data_9AWH
# 
_entry.id   9AWH 
# 
_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   9AWH         pdb_00009awh 10.2210/pdb9awh/pdb 
WWPDB D_1000282181 ?            ?                   
# 
_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                        9AWH 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-05 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 3 
_pdbx_contact_author.email              luismauriciolima@gmail.com 
_pdbx_contact_author.name_first         Luis 
_pdbx_contact_author.name_last          Lima 
_pdbx_contact_author.name_mi            T.R. 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-6020-0504 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Lima, L.M.T.R.'    1 0000-0001-6020-0504 
'de Sa Ribeiro, F.' 2 0000-0002-8521-6745 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Crystal structure of trypsin at 200 Kelvin with benzamidine (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    224 ?        ? ? ? 
# 
_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   401 154 HOH HOH A . 
D 4 HOH 2   402 222 HOH HOH A . 
D 4 HOH 3   403 92  HOH HOH A . 
D 4 HOH 4   404 200 HOH HOH A . 
D 4 HOH 5   405 197 HOH HOH A . 
D 4 HOH 6   406 69  HOH HOH A . 
D 4 HOH 7   407 82  HOH HOH A . 
D 4 HOH 8   408 189 HOH HOH A . 
D 4 HOH 9   409 58  HOH HOH A . 
D 4 HOH 10  410 8   HOH HOH A . 
D 4 HOH 11  411 172 HOH HOH A . 
D 4 HOH 12  412 140 HOH HOH A . 
D 4 HOH 13  413 108 HOH HOH A . 
D 4 HOH 14  414 166 HOH HOH A . 
D 4 HOH 15  415 75  HOH HOH A . 
D 4 HOH 16  416 145 HOH HOH A . 
D 4 HOH 17  417 181 HOH HOH A . 
D 4 HOH 18  418 91  HOH HOH A . 
D 4 HOH 19  419 11  HOH HOH A . 
D 4 HOH 20  420 46  HOH HOH A . 
D 4 HOH 21  421 47  HOH HOH A . 
D 4 HOH 22  422 179 HOH HOH A . 
D 4 HOH 23  423 121 HOH HOH A . 
D 4 HOH 24  424 87  HOH HOH A . 
D 4 HOH 25  425 210 HOH HOH A . 
D 4 HOH 26  426 135 HOH HOH A . 
D 4 HOH 27  427 33  HOH HOH A . 
D 4 HOH 28  428 168 HOH HOH A . 
D 4 HOH 29  429 104 HOH HOH A . 
D 4 HOH 30  430 37  HOH HOH A . 
D 4 HOH 31  431 39  HOH HOH A . 
D 4 HOH 32  432 40  HOH HOH A . 
D 4 HOH 33  433 134 HOH HOH A . 
D 4 HOH 34  434 170 HOH HOH A . 
D 4 HOH 35  435 12  HOH HOH A . 
D 4 HOH 36  436 155 HOH HOH A . 
D 4 HOH 37  437 159 HOH HOH A . 
D 4 HOH 38  438 26  HOH HOH A . 
D 4 HOH 39  439 95  HOH HOH A . 
D 4 HOH 40  440 7   HOH HOH A . 
D 4 HOH 41  441 74  HOH HOH A . 
D 4 HOH 42  442 31  HOH HOH A . 
D 4 HOH 43  443 13  HOH HOH A . 
D 4 HOH 44  444 36  HOH HOH A . 
D 4 HOH 45  445 54  HOH HOH A . 
D 4 HOH 46  446 44  HOH HOH A . 
D 4 HOH 47  447 85  HOH HOH A . 
D 4 HOH 48  448 22  HOH HOH A . 
D 4 HOH 49  449 29  HOH HOH A . 
D 4 HOH 50  450 27  HOH HOH A . 
D 4 HOH 51  451 72  HOH HOH A . 
D 4 HOH 52  452 100 HOH HOH A . 
D 4 HOH 53  453 78  HOH HOH A . 
D 4 HOH 54  454 149 HOH HOH A . 
D 4 HOH 55  455 63  HOH HOH A . 
D 4 HOH 56  456 212 HOH HOH A . 
D 4 HOH 57  457 158 HOH HOH A . 
D 4 HOH 58  458 34  HOH HOH A . 
D 4 HOH 59  459 93  HOH HOH A . 
D 4 HOH 60  460 17  HOH HOH A . 
D 4 HOH 61  461 122 HOH HOH A . 
D 4 HOH 62  462 52  HOH HOH A . 
D 4 HOH 63  463 143 HOH HOH A . 
D 4 HOH 64  464 24  HOH HOH A . 
D 4 HOH 65  465 60  HOH HOH A . 
D 4 HOH 66  466 43  HOH HOH A . 
D 4 HOH 67  467 163 HOH HOH A . 
D 4 HOH 68  468 65  HOH HOH A . 
D 4 HOH 69  469 211 HOH HOH A . 
D 4 HOH 70  470 66  HOH HOH A . 
D 4 HOH 71  471 32  HOH HOH A . 
D 4 HOH 72  472 215 HOH HOH A . 
D 4 HOH 73  473 56  HOH HOH A . 
D 4 HOH 74  474 10  HOH HOH A . 
D 4 HOH 75  475 136 HOH HOH A . 
D 4 HOH 76  476 23  HOH HOH A . 
D 4 HOH 77  477 193 HOH HOH A . 
D 4 HOH 78  478 142 HOH HOH A . 
D 4 HOH 79  479 115 HOH HOH A . 
D 4 HOH 80  480 59  HOH HOH A . 
D 4 HOH 81  481 9   HOH HOH A . 
D 4 HOH 82  482 110 HOH HOH A . 
D 4 HOH 83  483 105 HOH HOH A . 
D 4 HOH 84  484 79  HOH HOH A . 
D 4 HOH 85  485 185 HOH HOH A . 
D 4 HOH 86  486 147 HOH HOH A . 
D 4 HOH 87  487 41  HOH HOH A . 
D 4 HOH 88  488 16  HOH HOH A . 
D 4 HOH 89  489 117 HOH HOH A . 
D 4 HOH 90  490 38  HOH HOH A . 
D 4 HOH 91  491 86  HOH HOH A . 
D 4 HOH 92  492 57  HOH HOH A . 
D 4 HOH 93  493 216 HOH HOH A . 
D 4 HOH 94  494 180 HOH HOH A . 
D 4 HOH 95  495 102 HOH HOH A . 
D 4 HOH 96  496 61  HOH HOH A . 
D 4 HOH 97  497 21  HOH HOH A . 
D 4 HOH 98  498 167 HOH HOH A . 
D 4 HOH 99  499 55  HOH HOH A . 
D 4 HOH 100 500 28  HOH HOH A . 
D 4 HOH 101 501 103 HOH HOH A . 
D 4 HOH 102 502 19  HOH HOH A . 
D 4 HOH 103 503 90  HOH HOH A . 
D 4 HOH 104 504 118 HOH HOH A . 
D 4 HOH 105 505 18  HOH HOH A . 
D 4 HOH 106 506 195 HOH HOH A . 
D 4 HOH 107 507 42  HOH HOH A . 
D 4 HOH 108 508 206 HOH HOH A . 
D 4 HOH 109 509 109 HOH HOH A . 
D 4 HOH 110 510 129 HOH HOH A . 
D 4 HOH 111 511 119 HOH HOH A . 
D 4 HOH 112 512 3   HOH HOH A . 
D 4 HOH 113 513 116 HOH HOH A . 
D 4 HOH 114 514 53  HOH HOH A . 
D 4 HOH 115 515 64  HOH HOH A . 
D 4 HOH 116 516 125 HOH HOH A . 
D 4 HOH 117 517 25  HOH HOH A . 
D 4 HOH 118 518 80  HOH HOH A . 
D 4 HOH 119 519 71  HOH HOH A . 
D 4 HOH 120 520 164 HOH HOH A . 
D 4 HOH 121 521 89  HOH HOH A . 
D 4 HOH 122 522 207 HOH HOH A . 
D 4 HOH 123 523 113 HOH HOH A . 
D 4 HOH 124 524 51  HOH HOH A . 
D 4 HOH 125 525 84  HOH HOH A . 
D 4 HOH 126 526 106 HOH HOH A . 
D 4 HOH 127 527 97  HOH HOH A . 
D 4 HOH 128 528 139 HOH HOH A . 
D 4 HOH 129 529 14  HOH HOH A . 
D 4 HOH 130 530 49  HOH HOH A . 
D 4 HOH 131 531 35  HOH HOH A . 
D 4 HOH 132 532 81  HOH HOH A . 
D 4 HOH 133 533 67  HOH HOH A . 
D 4 HOH 134 534 174 HOH HOH A . 
D 4 HOH 135 535 83  HOH HOH A . 
D 4 HOH 136 536 127 HOH HOH A . 
D 4 HOH 137 537 30  HOH HOH A . 
D 4 HOH 138 538 5   HOH HOH A . 
D 4 HOH 139 539 130 HOH HOH A . 
D 4 HOH 140 540 4   HOH HOH A . 
D 4 HOH 141 541 133 HOH HOH A . 
D 4 HOH 142 542 50  HOH HOH A . 
D 4 HOH 143 543 88  HOH HOH A . 
D 4 HOH 144 544 161 HOH HOH A . 
D 4 HOH 145 545 15  HOH HOH A . 
D 4 HOH 146 546 96  HOH HOH A . 
D 4 HOH 147 547 73  HOH HOH A . 
D 4 HOH 148 548 48  HOH HOH A . 
D 4 HOH 149 549 2   HOH HOH A . 
D 4 HOH 150 550 199 HOH HOH A . 
D 4 HOH 151 551 70  HOH HOH A . 
D 4 HOH 152 552 126 HOH HOH A . 
D 4 HOH 153 553 94  HOH HOH A . 
D 4 HOH 154 554 187 HOH HOH A . 
D 4 HOH 155 555 1   HOH HOH A . 
D 4 HOH 156 556 160 HOH HOH A . 
D 4 HOH 157 557 68  HOH HOH A . 
D 4 HOH 158 558 214 HOH HOH A . 
D 4 HOH 159 559 178 HOH HOH A . 
D 4 HOH 160 560 111 HOH HOH A . 
D 4 HOH 161 561 6   HOH HOH A . 
D 4 HOH 162 562 152 HOH HOH A . 
D 4 HOH 163 563 120 HOH HOH A . 
D 4 HOH 164 564 20  HOH HOH A . 
D 4 HOH 165 565 76  HOH HOH A . 
D 4 HOH 166 566 196 HOH HOH A . 
D 4 HOH 167 567 144 HOH HOH A . 
D 4 HOH 168 568 132 HOH HOH A . 
D 4 HOH 169 569 124 HOH HOH A . 
D 4 HOH 170 570 131 HOH HOH A . 
D 4 HOH 171 571 128 HOH HOH A . 
D 4 HOH 172 572 202 HOH HOH A . 
D 4 HOH 173 573 169 HOH HOH A . 
D 4 HOH 174 574 221 HOH HOH A . 
D 4 HOH 175 575 205 HOH HOH A . 
D 4 HOH 176 576 175 HOH HOH A . 
D 4 HOH 177 577 198 HOH HOH A . 
D 4 HOH 178 578 219 HOH HOH A . 
D 4 HOH 179 579 192 HOH HOH A . 
D 4 HOH 180 580 99  HOH HOH A . 
D 4 HOH 181 581 224 HOH HOH A . 
D 4 HOH 182 582 171 HOH HOH A . 
D 4 HOH 183 583 182 HOH HOH A . 
D 4 HOH 184 584 184 HOH HOH A . 
D 4 HOH 185 585 138 HOH HOH A . 
D 4 HOH 186 586 177 HOH HOH A . 
D 4 HOH 187 587 165 HOH HOH A . 
D 4 HOH 188 588 223 HOH HOH A . 
D 4 HOH 189 589 190 HOH HOH A . 
D 4 HOH 190 590 220 HOH HOH A . 
D 4 HOH 191 591 186 HOH HOH A . 
D 4 HOH 192 592 217 HOH HOH A . 
D 4 HOH 193 593 77  HOH HOH A . 
D 4 HOH 194 594 150 HOH HOH A . 
D 4 HOH 195 595 123 HOH HOH A . 
D 4 HOH 196 596 62  HOH HOH A . 
D 4 HOH 197 597 156 HOH HOH A . 
D 4 HOH 198 598 98  HOH HOH A . 
D 4 HOH 199 599 146 HOH HOH A . 
D 4 HOH 200 600 151 HOH HOH A . 
D 4 HOH 201 601 218 HOH HOH A . 
D 4 HOH 202 602 112 HOH HOH A . 
D 4 HOH 203 603 107 HOH HOH A . 
D 4 HOH 204 604 208 HOH HOH A . 
D 4 HOH 205 605 201 HOH HOH A . 
D 4 HOH 206 606 141 HOH HOH A . 
D 4 HOH 207 607 194 HOH HOH A . 
D 4 HOH 208 608 157 HOH HOH A . 
D 4 HOH 209 609 203 HOH HOH A . 
D 4 HOH 210 610 204 HOH HOH A . 
D 4 HOH 211 611 213 HOH HOH A . 
D 4 HOH 212 612 176 HOH HOH A . 
D 4 HOH 213 613 188 HOH HOH A . 
D 4 HOH 214 614 114 HOH HOH A . 
D 4 HOH 215 615 148 HOH HOH A . 
D 4 HOH 216 616 183 HOH HOH A . 
D 4 HOH 217 617 173 HOH HOH A . 
D 4 HOH 218 618 209 HOH HOH A . 
D 4 HOH 219 619 162 HOH HOH A . 
D 4 HOH 220 620 137 HOH HOH A . 
D 4 HOH 221 621 101 HOH HOH A . 
D 4 HOH 222 622 191 HOH HOH A . 
D 4 HOH 223 623 153 HOH HOH A . 
D 4 HOH 224 624 45  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                     9AWH 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     54.157 
_cell.length_a_esd                 ? 
_cell.length_b                     58.568 
_cell.length_b_esd                 ? 
_cell.length_c                     67.056 
_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                         9AWH 
_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                   9AWH 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.28 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          46.05 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              9.4 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     200 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     CMOS 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'BRUKER PHOTON 100' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-11-05 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             '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                                       9AWH 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.497 
_reflns.d_resolution_low                               23.088 
_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                                     34816 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.33 
_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                          13.650 
_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                                   0.801 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.5 
_reflns_shell.d_res_low                                     23.07 
_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                             1714 
_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                                  0.801 
_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]                            0.065 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            0.077 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            -0.141 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               10.978 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.959 
_refine.correlation_coeff_Fo_to_Fc_free          0.951 
_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                                 9AWH 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.497 
_refine.ls_d_res_low                             23.088 
_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                     34816 
_refine.ls_number_reflns_R_free                  1714 
_refine.ls_number_reflns_R_work                  33102 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.335 
_refine.ls_percent_reflns_R_free                 4.923 
_refine.ls_R_factor_all                          0.180 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1998 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1793 
_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                      0.185 
_refine.ls_wR_factor_R_work                      0.168 
_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                       0.074 
_refine.pdbx_overall_ESU_R_Free                  0.072 
_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                             1.272 
_refine.overall_SU_ML                            0.047 
_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                    0.9768 
_refine.pdbx_average_fsc_free                    0.9700 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.497 
_refine_hist.d_res_low                        23.088 
_refine_hist.number_atoms_solvent             224 
_refine_hist.number_atoms_total               1863 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1629 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         10 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.011  0.012  1669 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1540 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.803  1.758  2263 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.656  1.726  3563 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.958  5.000  222  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 11.534 5.000  3    ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 1.367  5.000  1    ? r_dihedral_angle_other_2_deg   ? ? 
'X-RAY DIFFRACTION' ? 11.342 10.000 269  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.856 10.000 58   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.100  0.200  254  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.011  0.020  1978 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  366  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.221  0.200  291  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.204  0.200  1427 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.178  0.200  837  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.088  0.200  932  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.327  0.200  130  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.120  0.200  4    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.323  0.200  8    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.182  0.200  30   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.301  0.200  20   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 0.164  0.200  1    ? r_xyhbond_nbd_other            ? ? 
'X-RAY DIFFRACTION' ? 1.180  1.014  891  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.176  1.014  891  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 1.771  1.826  1112 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 1.770  1.826  1113 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.415  1.207  778  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.414  1.206  779  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.557  2.100  1151 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.557  2.100  1151 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.090  13.924 1904 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.646  12.115 1842 ? r_lrange_other                 ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.497 1.536  2555 . 129 2290 94.6771  . 0.298 . . 0.297 . . . . . 0.255 . 20 . 0.943 0.942 0.306 
'X-RAY DIFFRACTION' 1.536 1.578  2470 . 128 2308 98.6235  . 0.255 . . 0.254 . . . . . 0.218 . 20 . 0.959 0.948 0.285 
'X-RAY DIFFRACTION' 1.578 1.623  2414 . 105 2293 99.3372  . 0.224 . . 0.224 . . . . . 0.189 . 20 . 0.969 0.966 0.228 
'X-RAY DIFFRACTION' 1.623 1.673  2341 . 126 2209 99.7437  . 0.185 . . 0.182 . . . . . 0.154 . 20 . 0.979 0.965 0.231 
'X-RAY DIFFRACTION' 1.673 1.728  2270 . 128 2139 99.8678  . 0.177 . . 0.174 . . . . . 0.150 . 20 . 0.980 0.972 0.215 
'X-RAY DIFFRACTION' 1.728 1.788  2203 . 113 2090 100.0000 . 0.169 . . 0.167 . . . . . 0.141 . 20 . 0.983 0.974 0.211 
'X-RAY DIFFRACTION' 1.788 1.855  2154 . 112 2041 99.9536  . 0.178 . . 0.176 . . . . . 0.149 . 20 . 0.982 0.973 0.205 
'X-RAY DIFFRACTION' 1.855 1.930  2039 . 107 1929 99.8529  . 0.166 . . 0.164 . . . . . 0.142 . 20 . 0.983 0.973 0.204 
'X-RAY DIFFRACTION' 1.930 2.015  1971 . 99  1872 100.0000 . 0.158 . . 0.157 . . . . . 0.139 . 20 . 0.985 0.979 0.188 
'X-RAY DIFFRACTION' 2.015 2.113  1892 . 91  1798 99.8414  . 0.165 . . 0.165 . . . . . 0.150 . 20 . 0.984 0.982 0.168 
'X-RAY DIFFRACTION' 2.113 2.226  1808 . 72  1736 100.0000 . 0.172 . . 0.171 . . . . . 0.155 . 20 . 0.982 0.981 0.188 
'X-RAY DIFFRACTION' 2.226 2.360  1708 . 83  1624 99.9415  . 0.176 . . 0.175 . . . . . 0.159 . 20 . 0.981 0.974 0.195 
'X-RAY DIFFRACTION' 2.360 2.521  1608 . 72  1536 100.0000 . 0.168 . . 0.168 . . . . . 0.156 . 20 . 0.982 0.981 0.183 
'X-RAY DIFFRACTION' 2.521 2.720  1512 . 75  1435 99.8677  . 0.168 . . 0.166 . . . . . 0.156 . 20 . 0.983 0.974 0.202 
'X-RAY DIFFRACTION' 2.720 2.976  1410 . 48  1362 100.0000 . 0.182 . . 0.180 . . . . . 0.176 . 20 . 0.979 0.967 0.214 
'X-RAY DIFFRACTION' 2.976 3.320  1279 . 53  1226 100.0000 . 0.175 . . 0.174 . . . . . 0.173 . 20 . 0.982 0.975 0.193 
'X-RAY DIFFRACTION' 3.320 3.821  1129 . 55  1073 99.9114  . 0.167 . . 0.166 . . . . . 0.170 . 20 . 0.983 0.976 0.188 
'X-RAY DIFFRACTION' 3.821 4.648  975  . 65  910  100.0000 . 0.142 . . 0.142 . . . . . 0.156 . 20 . 0.988 0.988 0.139 
'X-RAY DIFFRACTION' 4.648 6.444  788  . 27  761  100.0000 . 0.213 . . 0.211 . . . . . 0.228 . 20 . 0.980 0.972 0.252 
'X-RAY DIFFRACTION' 6.444 23.088 497  . 26  470  99.7988  . 0.218 . . 0.220 . . . . . 0.246 . 20 . 0.971 0.982 0.186 
# 
_struct.entry_id                     9AWH 
_struct.title                        'Crystal structure of trypsin at 200 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        9AWH 
_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              9AWH 
_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 ? ? ? ? ? ? ? 2.058 ? ? 
disulf2 disulf ? ? A CYS 25  SG  ? ? ? 1_555 A CYS 41  SG ? ? A CYS 25  A CYS 41  1_555 ? ? ? ? ? ? ? 2.036 ? ? 
disulf3 disulf ? ? A CYS 109 SG  ? ? ? 1_555 A CYS 210 SG ? ? A CYS 109 A CYS 210 1_555 ? ? ? ? ? ? ? 2.052 ? ? 
disulf4 disulf ? ? A CYS 116 SG  ? ? ? 1_555 A CYS 183 SG ? ? A CYS 116 A CYS 183 1_555 ? ? ? ? ? ? ? 2.028 ? ? 
disulf5 disulf ? ? A CYS 148 SG  ? ? ? 1_555 A CYS 162 SG ? ? A CYS 148 A CYS 162 1_555 ? ? ? ? ? ? ? 1.993 ? ? 
disulf6 disulf ? ? A CYS 173 SG  ? ? ? 1_555 A CYS 197 SG ? ? A CYS 173 A CYS 197 1_555 ? ? ? ? ? ? ? 2.018 ? ? 
metalc1 metalc ? ? A GLU 52  OE1 ? ? ? 1_555 B CA  .   CA ? ? A GLU 52  A CA  301 1_555 ? ? ? ? ? ? ? 2.281 ? ? 
metalc2 metalc ? ? A ASN 54  O   ? ? ? 1_555 B CA  .   CA ? ? A ASN 54  A CA  301 1_555 ? ? ? ? ? ? ? 2.315 ? ? 
metalc3 metalc ? ? A VAL 57  O   ? ? ? 1_555 B CA  .   CA ? ? A VAL 57  A CA  301 1_555 ? ? ? ? ? ? ? 2.287 ? ? 
metalc4 metalc ? ? A GLU 62  OE2 ? ? ? 1_555 B CA  .   CA ? ? A GLU 62  A CA  301 1_555 ? ? ? ? ? ? ? 2.324 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1 OE1 ? A GLU 52 ? A GLU 52 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A ASN 54 ? A ASN 54 ? 1_555 91.3  ? 
