.149 28.801  1.000 19.517 0 643 HOH A O   1 ? 
HETATM 1883 O  O   . HOH D 4 .   ? -15.740 -12.258 24.103  1.000 32.985 0 644 HOH A O   1 ? 
HETATM 1884 O  O   . HOH D 4 .   ? 14.380  -32.904 13.768  1.000 11.607 0 645 HOH A O   1 ? 
HETATM 1885 O  O   . HOH D 4 .   ? 4.928   -34.691 13.674  1.000 27.192 0 646 HOH A O   1 ? 
HETATM 1886 O  O   . HOH D 4 .   ? -11.257 -18.106 33.256  1.000 25.575 0 647 HOH A O   1 ? 
HETATM 1887 O  O   . HOH D 4 .   ? -9.161  -31.007 -11.798 1.000 26.252 0 648 HOH A O   1 ? 
HETATM 1888 O  O   . HOH D 4 .   ? 12.916  -28.808 -10.878 1.000 30.085 0 649 HOH A O   1 ? 
HETATM 1889 O  O   . HOH D 4 .   ? -7.393  -18.524 37.802  1.000 46.149 0 650 HOH A O   1 ? 
HETATM 1890 O  O   . HOH D 4 .   ? -22.237 -22.329 12.529  1.000 31.761 0 651 HOH A O   1 ? 
HETATM 1891 O  O   . HOH D 4 .   ? 2.608   -34.139 19.503  1.000 27.286 0 652 HOH A O   1 ? 
HETATM 1892 O  O   . HOH D 4 .   ? 12.475  -34.423 -0.651  1.000 29.961 0 653 HOH A O   1 ? 
HETATM 1893 O  O   . HOH D 4 .   ? -9.099  -7.520  21.984  1.000 16.791 0 654 HOH A O   1 ? 
HETATM 1894 O  O   . HOH D 4 .   ? 5.652   -30.108 -11.746 1.000 41.296 0 655 HOH A O   1 ? 
HETATM 1895 O  O   . HOH D 4 .   ? 2.623   -34.508 15.234  1.000 22.646 0 656 HOH A O   1 ? 
HETATM 1896 O  O   . HOH D 4 .   ? 16.015  -29.283 16.114  1.000 26.871 0 657 HOH A O   1 ? 
HETATM 1897 O  O   . HOH D 4 .   ? 9.972   -28.330 -11.044 1.000 24.235 0 658 HOH A O   1 ? 
HETATM 1898 O  O   . HOH D 4 .   ? -12.692 -24.864 29.283  1.000 23.560 0 659 HOH A O   1 ? 
HETATM 1899 O  O   . HOH D 4 .   ? -1.959  -19.052 34.452  1.000 36.967 0 660 HOH A O   1 ? 
HETATM 1900 O  O   . HOH D 4 .   ? -13.950 -24.120 31.347  1.000 30.630 0 661 HOH A O   1 ? 
HETATM 1901 O  O   . HOH D 4 .   ? 0.555   -27.427 29.144  1.000 11.433 0 662 HOH A O   1 ? 
HETATM 1902 O  O   . HOH D 4 .   ? -9.671  -26.267 32.721  1.000 27.170 0 663 HOH A O   1 ? 
HETATM 1903 O  O   . HOH D 4 .   ? -12.780 -20.392 34.909  1.000 28.108 0 664 HOH A O   1 ? 
HETATM 1904 O  O   . HOH D 4 .   ? 0.595   -34.706 13.230  1.000 17.613 0 665 HOH A O   1 ? 
HETATM 1905 O  O   . HOH D 4 .   ? 6.804   -24.406 -10.108 1.000 35.320 0 666 HOH A O   1 ? 
HETATM 1906 O  O   . HOH D 4 .   ? 5.158   -32.334 -11.849 1.000 30.425 0 667 HOH A O   1 ? 
HETATM 1907 O  O   . HOH D 4 .   ? -7.673  -37.543 -2.951  1.000 38.653 0 668 HOH A O   1 ? 
# 