2 OE1 ? A GLU 52 ? A GLU 52 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57 ? 1_555 166.1 ? 
3 O   ? A ASN 54 ? A ASN 54 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57 ? 1_555 80.8  ? 
4 OE1 ? A GLU 52 ? A GLU 52 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62 ? 1_555 102.2 ? 
5 O   ? A ASN 54 ? A ASN 54 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62 ? 1_555 159.2 ? 
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 88.7  ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 7   ? CYS A 137 ? CYS A 7   ? 1_555 CYS A 137 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 25  ? CYS A 41  ? CYS A 25  ? 1_555 CYS A 41  ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 109 ? CYS A 210 ? CYS A 109 ? 1_555 CYS A 210 ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 116 ? CYS A 183 ? CYS A 116 ? 1_555 CYS A 183 ? 1_555 SG SG . . . None 'Disulfide bridge' 
5 CYS A 148 ? CYS A 162 ? CYS A 148 ? 1_555 CYS A 162 ? 1_555 SG SG . . . None 'Disulfide bridge' 
6 CYS A 173 ? CYS A 197 ? CYS A 173 ? 1_555 CYS A 197 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 7 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA2 6 7 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 TYR A 5   ? THR A 6   ? TYR A 5   THR A 6   
AA1 2 LYS A 136 ? PRO A 141 ? LYS A 136 PRO A 141 
AA1 3 GLN A 115 ? GLY A 120 ? GLN A 115 GLY A 120 
AA1 4 PRO A 180 ? CYS A 183 ? PRO A 180 CYS A 183 
AA1 5 LYS A 186 ? TRP A 193 ? LYS A 186 TRP A 193 
AA1 6 GLY A 204 ? LYS A 208 ? GLY A 204 LYS A 208 
AA1 7 MET A 160 ? ALA A 163 ? MET A 160 ALA A 163 
AA2 1 GLN A 15  ? ASN A 19  ? GLN A 15  ASN A 19  
AA2 2 HIS A 23  ? ASN A 31  ? HIS A 23  ASN A 31  
AA2 3 TRP A 34  ? SER A 37  ? TRP A 34  SER A 37  
AA2 4 MET A 86  ? LEU A 90  ? MET A 86  LEU A 90  
AA2 5 GLN A 63  ? VAL A 72  ? GLN A 63  VAL A 72  
AA2 6 GLN A 47  ? LEU A 50  ? GLN A 47  LEU A 50  
AA2 7 GLN A 15  ? ASN A 19  ? GLN A 15  ASN A 19  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N TYR A 5   ? N TYR A 5   O CYS A 137 ? O CYS A 137 
AA1 2 3 O LEU A 138 ? O LEU A 138 N ILE A 118 ? N ILE A 118 
AA1 3 4 N LEU A 117 ? N LEU A 117 O VAL A 182 ? O VAL A 182 
AA1 4 5 N CYS A 183 ? N CYS A 183 O LYS A 186 ? O LYS A 186 
AA1 5 6 N TRP A 193 ? N TRP A 193 O VAL A 205 ? O VAL A 205 
AA1 6 7 O TYR A 206 ? O TYR A 206 N PHE A 161 ? N PHE A 161 
AA2 1 2 N LEU A 18  ? N LEU A 18  O CYS A 25  ? O CYS A 25  
AA2 2 3 N SER A 28  ? N SER A 28  O VAL A 36  ? O VAL A 36  
AA2 3 4 N SER A 37  ? N SER A 37  O MET A 86  ? O MET A 86  
AA2 4 5 O LEU A 87  ? O LEU A 87  N ILE A 71  ? N ILE A 71  
AA2 5 6 O GLN A 63  ? O GLN A 63  N LEU A 50  ? N LEU A 50  
AA2 6 7 O GLN A 47  ? O GLN A 47  N ASN A 19  ? N ASN A 19  
# 
_pdbx_entry_details.entry_id                   9AWH 
_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 507 ? ? O A HOH 582 ? ? 1.68 
2 1 CB A ASP 145 ? ? O A HOH 559 ? ? 2.17 
# 
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 613 ? ? 1_555 O   A HOH 622 ? ? 2_445 1.87 
2 1 OH A TYR 42  ? ? 1_555 OD2 A ASP 133 ? ? 4_445 2.16 
3 1 O  A HOH 586 ? ? 1_555 O   A HOH 605 ? ? 4_445 2.17 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 CG A MET 86 ? ? SD A MET 86 ? ? CE  A MET 86 ? ? 110.92 100.20 10.72 1.60 N 
2 1 NE A ARG 99 ? ? CZ A ARG 99 ? ? NH2 A ARG 99 ? ? 117.08 120.30 -3.22 0.50 N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     53 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -119.53 
_pdbx_validate_torsion.psi             -81.29 
# 
_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            0.086 
_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                    9AWH 
_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]   0.018465 
_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]   0.017074 
_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]   0.014913 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C  6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651  0.216   
CA 20 20 8.627  10.442 7.387 0.660  1.590 85.748 1.021 178.437 1.375   
H  1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800  0.003   
N  7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583   -11.538 
O  8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909  0.251   
S  16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172  0.867   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
ATOM   1    N  N   . ILE A 1 1   ? 8.104   -19.863 13.364  1.000 7.447  0 1   ILE A N   1 ? 
ATOM   2    C  CA  . ILE A 1 1   ? 8.111   -20.807 14.539  1.000 7.323  0 1   ILE A CA  1 ? 
ATOM   3    C  C   . ILE A 1 1   ? 9.399   -20.539 15.309  1.000 7.863  0 1   ILE A C   1 ? 
ATOM   4    O  O   . ILE A 1 1   ? 10.501  -20.661 14.778  1.000 8.161  0 1   ILE A O   1 ? 
ATOM   5    C  CB  . ILE A 1 1   ? 8.057   -22.270 14.064  1.000 7.343  0 1   ILE A CB  1 ? 
ATOM   6    C  CG1 . ILE A 1 1   ? 6.819   -22.535 13.198  1.000 7.577  0 1   ILE A CG1 1 ? 
ATOM   7    C  CG2 . ILE A 1 1   ? 8.105   -23.264 15.222  1.000 7.627  0 1   ILE A CG2 1 ? 
ATOM   8    C  CD1 . ILE A 1 1   ? 5.472   -22.626 13.916  1.000 8.847  0 1   ILE A CD1 1 ? 
ATOM   9    N  N   . VAL A 1 2   ? 9.250   -20.210 16.590  1.000 8.171  0 2   VAL A N   1 ? 
ATOM   10   C  CA  . VAL A 1 2   ? 10.381  -20.010 17.478  1.000 8.334  0 2   VAL A CA  1 ? 
ATOM   11   C  C   . VAL A 1 2   ? 10.508  -21.269 18.337  1.000 7.866  0 2   VAL A C   1 ? 
ATOM   12   O  O   . VAL A 1 2   ? 9.541   -21.751 18.960  1.000 8.894  0 2   VAL A O   1 ? 
ATOM   13   C  CB  . VAL A 1 2   ? 10.125  -18.767 18.348  1.000 8.525  0 2   VAL A CB  1 ? 
ATOM   14   C  CG1 . VAL A 1 2   ? 11.265  -18.591 19.313  1.000 9.694  0 2   VAL A CG1 1 ? 
ATOM   15   C  CG2 . VAL A 1 2   ? 9.847   -17.495 17.543  1.000 8.951  0 2   VAL A CG2 1 ? 
ATOM   16   N  N   . GLY A 1 3   ? 11.773  -21.765 18.435  1.000 8.571  0 3   GLY A N   1 ? 
ATOM   17   C  CA  . GLY A 1 3   ? 12.043  -22.875 19.338  1.000 9.503  0 3   GLY A CA  1 ? 
ATOM   18   C  C   . GLY A 1 3   ? 11.523  -24.225 18.865  1.000 10.620 0 3   GLY A C   1 ? 
ATOM   19   O  O   . GLY A 1 3   ? 11.367  -25.117 19.668  1.000 11.888 0 3   GLY A O   1 ? 
ATOM   20   N  N   . GLY A 1 4   ? 11.312  -24.351 17.561  1.000 9.043  0 4   GLY A N   1 ? 
ATOM   21   C  CA  . GLY A 1 4   ? 10.842  -25.574 16.930  1.000 9.232  0 4   GLY A CA  1 ? 
ATOM   22   C  C   . GLY A 1 4   ? 11.979  -26.385 16.323  1.000 9.190  0 4   GLY A C   1 ? 
ATOM   23   O  O   . GLY A 1 4   ? 13.140  -26.229 16.710  1.000 10.962 0 4   GLY A O   1 ? 
ATOM   24   N  N   . TYR A 1 5   ? 11.634  -27.155 15.287  1.000 8.476  0 5   TYR A N   1 ? 
ATOM   25   C  CA  . TYR A 1 5   ? 12.523  -28.067 14.605  1.000 8.541  0 5   TYR A CA  1 ? 
ATOM   26   C  C   . TYR A 1 5   ? 12.207  -28.057 13.115  1.000 8.744  0 5   TYR A C   1 ? 
ATOM   27   O  O   . TYR A 1 5   ? 11.117  -27.663 12.663  1.000 9.742  0 5   TYR A O   1 ? 
ATOM   28   C  CB  . TYR A 1 5   ? 12.468  -29.460 15.232  1.000 9.200  0 5   TYR A CB  1 ? 
ATOM   29   C  CG  . TYR A 1 5   ? 11.176  -30.218 15.122  1.000 9.311  0 5   TYR A CG  1 ? 
ATOM   30   C  CD1 . TYR A 1 5   ? 10.117  -29.886 15.956  1.000 9.519  0 5   TYR A CD1 1 ? 
ATOM   31   C  CD2 . TYR A 1 5   ? 10.937  -31.143 14.112  1.000 9.109  0 5   TYR A CD2 1 ? 
ATOM   32   C  CE1 . TYR A 1 5   ? 8.918   -30.570 15.877  1.000 9.893  0 5   TYR A CE1 1 ? 
ATOM   33   C  CE2 . TYR A 1 5   ? 9.737   -31.838 14.035  1.000 9.847  0 5   TYR A CE2 1 ? 
ATOM   34   C  CZ  . TYR A 1 5   ? 8.713   -31.527 14.912  1.000 9.955  0 5   TYR A CZ  1 ? 
ATOM   35   O  OH  . TYR A 1 5   ? 7.503   -32.165 14.814  1.000 12.834 0 5   TYR A OH  1 ? 
ATOM   36   N  N   . THR A 1 6   ? 13.201  -28.445 12.328  1.000 8.126  0 6   THR A N   1 ? 
ATOM   37   C  CA  . THR A 1 6   ? 12.988  -28.581 10.900  1.000 8.371  0 6   THR A CA  1 ? 
ATOM   38   C  C   . THR A 1 6   ? 12.110  -29.801 10.647  1.000 9.245  0 6   THR A C   1 ? 
ATOM   39   O  O   . THR A 1 6   ? 12.439  -30.930 11.025  1.000 10.431 0 6   THR A O   1 ? 
ATOM   40   C  CB  . THR A 1 6   ? 14.334  -28.704 10.192  1.000 8.856  0 6   THR A CB  1 ? 
ATOM   41   O  OG1 . THR A 1 6   ? 15.069  -27.495 10.354  1.000 11.497 0 6   THR A OG1 1 ? 
ATOM   42   C  CG2 . THR A 1 6   ? 14.192  -29.000 8.710   1.000 10.248 0 6   THR A CG2 1 ? 
ATOM   43   N  N   . CYS A 1 7   ? 10.957  -29.587 10.001  1.000 8.526  0 7   CYS A N   1 ? 
ATOM   44   C  CA  . CYS A 1 7   ? 9.948   -30.644 9.874   1.000 8.711  0 7   CYS A CA  1 ? 
ATOM   45   C  C   . CYS A 1 7   ? 10.492  -31.834 9.086   1.000 9.292  0 7   CYS A C   1 ? 
ATOM   46   O  O   . CYS A 1 7   ? 10.283  -33.000 9.409   1.000 10.420 0 7   CYS A O   1 ? 
ATOM   47   C  CB  . CYS A 1 7   ? 8.708   -30.176 9.099   1.000 8.345  0 7   CYS A CB  1 ? 
ATOM   48   S  SG  . CYS A 1 7   ? 7.830   -28.771 9.864   1.000 7.945  0 7   CYS A SG  1 ? 
ATOM   49   N  N   . GLY A 1 8   ? 11.160  -31.497 7.986   1.000 9.324  0 8   GLY A N   1 ? 
ATOM   50   C  CA  . GLY A 1 8   ? 11.505  -32.438 6.945   1.000 9.382  0 8   GLY A CA  1 ? 
ATOM   51   C  C   . GLY A 1 8   ? 10.628  -32.237 5.733   1.000 9.628  0 8   GLY A C   1 ? 
ATOM   52   O  O   . GLY A 1 8   ? 9.424   -32.005 5.856   1.000 10.274 0 8   GLY A O   1 ? 
ATOM   53   N  N   . ALA A 1 9   ? 11.208  -32.359 4.538   1.000 10.142 0 9   ALA A N   1 ? 
ATOM   54   C  CA  . ALA A 1 9   ? 10.500  -32.041 3.301   1.000 10.868 0 9   ALA A CA  1 ? 
ATOM   55   C  C   . ALA A 1 9   ? 9.263   -32.918 3.111   1.000 10.985 0 9   ALA A C   1 ? 
ATOM   56   O  O   . ALA A 1 9   ? 9.360   -34.155 3.167   1.000 11.084 0 9   ALA A O   1 ? 
ATOM   57   C  CB  . ALA A 1 9   ? 11.418  -32.212 2.115   1.000 11.990 0 9   ALA A CB  1 ? 
ATOM   58   N  N   . ASN A 1 10  ? 8.107   -32.232 2.991   1.000 10.024 0 10  ASN A N   1 ? 
ATOM   59   C  CA  . ASN A 1 10  ? 6.820   -32.802 2.639   1.000 10.413 0 10  ASN A CA  1 ? 
ATOM   60   C  C   . ASN A 1 10  ? 6.296   -33.766 3.699   1.000 9.701  0 10  ASN A C   1 ? 
ATOM   61   O  O   . ASN A 1 10  ? 5.463   -34.601 3.398   1.000 13.762 0 10  ASN A O   1 ? 
ATOM   62   C  CB  . ASN A 1 10  ? 6.903   -33.507 1.292   1.000 11.050 0 10  ASN A CB  1 ? 
ATOM   63   C  CG  . ASN A 1 10  ? 7.443   -32.592 0.217   1.000 11.428 0 10  ASN A CG  1 ? 
ATOM   64   O  OD1 . ASN A 1 10  ? 8.520   -32.858 -0.315  1.000 12.598 0 10  ASN A OD1 1 ? 
ATOM   65   N  ND2 . ASN A 1 10  ? 6.806   -31.438 -0.025  1.000 12.234 0 10  ASN A ND2 1 ? 
ATOM   66   N  N   . THR A 1 11  ? 6.700   -33.570 4.954   1.000 9.787  0 11  THR A N   1 ? 
ATOM   67   C  CA  . THR A 1 11  ? 6.221   -34.326 6.104   1.000 9.311  0 11  THR A CA  1 ? 
ATOM   68   C  C   . THR A 1 11  ? 4.910   -33.774 6.656   1.000 9.312  0 11  THR A C   1 ? 
ATOM   69   O  O   . THR A 1 11  ? 4.282   -34.393 7.519   1.000 9.395  0 11  THR A O   1 ? 
ATOM   70   C  CB  . THR A 1 11  ? 7.288   -34.424 7.204   1.000 10.122 0 11  THR A CB  1 ? 
ATOM   71   O  OG1 . THR A 1 11  ? 7.596   -33.099 7.654   1.000 9.403  0 11  THR A OG1 1 ? 
ATOM   72   C  CG2 . THR A 1 11  ? 8.503   -35.198 6.720   1.000 10.216 0 11  THR A CG2 1 ? 
ATOM   73   N  N   . VAL A 1 12  ? 4.546   -32.572 6.196   1.000 8.809  0 12  VAL A N   1 ? 
ATOM   74   C  CA  . VAL A 1 12  ? 3.349   -31.885 6.621   1.000 8.626  0 12  VAL A CA  1 ? 
ATOM   75   C  C   . VAL A 1 12  ? 2.578   -31.576 5.350   1.000 8.402  0 12  VAL A C   1 ? 
ATOM   76   O  O   . VAL A 1 12  ? 2.555   -30.446 4.859   1.000 8.541  0 12  VAL A O   1 ? 
ATOM   77   C  CB  . VAL A 1 12  ? 3.668   -30.602 7.421   1.000 8.821  0 12  VAL A CB  1 ? 
ATOM   78   C  CG1 . VAL A 1 12  ? 2.392   -30.039 8.045   1.000 8.875  0 12  VAL A CG1 1 ? 
ATOM   79   C  CG2 . VAL A 1 12  ? 4.699   -30.839 8.489   1.000 10.506 0 12  VAL A CG2 1 ? 
ATOM   80   N  N   . PRO A 1 13  ? 1.941   -32.581 4.718   1.000 8.077  0 13  PRO A N   1 ? 
ATOM   81   C  CA  . PRO A 1 13  ? 1.501   -32.430 3.326   1.000 7.675  0 13  PRO A CA  1 ? 
ATOM   82   C  C   . PRO A 1 13  ? 0.281   -31.542 3.074   1.000 8.021  0 13  PRO A C   1 ? 
ATOM   83   O  O   . PRO A 1 13  ? 0.029   -31.175 1.945   1.000 7.545  0 13  PRO A O   1 ? 
ATOM   84   C  CB  . PRO A 1 13  ? 1.257   -33.904 2.928   1.000 8.353  0 13  PRO A CB  1 ? 
ATOM   85   C  CG  . PRO A 1 13  ? 0.899   -34.559 4.221   1.000 8.393  0 13  PRO A CG  1 ? 
ATOM   86   C  CD  . PRO A 1 13  ? 1.777   -33.961 5.252   1.000 8.239  0 13  PRO A CD  1 ? 
ATOM   87   N  N   . TYR A 1 14  ? -0.386  -31.160 4.150   1.000 7.819  0 14  TYR A N   1 ? 
ATOM   88   C  CA  . TYR A 1 14  ? -1.499  -30.229 4.090   1.000 7.627  0 14  TYR A CA  1 ? 
ATOM   89   C  C   . TYR A 1 14  ? -1.078  -28.769 4.268   1.000 7.731  0 14  TYR A C   1 ? 
ATOM   90   O  O   . TYR A 1 14  ? -1.928  -27.896 4.110   1.000 7.196  0 14  TYR A O   1 ? 
ATOM   91   C  CB  . TYR A 1 14  ? -2.512  -30.603 5.175   1.000 7.769  0 14  TYR A CB  1 ? 
ATOM   92   C  CG  . TYR A 1 14  ? -1.913  -30.751 6.555   1.000 7.132  0 14  TYR A CG  1 ? 
ATOM   93   C  CD1 . TYR A 1 14  ? -1.654  -29.637 7.360   1.000 7.128  0 14  TYR A CD1 1 ? 
ATOM   94   C  CD2 . TYR A 1 14  ? -1.479  -31.986 7.008   1.000 7.823  0 14  TYR A CD2 1 ? 
ATOM   95   C  CE1 . TYR A 1 14  ? -1.106  -29.781 8.615   1.000 6.889  0 14  TYR A CE1 1 ? 
ATOM   96   C  CE2 . TYR A 1 14  ? -0.893  -32.137 8.247   1.000 7.822  0 14  TYR A CE2 1 ? 
ATOM   97   C  CZ  . TYR A 1 14  ? -0.679  -31.031 9.049   1.000 8.279  0 14  TYR A CZ  1 ? 
ATOM   98   O  OH  . TYR A 1 14  ? -0.068  -31.157 10.276  1.000 8.624  0 14  TYR A OH  1 ? 
ATOM   99   N  N   . GLN A 1 15  ? 0.203   -28.513 4.594   1.000 6.910  0 15  GLN A N   1 ? 
ATOM   100  C  CA  . GLN A 1 15  ? 0.692   -27.169 4.817   1.000 6.921  0 15  GLN A CA  1 ? 
ATOM   101  C  C   . GLN A 1 15  ? 0.819   -26.477 3.462   1.000 6.878  0 15  GLN A C   1 ? 
ATOM   102  O  O   . GLN A 1 15  ? 1.503   -26.968 2.544   1.000 8.304  0 15  GLN A O   1 ? 
ATOM   103  C  CB  . GLN A 1 15  ? 2.048   -27.191 5.505   1.000 7.328  0 15  GLN A CB  1 ? 
ATOM   104  C  CG  . GLN A 1 15  ? 2.694   -25.819 5.606   1.000 7.279  0 15  GLN A CG  1 ? 
ATOM   105  C  CD  . GLN A 1 15  ? 2.181   -24.978 6.749   1.000 7.506  0 15  GLN A CD  1 ? 
ATOM   106  O  OE1 . GLN A 1 15  ? 2.204   -25.383 7.918   1.000 8.247  0 15  GLN A OE1 1 ? 
ATOM   107  N  NE2 . GLN A 1 15  ? 1.812   -23.733 6.471   1.000 8.617  0 15  GLN A NE2 1 ? 
ATOM   108  N  N   . VAL A 1 16  ? 0.243   -25.275 3.378   1.000 6.796  0 16  VAL A N   1 ? 
ATOM   109  C  CA  . VAL A 1 16  ? 0.393   -24.473 2.176   1.000 8.204  0 16  VAL A CA  1 ? 
ATOM   110  C  C   . VAL A 1 16  ? 1.057   -23.130 2.522   1.000 8.163  0 16  VAL A C   1 ? 
ATOM   111  O  O   . VAL A 1 16  ? 0.974   -22.651 3.658   1.000 7.397  0 16  VAL A O   1 ? 
ATOM   112  C  CB  . VAL A 1 16  ? -0.864  -24.257 1.333   1.000 11.309 0 16  VAL A CB  1 ? 
ATOM   113  C  CG1 . VAL A 1 16  ? -1.716  -25.531 1.162   1.000 12.875 0 16  VAL A CG1 1 ? 
ATOM   114  C  CG2 . VAL A 1 16  ? -1.688  -23.137 1.857   1.000 12.082 0 16  VAL A CG2 1 ? 
ATOM   115  N  N   . SER A 1 17  ? 1.715   -22.528 1.523   1.000 7.273  0 17  SER A N   1 ? 
ATOM   116  C  CA  . SER A 1 17  ? 2.168   -21.136 1.585   1.000 7.279  0 17  SER A CA  1 ? 
ATOM   117  C  C   . SER A 1 17  ? 1.263   -20.289 0.694   1.000 8.141  0 17  SER A C   1 ? 
ATOM   118  O  O   . SER A 1 17  ? 0.983   -20.678 -0.434  1.000 8.542  0 17  SER A O   1 ? 
ATOM   119  C  CB  . SER A 1 17  ? 3.619   -21.046 1.152   1.000 7.152  0 17  SER A CB  1 ? 
ATOM   120  O  OG  . SER A 1 17  ? 3.981   -19.701 0.847   1.000 7.302  0 17  SER A OG  1 ? 
ATOM   121  N  N   . LEU A 1 18  ? 0.810   -19.149 1.204   1.000 7.535  0 18  LEU A N   1 ? 
ATOM   122  C  CA  . LEU A 1 18  ? 0.095   -18.160 0.430   1.000 7.988  0 18  LEU A CA  1 ? 
ATOM   123  C  C   . LEU A 1 18  ? 1.102   -17.127 -0.061  1.000 7.862  0 18  LEU A C   1 ? 
ATOM   124  O  O   . LEU A 1 18  ? 1.858   -16.598 0.731   1.000 7.337  0 18  LEU A O   1 ? 
ATOM   125  C  CB  . LEU A 1 18  ? -0.991  -17.472 1.241   1.000 8.087  0 18  LEU A CB  1 ? 
ATOM   126  C  CG  . LEU A 1 18  ? -2.010  -18.377 1.918   1.000 9.055  0 18  LEU A CG  1 ? 
ATOM   127  C  CD1 . LEU A 1 18  ? -3.012  -17.507 2.656   1.000 9.807  0 18  LEU A CD1 1 ? 
ATOM   128  C  CD2 . LEU A 1 18  ? -2.681  -19.314 0.948   1.000 9.333  0 18  LEU A CD2 1 ? 
ATOM   129  N  N   . ASN A 1 19  ? 1.106   -16.910 -1.386  1.000 7.810  0 19  ASN A N   1 ? 
ATOM   130  C  CA  . ASN A 1 19  ? 2.121   -16.145 -2.077  1.000 8.479  0 19  ASN A CA  1 ? 
ATOM   131  C  C   . ASN A 1 19  ? 1.450   -15.039 -2.884  1.000 9.739  0 19  ASN A C   1 ? 
ATOM   132  O  O   . ASN A 1 19  ? 0.549   -15.266 -3.681  1.000 9.406  0 19  ASN A O   1 ? 
ATOM   133  C  CB  . ASN A 1 19  ? 2.922   -17.044 -2.993  1.000 8.479  0 19  ASN A CB  1 ? 
ATOM   134  C  CG  . ASN A 1 19  ? 4.107   -16.373 -3.637  1.000 8.289  0 19  ASN A CG  1 ? 
ATOM   135  O  OD1 . ASN A 1 19  ? 3.912   -15.610 -4.566  1.000 9.157  0 19  ASN A OD1 1 ? 
ATOM   136  N  ND2 . ASN A 1 19  ? 5.307   -16.594 -3.129  1.000 9.385  0 19  ASN A ND2 1 ? 
ATOM   137  N  N   . SER A 1 20  ? 1.940   -13.809 -2.695  1.000 9.051  0 20  SER A N   1 ? 
ATOM   138  C  CA  . SER A 1 20  ? 1.504   -12.664 -3.497  1.000 10.688 0 20  SER A CA  1 ? 
ATOM   139  C  C   . SER A 1 20  ? 2.712   -11.952 -4.081  1.000 11.808 0 20  SER A C   1 ? 
ATOM   140  O  O   . SER A 1 20  ? 2.820   -10.726 -3.987  1.000 12.260 0 20  SER A O   1 ? 
ATOM   141  C  CB  . SER A 1 20  ? 0.693   -11.683 -2.663  1.000 11.836 0 20  SER A CB  1 ? 
ATOM   142  O  OG  . SER A 1 20  ? 1.449   -11.131 -1.599  1.000 15.916 0 20  SER A OG  1 ? 
ATOM   143  N  N   . GLY A 1 21  ? 3.626   -12.767 -4.595  1.000 10.696 0 21  GLY A N   1 ? 
ATOM   144  C  CA  . GLY A 1 21  ? 4.944   -12.289 -5.002  1.000 10.623 0 21  GLY A CA  1 ? 
ATOM   145  C  C   . GLY A 1 21  ? 6.043   -12.665 -4.015  1.000 10.593 0 21  GLY A C   1 ? 
ATOM   146  O  O   . GLY A 1 21  ? 7.240   -12.495 -4.271  1.000 10.906 0 21  GLY A O   1 ? 
ATOM   147  N  N   . TYR A 1 22  ? 5.608   -13.160 -2.847  1.000 9.951  0 22  TYR A N   1 ? 
ATOM   148  C  CA  . TYR A 1 22  ? 6.427   -13.460 -1.676  1.000 9.048  0 22  TYR A CA  1 ? 
ATOM   149  C  C   . TYR A 1 22  ? 5.480   -14.257 -0.771  1.000 7.682  0 22  TYR A C   1 ? 
ATOM   150  O  O   . TYR A 1 22  ? 4.253   -14.065 -0.841  1.000 7.736  0 22  TYR A O   1 ? 
ATOM   151  C  CB  . TYR A 1 22  ? 6.933   -12.181 -0.989  1.000 10.521 0 22  TYR A CB  1 ? 
ATOM   152  C  CG  . TYR A 1 22  ? 5.832   -11.163 -0.793  1.000 10.745 0 22  TYR A CG  1 ? 
ATOM   153  C  CD1 . TYR A 1 22  ? 4.972   -11.209 0.305   1.000 11.747 0 22  TYR A CD1 1 ? 
ATOM   154  C  CD2 . TYR A 1 22  ? 5.580   -10.199 -1.768  1.000 11.651 0 22  TYR A CD2 1 ? 
ATOM   155  C  CE1 . TYR A 1 22  ? 3.958   -10.279 0.445   1.000 12.251 0 22  TYR A CE1 1 ? 
ATOM   156  C  CE2 . TYR A 1 22  ? 4.551   -9.304  -1.655  1.000 13.481 0 22  TYR A CE2 1 ? 
ATOM   157  C  CZ  . TYR A 1 22  ? 3.740   -9.340  -0.551  1.000 14.529 0 22  TYR A CZ  1 ? 
ATOM   158  O  OH  . TYR A 1 22  ? 2.669   -8.482  -0.480  1.000 19.489 0 22  TYR A OH  1 ? 
ATOM   159  N  N   . HIS A 1 23  ? 6.046   -15.128 0.071   1.000 7.543  0 23  HIS A N   1 ? 
ATOM   160  C  CA  . HIS A 1 23  ? 5.276   -15.807 1.131   1.000 7.632  0 23  HIS A CA  1 ? 
ATOM   161  C  C   . HIS A 1 23  ? 4.769   -14.773 2.130   1.000 7.820  0 23  HIS A C   1 ? 
ATOM   162  O  O   . HIS A 1 23  ? 5.558   -13.992 2.634   1.000 8.366  0 23  HIS A O   1 ? 
ATOM   163  C  CB  . HIS A 1 23  ? 6.164   -16.818 1.863   1.000 7.862  0 23  HIS A CB  1 ? 
ATOM   164  C  CG  . HIS A 1 23  ? 5.562   -17.290 3.128   1.000 7.934  0 23  HIS A CG  1 ? 
ATOM   165  N  ND1 . HIS A 1 23  ? 4.697   -18.348 3.118   1.000 7.803  0 23  HIS A ND1 1 ? 
ATOM   166  C  CD2 . HIS A 1 23  ? 5.644   -16.861 4.416   1.000 8.357  0 23  HIS A CD2 1 ? 
ATOM   167  C  CE1 . HIS A 1 23  ? 4.266   -18.553 4.375   1.000 7.777  0 23  HIS A CE1 1 ? 
ATOM   168  N  NE2 . HIS A 1 23  ? 4.834   -17.693 5.182   1.000 8.591  0 23  HIS A NE2 1 ? 
ATOM   169  N  N   . PHE A 1 24  ? 3.481   -14.821 2.491   1.000 7.839  0 24  PHE A N   1 ? 
ATOM   170  C  CA  . PHE A 1 24  ? 3.008   -13.924 3.517   1.000 7.492  0 24  PHE A CA  1 ? 
ATOM   171  C  C   . PHE A 1 24  ? 2.148   -14.584 4.587   1.000 7.583  0 24  PHE A C   1 ? 
ATOM   172  O  O   . PHE A 1 24  ? 1.966   -13.971 5.638   1.000 8.780  0 24  PHE A O   1 ? 
ATOM   173  C  CB  . PHE A 1 24  ? 2.238   -12.775 2.877   1.000 8.454  0 24  PHE A CB  1 ? 
ATOM   174  C  CG  . PHE A 1 24  ? 0.949   -13.172 2.213   1.000 7.814  0 24  PHE A CG  1 ? 
ATOM   175  C  CD1 . PHE A 1 24  ? -0.238  -13.151 2.963   1.000 9.204  0 24  PHE A CD1 1 ? 
ATOM   176  C  CD2 . PHE A 1 24  ? 0.855   -13.537 0.865   1.000 7.383  0 24  PHE A CD2 1 ? 
ATOM   177  C  CE1 . PHE A 1 24  ? -1.428  -13.560 2.395   1.000 8.497  0 24  PHE A CE1 1 ? 
ATOM   178  C  CE2 . PHE A 1 24  ? -0.349  -13.888 0.309   1.000 8.478  0 24  PHE A CE2 1 ? 
ATOM   179  C  CZ  . PHE A 1 24  ? -1.486  -13.930 1.095   1.000 8.103  0 24  PHE A CZ  1 ? 
ATOM   180  N  N   . CYS A 1 25  ? 1.729   -15.836 4.394   1.000 6.727  0 25  CYS A N   1 ? 
ATOM   181  C  CA  . CYS A 1 25  ? 0.868   -16.480 5.380   1.000 6.410  0 25  CYS A CA  1 ? 
ATOM   182  C  C   . CYS A 1 25  ? 0.838   -17.977 5.083   1.000 5.754  0 25  CYS A C   1 ? 
ATOM   183  O  O   . CYS A 1 25  ? 1.132   -18.405 3.960   1.000 7.229  0 25  CYS A O   1 ? 
ATOM   184  C  CB  . CYS A 1 25  ? -0.583  -15.982 5.410   1.000 6.902  0 25  CYS A CB  1 ? 
ATOM   185  S  SG  . CYS A 1 25  ? -0.871  -14.523 6.492   1.000 6.862  0 25  CYS A SG  1 ? 
ATOM   186  N  N   . GLY A 1 26  ? 0.514   -18.780 6.096   1.000 5.995  0 26  GLY A N   1 ? 
ATOM   187  C  CA  . GLY A 1 26  ? 0.229   -20.199 5.906   1.000 6.000  0 26  GLY A CA  1 ? 
ATOM   188  C  C   . GLY A 1 26  ? -1.245  -20.479 5.613   1.000 6.325  0 26  GLY A C   1 ? 
ATOM   189  O  O   . GLY A 1 26  ? -2.085  -19.599 5.668   1.000 6.647  0 26  GLY A O   1 ? 
ATOM   190  N  N   . GLY A 1 27  ? -1.510  -21.765 5.369   1.000 6.647  0 27  GLY A N   1 ? 
ATOM   191  C  CA  . GLY A 1 27  ? -2.870  -22.237 5.238   1.000 6.324  0 27  GLY A CA  1 ? 
ATOM   192  C  C   . GLY A 1 27  ? -2.861  -23.748 5.277   1.000 6.326  0 27  GLY A C   1 ? 
ATOM   193  O  O   . GLY A 1 27  ? -1.765  -24.315 5.311   1.000 7.715  0 27  GLY A O   1 ? 
ATOM   194  N  N   . SER A 1 28  ? -4.045  -24.332 5.286   1.000 7.005  0 28  SER A N   1 ? 
ATOM   195  C  CA  . SER A 1 28  ? -4.226  -25.776 5.357   1.000 7.113  0 28  SER A CA  1 ? 
ATOM   196  C  C   . SER A 1 28  ? -5.108  -26.208 4.198   1.000 7.335  0 28  SER A C   1 ? 
ATOM   197  O  O   . SER A 1 28  ? -6.220  -25.704 4.050   1.000 8.027  0 28  SER A O   1 ? 
ATOM   198  C  CB  . SER A 1 28  ? -4.772  -26.225 6.671   1.000 8.321  0 28  SER A CB  1 ? 
ATOM   199  O  OG  . SER A 1 28  ? -3.975  -25.796 7.762   1.000 9.117  0 28  SER A OG  1 ? 
ATOM   200  N  N   . LEU A 1 29  ? -4.684  -27.247 3.488   1.000 6.981  0 29  LEU A N   1 ? 
ATOM   201  C  CA  . LEU A 1 29  ? -5.498  -27.847 2.433   1.000 8.087  0 29  LEU A CA  1 ? 
ATOM   202  C  C   . LEU A 1 29  ? -6.559  -28.763 3.044   1.000 8.321  0 29  LEU A C   1 ? 
ATOM   203  O  O   . LEU A 1 29  ? -6.194  -29.695 3.760   1.000 7.960  0 29  LEU A O   1 ? 
ATOM   204  C  CB  . LEU A 1 29  ? -4.591  -28.627 1.494   1.000 9.045  0 29  LEU A CB  1 ? 
ATOM   205  C  CG  . LEU A 1 29  ? -5.240  -29.060 0.181   1.000 10.582 0 29  LEU A CG  1 ? 
ATOM   206  C  CD1 . LEU A 1 29  ? -5.593  -27.882 -0.720  1.000 10.435 0 29  LEU A CD1 1 ? 
ATOM   207  C  CD2 . LEU A 1 29  ? -4.364  -30.068 -0.606  1.000 12.508 0 29  LEU A CD2 1 ? 
ATOM   208  N  N   . ILE A 1 30  ? -7.848  -28.539 2.787   1.000 9.389  0 30  ILE A N   1 ? 
ATOM   209  C  CA  . ILE A 1 30  ? -8.883  -29.364 3.431   1.000 10.267 0 30  ILE A CA  1 ? 
ATOM   210  C  C   . ILE A 1 30  ? -9.616  -30.224 2.410   1.000 10.124 0 30  ILE A C   1 ? 
ATOM   211  O  O   . ILE A 1 30  ? -10.352 -31.105 2.831   1.000 11.587 0 30  ILE A O   1 ? 
ATOM   212  C  CB  . ILE A 1 30  ? -9.854  -28.545 4.280   1.000 11.626 0 30  ILE A CB  1 ? 
ATOM   213  C  CG1 . ILE A 1 30  ? -10.562 -27.458 3.497   1.000 11.960 0 30  ILE A CG1 1 ? 
ATOM   214  C  CG2 . ILE A 1 30  ? -9.125  -28.007 5.522   1.000 11.885 0 30  ILE A CG2 1 ? 
ATOM   215  C  CD1 . ILE A 1 30  ? -11.713 -26.842 4.295   1.000 12.724 0 30  ILE A CD1 1 ? 
ATOM   216  N  N   . ASN A 1 31  ? -9.451  -29.940 1.113   1.000 10.024 0 31  ASN A N   1 ? 
ATOM   217  C  CA  . ASN A 1 31  ? -9.833  -30.871 0.057   1.000 10.287 0 31  ASN A CA  1 ? 
ATOM   218  C  C   . ASN A 1 31  ? -9.075  -30.473 -1.189  1.000 11.155 0 31  ASN A C   1 ? 
ATOM   219  O  O   . ASN A 1 31  ? -8.275  -29.539 -1.123  1.000 12.224 0 31  ASN A O   1 ? 
ATOM   220  C  CB  . ASN A 1 31  ? -11.353 -30.988 -0.107  1.000 11.372 0 31  ASN A CB  1 ? 
ATOM   221  C  CG  . ASN A 1 31  ? -12.012 -29.743 -0.652  1.000 13.210 0 31  ASN A CG  1 ? 
ATOM   222  O  OD1 . ASN A 1 31  ? -11.429 -28.946 -1.389  1.000 11.263 0 31  ASN A OD1 1 ? 
ATOM   223  N  ND2 . ASN A 1 31  ? -13.281 -29.618 -0.315  1.000 17.168 0 31  ASN A ND2 1 ? 
ATOM   224  N  N   . SER A 1 32  ? -9.319  -31.089 -2.343  1.000 10.609 0 32  SER A N   1 ? 
ATOM   225  C  CA  . SER A 1 32  ? -8.497  -30.791 -3.491  1.000 10.744 0 32  SER A CA  1 ? 
ATOM   226  C  C   . SER A 1 32  ? -8.630  -29.359 -3.995  1.000 10.711 0 32  SER A C   1 ? 
ATOM   227  O  O   . SER A 1 32  ? -7.798  -28.932 -4.798  1.000 12.834 0 32  SER A O   1 ? 
ATOM   228  C  CB  . SER A 1 32  ? -8.765  -31.742 -4.674  1.000 10.503 0 32  SER A CB  1 ? 
ATOM   229  O  OG  . SER A 1 32  ? -10.097 -31.600 -5.132  1.000 12.381 0 32  SER A OG  1 ? 
ATOM   230  N  N   . GLN A 1 33  ? -9.678  -28.614 -3.613  1.000 11.002 0 33  GLN A N   1 ? 
ATOM   231  C  CA  . GLN A 1 33  ? -9.914  -27.310 -4.203  1.000 11.515 0 33  GLN A CA  1 ? 
ATOM   232  C  C   . GLN A 1 33  ? -10.010 -26.182 -3.168  1.000 9.347  0 33  GLN A C   1 ? 
ATOM   233  O  O   . GLN A 1 33  ? -10.249 -25.042 -3.560  1.000 10.754 0 33  GLN A O   1 ? 
ATOM   234  C  CB  . GLN A 1 33  ? -11.266 -27.242 -4.934  1.000 14.872 0 33  GLN A CB  1 ? 
ATOM   235  C  CG  . GLN A 1 33  ? -11.473 -28.147 -6.131  1.000 22.339 0 33  GLN A CG  1 ? 
ATOM   236  C  CD  . GLN A 1 33  ? -12.627 -27.598 -6.951  1.000 24.099 0 33  GLN A CD  1 ? 
ATOM   237  O  OE1 . GLN A 1 33  ? -13.802 -27.849 -6.657  1.000 35.824 0 33  GLN A OE1 1 ? 
ATOM   238  N  NE2 . GLN A 1 33  ? -12.279 -26.653 -7.803  1.000 31.778 0 33  GLN A NE2 1 ? 
ATOM   239  N  N   . TRP A 1 34  ? -9.849  -26.492 -1.878  1.000 8.309  0 34  TRP A N   1 ? 
ATOM   240  C  CA  . TRP A 1 34  ? -10.093 -25.493 -0.844  1.000 8.283  0 34  TRP A CA  1 ? 
ATOM   241  C  C   . TRP A 1 34  ? -8.991  -25.484 0.204   1.000 8.843  0 34  TRP A C   1 ? 
ATOM   242  O  O   . TRP A 1 34  ? -8.584  -26.522 0.687   1.000 8.208  0 34  TRP A O   1 ? 
ATOM   243  C  CB  . TRP A 1 34  ? -11.440 -25.704 -0.145  1.000 9.373  0 34  TRP A CB  1 ? 
ATOM   244  C  CG  . TRP A 1 34  ? -12.628 -25.384 -1.011  1.000 10.012 0 34  TRP A CG  1 ? 
ATOM   245  C  CD1 . TRP A 1 34  ? -13.286 -26.210 -1.881  1.000 10.804 0 34  TRP A CD1 1 ? 
ATOM   246  C  CD2 . TRP A 1 34  ? -13.299 -24.119 -1.075  1.000 9.324  0 34  TRP A CD2 1 ? 
ATOM   247  N  NE1 . TRP A 1 34  ? -14.318 -25.538 -2.472  1.000 10.236 0 34  TRP A NE1 1 ? 
ATOM   248  C  CE2 . TRP A 1 34  ? -14.380 -24.257 -1.981  1.000 10.269 0 34  TRP A CE2 1 ? 
ATOM   249  C  CE3 . TRP A 1 34  ? -13.115 -22.896 -0.433  1.000 10.348 0 34  TRP A CE3 1 ? 
ATOM   250  C  CZ2 . TRP A 1 34  ? -15.240 -23.206 -2.274  1.000 10.688 0 34  TRP A CZ2 1 ? 
ATOM   251  C  CZ3 . TRP A 1 34  ? -13.909 -21.823 -0.767  1.000 11.604 0 34  TRP A CZ3 1 ? 
ATOM   252  C  CH2 . TRP A 1 34  ? -14.980 -21.977 -1.680  1.000 11.671 0 34  TRP A CH2 1 ? 
ATOM   253  N  N   . VAL A 1 35  ? -8.670  -24.258 0.639   1.000 8.507  0 35  VAL A N   1 ? 
ATOM   254  C  CA  . VAL A 1 35  ? -7.698  -24.012 1.698   1.000 8.726  0 35  VAL A CA  1 ? 
ATOM   255  C  C   . VAL A 1 35  ? -8.373  -23.202 2.805   1.000 8.586  0 35  VAL A C   1 ? 
ATOM   256  O  O   . VAL A 1 35  ? -9.168  -22.290 2.540   1.000 8.381  0 35  VAL A O   1 ? 
ATOM   257  C  CB  . VAL A 1 35  ? -6.536  -23.203 1.082   1.000 8.311  0 35  VAL A CB  1 ? 
ATOM   258  C  CG1 . VAL A 1 35  ? -5.661  -22.554 2.163   1.000 8.022  0 35  VAL A CG1 1 ? 
ATOM   259  C  CG2 . VAL A 1 35  ? -5.671  -24.093 0.195   1.000 9.550  0 35  VAL A CG2 1 ? 
ATOM   260  N  N   . VAL A 1 36  ? -8.033  -23.511 4.064   1.000 7.980  0 36  VAL A N   1 ? 
ATOM   261  C  CA  . VAL A 1 36  ? -8.403  -22.707 5.220   1.000 9.099  0 36  VAL A CA  1 ? 
ATOM   262  C  C   . VAL A 1 36  ? -7.220  -21.869 5.682   1.000 7.678  0 36  VAL A C   1 ? 
ATOM   263  O  O   . VAL A 1 36  ? -6.098  -22.392 5.810   1.000 8.603  0 36  VAL A O   1 ? 
ATOM   264  C  CB  . VAL A 1 36  ? -8.825  -23.658 6.351   1.000 13.162 0 36  VAL A CB  1 ? 
ATOM   265  C  CG1 . VAL A 1 36  ? -8.851  -22.986 7.724   1.000 18.080 0 36  VAL A CG1 1 ? 
ATOM   266  C  CG2 . VAL A 1 36  ? -10.127 -24.337 6.045   1.000 15.272 0 36  VAL A CG2 1 ? 
ATOM   267  N  N   . SER A 1 37  ? -7.485  -20.589 5.988   1.000 6.727  0 37  SER A N   1 ? 
ATOM   268  C  CA  . SER A 1 37  ? -6.419  -19.731 6.512   1.000 6.323  0 37  SER A CA  1 ? 
ATOM   269  C  C   . SER A 1 37  ? -7.045  -18.746 7.508   1.000 6.565  0 37  SER A C   1 ? 
ATOM   270  O  O   . SER A 1 37  ? -8.181  -18.937 7.936   1.000 5.752  0 37  SER A O   1 ? 
ATOM   271  C  CB  . SER A 1 37  ? -5.651  -19.038 5.352   1.000 6.672  0 37  SER A CB  1 ? 
ATOM   272  O  OG  . SER A 1 37  ? -4.505  -18.298 5.787   1.000 6.138  0 37  SER A OG  1 ? 
ATOM   273  N  N   . ALA A 1 38  ? -6.291  -17.717 7.895   1.000 6.094  0 38  ALA A N   1 ? 
ATOM   274  C  CA  . ALA A 1 38  ? -6.762  -16.696 8.809   1.000 6.094  0 38  ALA A CA  1 ? 
ATOM   275  C  C   . ALA A 1 38  ? -7.333  -15.524 8.016   1.000 6.666  0 38  ALA A C   1 ? 
ATOM   276  O  O   . ALA A 1 38  ? -6.735  -15.113 7.024   1.000 6.924  0 38  ALA A O   1 ? 
ATOM   277  C  CB  . ALA A 1 38  ? -5.638  -16.192 9.708   1.000 6.393  0 38  ALA A CB  1 ? 
ATOM   278  N  N   . ALA A 1 39  ? -8.494  -15.002 8.429   1.000 6.007  0 39  ALA A N   1 ? 
ATOM   279  C  CA  . ALA A 1 39  ? -9.015  -13.804 7.797   1.000 5.790  0 39  ALA A CA  1 ? 
ATOM   280  C  C   . ALA A 1 39  ? -8.056  -12.635 7.795   1.000 5.996  0 39  ALA A C   1 ? 
ATOM   281  O  O   . ALA A 1 39  ? -8.126  -11.864 6.863   1.000 6.976  0 39  ALA A O   1 ? 
ATOM   282  C  CB  . ALA A 1 39  ? -10.328 -13.449 8.417   1.000 5.669  0 39  ALA A CB  1 ? 
ATOM   283  N  N   . HIS A 1 40  ? -7.181  -12.499 8.804   1.000 6.130  0 40  HIS A N   1 ? 
ATOM   284  C  CA  . HIS A 1 40  ? -6.247  -11.383 8.812   1.000 6.929  0 40  HIS A CA  1 ? 
ATOM   285  C  C   . HIS A 1 40  ? -5.180  -11.514 7.740   1.000 7.468  0 40  HIS A C   1 ? 
ATOM   286  O  O   . HIS A 1 40  ? -4.469  -10.528 7.506   1.000 8.211  0 40  HIS A O   1 ? 
ATOM   287  C  CB  . HIS A 1 40  ? -5.717  -11.124 10.217  1.000 7.276  0 40  HIS A CB  1 ? 
ATOM   288  C  CG  . HIS A 1 40  ? -4.544  -11.928 10.621  1.000 7.130  0 40  HIS A CG  1 ? 
ATOM   289  N  ND1 . HIS A 1 40  ? -4.575  -13.006 11.489  1.000 6.568  0 40  HIS A ND1 1 ? 
ATOM   290  C  CD2 . HIS A 1 40  ? -3.229  -11.750 10.301  1.000 7.395  0 40  HIS A CD2 1 ? 
ATOM   291  C  CE1 . HIS A 1 40  ? -3.326  -13.412 11.698  1.000 8.241  0 40  HIS A CE1 1 ? 
ATOM   292  N  NE2 . HIS A 1 40  ? -2.476  -12.669 10.984  1.000 7.513  0 40  HIS A NE2 1 ? 
ATOM   293  N  N   . CYS A 1 41  ? -5.108  -12.666 7.077   1.000 7.575  0 41  CYS A N   1 ? 
ATOM   294  C  CA  . CYS A 1 41  ? -4.276  -12.905 5.939   1.000 8.483  0 41  CYS A CA  1 ? 
ATOM   295  C  C   . CYS A 1 41  ? -4.935  -12.513 4.622   1.000 9.571  0 41  CYS A C   1 ? 
ATOM   296  O  O   . CYS A 1 41  ? -4.304  -12.684 3.569   1.000 10.985 0 41  CYS A O   1 ? 
ATOM   297  C  CB  . CYS A 1 41  ? -3.890  -14.370 5.842   1.000 7.647  0 41  CYS A CB  1 ? 
ATOM   298  S  SG  . CYS A 1 41  ? -2.751  -14.917 7.166   1.000 8.224  0 41  CYS A SG  1 ? 
ATOM   299  N  N   . TYR A 1 42  ? -6.185  -12.028 4.620   1.000 8.063  0 42  TYR A N   1 ? 
ATOM   300  C  CA  . TYR A 1 42  ? -6.837  -11.668 3.383   1.000 8.987  0 42  TYR A CA  1 ? 
ATOM   301  C  C   . TYR A 1 42  ? -6.006  -10.670 2.576   1.000 8.359  0 42  TYR A C   1 ? 
ATOM   302  O  O   . TYR A 1 42  ? -5.596  -9.632  3.048   1.000 9.943  0 42  TYR A O   1 ? 
ATOM   303  C  CB  . TYR A 1 42  ? -8.246  -11.144 3.692   1.000 9.317  0 42  TYR A CB  1 ? 
ATOM   304  C  CG  . TYR A 1 42  ? -8.824  -10.535 2.424   1.000 10.688 0 42  TYR A CG  1 ? 
ATOM   305  C  CD1 . TYR A 1 42  ? -9.337  -11.354 1.441   1.000 11.786 0 42  TYR A CD1 1 ? 
ATOM   306  C  CD2 . TYR A 1 42  ? -8.784  -9.179  2.213   1.000 11.257 0 42  TYR A CD2 1 ? 
ATOM   307  C  CE1 . TYR A 1 42  ? -9.723  -10.823 0.226   1.000 14.726 0 42  TYR A CE1 1 ? 
ATOM   308  C  CE2 . TYR A 1 42  ? -9.171  -8.637  0.997   1.000 14.128 0 42  TYR A CE2 1 ? 
ATOM   309  C  CZ  . TYR A 1 42  ? -9.640  -9.475  0.021   1.000 14.706 0 42  TYR A CZ  1 ? 
ATOM   310  O  OH  . TYR A 1 42  ? -10.113 -9.013  -1.185  1.000 20.811 0 42  TYR A OH  1 ? 
ATOM   311  N  N   . LYS A 1 43  ? -5.928  -10.977 1.276   1.000 9.589  0 43  LYS A N   1 ? 
ATOM   312  C  CA  . LYS A 1 43  ? -5.591  -10.012 0.250   1.000 11.643 0 43  LYS A CA  1 ? 
ATOM   313  C  C   . LYS A 1 43  ? -6.062  -10.537 -1.095  1.000 11.133 0 43  LYS A C   1 ? 
ATOM   314  O  O   . LYS A 1 43  ? -6.345  -11.719 -1.240  1.000 11.524 0 43  LYS A O   1 ? 
ATOM   315  C  CB  . LYS A 1 43  ? -4.106  -9.702  0.220   1.000 15.493 0 43  LYS A CB  1 ? 
ATOM   316  C  CG  . LYS A 1 43  ? -3.241  -10.818 -0.044  1.000 16.511 0 43  LYS A CG  1 ? 
ATOM   317  C  CD  . LYS A 1 43  ? -1.817  -10.343 -0.296  1.000 17.350 0 43  LYS A CD  1 ? 
ATOM   318  C  CE  . LYS A 1 43  ? -1.123  -10.037 0.937   1.000 15.172 0 43  LYS A CE  1 ? 
ATOM   319  N  NZ  . LYS A 1 43  ? 0.264   -9.659  0.608   1.000 18.042 0 43  LYS A NZ  1 ? 
ATOM   320  N  N   . SER A 1 44  ? -6.120  -9.649  -2.096  1.000 12.103 0 44  SER A N   1 ? 
ATOM   321  C  CA  . SER A 1 44  ? -6.423  -10.127 -3.437  1.000 13.622 0 44  SER A CA  1 ? 
ATOM   322  C  C   . SER A 1 44  ? -5.139  -10.628 -4.077  1.000 12.279 0 44  SER A C   1 ? 
ATOM   323  O  O   . SER A 1 44  ? -4.022  -10.344 -3.646  1.000 14.922 0 44  SER A O   1 ? 
ATOM   324  C  CB  . SER A 1 44  ? -7.083  -9.042  -4.265  1.000 15.879 0 44  SER A CB  1 ? 
ATOM   325  O  OG  . SER A 1 44  ? -6.186  -7.975  -4.337  1.000 19.332 0 44  SER A OG  1 ? 
ATOM   326  N  N   . GLY A 1 45  ? -5.276  -11.403 -5.132  1.000 13.775 0 45  GLY A N   1 ? 
ATOM   327  C  CA  . GLY A 1 45  ? -4.077  -11.780 -5.880  1.000 14.074 0 45  GLY A CA  1 ? 
ATOM   328  C  C   . GLY A 1 45  ? -3.280  -12.931 -5.261  1.000 14.056 0 45  GLY A C   1 ? 
ATOM   329  O  O   . GLY A 1 45  ? -2.060  -12.993 -5.414  1.000 19.462 0 45  GLY A O   1 ? 
ATOM   330  N  N   . ILE A 1 46  ? -3.960  -13.897 -4.647  1.000 12.840 0 46  ILE A N   1 ? 
ATOM   331  C  CA  . ILE A 1 46  ? -3.248  -14.946 -3.918  1.000 11.945 0 46  ILE A CA  1 ? 
ATOM   332  C  C   . ILE A 1 46  ? -2.921  -16.069 -4.899  1.000 10.612 0 46  ILE A C   1 ? 
ATOM   333  O  O   . ILE A 1 46  ? -3.828  -16.544 -5.594  1.000 11.451 0 46  ILE A O   1 ? 
ATOM   334  C  CB  . ILE A 1 46  ? -4.077  -15.464 -2.707  1.000 12.276 0 46  ILE A CB  1 ? 
ATOM   335  C  CG1 . ILE A 1 46  ? -4.220  -14.365 -1.666  1.000 15.536 0 46  ILE A CG1 1 ? 
ATOM   336  C  CG2 . ILE A 1 46  ? -3.521  -16.745 -2.079  1.000 12.467 0 46  ILE A CG2 1 ? 
ATOM   337  C  CD1 . ILE A 1 46  ? -5.125  -14.747 -0.504  1.000 16.481 0 46  ILE A CD1 1 ? 
ATOM   338  N  N   . GLN A 1 47  ? -1.678  -16.576 -4.840  1.000 9.657  0 47  GLN A N   1 ? 
ATOM   339  C  CA  . GLN A 1 47  ? -1.359  -17.888 -5.375  1.000 8.669  0 47  GLN A CA  1 ? 
ATOM   340  C  C   . GLN A 1 47  ? -1.093  -18.840 -4.221  1.000 9.159  0 47  GLN A C   1 ? 
ATOM   341  O  O   . GLN A 1 47  ? -0.290  -18.523 -3.330  1.000 9.746  0 47  GLN A O   1 ? 
ATOM   342  C  CB  . GLN A 1 47  ? -0.102  -17.830 -6.246  1.000 9.440  0 47  GLN A CB  1 ? 
ATOM   343  C  CG  . GLN A 1 47  ? 0.235   -19.122 -6.996  1.000 10.637 0 47  GLN A CG  1 ? 
ATOM   344  C  CD  . GLN A 1 47  ? 1.554   -18.993 -7.734  1.000 11.311 0 47  GLN A CD  1 ? 
ATOM   345  O  OE1 . GLN A 1 47  ? 2.613   -18.719 -7.161  1.000 11.506 0 47  GLN A OE1 1 ? 
ATOM   346  N  NE2 . GLN A 1 47  ? 1.496   -19.124 -9.047  1.000 13.750 0 47  GLN A NE2 1 ? 
ATOM   347  N  N   . VAL A 1 48  ? -1.718  -20.019 -4.263  1.000 7.794  0 48  VAL A N   1 ? 
ATOM   348  C  CA  . VAL A 1 48  ? -1.480  -21.027 -3.257  1.000 8.580  0 48  VAL A CA  1 ? 
ATOM   349  C  C   . VAL A 1 48  ? -0.363  -21.962 -3.723  1.000 9.031  0 48  VAL A C   1 ? 
ATOM   350  O  O   . VAL A 1 48  ? -0.345  -22.413 -4.853  1.000 9.193  0 48  VAL A O   1 ? 
ATOM   351  C  CB  . VAL A 1 48  ? -2.781  -21.815 -3.029  1.000 9.484  0 48  VAL A CB  1 ? 
ATOM   352  C  CG1 . VAL A 1 48  ? -2.581  -22.955 -2.044  1.000 10.728 0 48  VAL A CG1 1 ? 
ATOM   353  C  CG2 . VAL A 1 48  ? -3.866  -20.891 -2.518  1.000 9.898  0 48  VAL A CG2 1 ? 
ATOM   354  N  N   . ARG A 1 49  ? 0.594   -22.211 -2.851  1.000 7.908  0 49  ARG A N   1 ? 
ATOM   355  C  CA  . ARG A 1 49  ? 1.746   -23.043 -3.153  1.000 7.649  0 49  ARG A CA  1 ? 
ATOM   356  C  C   . ARG A 1 49  ? 1.729   -24.273 -2.252  1.000 7.289  0 49  ARG A C   1 ? 
ATOM   357  O  O   . ARG A 1 49  ? 1.824   -24.179 -1.017  1.000 7.724  0 49  ARG A O   1 ? 
ATOM   358  C  CB  . ARG A 1 49  ? 3.028   -22.259 -3.022  1.000 8.176  0 49  ARG A CB  1 ? 
ATOM   359  C  CG  . ARG A 1 49  ? 3.045   -21.124 -4.045  1.000 8.311  0 49  ARG A CG  1 ? 
ATOM   360  C  CD  . ARG A 1 49  ? 4.425   -20.489 -4.157  1.000 8.605  0 49  ARG A CD  1 ? 
ATOM   361  N  NE  . ARG A 1 49  ? 4.483   -19.550 -5.279  1.000 8.695  0 49  ARG A NE  1 ? 
ATOM   362  C  CZ  . ARG A 1 49  ? 5.609   -19.199 -5.882  1.000 9.641  0 49  ARG A CZ  1 ? 
ATOM   363  N  NH1 . ARG A 1 49  ? 6.772   -19.451 -5.292  1.000 11.684 0 49  ARG A NH1 1 ? 
ATOM   364  N  NH2 . ARG A 1 49  ? 5.536   -18.649 -7.064  1.000 10.440 0 49  ARG A NH2 1 ? 
ATOM   365  N  N   . LEU A 1 50  ? 1.518   -25.418 -2.885  1.000 8.479  0 50  LEU A N   1 ? 
ATOM   366  C  CA  . LEU A 1 50  ? 1.379   -26.711 -2.245  1.000 8.709  0 50  LEU A CA  1 ? 
ATOM   367  C  C   . LEU A 1 50  ? 2.666   -27.483 -2.472  1.000 8.742  0 50  LEU A C   1 ? 
ATOM   368  O  O   . LEU A 1 50  ? 3.416   -27.180 -3.387  1.000 8.857  0 50  LEU A O   1 ? 
ATOM   369  C  CB  . LEU A 1 50  ? 0.163   -27.425 -2.830  1.000 10.626 0 50  LEU A CB  1 ? 
ATOM   370  C  CG  . LEU A 1 50  ? -1.167  -26.685 -2.743  1.000 13.644 0 50  LEU A CG  1 ? 
ATOM   371  C  CD1 . LEU A 1 50  ? -1.549  -25.982 -4.031  1.000 18.596 0 50  LEU A CD1 1 ? 
ATOM   372  C  CD2 . LEU A 1 50  ? -2.254  -27.673 -2.390  1.000 17.753 0 50  LEU A CD2 1 ? 
ATOM   373  N  N   . GLY A 1 51  ? 2.926   -28.465 -1.626  1.000 9.050  0 51  GLY A N   1 ? 
ATOM   374  C  CA  . GLY A 1 51  ? 4.074   -29.324 -1.807  1.000 8.313  0 51  GLY A CA  1 ? 
ATOM   375  C  C   . GLY A 1 51  ? 5.413   -28.640 -1.531  1.000 8.158  0 51  GLY A C   1 ? 
ATOM   376  O  O   . GLY A 1 51  ? 6.440   -29.116 -1.998  1.000 8.918  0 51  GLY A O   1 ? 
ATOM   377  N  N   . GLU A 1 52  ? 5.407   -27.535 -0.783  1.000 7.460  0 52  GLU A N   1 ? 
ATOM   378  C  CA  . GLU A 1 52  ? 6.652   -26.799 -0.587  1.000 7.626  0 52  GLU A CA  1 ? 
ATOM   379  C  C   . GLU A 1 52  ? 7.430   -27.354 0.597   1.000 7.318  0 52  GLU A C   1 ? 
ATOM   380  O  O   . GLU A 1 52  ? 6.834   -27.722 1.616   1.000 8.880  0 52  GLU A O   1 ? 
ATOM   381  C  CB  . GLU A 1 52  ? 6.308   -25.353 -0.235  1.000 8.906  0 52  GLU A CB  1 ? 
ATOM   382  C  CG  . GLU A 1 52  ? 5.852   -24.522 -1.421  1.000 8.811  0 52  GLU A CG  1 ? 
ATOM   383  C  CD  . GLU A 1 52  ? 6.976   -24.100 -2.309  1.000 8.449  0 52  GLU A CD  1 ? 
ATOM   384  O  OE1 . GLU A 1 52  ? 8.061   -24.713 -2.171  1.000 9.704  0 52  GLU A OE1 1 ? 
ATOM   385  O  OE2 . GLU A 1 52  ? 6.828   -23.084 -3.070  1.000 9.475  0 52  GLU A OE2 1 ? 
ATOM   386  N  N   . ASP A 1 53  ? 8.770   -27.301 0.487   1.000 7.717  0 53  ASP A N   1 ? 
ATOM   387  C  CA  . ASP A 1 53  ? 9.654   -27.329 1.659   1.000 8.204  0 53  ASP A CA  1 ? 
ATOM   388  C  C   . ASP A 1 53  ? 10.452  -26.029 1.649   1.000 8.047  0 53  ASP A C   1 ? 
ATOM   389  O  O   . ASP A 1 53  ? 10.067  -25.077 2.318   1.000 8.985  0 53  ASP A O   1 ? 
ATOM   390  C  CB  . ASP A 1 53  ? 10.536  -28.559 1.756   1.000 8.574  0 53  ASP A CB  1 ? 
ATOM   391  C  CG  . ASP A 1 53  ? 11.231  -28.617 3.105   1.000 8.596  0 53  ASP A CG  1 ? 
ATOM   392  O  OD1 . ASP A 1 53  ? 10.572  -28.361 4.138   1.000 10.153 0 53  ASP A OD1 1 ? 
ATOM   393  O  OD2 . ASP A 1 53  ? 12.453  -28.905 3.147   1.000 11.239 0 53  ASP A OD2 1 ? 
ATOM   394  N  N   . ASN A 1 54  ? 11.530  -25.946 0.860   1.000 8.163  0 54  ASN A N   1 ? 
ATOM   395  C  CA  . ASN A 1 54  ? 12.218  -24.680 0.703   1.000 9.027  0 54  ASN A CA  1 ? 
ATOM   396  C  C   . ASN A 1 54  ? 11.355  -23.764 -0.164  1.000 9.053  0 54  ASN A C   1 ? 
ATOM   397  O  O   . ASN A 1 54  ? 11.175  -24.050 -1.355  1.000 9.188  0 54  ASN A O   1 ? 
ATOM   398  C  CB  . ASN A 1 54  ? 13.592  -24.929 0.087   1.000 8.796  0 54  ASN A CB  1 ? 
ATOM   399  C  CG  . ASN A 1 54  ? 14.447  -23.694 0.143   1.000 9.750  0 54  ASN A CG  1 ? 
ATOM   400  O  OD1 . ASN A 1 54  ? 13.991  -22.573 -0.107  1.000 9.433  0 54  ASN A OD1 1 ? 
ATOM   401  N  ND2 . ASN A 1 54  ? 15.685  -23.847 0.576   1.000 11.436 0 54  ASN A ND2 1 ? 
ATOM   402  N  N   . ILE A 1 55  ? 10.898  -22.627 0.389   1.000 8.840  0 55  ILE A N   1 ? 
ATOM   403  C  CA  . ILE A 1 55  ? 9.991   -21.768 -0.361  1.000 8.956  0 55  ILE A CA  1 ? 
ATOM   404  C  C   . ILE A 1 55  ? 10.732  -20.888 -1.358  1.000 7.700  0 55  ILE A C   1 ? 
ATOM   405  O  O   . ILE A 1 55  ? 10.053  -20.228 -2.145  1.000 8.750  0 55  ILE A O   1 ? 
ATOM   406  C  CB  . ILE A 1 55  ? 9.080   -20.898 0.517   1.000 9.359  0 55  ILE A CB  1 ? 
ATOM   407  C  CG1 . ILE A 1 55  ? 9.875   -20.150 1.615   1.000 11.389 0 55  ILE A CG1 1 ? 
ATOM   408  C  CG2 . ILE A 1 55  ? 7.927   -21.736 1.044   1.000 9.216  0 55  ILE A CG2 1 ? 
ATOM   409  C  CD1 . ILE A 1 55  ? 9.055   -19.025 2.259   1.000 12.571 0 55  ILE A CD1 1 ? 
ATOM   410  N  N   . ASN A 1 56  ? 12.063  -20.930 -1.366  1.000 8.422  0 56  ASN A N   1 ? 
ATOM   411  C  CA  . ASN A 1 56  ? 12.855  -20.111 -2.266  1.000 9.290  0 56  ASN A CA  1 ? 
ATOM   412  C  C   . ASN A 1 56  ? 13.486  -20.952 -3.374  1.000 9.986  0 56  ASN A C   1 ? 
ATOM   413  O  O   . ASN A 1 56  ? 14.184  -20.393 -4.219  1.000 10.146 0 56  ASN A O   1 ? 
ATOM   414  C  CB  . ASN A 1 56  ? 13.914  -19.313 -1.517  1.000 9.573  0 56  ASN A CB  1 ? 
ATOM   415  C  CG  . ASN A 1 56  ? 13.387  -17.972 -1.035  1.000 12.790 0 56  ASN A CG  1 ? 
ATOM   416  O  OD1 . ASN A 1 56  ? 12.687  -17.263 -1.775  1.000 11.904 0 56  ASN A OD1 1 ? 
ATOM   417  N  ND2 . ASN A 1 56  ? 13.773  -17.562 0.173   1.000 15.157 0 56  ASN A ND2 1 ? 
ATOM   418  N  N   . VAL A 1 57  ? 13.314  -22.295 -3.367  1.000 9.040  0 57  VAL A N   1 ? 
ATOM   419  C  CA  . VAL A 1 57  ? 13.931  -23.138 -4.361  1.000 9.565  0 57  VAL A CA  1 ? 
ATOM   420  C  C   . VAL A 1 57  ? 12.887  -24.102 -4.874  1.000 9.139  0 57  VAL A C   1 ? 
ATOM   421  O  O   . VAL A 1 57  ? 12.173  -24.721 -4.083  1.000 9.886  0 57  VAL A O   1 ? 
ATOM   422  C  CB  . VAL A 1 57  ? 15.097  -23.907 -3.720  1.000 10.609 0 57  VAL A CB  1 ? 
ATOM   423  C  CG1 . VAL A 1 57  ? 15.768  -24.837 -4.740  1.000 11.075 0 57  VAL A CG1 1 ? 
ATOM   424  C  CG2 . VAL A 1 57  ? 16.129  -22.969 -3.095  1.000 10.043 0 57  VAL A CG2 1 ? 
ATOM   425  N  N   . VAL A 1 58  ? 12.814  -24.246 -6.190  1.000 8.771  0 58  VAL A N   1 ? 
ATOM   426  C  CA  . VAL A 1 58  ? 11.979  -25.304 -6.774  1.000 10.122 0 58  VAL A CA  1 ? 
ATOM   427  C  C   . VAL A 1 58  ? 12.653  -26.659 -6.626  1.000 10.657 0 58  VAL A C   1 ? 
ATOM   428  O  O   . VAL A 1 58  ? 13.783  -26.881 -7.132  1.000 12.508 0 58  VAL A O   1 ? 
ATOM   429  C  CB  . VAL A 1 58  ? 11.636  -25.010 -8.238  1.000 12.098 0 58  VAL A CB  1 ? 
ATOM   430  C  CG1 . VAL A 1 58  ? 10.755  -26.143 -8.813  1.000 14.066 0 58  VAL A CG1 1 ? 
ATOM   431  C  CG2 . VAL A 1 58  ? 10.971  -23.659 -8.392  1.000 13.810 0 58  VAL A CG2 1 ? 
ATOM   432  N  N   . GLU A 1 59  ? 11.990  -27.559 -5.862  1.000 10.170 0 59  GLU A N   1 ? 
ATOM   433  C  CA  . GLU A 1 59  ? 12.593  -28.817 -5.448  1.000 10.786 0 59  GLU A CA  1 ? 
ATOM   434  C  C   . GLU A 1 59  ? 11.935  -30.003 -6.129  1.000 10.893 0 59  GLU A C   1 ? 
ATOM   435  O  O   . GLU A 1 59  ? 12.516  -31.082 -6.095  1.000 13.608 0 59  GLU A O   1 ? 
ATOM   436  C  CB  . GLU A 1 59  ? 12.608  -29.011 -3.935  1.000 10.110 0 59  GLU A CB  1 ? 
ATOM   437  C  CG  . GLU A 1 59  ? 13.445  -27.979 -3.204  1.000 11.375 0 59  GLU A CG  1 ? 
ATOM   438  C  CD  . GLU A 1 59  ? 13.443  -28.111 -1.706  1.000 12.957 0 59  GLU A CD  1 ? 
ATOM   439  O  OE1 . GLU A 1 59  ? 12.383  -27.875 -1.095  1.000 12.206 0 59  GLU A OE1 1 ? 
ATOM   440  O  OE2 . GLU A 1 59  ? 14.509  -28.398 -1.118  1.000 17.744 0 59  GLU A OE2 1 ? 
ATOM   441  N  N   . GLY A 1 60  ? 10.738  -29.847 -6.675  1.000 10.996 0 60  GLY A N   1 ? 
ATOM   442  C  CA  . GLY A 1 60  ? 10.190  -30.858 -7.564  1.000 12.259 0 60  GLY A CA  1 ? 
ATOM   443  C  C   . GLY A 1 60  ? 8.842   -31.424 -7.126  1.000 12.032 0 60  GLY A C   1 ? 
ATOM   444  O  O   . GLY A 1 60  ? 8.277   -32.196 -7.882  1.000 14.954 0 60  GLY A O   1 ? 
ATOM   445  N  N   . ASN A 1 61  ? 8.310   -31.058 -5.947  1.000 10.822 0 61  ASN A N   1 ? 
ATOM   446  C  CA  . ASN A 1 61  ? 6.992   -31.558 -5.547  1.000 11.302 0 61  ASN A CA  1 ? 
ATOM   447  C  C   . ASN A 1 61  ? 5.942   -30.436 -5.453  1.000 10.449 0 61  ASN A C   1 ? 
ATOM   448  O  O   . ASN A 1 61  ? 4.816   -30.665 -4.992  1.000 11.201 0 61  ASN A O   1 ? 
ATOM   449  C  CB  . ASN A 1 61  ? 7.099   -32.298 -4.228  1.000 13.423 0 61  ASN A CB  1 ? 
ATOM   450  C  CG  . ASN A 1 61  ? 7.876   -33.568 -4.415  1.000 15.394 0 61  ASN A CG  1 ? 
ATOM   451  O  OD1 . ASN A 1 61  ? 7.437   -34.450 -5.162  1.000 17.544 0 61  ASN A OD1 1 ? 
ATOM   452  N  ND2 . ASN A 1 61  ? 9.020   -33.669 -3.775  1.000 16.741 0 61  ASN A ND2 1 ? 
ATOM   453  N  N   . GLU A 1 62  ? 6.297   -29.241 -5.894  1.000 9.667  0 62  GLU A N   1 ? 
ATOM   454  C  CA  . GLU A 1 62  ? 5.381   -28.108 -5.822  1.000 10.111 0 62  GLU A CA  1 ? 
ATOM   455  C  C   . GLU A 1 62  ? 4.204   -28.223 -6.791  1.000 10.738 0 62  GLU A C   1 ? 
ATOM   456  O  O   . GLU A 1 62  ? 4.315   -28.700 -7.923  1.000 11.341 0 62  GLU A O   1 ? 
ATOM   457  C  CB  . GLU A 1 62  ? 6.095   -26.778 -6.074  1.000 9.785  0 62  GLU A CB  1 ? 
ATOM   458  C  CG  . GLU A 1 62  ? 7.246   -26.464 -5.107  1.000 9.572  0 62  GLU A CG  1 ? 
ATOM   459  C  CD  . GLU A 1 62  ? 8.629   -26.928 -5.528  1.000 10.020 0 62  GLU A CD  1 ? 
ATOM   460  O  OE1 . GLU A 1 62  ? 8.722   -27.768 -6.474  1.000 10.957 0 62  GLU A OE1 1 ? 
ATOM   461  O  OE2 . GLU A 1 62  ? 9.603   -26.505 -4.864  1.000 10.117 0 62  GLU A OE2 1 ? 
ATOM   462  N  N   . GLN A 1 63  ? 3.084   -27.624 -6.368  1.000 10.199 0 63  GLN A N   1 ? 
ATOM   463  C  CA  . GLN A 1 63  ? 1.982   -27.222 -7.226  1.000 9.692  0 63  GLN A CA  1 ? 
ATOM   464  C  C   . GLN A 1 63  ? 1.619   -25.788 -6.885  1.000 10.754 0 63  GLN A C   1 ? 
ATOM   465  O  O   . GLN A 1 63  ? 1.331   -25.507 -5.727  1.000 10.636 0 63  GLN A O   1 ? 
ATOM   466  C  CB  . GLN A 1 63  ? 0.751   -28.113 -7.039  1.000 10.465 0 63  GLN A CB  1 ? 
ATOM   467  C  CG  . GLN A 1 63  ? 1.057   -29.574 -7.302  1.000 11.039 0 63  GLN A CG  1 ? 
ATOM   468  C  CD  . GLN A 1 63  ? -0.121  -30.490 -7.056  1.000 11.617 0 63  GLN A CD  1 ? 
ATOM   469  O  OE1 . GLN A 1 63  ? -1.259  -30.181 -7.450  1.000 12.680 0 63  GLN A OE1 1 ? 
ATOM   470  N  NE2 . GLN A 1 63  ? 0.154   -31.603 -6.411  1.000 12.266 0 63  GLN A NE2 1 ? 
ATOM   471  N  N   . PHE A 1 64  ? 1.677   -24.898 -7.878  1.000 9.650  0 64  PHE A N   1 ? 
ATOM   472  C  CA  . PHE A 1 64  ? 1.296   -23.518 -7.701  1.000 10.615 0 64  PHE A CA  1 ? 
ATOM   473  C  C   . PHE A 1 64  ? -0.040  -23.288 -8.408  1.000 11.072 0 64  PHE A C   1 ? 
ATOM   474  O  O   . PHE A 1 64  ? -0.123  -23.491 -9.619  1.000 12.375 0 64  PHE A O   1 ? 
ATOM   475  C  CB  . PHE A 1 64  ? 2.318   -22.599 -8.355  1.000 10.493 0 64  PHE A CB  1 ? 
ATOM   476  C  CG  . PHE A 1 64  ? 3.742   -22.673 -7.827  1.000 11.046 0 64  PHE A CG  1 ? 
ATOM   477  C  CD1 . PHE A 1 64  ? 4.060   -23.288 -6.621  1.000 10.898 0 64  PHE A CD1 1 ? 
ATOM   478  C  CD2 . PHE A 1 64  ? 4.754   -22.024 -8.524  1.000 13.180 0 64  PHE A CD2 1 ? 
ATOM   479  C  CE1 . PHE A 1 64  ? 5.365   -23.315 -6.161  1.000 11.305 0 64  PHE A CE1 1 ? 
ATOM   480  C  CE2 . PHE A 1 64  ? 6.054   -22.061 -8.063  1.000 13.160 0 64  PHE A CE2 1 ? 
ATOM   481  C  CZ  . PHE A 1 64  ? 6.350   -22.709 -6.867  1.000 11.027 0 64  PHE A CZ  1 ? 
ATOM   482  N  N   . ILE A 1 65  ? -1.070  -22.860 -7.677  1.000 10.139 0 65  ILE A N   1 ? 
ATOM   483  C  CA  . ILE A 1 65  ? -2.404  -22.743 -8.217  1.000 9.695  0 65  ILE A CA  1 ? 
ATOM   484  C  C   . ILE A 1 65  ? -2.994  -21.416 -7.745  1.000 9.405  0 65  ILE A C   1 ? 
ATOM   485  O  O   . ILE A 1 65  ? -3.042  -21.193 -6.535  1.000 9.503  0 65  ILE A O   1 ? 
ATOM   486  C  CB  . ILE A 1 65  ? -3.270  -23.914 -7.770  1.000 10.768 0 65  ILE A CB  1 ? 
ATOM   487  C  CG1 . ILE A 1 65  ? -2.664  -25.244 -8.159  1.000 11.330 0 65  ILE A CG1 1 ? 
ATOM   488  C  CG2 . ILE A 1 65  ? -4.677  -23.723 -8.326  1.000 10.189 0 65  ILE A CG2 1 ? 
ATOM   489  C  CD1 . ILE A 1 65  ? -3.395  -26.436 -7.574  1.000 12.328 0 65  ILE A CD1 1 ? 
ATOM   490  N  N   . SER A 1 66  ? -3.418  -20.537 -8.667  1.000 11.757 0 66  SER A N   1 ? 
ATOM   491  C  CA  . SER A 1 66  ? -4.059  -19.272 -8.294  1.000 12.051 0 66  SER A CA  1 ? 
ATOM   492  C  C   . SER A 1 66  ? -5.395  -19.487 -7.576  1.000 10.913 0 66  SER A C   1 ? 
ATOM   493  O  O   . SER A 1 66  ? -6.124  -20.423 -7.897  1.000 11.742 0 66  SER A O   1 ? 
ATOM   494  C  CB  . SER A 1 66  ? -4.303  -18.442 -9.530  1.000 15.201 0 66  SER A CB  1 ? 
ATOM   495  O  OG  . SER A 1 66  ? -3.070  -18.109 -10.131 1.000 19.272 0 66  SER A OG  1 ? 
ATOM   496  N  N   . ALA A 1 67  ? -5.712  -18.633 -6.600  1.000 9.985  0 67  ALA A N   1 ? 
ATOM   497  C  CA  . ALA A 1 67  ? -7.027  -18.626 -5.995  1.000 10.685 0 67  ALA A CA  1 ? 
ATOM   498  C  C   . ALA A 1 67  ? -8.033  -18.005 -6.957  1.000 11.438 0 67  ALA A C   1 ? 
ATOM   499  O  O   . ALA A 1 67  ? -7.737  -17.017 -7.620  1.000 13.313 0 67  ALA A O   1 ? 
ATOM   500  C  CB  . ALA A 1 67  ? -6.976  -17.851 -4.707  1.000 10.739 0 67  ALA A CB  1 ? 
ATOM   501  N  N   . SER A 1 68  ? -9.246  -18.577 -6.979  1.000 11.503 0 68  SER A N   1 ? 
ATOM   502  C  CA  . SER A 1 68  ? -10.329 -17.972 -7.738  1.000 12.474 0 68  SER A CA  1 ? 
ATOM   503  C  C   . SER A 1 68  ? -11.226 -17.095 -6.873  1.000 11.685 0 68  SER A C   1 ? 
ATOM   504  O  O   . SER A 1 68  ? -11.867 -16.174 -7.380  1.000 12.034 0 68  SER A O   1 ? 
ATOM   505  C  CB  . SER A 1 68  ? -11.151 -18.995 -8.431  1.000 13.065 0 68  SER A CB  1 ? 
ATOM   506  O  OG  . SER A 1 68  ? -11.656 -19.911 -7.502  1.000 14.905 0 68  SER A OG  1 ? 
ATOM   507  N  N   . LYS A 1 69  ? -11.281 -17.389 -5.578  1.000 11.386 0 69  LYS A N   1 ? 
ATOM   508  C  CA  . LYS A 1 69  ? -12.179 -16.676 -4.685  1.000 12.926 0 69  LYS A CA  1 ? 
ATOM   509  C  C   . LYS A 1 69  ? -11.686 -16.813 -3.254  1.000 11.916 0 69  LYS A C   1 ? 
ATOM   510  O  O   . LYS A 1 69  ? -11.130 -17.828 -2.911  1.000 12.601 0 69  LYS A O   1 ? 
ATOM   511  C  CB  . LYS A 1 69  ? -13.570 -17.305 -4.865  1.000 18.928 0 69  LYS A CB  1 ? 
ATOM   512  C  CG  . LYS A 1 69  ? -14.681 -16.947 -3.892  1.000 27.025 0 69  LYS A CG  1 ? 
ATOM   513  C  CD  . LYS A 1 69  ? -15.977 -17.742 -4.062  1.000 28.227 0 69  LYS A CD  1 ? 
ATOM   514  C  CE  . LYS A 1 69  ? -16.836 -17.369 -5.232  1.000 31.513 0 69  LYS A CE  1 ? 
ATOM   515  N  NZ  . LYS A 1 69  ? -18.195 -17.921 -5.104  1.000 31.588 0 69  LYS A NZ  1 ? 
ATOM   516  N  N   . SER A 1 70  ? -11.848 -15.760 -2.460  1.000 10.392 0 70  SER A N   1 ? 
ATOM   517  C  CA  . SER A 1 70  ? -11.578 -15.818 -1.038  1.000 11.361 0 70  SER A CA  1 ? 
ATOM   518  C  C   . SER A 1 70  ? -12.857 -15.434 -0.311  1.000 11.156 0 70  SER A C   1 ? 
ATOM   519  O  O   . SER A 1 70  ? -13.570 -14.556 -0.789  1.000 11.787 0 70  SER A O   1 ? 
ATOM   520  C  CB  . SER A 1 70  ? -10.428 -14.933 -0.671  1.000 14.294 0 70  SER A CB  1 ? 
ATOM   521  O  OG  . SER A 1 70  ? -9.196  -15.486 -1.128  1.000 18.337 0 70  SER A OG  1 ? 
ATOM   522  N  N   . ILE A 1 71  ? -13.129 -16.098 0.822   1.000 8.903  0 71  ILE A N   1 ? 
ATOM   523  C  CA  . ILE A 1 71  ? -14.323 -15.853 1.626   1.000 9.129  0 71  ILE A CA  1 ? 
ATOM   524  C  C   . ILE A 1 71  ? -13.874 -15.679 3.062   1.000 7.861  0 71  ILE A C   1 ? 
ATOM   525  O  O   . ILE A 1 71  ? -13.539 -16.637 3.735   1.000 8.264  0 71  ILE A O   1 ? 
ATOM   526  C  CB  . ILE A 1 71  ? -15.358 -16.982 1.504   1.000 9.264  0 71  ILE A CB  1 ? 
ATOM   527  C  CG1 . ILE A 1 71  ? -15.684 -17.232 0.026   1.000 10.750 0 71  ILE A CG1 1 ? 
ATOM   528  C  CG2 . ILE A 1 71  ? -16.605 -16.733 2.382   1.000 9.444  0 71  ILE A CG2 1 ? 
ATOM   529  C  CD1 . ILE A 1 71  ? -16.498 -18.482 -0.227  1.000 11.884 0 71  ILE A CD1 1 ? 
ATOM   530  N  N   . VAL A 1 72  ? -13.910 -14.444 3.522   1.000 7.686  0 72  VAL A N   1 ? 
ATOM   531  C  CA  . VAL A 1 72  ? -13.672 -14.119 4.921   1.000 7.053  0 72  VAL A CA  1 ? 
ATOM   532  C  C   . VAL A 1 72  ? -14.927 -14.460 5.728   1.000 7.557  0 72  VAL A C   1 ? 
ATOM   533  O  O   . VAL A 1 72  ? -16.059 -14.293 5.289   1.000 9.236  0 72  VAL A O   1 ? 
ATOM   534  C  CB  . VAL A 1 72  ? -13.290 -12.629 5.032   1.000 7.967  0 72  VAL A CB  1 ? 
ATOM   535  C  CG1 . VAL A 1 72  ? -13.303 -12.151 6.467   1.000 8.229  0 72  VAL A CG1 1 ? 
ATOM   536  C  CG2 . VAL A 1 72  ? -11.942 -12.346 4.401   1.000 8.415  0 72  VAL A CG2 1 ? 
ATOM   537  N  N   . HIS A 1 73  ? -14.735 -14.964 6.937   1.000 6.611  0 73  HIS A N   1 ? 
ATOM   538  C  CA  . HIS A 1 73  ? -15.847 -15.291 7.793   1.000 7.769  0 73  HIS A CA  1 ? 
ATOM   539  C  C   . HIS A 1 73  ? -16.777 -14.084 7.937   1.000 7.660  0 73  HIS A C   1 ? 
ATOM   540  O  O   . HIS A 1 73  ? -16.334 -12.926 8.081   1.000 8.155  0 73  HIS A O   1 ? 
ATOM   541  C  CB  . HIS A 1 73  ? -15.379 -15.716 9.189   1.000 8.085  0 73  HIS A CB  1 ? 
ATOM   542  C  CG  . HIS A 1 73  ? -16.522 -16.335 9.931   1.000 9.695  0 73  HIS A CG  1 ? 
ATOM   543  N  ND1 . HIS A 1 73  ? -17.402 -15.612 10.716  1.000 9.650  0 73  HIS A ND1 1 ? 
ATOM   544  C  CD2 . HIS A 1 73  ? -16.886 -17.653 10.057  1.000 8.573  0 73  HIS A CD2 1 ? 
ATOM   545  C  CE1 . HIS A 1 73  ? -18.303 -16.456 11.221  1.000 9.941  0 73  HIS A CE1 1 ? 
ATOM   546  N  NE2 . HIS A 1 73  ? -18.034 -17.678 10.800  1.000 10.507 0 73  HIS A NE2 1 ? 
ATOM   547  N  N   . PRO A 1 74  ? -18.113 -14.300 7.878   1.000 8.144  0 74  PRO A N   1 ? 
ATOM   548  C  CA  . PRO A 1 74  ? -19.066 -13.179 7.908   1.000 8.364  0 74  PRO A CA  1 ? 
ATOM   549  C  C   . PRO A 1 74  ? -19.045 -12.349 9.183   1.000 8.602  0 74  PRO A C   1 ? 
ATOM   550  O  O   . PRO A 1 74  ? -19.538 -11.212 9.108   1.000 10.347 0 74  PRO A O   1 ? 
ATOM   551  C  CB  . PRO A 1 74  ? -20.440 -13.835 7.676   1.000 9.102  0 74  PRO A CB  1 ? 
ATOM   552  C  CG  . PRO A 1 74  ? -20.218 -15.244 8.094   1.000 8.969  0 74  PRO A CG  1 ? 
ATOM   553  C  CD  . PRO A 1 74  ? -18.787 -15.580 7.657   1.000 8.285  0 74  PRO A CD  1 ? 
ATOM   554  N  N   . SER A 1 75  ? -18.486 -12.864 10.267  1.000 8.097  0 75  SER A N   1 ? 
ATOM   555  C  CA  . SER A 1 75  ? -18.434 -12.145 11.539  1.000 8.471  0 75  SER A CA  1 ? 
ATOM   556  C  C   . SER A 1 75  ? -17.007 -11.774 11.947  1.000 8.274  0 75  SER A C   1 ? 
ATOM   557  O  O   . SER A 1 75  ? -16.771 -11.397 13.121  1.000 8.063  0 75  SER A O   1 ? 
ATOM   558  C  CB  . SER A 1 75  ? -19.130 -12.931 12.641  1.000 10.637 0 75  SER A CB  1 ? 
ATOM   559  O  OG  . SER A 1 75  ? -20.500 -13.107 12.284  1.000 12.919 0 75  SER A OG  1 ? 
ATOM   560  N  N   . TYR A 1 76  ? -16.089 -11.822 10.998  1.000 7.146  0 76  TYR A N   1 ? 
ATOM   561  C  CA  . TYR A 1 76  ? -14.697 -11.492 11.333  1.000 7.302  0 76  TYR A CA  1 ? 
ATOM   562  C  C   . TYR A 1 76  ? -14.625 -10.049 11.825  1.000 7.563  0 76  TYR A C   1 ? 
ATOM   563  O  O   . TYR A 1 76  ? -15.065 -9.145  11.123  1.000 7.604  0 76  TYR A O   1 ? 
ATOM   564  C  CB  . TYR A 1 76  ? -13.809 -11.703 10.112  1.000 6.726  0 76  TYR A CB  1 ? 
ATOM   565  C  CG  . TYR A 1 76  ? -12.400 -11.133 10.264  1.000 7.096  0 76  TYR A CG  1 ? 
ATOM   566  C  CD1 . TYR A 1 76  ? -11.610 -11.561 11.301  1.000 7.193  0 76  TYR A CD1 1 ? 
ATOM   567  C  CD2 . TYR A 1 76  ? -11.894 -10.176 9.405   1.000 7.231  0 76  TYR A CD2 1 ? 
ATOM   568  C  CE1 . TYR A 1 76  ? -10.302 -11.136 11.445  1.000 6.974  0 76  TYR A CE1 1 ? 
ATOM   569  C  CE2 . TYR A 1 76  ? -10.586 -9.727  9.550   1.000 6.966  0 76  TYR A CE2 1 ? 
ATOM   570  C  CZ  . TYR A 1 76  ? -9.800  -10.162 10.609  1.000 7.710  0 76  TYR A CZ  1 ? 
ATOM   571  O  OH  . TYR A 1 76  ? -8.506  -9.703  10.769  1.000 8.375  0 76  TYR A OH  1 ? 
ATOM   572  N  N   . ASN A 1 77  ? -13.911 -9.849  12.947  1.000 7.921  0 77  ASN A N   1 ? 
ATOM   573  C  CA  . ASN A 1 77  ? -13.628 -8.516  13.466  1.000 7.885  0 77  ASN A CA  1 ? 
ATOM   574  C  C   . ASN A 1 77  ? -12.127 -8.304  13.498  1.000 7.916  0 77  ASN A C   1 ? 
ATOM   575  O  O   . ASN A 1 77  ? -11.439 -9.009  14.224  1.000 8.249  0 77  ASN A O   1 ? 
ATOM   576  C  CB  . ASN A 1 77  ? -14.279 -8.397  14.832  1.000 8.332  0 77  ASN A CB  1 ? 
ATOM   577  C  CG  . ASN A 1 77  ? -14.082 -7.039  15.465  1.000 10.997 0 77  ASN A CG  1 ? 
ATOM   578  O  OD1 . ASN A 1 77  ? -13.012 -6.434  15.393  1.000 10.169 0 77  ASN A OD1 1 ? 
ATOM   579  N  ND2 . ASN A 1 77  ? -15.122 -6.543  16.101  1.000 14.800 0 77  ASN A ND2 1 ? 
ATOM   580  N  N   . SER A 1 78  ? -11.657 -7.400  12.657  1.000 7.385  0 78  SER A N   1 ? 
ATOM   581  C  CA  . SER A 1 78  ? -10.233 -7.202  12.528  1.000 7.535  0 78  SER A CA  1 ? 
ATOM   582  C  C   . SER A 1 78  ? -9.620  -6.489  13.724  1.000 8.592  0 78  SER A C   1 ? 
ATOM   583  O  O   . SER A 1 78  ? -8.393  -6.570  13.882  1.000 9.967  0 78  SER A O   1 ? 
ATOM   584  C  CB  . SER A 1 78  ? -9.948  -6.463  11.265  1.000 8.334  0 78  SER A CB  1 ? 
ATOM   585  O  OG  . SER A 1 78  ? -10.564 -5.189  11.264  1.000 10.378 0 78  SER A OG  1 ? 
ATOM   586  N  N   . ASN A 1 79  ? -10.410 -5.825  14.560  1.000 8.206  0 79  ASN A N   1 ? 
ATOM   587  C  CA  . ASN A 1 79  ? -9.896  -5.202  15.786  1.000 8.535  0 79  ASN A CA  1 ? 
ATOM   588  C  C   . ASN A 1 79  ? -9.620  -6.243  16.876  1.000 9.413  0 79  ASN A C   1 ? 
ATOM   589  O  O   . ASN A 1 79  ? -8.551  -6.249  17.456  1.000 10.248 0 79  ASN A O   1 ? 
ATOM   590  C  CB  . ASN A 1 79  ? -10.866 -4.122  16.257  1.000 9.204  0 79  ASN A CB  1 ? 
ATOM   591  C  CG  . ASN A 1 79  ? -10.924 -2.982  15.276  1.000 9.177  0 79  ASN A CG  1 ? 
ATOM   592  O  OD1 . ASN A 1 79  ? -9.893  -2.609  14.691  1.000 9.959  0 79  ASN A OD1 1 ? 
ATOM   593  N  ND2 . ASN A 1 79  ? -12.103 -2.411  15.171  1.000 11.801 0 79  ASN A ND2 1 ? 
ATOM   594  N  N   . THR A 1 80  ? -10.534 -7.196  17.080  1.000 8.387  0 80  THR A N   1 ? 
ATOM   595  C  CA  . THR A 1 80  ? -10.430 -8.156  18.162  1.000 8.371  0 80  THR A CA  1 ? 
ATOM   596  C  C   . THR A 1 80  ? -9.884  -9.505  17.683  1.000 9.181  0 80  THR A C   1 ? 
ATOM   597  O  O   . THR A 1 80  ? -9.516  -10.327 18.516  1.000 9.988  0 80  THR A O   1 ? 
ATOM   598  C  CB  . THR A 1 80  ? -11.791 -8.372  18.801  1.000 9.412  0 80  THR A CB  1 ? 
ATOM   599  O  OG1 . THR A 1 80  ? -12.643 -8.993  17.846  1.000 9.983  0 80  THR A OG1 1 ? 
ATOM   600  C  CG2 . THR A 1 80  ? -12.412 -7.076  19.300  1.000 10.098 0 80  THR A CG2 1 ? 
ATOM   601  N  N   . LEU A 1 81  ? -9.868  -9.706  16.349  1.000 8.499  0 81  LEU A N   1 ? 
ATOM   602  C  CA  . LEU A 1 81  ? -9.507  -10.951 15.694  1.000 8.576  0 81  LEU A CA  1 ? 
ATOM   603  C  C   . LEU A 1 81  ? -10.467 -12.073 16.051  1.000 7.728  0 81  LEU A C   1 ? 
ATOM   604  O  O   . LEU A 1 81  ? -10.187 -13.238 15.777  1.000 7.034  0 81  LEU A O   1 ? 
ATOM   605  C  CB  . LEU A 1 81  ? -8.065  -11.345 15.931  1.000 9.116  0 81  LEU A CB  1 ? 
ATOM   606  C  CG  . LEU A 1 81  ? -7.039  -10.375 15.352  1.000 12.139 0 81  LEU A CG  1 ? 
ATOM   607  C  CD1 . LEU A 1 81  ? -5.632  -10.904 15.517  1.000 13.158 0 81  LEU A CD1 1 ? 
ATOM   608  C  CD2 . LEU A 1 81  ? -7.281  -10.083 13.887  1.000 12.591 0 81  LEU A CD2 1 ? 
ATOM   609  N  N   . ASN A 1 82  ? -11.684 -11.735 16.502  1.000 7.647  0 82  ASN A N   1 ? 
ATOM   610  C  CA  . ASN A 1 82  ? -12.730 -12.742 16.650  1.000 7.812  0 82  ASN A CA  1 ? 
ATOM   611  C  C   . ASN A 1 82  ? -13.131 -13.252 15.265  1.000 6.918  0 82  ASN A C   1 ? 
ATOM   612  O  O   . ASN A 1 82  ? -13.299 -12.469 14.344  1.000 7.837  0 82  ASN A O   1 ? 
ATOM   613  C  CB  . ASN A 1 82  ? -13.925 -12.166 17.378  1.000 8.396  0 82  ASN A CB  1 ? 
ATOM   614  C  CG  . ASN A 1 82  ? -14.830 -13.238 17.939  1.000 8.284  0 82  ASN A CG  1 ? 
ATOM   615  O  OD1 . ASN A 1 82  ? -14.412 -14.340 18.302  1.000 8.272  0 82  ASN A OD1 1 ? 
ATOM   616  N  ND2 . ASN A 1 82  ? -16.089 -12.887 18.101  1.000 10.597 0 82  ASN A ND2 1 ? 
ATOM   617  N  N   . ASN A 1 83  ? -13.252 -14.576 15.153  1.000 5.969  0 83  ASN A N   1 ? 
ATOM   618  C  CA  . ASN A 1 83  ? -13.610 -15.233 13.897  1.000 6.672  0 83  ASN A CA  1 ? 
ATOM   619  C  C   . ASN A 1 83  ? -12.523 -15.033 12.834  1.000 6.737  0 83  ASN A C   1 ? 
ATOM   620  O  O   . ASN A 1 83  ? -12.809 -14.757 11.671  1.000 6.470  0 83  ASN A O   1 ? 
ATOM   621  C  CB  . ASN A 1 83  ? -14.991 -14.843 13.374  1.000 7.352  0 83  ASN A CB  1 ? 
ATOM   622  C  CG  . ASN A 1 83  ? -16.109 -14.951 14.383  1.000 8.014  0 83  ASN A CG  1 ? 
ATOM   623  O  OD1 . ASN A 1 83  ? -16.446 -16.044 14.839  1.000 9.131  0 83  ASN A OD1 1 ? 
ATOM   624  N  ND2 . ASN A 1 83  ? -16.609 -13.802 14.801  1.000 8.442  0 83  ASN A ND2 1 ? 
ATOM   625  N  N   . ASP A 1 84  ? -11.269 -15.297 13.219  1.000 6.362  0 84  ASP A N   1 ? 
ATOM   626  C  CA  . ASP A 1 84  ? -10.095 -15.146 12.357  1.000 6.384  0 84  ASP A CA  1 ? 
ATOM   627  C  C   . ASP A 1 84  ? -9.929  -16.370 11.464  1.000 5.791  0 84  ASP A C   1 ? 
ATOM   628  O  O   . ASP A 1 84  ? -9.045  -17.195 11.686  1.000 6.142  0 84  ASP A O   1 ? 
ATOM   629  C  CB  . ASP A 1 84  ? -8.853  -14.769 13.143  1.000 6.551  0 84  ASP A CB  1 ? 
ATOM   630  C  CG  . ASP A 1 84  ? -7.707  -14.278 12.269  1.000 6.865  0 84  ASP A CG  1 ? 
ATOM   631  O  OD1 . ASP A 1 84  ? -7.939  -14.004 11.079  1.000 6.067  0 84  ASP A OD1 1 ? 
ATOM   632  O  OD2 . ASP A 1 84  ? -6.563  -14.223 12.766  1.000 7.928  0 84  ASP A OD2 1 ? 
ATOM   633  N  N   . ILE A 1 85  ? -10.805 -16.434 10.450  1.000 6.697  0 85  ILE A N   1 ? 
ATOM   634  C  CA  . ILE A 1 85  ? -10.867 -17.590 9.568   1.000 6.498  0 85  ILE A CA  1 ? 
ATOM   635  C  C   . ILE A 1 85  ? -11.351 -17.145 8.187   1.000 6.670  0 85  ILE A C   1 ? 
ATOM   636  O  O   . ILE A 1 85  ? -12.218 -16.283 8.076   1.000 6.950  0 85  ILE A O   1 ? 
ATOM   637  C  CB  . ILE A 1 85  ? -11.667 -18.746 10.205  1.000 7.264  0 85  ILE A CB  1 ? 
ATOM   638  C  CG1 . ILE A 1 85  ? -11.535 -19.982 9.370   1.000 7.781  0 85  ILE A CG1 1 ? 
ATOM   639  C  CG2 . ILE A 1 85  ? -13.133 -18.429 10.452  1.000 7.527  0 85  ILE A CG2 1 ? 
ATOM   640  C  CD1 . ILE A 1 85  ? -12.144 -21.212 10.006  1.000 8.603  0 85  ILE A CD1 1 ? 
ATOM   641  N  N   . MET A 1 86  ? -10.729 -17.717 7.150   1.000 6.854  0 86  MET A N   1 ? 
ATOM   642  C  CA  . MET A 1 86  ? -11.075 -17.473 5.763   1.000 8.194  0 86  MET A CA  1 ? 
ATOM   643  C  C   . MET A 1 86  ? -10.901 -18.764 4.960   1.000 7.961  0 86  MET A C   1 ? 
ATOM   644  O  O   . MET A 1 86  ? -10.085 -19.622 5.254   1.000 8.513  0 86  MET A O   1 ? 
ATOM   645  C  CB  . MET A 1 86  ? -10.327 -16.288 5.140   1.000 10.685 0 86  MET A CB  1 ? 
ATOM   646  C  CG  . MET A 1 86  ? -8.931  -16.463 4.764   1.000 13.401 0 86  MET A CG  1 ? 
ATOM   647  S  SD  . MET A 1 86  ? -8.556  -15.014 3.710   1.000 16.644 0 86  MET A SD  1 ? 
ATOM   648  C  CE  . MET A 1 86  ? -9.631  -14.960 2.303   1.000 26.527 0 86  MET A CE  1 ? 
ATOM   649  N  N   . LEU A 1 87  ? -11.721 -18.895 3.909   1.000 6.912  0 87  LEU A N   1 ? 
ATOM   650  C  CA  . LEU A 1 87  ? -11.617 -19.963 2.940   1.000 7.338  0 87  LEU A CA  1 ? 
ATOM   651  C  C   . LEU A 1 87  ? -11.172 -19.449 1.598   1.000 7.650  0 87  LEU A C   1 ? 
ATOM   652  O  O   . LEU A 1 87  ? -11.526 -18.357 1.214   1.000 8.931  0 87  LEU A O   1 ? 
ATOM   653  C  CB  . LEU A 1 87  ? -12.999 -20.582 2.742   1.000 7.951  0 87  LEU A CB  1 ? 
ATOM   654  C  CG  . LEU A 1 87  ? -13.475 -21.445 3.906   1.000 8.701  0 87  LEU A CG  1 ? 
ATOM   655  C  CD1 . LEU A 1 87  ? -14.958 -21.762 3.748   1.000 8.686  0 87  LEU A CD1 1 ? 
ATOM   656  C  CD2 . LEU A 1 87  ? -12.649 -22.719 4.029   1.000 10.366 0 87  LEU A CD2 1 ? 
ATOM   657  N  N   . ILE A 1 88  ? -10.269 -20.216 0.978   1.000 7.382  0 88  ILE A N   1 ? 
ATOM   658  C  CA  . ILE A 1 88  ? -9.755  -19.842 -0.332  1.000 7.301  0 88  ILE A CA  1 ? 
ATOM   659  C  C   . ILE A 1 88  ? -10.016 -20.994 -1.302  1.000 7.710  0 88  ILE A C   1 ? 
ATOM   660  O  O   . ILE A 1 88  ? -9.653  -22.127 -1.036  1.000 8.007  0 88  ILE A O   1 ? 
ATOM   661  C  CB  . ILE A 1 88  ? -8.250  -19.559 -0.236  1.000 8.496  0 88  ILE A CB  1 ? 
ATOM   662  C  CG1 . ILE A 1 88  ? -7.967  -18.454 0.775   1.000 8.972  0 88  ILE A CG1 1 ? 
ATOM   663  C  CG2 . ILE A 1 88  ? -7.728  -19.231 -1.641  1.000 10.613 0 88  ILE A CG2 1 ? 
ATOM   664  C  CD1 . ILE A 1 88  ? -6.470  -18.446 1.078   1.000 10.762 0 88  ILE A CD1 1 ? 
ATOM   665  N  N   . LYS A 1 89  ? -10.665 -20.682 -2.441  1.000 7.861  0 89  LYS A N   1 ? 
ATOM   666  C  CA  . LYS A 1 89  ? -10.887 -21.710 -3.468  1.000 9.037  0 89  LYS A CA  1 ? 
ATOM   667  C  C   . LYS A 1 89  ? -9.798  -21.590 -4.536  1.000 8.932  0 89  LYS A C   1 ? 
ATOM   668  O  O   . LYS A 1 89  ? -9.456  -20.479 -4.981  1.000 10.026 0 89  LYS A O   1 ? 
ATOM   669  C  CB  . LYS A 1 89  ? -12.303 -21.560 -4.035  1.000 9.654  0 89  LYS A CB  1 ? 
ATOM   670  C  CG  . LYS A 1 89  ? -12.623 -22.713 -4.998  1.000 10.854 0 89  LYS A CG  1 ? 
ATOM   671  C  CD  . LYS A 1 89  ? -14.011 -22.661 -5.608  1.000 12.431 0 89  LYS A CD  1 ? 
ATOM   672  C  CE  . LYS A 1 89  ? -14.334 -23.944 -6.319  1.000 14.192 0 89  LYS A CE  1 ? 
ATOM   673  N  NZ  . LYS A 1 89  ? -15.626 -23.746 -6.994  1.000 15.472 0 89  LYS A NZ  1 ? 
ATOM   674  N  N   . LEU A 1 90  ? -9.279  -22.746 -4.948  1.000 9.681  0 90  LEU A N   1 ? 
ATOM   675  C  CA  . LEU A 1 90  ? -8.298  -22.838 -6.022  1.000 11.185 0 90  LEU A CA  1 ? 
ATOM   676  C  C   . LEU A 1 90  ? -8.993  -22.839 -7.381  1.000 11.231 0 90  LEU A C   1 ? 
ATOM   677  O  O   . LEU A 1 90  ? -10.096 -23.403 -7.514  1.000 10.961 0 90  LEU A O   1 ? 
ATOM   678  C  CB  . LEU A 1 90  ? -7.520  -24.132 -5.822  1.000 11.544 0 90  LEU A CB  1 ? 
ATOM   679  C  CG  . LEU A 1 90  ? -6.810  -24.281 -4.482  1.000 13.525 0 90  LEU A CG  1 ? 
ATOM   680  C  CD1 . LEU A 1 90  ? -6.029  -25.573 -4.474  1.000 14.750 0 90  LEU A CD1 1 ? 
ATOM   681  C  CD2 . LEU A 1 90  ? -5.923  -23.136 -4.179  1.000 15.175 0 90  LEU A CD2 1 ? 
ATOM   682  N  N   . LYS A 1 91  ? -8.353  -22.218 -8.358  1.000 11.757 0 91  LYS A N   1 ? 
ATOM   683  C  CA  . LYS A 1 91  ? -8.914  -22.157 -9.712  1.000 12.954 0 91  LYS A CA  1 ? 
ATOM   684  C  C   . LYS A 1 91  ? -9.001  -23.552 -10.340 1.000 15.508 0 91  LYS A C   1 ? 
ATOM   685  O  O   . LYS A 1 91  ? -9.852  -23.794 -11.207 1.000 15.985 0 91  LYS A O   1 ? 
ATOM   686  C  CB  . LYS A 1 91  ? -8.017  -21.286 -10.591 1.000 15.647 0 91  LYS A CB  1 ? 
ATOM   687  C  CG  . LYS A 1 91  ? -8.318  -19.818 -10.546 1.000 18.012 0 91  LYS A CG  1 ? 
ATOM   688  C  CD  . LYS A 1 91  ? -7.365  -19.001 -11.408 1.000 23.393 0 91  LYS A CD  1 ? 
ATOM   689  C  CE  . LYS A 1 91  ? -7.499  -17.514 -11.175 1.000 28.066 0 91  LYS A CE  1 ? 
ATOM   690  N  NZ  . LYS A 1 91  ? -8.450  -16.941 -12.121 1.000 33.398 0 91  LYS A NZ  1 ? 
ATOM   691  N  N   . SER A 1 92  ? -8.096  -24.447 -9.975  1.000 13.264 0 92  SER A N   1 ? 
ATOM   692  C  CA  . SER A 1 92  ? -8.124  -25.827 -10.410 1.000 14.104 0 92  SER A CA  1 ? 
ATOM   693  C  C   . SER A 1 92  ? -7.832  -26.703 -9.207  1.000 15.140 0 92  SER A C   1 ? 
ATOM   694  O  O   . SER A 1 92  ? -7.153  -26.272 -8.283  1.000 13.988 0 92  SER A O   1 ? 
ATOM   695  C  CB  . SER A 1 92  ? -7.174  -26.114 -11.526 1.000 16.337 0 92  SER A CB  1 ? 
ATOM   696  O  OG  . SER A 1 92  ? -5.811  -25.860 -11.162 1.000 19.383 0 92  SER A OG  1 ? 
ATOM   697  N  N   . ALA A 1 93  ? -8.292  -27.962 -9.227  1.000 14.777 0 93  ALA A N   1 ? 
ATOM   698  C  CA  . ALA A 1 93  ? -8.053  -28.884 -8.140  1.000 13.805 0 93  ALA A CA  1 ? 
ATOM   699  C  C   . ALA A 1 93  ? -6.588  -29.297 -8.125  1.000 13.498 0 93  ALA A C   1 ? 
ATOM   700  O  O   . ALA A 1 93  ? -5.989  -29.571 -9.173  1.000 14.862 0 93  ALA A O   1 ? 
ATOM   701  C  CB  . ALA A 1 93  ? -8.906  -30.152 -8.294  1.000 15.981 0 93  ALA A CB  1 ? 
ATOM   702  N  N   . ALA A 1 94  ? -6.057  -29.398 -6.926  1.000 12.896 0 94  ALA A N   1 ? 
ATOM   703  C  CA  . ALA A 1 94  ? -4.721  -29.898 -6.751  1.000 13.044 0 94  ALA A CA  1 ? 
ATOM   704  C  C   . ALA A 1 94  ? -4.718  -31.385 -7.025  1.000 13.354 0 94  ALA A C   1 ? 
ATOM   705  O  O   . ALA A 1 94  ? -5.734  -32.064 -6.825  1.000 14.302 0 94  ALA A O   1 ? 
ATOM   706  C  CB  . ALA A 1 94  ? -4.257  -29.603 -5.339  1.000 14.122 0 94  ALA A CB  1 ? 
ATOM   707  N  N   . SER A 1 95  ? -3.545  -31.891 -7.401  1.000 11.734 0 95  SER A N   1 ? 
ATOM   708  C  CA  . SER A 1 95  ? -3.334  -33.321 -7.564  1.000 14.702 0 95  SER A CA  1 ? 
ATOM   709  C  C   . SER A 1 95  ? -2.872  -33.880 -6.242  1.000 15.469 0 95  SER A C   1 ? 
ATOM   710  O  O   . SER A 1 95  ? -1.742  -33.628 -5.839  1.000 16.857 0 95  SER A O   1 ? 
ATOM   711  C  CB  . SER A 1 95  ? -2.301  -33.649 -8.626  1.000 18.641 0 95  SER A CB  1 ? 
ATOM   712  O  OG  . SER A 1 95  ? -2.866  -33.286 -9.866  1.000 25.100 0 95  SER A OG  1 ? 
ATOM   713  N  N   . LEU A 1 96  ? -3.703  -34.713 -5.620  1.000 13.633 0 96  LEU A N   1 ? 
ATOM   714  C  CA  . LEU A 1 96  ? -3.406  -35.236 -4.303  1.000 14.438 0 96  LEU A CA  1 ? 
ATOM   715  C  C   . LEU A 1 96  ? -2.564  -36.508 -4.409  1.000 16.245 0 96  LEU A C   1 ? 
ATOM   716  O  O   . LEU A 1 96  ? -2.757  -37.350 -5.295  1.000 17.782 0 96  LEU A O   1 ? 
ATOM   717  C  CB  . LEU A 1 96  ? -4.678  -35.460 -3.478  1.000 15.309 0 96  LEU A CB  1 ? 
ATOM   718  C  CG  . LEU A 1 96  ? -5.588  -34.240 -3.279  1.000 15.557 0 96  LEU A CG  1 ? 
ATOM   719  C  CD1 . LEU A 1 96  ? -6.748  -34.563 -2.378  1.000 17.900 0 96  LEU A CD1 1 ? 
ATOM   720  C  CD2 . LEU A 1 96  ? -4.803  -33.099 -2.704  1.000 16.382 0 96  LEU A CD2 1 ? 
ATOM   721  N  N   . ASN A 1 97  ? -1.568  -36.563 -3.540  1.000 15.792 0 97  ASN A N   1 ? 
ATOM   722  C  CA  . ASN A 1 97  ? -0.523  -37.565 -3.505  1.000 16.658 0 97  ASN A CA  1 ? 
ATOM   723  C  C   . ASN A 1 97  ? -0.003  -37.635 -2.057  1.000 14.939 0 97  ASN A C   1 ? 
ATOM   724  O  O   . ASN A 1 97  ? -0.604  -37.059 -1.135  1.000 16.143 0 97  ASN A O   1 ? 
ATOM   725  C  CB  . ASN A 1 97  ? 0.462   -37.309 -4.644  1.000 17.358 0 97  ASN A CB  1 ? 
ATOM   726  C  CG  . ASN A 1 97  ? 1.145   -35.962 -4.574  1.000 19.750 0 97  ASN A CG  1 ? 
ATOM   727  O  OD1 . ASN A 1 97  ? 1.210   -35.184 -5.543  1.000 22.649 0 97  ASN A OD1 1 ? 
ATOM   728  N  ND2 . ASN A 1 97  ? 1.696   -35.690 -3.416  1.000 16.373 0 97  ASN A ND2 1 ? 
ATOM   729  N  N   . SER A 1 98  ? 1.066   -38.416 -1.816  1.000 15.774 0 98  SER A N   1 ? 
ATOM   730  C  CA  . SER A 1 98  ? 1.584   -38.561 -0.467  1.000 14.768 0 98  SER A CA  1 ? 
ATOM   731  C  C   . SER A 1 98  ? 2.204   -37.283 0.125   1.000 14.000 0 98  SER A C   1 ? 
ATOM   732  O  O   . SER A 1 98  ? 2.263   -37.115 1.353   1.000 13.608 0 98  SER A O   1 ? 
ATOM   733  C  CB  . SER A 1 98  ? 2.600   -39.687 -0.443  1.000 16.586 0 98  SER A CB  1 ? 
ATOM   734  O  OG  . SER A 1 98  ? 3.762   -39.330 -1.191  1.000 17.787 0 98  SER A OG  1 ? 
ATOM   735  N  N   . ARG A 1 99  ? 2.635   -36.361 -0.731  1.000 15.232 0 99  ARG A N   1 ? 
ATOM   736  C  CA  . ARG A 1 99  ? 3.279   -35.125 -0.311  1.000 13.760 0 99  ARG A CA  1 ? 
ATOM   737  C  C   . ARG A 1 99  ? 2.362   -33.906 -0.374  1.000 14.714 0 99  ARG A C   1 ? 
ATOM   738  O  O   . ARG A 1 99  ? 2.737   -32.818 0.104   1.000 15.146 0 99  ARG A O   1 ? 
ATOM   739  C  CB  . ARG A 1 99  ? 4.499   -34.910 -1.211  1.000 13.381 0 99  ARG A CB  1 ? 
ATOM   740  C  CG  . ARG A 1 99  ? 5.506   -36.032 -0.974  1.000 14.418 0 99  ARG A CG  1 ? 
ATOM   741  C  CD  . ARG A 1 99  ? 6.720   -35.841 -1.862  1.000 16.931 0 99  ARG A CD  1 ? 
ATOM   742  N  NE  . ARG A 1 99  ? 7.783   -36.796 -1.517  1.000 20.138 0 99  ARG A NE  1 ? 
ATOM   743  C  CZ  . ARG A 1 99  ? 7.790   -38.062 -1.836  1.000 23.822 0 99  ARG A CZ  1 ? 
ATOM   744  N  NH1 . ARG A 1 99  ? 6.891   -38.576 -2.681  1.000 27.064 0 99  ARG A NH1 1 ? 
ATOM   745  N  NH2 . ARG A 1 99  ? 8.773   -38.800 -1.349  1.000 25.370 0 99  ARG A NH2 1 ? 
ATOM   746  N  N   . VAL A 1 100 ? 1.194   -34.053 -1.014  1.000 11.729 0 100 VAL A N   1 ? 
ATOM   747  C  CA  . VAL A 1 100 ? 0.197   -32.999 -1.115  1.000 10.883 0 100 VAL A CA  1 ? 
ATOM   748  C  C   . VAL A 1 100 ? -1.117  -33.677 -0.756  1.000 11.486 0 100 VAL A C   1 ? 
ATOM   749  O  O   . VAL A 1 100 ? -1.699  -34.447 -1.543  1.000 13.026 0 100 VAL A O   1 ? 
ATOM   750  C  CB  . VAL A 1 100 ? 0.136   -32.321 -2.487  1.000 11.278 0 100 VAL A CB  1 ? 
ATOM   751  C  CG1 . VAL A 1 100 ? -0.995  -31.322 -2.563  1.000 12.458 0 100 VAL A CG1 1 ? 
ATOM   752  C  CG2 . VAL A 1 100 ? 1.458   -31.673 -2.828  1.000 11.529 0 100 VAL A CG2 1 ? 
ATOM   753  N  N   . ALA A 1 101 ? -1.630  -33.355 0.411   1.000 10.063 0 101 ALA A N   1 ? 
ATOM   754  C  CA  . ALA A 1 101 ? -2.754  -34.095 0.933   1.000 10.641 0 101 ALA A CA  1 ? 
ATOM   755  C  C   . ALA A 1 101 ? -3.613  -33.205 1.821   1.000 10.322 0 101 ALA A C   1 ? 
ATOM   756  O  O   . ALA A 1 101 ? -3.111  -32.268 2.435   1.000 10.728 0 101 ALA A O   1 ? 
ATOM   757  C  CB  . ALA A 1 101 ? -2.275  -35.264 1.746   1.000 11.201 0 101 ALA A CB  1 ? 
ATOM   758  N  N   . SER A 1 102 ? -4.918  -33.510 1.854   1.000 9.341  0 102 SER A N   1 ? 
ATOM   759  C  CA  . SER A 1 102 ? -5.800  -32.738 2.720   1.000 9.619  0 102 SER A CA  1 ? 
ATOM   760  C  C   . SER A 1 102 ? -5.677  -33.182 4.174   1.000 10.419 0 102 SER A C   1 ? 
ATOM   761  O  O   . SER A 1 102 ? -5.265  -34.302 4.460   1.000 11.949 0 102 SER A O   1 ? 
ATOM   762  C  CB  . SER A 1 102 ? -7.204  -32.852 2.248   1.000 11.977 0 102 SER A CB  1 ? 
ATOM   763  O  OG  . SER A 1 102 ? -7.574  -34.212 2.030   1.000 14.772 0 102 SER A OG  1 ? 
ATOM   764  N  N   . ILE A 1 103 ? -6.078  -32.299 5.099   1.000 8.306  0 103 ILE A N   1 ? 
ATOM   765  C  CA  . ILE A 1 103 ? -6.214  -32.600 6.510   1.000 8.715  0 103 ILE A CA  1 ? 
ATOM   766  C  C   . ILE A 1 103 ? -7.700  -32.638 6.868   1.000 9.132  0 103 ILE A C   1 ? 
ATOM   767  O  O   . ILE A 1 103 ? -8.464  -31.779 6.467   1.000 9.462  0 103 ILE A O   1 ? 
ATOM   768  C  CB  . ILE A 1 103 ? -5.408  -31.625 7.382   1.000 9.392  0 103 ILE A CB  1 ? 
ATOM   769  C  CG1 . ILE A 1 103 ? -5.329  -32.044 8.852   1.000 10.617 0 103 ILE A CG1 1 ? 
ATOM   770  C  CG2 . ILE A 1 103 ? -5.961  -30.203 7.261   1.000 10.283 0 103 ILE A CG2 1 ? 
ATOM   771  C  CD1 . ILE A 1 103 ? -4.598  -33.341 9.117   1.000 12.072 0 103 ILE A CD1 1 ? 
ATOM   772  N  N   . SER A 1 104 ? -8.094  -33.607 7.710   1.000 9.518  0 104 SER A N   1 ? 
ATOM   773  C  CA  . SER A 1 104 ? -9.469  -33.703 8.177   1.000 10.592 0 104 SER A CA  1 ? 
ATOM   774  C  C   . SER A 1 104 ? -9.906  -32.519 9.059   1.000 10.094 0 104 SER A C   1 ? 
ATOM   775  O  O   . SER A 1 104 ? -9.150  -32.096 9.919   1.000 10.085 0 104 SER A O   1 ? 
ATOM   776  C  CB  . SER A 1 104 ? -9.613  -34.988 8.952   1.000 12.561 0 104 SER A CB  1 ? 
ATOM   777  O  OG  . SER A 1 104 ? -9.470  -36.071 8.033   1.000 15.052 0 104 SER A OG  1 ? 
ATOM   778  N  N   . LEU A 1 105 ? -11.180 -32.122 8.911   1.000 11.331 0 105 LEU A N   1 ? 
ATOM   779  C  CA  . LEU A 1 105 ? -11.864 -31.269 9.871   1.000 11.880 0 105 LEU A CA  1 ? 
ATOM   780  C  C   . LEU A 1 105 ? -12.240 -32.057 11.122  1.000 11.246 0 105 LEU A C   1 ? 
ATOM   781  O  O   . LEU A 1 105 ? -12.384 -33.276 11.096  1.000 12.971 0 105 LEU A O   1 ? 
ATOM   782  C  CB  . LEU A 1 105 ? -13.076 -30.624 9.216   1.000 12.244 0 105 LEU A CB  1 ? 
ATOM   783  C  CG  . LEU A 1 105 ? -12.738 -29.636 8.097   1.000 15.339 0 105 LEU A CG  1 ? 
ATOM   784  C  CD1 . LEU A 1 105 ? -14.006 -29.158 7.474   1.000 16.691 0 105 LEU A CD1 1 ? 
ATOM   785  C  CD2 . LEU A 1 105 ? -11.928 -28.477 8.614   1.000 16.755 0 105 LEU A CD2 1 ? 
ATOM   786  N  N   . PRO A 1 106 ? -12.321 -31.380 12.283  1.000 10.602 0 106 PRO A N   1 ? 
ATOM   787  C  CA  . PRO A 1 106 ? -12.650 -32.057 13.525  1.000 13.025 0 106 PRO A CA  1 ? 
ATOM   788  C  C   . PRO A 1 106 ? -14.126 -32.436 13.495  1.000 14.148 0 106 PRO A C   1 ? 
ATOM   789  O  O   . PRO A 1 106 ? -14.920 -31.783 12.842  1.000 13.650 0 106 PRO A O   1 ? 
ATOM   790  C  CB  . PRO A 1 106 ? -12.320 -31.086 14.615  1.000 13.273 0 106 PRO A CB  1 ? 
ATOM   791  C  CG  . PRO A 1 106 ? -12.305 -29.751 13.950  1.000 12.395 0 106 PRO A CG  1 ? 
ATOM   792  C  CD  . PRO A 1 106 ? -12.021 -29.947 12.454  1.000 11.844 0 106 PRO A CD  1 ? 
ATOM   793  N  N   . THR A 1 107 ? -14.471 -33.555 14.146  1.000 19.114 0 107 THR A N   1 ? 
ATOM   794  C  CA  . THR A 1 107 ? -15.876 -33.859 14.398  1.000 21.059 0 107 THR A CA  1 ? 
ATOM   795  C  C   . THR A 1 107 ? -16.220 -33.435 15.826  1.000 21.050 0 107 THR A C   1 ? 
ATOM   796  O  O   . THR A 1 107 ? -17.390 -33.268 16.174  1.000 25.985 0 107 THR A O   1 ? 
ATOM   797  C  CB  . THR A 1 107 ? -16.160 -35.345 14.152  1.000 23.092 0 107 THR A CB  1 ? 
ATOM   798  O  OG1 . THR A 1 107 ? -15.363 -36.064 15.060  1.000 23.150 0 107 THR A OG1 1 ? 
ATOM   799  C  CG2 . THR A 1 107 ? -15.641 -35.861 12.834  1.000 23.456 0 107 THR A CG2 1 ? 
ATOM   800  N  N   . SER A 1 108 ? -15.179 -33.169 16.607  1.000 20.381 0 108 SER A N   1 ? 
ATOM   801  C  CA  . SER A 1 108 ? -15.303 -32.689 17.951  1.000 19.322 0 108 SER A CA  1 ? 
ATOM   802  C  C   . SER A 1 108 ? -14.141 -31.762 18.316  1.000 16.878 0 108 SER A C   1 ? 
ATOM   803  O  O   . SER A 1 108 ? -13.015 -31.911 17.837  1.000 17.248 0 108 SER A O   1 ? 
ATOM   804  C  CB  . SER A 1 108 ? -15.376 -33.917 18.836  1.000 24.219 0 108 SER A CB  1 ? 
ATOM   805  O  OG  . SER A 1 108 ? -14.922 -33.632 20.131  1.000 29.645 0 108 SER A OG  1 ? 
ATOM   806  N  N   . CYS A 1 109 ? -14.427 -30.825 19.206  1.000 15.349 0 109 CYS A N   1 ? 
ATOM   807  C  CA  . CYS A 1 109 ? -13.381 -29.938 19.711  1.000 14.382 0 109 CYS A CA  1 ? 
ATOM   808  C  C   . CYS A 1 109 ? -12.361 -30.705 20.543  1.000 16.879 0 109 CYS A C   1 ? 
ATOM   809  O  O   . CYS A 1 109 ? -12.700 -31.731 21.160  1.000 19.036 0 109 CYS A O   1 ? 
ATOM   810  C  CB  . CYS A 1 109 ? -13.955 -28.812 20.533  1.000 14.323 0 109 CYS A CB  1 ? 
ATOM   811  S  SG  . CYS A 1 109 ? -15.178 -27.829 19.664  1.000 14.326 0 109 CYS A SG  1 ? 
ATOM   812  N  N   . ALA A 1 110 ? -11.114 -30.223 20.540  1.000 15.043 0 110 ALA A N   1 ? 
ATOM   813  C  CA  . ALA A 1 110 ? -10.046 -30.759 21.361  1.000 16.100 0 110 ALA A CA  1 ? 
ATOM   814  C  C   . ALA A 1 110 ? -10.154 -30.171 22.758  1.000 17.396 0 110 ALA A C   1 ? 
ATOM   815  O  O   . ALA A 1 110 ? -11.049 -29.343 23.005  1.000 23.065 0 110 ALA A O   1 ? 
ATOM   816  C  CB  . ALA A 1 110 ? -8.697  -30.508 20.746  1.000 17.323 0 110 ALA A CB  1 ? 
ATOM   817  N  N   . SER A 1 111 ? -9.410  -30.782 23.676  1.000 15.673 0 111 SER A N   1 ? 
ATOM   818  C  CA  . SER A 1 111 ? -9.372  -30.395 25.079  1.000 17.136 0 111 SER A CA  1 ? 
ATOM   819  C  C   . SER A 1 111 ? -7.984  -29.890 25.435  1.000 15.283 0 111 SER A C   1 ? 
ATOM   820  O  O   . SER A 1 111 ? -6.966  -30.324 24.889  1.000 14.670 0 111 SER A O   1 ? 
ATOM   821  C  CB  . SER A 1 111 ? -9.680  -31.598 26.027  1.000 19.077 0 111 SER A CB  1 ? 
ATOM   822  O  OG  . SER A 1 111 ? -10.906 -32.187 25.705  1.000 23.796 0 111 SER A OG  1 ? 
ATOM   823  N  N   . ALA A 1 112 ? -7.972  -29.086 26.485  1.000 14.202 0 112 ALA A N   1 ? 
ATOM   824  C  CA  . ALA A 1 112 ? -6.725  -28.713 27.116  1.000 12.948 0 112 ALA A CA  1 ? 
ATOM   825  C  C   . ALA A 1 112 ? -5.920  -29.960 27.467  1.000 13.565 0 112 ALA A C   1 ? 
ATOM   826  O  O   . ALA A 1 112 ? -6.453  -30.985 27.941  1.000 13.556 0 112 ALA A O   1 ? 
ATOM   827  C  CB  . ALA A 1 112 ? -7.003  -27.931 28.346  1.000 14.291 0 112 ALA A CB  1 ? 
ATOM   828  N  N   . GLY A 1 113 ? -4.627  -29.863 27.188  1.000 12.083 0 113 GLY A N   1 ? 
ATOM   829  C  CA  . GLY A 1 113 ? -3.678  -30.921 27.437  1.000 13.318 0 113 GLY A CA  1 ? 
ATOM   830  C  C   . GLY A 1 113 ? -3.375  -31.743 26.193  1.000 13.330 0 113 GLY A C   1 ? 
ATOM   831  O  O   . GLY A 1 113 ? -2.384  -32.450 26.177  1.000 17.091 0 113 GLY A O   1 ? 
ATOM   832  N  N   . THR A 1 114 ? -4.185  -31.618 25.149  1.000 13.313 0 114 THR A N   1 ? 
ATOM   833  C  CA  . THR A 1 114 ? -3.933  -32.373 23.934  1.000 14.166 0 114 THR A CA  1 ? 
ATOM   834  C  C   . THR A 1 114 ? -2.684  -31.796 23.280  1.000 13.654 0 114 THR A C   1 ? 
ATOM   835  O  O   . THR A 1 114 ? -2.573  -30.590 23.141  1.000 12.484 0 114 THR A O   1 ? 
ATOM   836  C  CB  . THR A 1 114 ? -5.147  -32.255 23.027  1.000 16.546 0 114 THR A CB  1 ? 
ATOM   837  O  OG1 . THR A 1 114 ? -6.162  -32.995 23.691  1.000 21.933 0 114 THR A OG1 1 ? 
ATOM   838  C  CG2 . THR A 1 114 ? -4.980  -32.972 21.690  1.000 16.009 0 114 THR A CG2 1 ? 
ATOM   839  N  N   . GLN A 1 115 ? -1.840  -32.658 22.729  1.000 12.290 0 115 GLN A N   1 ? 
ATOM   840  C  CA  . GLN A 1 115 ? -0.643  -32.292 22.008  1.000 14.833 0 115 GLN A CA  1 ? 
ATOM   841  C  C   . GLN A 1 115 ? -1.000  -32.144 20.540  1.000 12.970 0 115 GLN A C   1 ? 
ATOM   842  O  O   . GLN A 1 115 ? -1.793  -32.907 19.964  1.000 13.146 0 115 GLN A O   1 ? 
ATOM   843  C  CB  . GLN A 1 115 ? 0.455   -33.328 22.198  1.000 19.472 0 115 GLN A CB  1 ? 
ATOM   844  C  CG  . GLN A 1 115 ? 0.939   -33.438 23.638  1.000 27.122 0 115 GLN A CG  1 ? 
ATOM   845  C  CD  . GLN A 1 115 ? 1.907   -32.339 24.042  1.000 31.615 0 115 GLN A CD  1 ? 
ATOM   846  O  OE1 . GLN A 1 115 ? 2.533   -31.673 23.206  1.000 39.838 0 115 GLN A OE1 1 ? 
ATOM   847  N  NE2 . GLN A 1 115 ? 2.068   -32.160 25.348  1.000 35.477 0 115 GLN A NE2 1 ? 
ATOM   848  N  N   . CYS A 1 116 ? -0.438  -31.062 19.982  1.000 10.557 0 116 CYS A N   1 ? 
ATOM   849  C  CA  . CYS A 1 116 ? -0.698  -30.662 18.615  1.000 9.432  0 116 CYS A CA  1 ? 
ATOM   850  C  C   . CYS A 1 116 ? 0.610   -30.289 17.912  1.000 9.060  0 116 CYS A C   1 ? 
ATOM   851  O  O   . CYS A 1 116 ? 1.633   -30.063 18.547  1.000 11.111 0 116 CYS A O   1 ? 
ATOM   852  C  CB  . CYS A 1 116 ? -1.624  -29.461 18.597  1.000 9.020  0 116 CYS A CB  1 ? 
ATOM   853  S  SG  . CYS A 1 116 ? -3.177  -29.710 19.501  1.000 10.786 0 116 CYS A SG  1 ? 
ATOM   854  N  N   . LEU A 1 117 ? 0.562   -30.281 16.579  1.000 8.671  0 117 LEU A N   1 ? 
ATOM   855  C  CA  . LEU A 1 117 ? 1.695   -29.932 15.721  1.000 8.260  0 117 LEU A CA  1 ? 
ATOM   856  C  C   . LEU A 1 117 ? 1.334   -28.635 15.024  1.000 7.636  0 117 LEU A C   1 ? 
ATOM   857  O  O   . LEU A 1 117 ? 0.303   -28.539 14.363  1.000 6.996  0 117 LEU A O   1 ? 
ATOM   858  C  CB  . LEU A 1 117 ? 1.945   -31.031 14.690  1.000 9.301  0 117 LEU A CB  1 ? 
ATOM   859  C  CG  . LEU A 1 117 ? 3.094   -30.745 13.736  1.000 9.803  0 117 LEU A CG  1 ? 
ATOM   860  C  CD1 . LEU A 1 117 ? 4.442   -30.811 14.386  1.000 11.564 0 117 LEU A CD1 1 ? 
ATOM   861  C  CD2 . LEU A 1 117 ? 3.074   -31.610 12.492  1.000 10.972 0 117 LEU A CD2 1 ? 
ATOM   862  N  N   . ILE A 1 118 ? 2.203   -27.642 15.182  1.000 6.613  0 118 ILE A N   1 ? 
ATOM   863  C  CA  . ILE A 1 118 ? 2.045   -26.303 14.624  1.000 7.514  0 118 ILE A CA  1 ? 
ATOM   864  C  C   . ILE A 1 118 ? 3.175   -26.133 13.636  1.000 6.844  0 118 ILE A C   1 ? 
ATOM   865  O  O   . ILE A 1 118 ? 4.298   -26.530 13.899  1.000 7.637  0 118 ILE A O   1 ? 
ATOM   866  C  CB  . ILE A 1 118 ? 2.114   -25.225 15.728  1.000 8.112  0 118 ILE A CB  1 ? 
ATOM   867  C  CG1 . ILE A 1 118 ? 1.105   -25.530 16.828  1.000 9.598  0 118 ILE A CG1 1 ? 
ATOM   868  C  CG2 . ILE A 1 118 ? 1.862   -23.872 15.079  1.000 9.599  0 118 ILE A CG2 1 ? 
ATOM   869  C  CD1 . ILE A 1 118 ? 1.183   -24.624 18.044  1.000 11.416 0 118 ILE A CD1 1 ? 
ATOM   870  N  N   . SER A 1 119 ? 2.919   -25.546 12.454  1.000 5.337  0 119 SER A N   1 ? 
ATOM   871  C  CA  . SER A 1 119 ? 3.972   -25.491 11.443  1.000 5.645  0 119 SER A CA  1 ? 
ATOM   872  C  C   . SER A 1 119 ? 3.893   -24.199 10.661  1.000 5.959  0 119 SER A C   1 ? 
ATOM   873  O  O   . SER A 1 119 ? 2.859   -23.566 10.571  1.000 7.286  0 119 SER A O   1 ? 
ATOM   874  C  CB  . SER A 1 119 ? 3.909   -26.692 10.553  1.000 5.786  0 119 SER A CB  1 ? 
ATOM   875  O  OG  . SER A 1 119 ? 2.581   -26.898 10.051  1.000 7.029  0 119 SER A OG  1 ? 
ATOM   876  N  N   . GLY A 1 120 ? 5.029   -23.827 10.060  1.000 6.000  0 120 GLY A N   1 ? 
ATOM   877  C  CA  . GLY A 1 120 ? 5.073   -22.613 9.259   1.000 6.230  0 120 GLY A CA  1 ? 
ATOM   878  C  C   . GLY A 1 120 ? 6.464   -22.137 8.856   1.000 7.079  0 120 GLY A C   1 ? 
ATOM   879  O  O   . GLY A 1 120 ? 7.493   -22.612 9.349   1.000 7.888  0 120 GLY A O   1 ? 
ATOM   880  N  N   . TRP A 1 121 ? 6.474   -21.082 8.016   1.000 6.527  0 121 TRP A N   1 ? 
ATOM   881  C  CA  . TRP A 1 121 ? 7.693   -20.439 7.523   1.000 7.130  0 121 TRP A CA  1 ? 
ATOM   882  C  C   . TRP A 1 121 ? 7.886   -19.063 8.168   1.000 7.798  0 121 TRP A C   1 ? 
ATOM   883  O  O   . TRP A 1 121 ? 8.630   -18.232 7.623   1.000 9.418  0 121 TRP A O   1 ? 
ATOM   884  C  CB  . TRP A 1 121 ? 7.603   -20.282 6.003   1.000 7.708  0 121 TRP A CB  1 ? 
ATOM   885  C  CG  . TRP A 1 121 ? 7.732   -21.580 5.257   1.000 7.206  0 121 TRP A CG  1 ? 
ATOM   886  C  CD1 . TRP A 1 121 ? 8.879   -22.241 4.954   1.000 7.844  0 121 TRP A CD1 1 ? 
ATOM   887  C  CD2 . TRP A 1 121 ? 6.689   -22.369 4.673   1.000 6.840  0 121 TRP A CD2 1 ? 
ATOM   888  N  NE1 . TRP A 1 121 ? 8.627   -23.364 4.205   1.000 7.957  0 121 TRP A NE1 1 ? 
ATOM   889  C  CE2 . TRP A 1 121 ? 7.277   -23.476 4.021   1.000 6.610  0 121 TRP A CE2 1 ? 
ATOM   890  C  CE3 . TRP A 1 121 ? 5.308   -22.219 4.609   1.000 6.791  0 121 TRP A CE3 1 ? 
ATOM   891  C  CZ2 . TRP A 1 121 ? 6.536   -24.418 3.340   1.000 7.240  0 121 TRP A CZ2 1 ? 
ATOM   892  C  CZ3 . TRP A 1 121 ? 4.576   -23.165 3.956   1.000 7.673  0 121 TRP A CZ3 1 ? 
ATOM   893  C  CH2 . TRP A 1 121 ? 5.181   -24.242 3.314   1.000 6.974  0 121 TRP A CH2 1 ? 
ATOM   894  N  N   . GLY A 1 122 ? 7.277   -18.845 9.348   1.000 7.367  0 122 GLY A N   1 ? 
ATOM   895  C  CA  . GLY A 1 122 ? 7.428   -17.591 10.049  1.000 7.435  0 122 GLY A CA  1 ? 
ATOM   896  C  C   . GLY A 1 122 ? 8.765   -17.402 10.772  1.000 7.102  0 122 GLY A C   1 ? 
ATOM   897  O  O   . GLY A 1 122 ? 9.633   -18.289 10.772  1.000 7.314  0 122 GLY A O   1 ? 
ATOM   898  N  N   . ASN A 1 123 ? 8.868   -16.201 11.336  1.000 7.696  0 123 ASN A N   1 ? 
ATOM   899  C  CA  . ASN A 1 123 ? 10.074  -15.783 12.070  1.000 8.211  0 123 ASN A CA  1 ? 
ATOM   900  C  C   . ASN A 1 123 ? 10.461  -16.835 13.105  1.000 8.605  0 123 ASN A C   1 ? 
ATOM   901  O  O   . ASN A 1 123 ? 9.574   -17.371 13.810  1.000 7.599  0 123 ASN A O   1 ? 
ATOM   902  C  CB  . ASN A 1 123 ? 9.752   -14.442 12.726  1.000 8.917  0 123 ASN A CB  1 ? 
ATOM   903  C  CG  . ASN A 1 123 ? 10.913  -13.710 13.354  1.000 11.255 0 123 ASN A CG  1 ? 
ATOM   904  O  OD1 . ASN A 1 123 ? 12.067  -14.134 13.320  1.000 12.261 0 123 ASN A OD1 1 ? 
ATOM   905  N  ND2 . ASN A 1 123 ? 10.619  -12.576 13.970  1.000 14.323 0 123 ASN A ND2 1 ? 
ATOM   906  N  N   . THR A 1 124 ? 11.777  -17.088 13.218  1.000 9.345  0 124 THR A N   1 ? 
ATOM   907  C  CA  . THR A 1 124 ? 12.317  -18.054 14.170  1.000 9.691  0 124 THR A CA  1 ? 
ATOM   908  C  C   . THR A 1 124 ? 12.939  -17.377 15.394  1.000 10.866 0 124 THR A C   1 ? 
ATOM   909  O  O   . THR A 1 124 ? 13.336  -18.091 16.322  1.000 11.881 0 124 THR A O   1 ? 
ATOM   910  C  CB  . THR A 1 124 ? 13.306  -19.030 13.523  1.000 10.851 0 124 THR A CB  1 ? 
ATOM   911  O  OG1 . THR A 1 124 ? 14.426  -18.271 13.086  1.000 12.894 0 124 THR A OG1 1 ? 
ATOM   912  C  CG2 . THR A 1 124 ? 12.658  -19.771 12.368  1.000 10.389 0 124 THR A CG2 1 ? 
ATOM   913  N  N   . LYS A 1 125 ? 12.892  -16.060 15.476  1.000 13.136 0 125 LYS A N   1 ? 
ATOM   914  C  CA  . LYS A 1 125 ? 13.481  -15.373 16.627  1.000 16.441 0 125 LYS A CA  1 ? 
ATOM   915  C  C   . LYS A 1 125 ? 12.422  -14.734 17.513  1.000 16.380 0 125 LYS A C   1 ? 
ATOM   916  O  O   . LYS A 1 125 ? 11.443  -14.196 17.034  1.000 17.452 0 125 LYS A O   1 ? 
ATOM   917  C  CB  . LYS A 1 125 ? 14.390  -14.273 16.083  1.000 21.677 0 125 LYS A CB  1 ? 
ATOM   918  C  CG  . LYS A 1 125 ? 15.449  -14.788 15.139  1.000 30.177 0 125 LYS A CG  1 ? 
ATOM   919  C  CD  . LYS A 1 125 ? 16.221  -15.989 15.657  1.000 33.414 0 125 LYS A CD  1 ? 
ATOM   920  C  CE  . LYS A 1 125 ? 17.245  -15.529 16.645  1.000 42.719 0 125 LYS A CE  1 ? 
ATOM   921  N  NZ  . LYS A 1 125 ? 18.384  -14.831 16.028  1.000 43.290 0 125 LYS A NZ  1 ? 
ATOM   922  N  N   . SER A 1 126 ? 12.618  -14.779 18.833  1.000 18.508 0 126 SER A N   1 ? 
ATOM   923  C  CA  . SER A 1 126 ? 11.692  -14.159 19.772  1.000 21.376 0 126 SER A CA  1 ? 
ATOM   924  C  C   . SER A 1 126 ? 11.939  -12.664 19.962  1.000 24.450 0 126 SER A C   1 ? 
ATOM   925  O  O   . SER A 1 126 ? 11.042  -11.925 20.381  1.000 26.413 0 126 SER A O   1 ? 
ATOM   926  C  CB  . SER A 1 126 ? 11.734  -14.888 21.087  1.000 21.432 0 126 SER A CB  1 ? 
ATOM   927  O  OG  . SER A 1 126 ? 12.968  -14.764 21.772  1.000 22.203 0 126 SER A OG  1 ? 
ATOM   928  N  N   . SER A 1 127 ? 13.188  -12.239 19.720  1.000 28.873 0 127 SER A N   1 ? 
ATOM   929  C  CA  . SER A 1 127 ? 13.574  -10.834 19.745  1.000 32.781 0 127 SER A CA  1 ? 
ATOM   930  C  C   . SER A 1 127 ? 14.582  -10.644 18.626  1.000 35.483 0 127 SER A C   1 ? 
ATOM   931  O  O   . SER A 1 127 ? 15.726  -11.060 18.751  1.000 44.796 0 127 SER A O   1 ? 
ATOM   932  C  CB  . SER A 1 127 ? 14.158  -10.413 21.074  1.000 38.414 0 127 SER A CB  1 ? 
ATOM   933  O  OG  . SER A 1 127 ? 13.161  -10.368 22.089  1.000 42.979 0 127 SER A OG  1 ? 
ATOM   934  N  N   . GLY A 1 128 ? 14.136  -10.060 17.523  1.000 32.180 0 128 GLY A N   1 ? 
ATOM   935  C  CA  . GLY A 1 128 ? 14.909  -10.185 16.301  1.000 32.104 0 128 GLY A CA  1 ? 
ATOM   936  C  C   . GLY A 1 128 ? 14.047  -10.743 15.174  1.000 27.917 0 128 GLY A C   1 ? 
ATOM   937  O  O   . GLY A 1 128 ? 12.854  -11.058 15.374  1.000 29.149 0 128 GLY A O   1 ? 
ATOM   938  N  N   . THR A 1 129 ? 14.679  -10.813 13.990  1.000 23.598 0 129 THR A N   1 ? 
ATOM   939  C  CA  . THR A 1 129 ? 14.024  -11.282 12.782  1.000 20.273 0 129 THR A CA  1 ? 
ATOM   940  C  C   . THR A 1 129 ? 14.964  -12.198 12.012  1.000 18.844 0 129 THR A C   1 ? 
ATOM   941  O  O   . THR A 1 129 ? 16.017  -11.764 11.543  1.000 21.724 0 129 THR A O   1 ? 
ATOM   942  C  CB  . THR A 1 129 ? 13.627  -10.092 11.921  1.000 26.015 0 129 THR A CB  1 ? 
ATOM   943  O  OG1 . THR A 1 129 ? 12.821  -9.329  12.810  1.000 31.681 0 129 THR A OG1 1 ? 
ATOM   944  C  CG2 . THR A 1 129 ? 12.789  -10.463 10.720  1.000 28.735 0 129 THR A CG2 1 ? 
ATOM   945  N  N   . SER A 1 130 ? 14.490  -13.430 11.775  1.000 15.005 0 130 SER A N   1 ? 
ATOM   946  C  CA  . SER A 1 130 ? 15.141  -14.376 10.889  1.000 14.421 0 130 SER A CA  1 ? 
ATOM   947  C  C   . SER A 1 130 ? 14.089  -15.307 10.270  1.000 13.621 0 130 SER A C   1 ? 
ATOM   948  O  O   . SER A 1 130 ? 13.346  -15.972 10.996  1.000 15.506 0 130 SER A O   1 ? 
ATOM   949  C  CB  . SER A 1 130 ? 16.141  -15.175 11.601  1.000 15.738 0 130 SER A CB  1 ? 
ATOM   950  O  OG  . SER A 1 130 ? 16.809  -15.979 10.643  1.000 16.968 0 130 SER A OG  1 ? 
ATOM   951  N  N   . TYR A 1 131 ? 13.963  -15.292 8.942   1.000 12.758 0 131 TYR A N   1 ? 
ATOM   952  C  CA  . TYR A 1 131 ? 12.943  -16.068 8.258   1.000 12.786 0 131 TYR A CA  1 ? 
ATOM   953  C  C   . TYR A 1 131 ? 13.605  -17.297 7.650   1.000 14.078 0 131 TYR A C   1 ? 
ATOM   954  O  O   . TYR A 1 131 ? 14.573  -17.168 6.908   1.000 15.270 0 131 TYR A O   1 ? 
ATOM   955  C  CB  . TYR A 1 131 ? 12.156  -15.246 7.212   1.000 13.750 0 131 TYR A CB  1 ? 
ATOM   956  C  CG  . TYR A 1 131 ? 11.171  -14.315 7.877   1.000 15.269 0 131 TYR A CG  1 ? 
ATOM   957  C  CD1 . TYR A 1 131 ? 11.564  -13.071 8.358   1.000 16.885 0 131 TYR A CD1 1 ? 
ATOM   958  C  CD2 . TYR A 1 131 ? 9.853   -14.705 8.092   1.000 16.621 0 131 TYR A CD2 1 ? 
ATOM   959  C  CE1 . TYR A 1 131 ? 10.678  -12.237 9.008   1.000 18.782 0 131 TYR A CE1 1 ? 
ATOM   960  C  CE2 . TYR A 1 131 ? 8.955   -13.861 8.722   1.000 18.347 0 131 TYR A CE2 1 ? 
ATOM   961  C  CZ  . TYR A 1 131 ? 9.373   -12.632 9.196   1.000 19.273 0 131 TYR A CZ  1 ? 
ATOM   962  O  OH  . TYR A 1 131 ? 8.475   -11.801 9.826   1.000 25.824 0 131 TYR A OH  1 ? 
ATOM   963  N  N   . PRO A 1 132 ? 13.118  -18.517 7.951   1.000 11.183 0 132 PRO A N   1 ? 
ATOM   964  C  CA  . PRO A 1 132 ? 13.668  -19.770 7.437   1.000 11.642 0 132 PRO A CA  1 ? 
ATOM   965  C  C   . PRO A 1 132 ? 13.197  -19.940 5.989   1.000 14.037 0 132 PRO A C   1 ? 
ATOM   966  O  O   . PRO A 1 132 ? 12.206  -19.377 5.546   1.000 17.177 0 132 PRO A O   1 ? 
ATOM   967  C  CB  . PRO A 1 132 ? 13.047  -20.831 8.384   1.000 11.532 0 132 PRO A CB  1 ? 
ATOM   968  C  CG  . PRO A 1 132 ? 11.693  -20.256 8.643   1.000 10.967 0 132 PRO A CG  1 ? 
ATOM   969  C  CD  . PRO A 1 132 ? 11.893  -18.728 8.740   1.000 10.577 0 132 PRO A CD  1 ? 
ATOM   970  N  N   . ASP A 1 133 ? 13.903  -20.767 5.274   1.000 14.062 0 133 ASP A N   1 ? 
ATOM   971  C  CA  . ASP A 1 133 ? 13.484  -21.076 3.926   1.000 15.581 0 133 ASP A CA  1 ? 
ATOM   972  C  C   . ASP A 1 133 ? 12.731  -22.408 3.946   1.000 12.682 0 133 ASP A C   1 ? 
ATOM   973  O  O   . ASP A 1 133 ? 11.848  -22.577 3.108   1.000 11.229 0 133 ASP A O   1 ? 
ATOM   974  C  CB  . ASP A 1 133 ? 14.643  -20.982 2.954   1.000 19.230 0 133 ASP A CB  1 ? 
ATOM   975  C  CG  . ASP A 1 133 ? 15.202  -19.574 2.775   1.000 27.368 0 133 ASP A CG  1 ? 
ATOM   976  O  OD1 . ASP A 1 133 ? 14.427  -18.673 2.388   1.000 30.205 0 133 ASP A OD1 1 ? 
ATOM   977  O  OD2 . ASP A 1 133 ? 16.410  -19.377 3.072   1.000 30.792 0 133 ASP A OD2 1 ? 
ATOM   978  N  N   . VAL A 1 134 ? 13.038  -23.296 4.905   1.000 10.280 0 134 VAL A N   1 ? 
ATOM   979  C  CA  . VAL A 1 134 ? 12.387  -24.597 4.994   1.000 9.283  0 134 VAL A CA  1 ? 
ATOM   980  C  C   . VAL A 1 134 ? 11.348  -24.602 6.106   1.000 7.902  0 134 VAL A C   1 ? 
ATOM   981  O  O   . VAL A 1 134 ? 11.364  -23.756 6.973   1.000 8.805  0 134 VAL A O   1 ? 
ATOM   982  C  CB  . VAL A 1 134 ? 13.349  -25.762 5.193   1.000 9.586  0 134 VAL A CB  1 ? 
ATOM   983  C  CG1 . VAL A 1 134 ? 14.254  -25.882 3.966   1.000 11.455 0 134 VAL A CG1 1 ? 
ATOM   984  C  CG2 . VAL A 1 134 ? 14.121  -25.635 6.477   1.000 11.447 0 134 VAL A CG2 1 ? 
ATOM   985  N  N   . LEU A 1 135 ? 10.405  -25.532 6.022   1.000 7.871  0 135 LEU A N   1 ? 
ATOM   986  C  CA  . LEU A 1 135 ? 9.261   -25.528 6.936   1.000 7.108  0 135 LEU A CA  1 ? 
ATOM   987  C  C   . LEU A 1 135 ? 9.714   -25.919 8.346   1.000 7.250  0 135 LEU A C   1 ? 
ATOM   988  O  O   . LEU A 1 135 ? 10.419  -26.918 8.522   1.000 7.136  0 135 LEU A O   1 ? 
ATOM   989  C  CB  . LEU A 1 135 ? 8.182   -26.491 6.442   1.000 7.368  0 135 LEU A CB  1 ? 
ATOM   990  C  CG  . LEU A 1 135 ? 6.856   -26.524 7.187   1.000 7.813  0 135 LEU A CG  1 ? 
ATOM   991  C  CD1 . LEU A 1 135 ? 6.070   -25.221 7.076   1.000 7.591  0 135 LEU A CD1 1 ? 
ATOM   992  C  CD2 . LEU A 1 135 ? 5.951   -27.661 6.715   1.000 9.010  0 135 LEU A CD2 1 ? 
ATOM   993  N  N   . LYS A 1 136 ? 9.214   -25.204 9.357   1.000 7.924  0 136 LYS A N   1 ? 
ATOM   994  C  CA  . LYS A 1 136 ? 9.495   -25.477 10.752  1.000 8.099  0 136 LYS A CA  1 ? 
ATOM   995  C  C   . LYS A 1 136 ? 8.237   -26.015 11.424  1.000 8.263  0 136 LYS A C   1 ? 
ATOM   996  O  O   . LYS A 1 136 ? 7.130   -25.648 11.032  1.000 7.531  0 136 LYS A O   1 ? 
ATOM   997  C  CB  . LYS A 1 136 ? 10.063  -24.256 11.490  1.000 9.647  0 136 LYS A CB  1 ? 
ATOM   998  C  CG  . LYS A 1 136 ? 11.313  -23.651 10.876  1.000 10.962 0 136 LYS A CG  1 ? 
ATOM   999  C  CD  . LYS A 1 136 ? 12.551  -24.510 11.085  1.000 14.760 0 136 LYS A CD  1 ? 
ATOM   1000 C  CE  . LYS A 1 136 ? 13.759  -24.003 10.337  1.000 17.041 0 136 LYS A CE  1 ? 
ATOM   1001 N  NZ  . LYS A 1 136 ? 14.907  -24.768 10.822  1.000 21.245 0 136 LYS A NZ  1 ? 
ATOM   1002 N  N   . CYS A 1 137 ? 8.472   -26.746 12.512  1.000 7.632  0 137 CYS A N   1 ? 
ATOM   1003 C  CA  . CYS A 1 137 ? 7.463   -27.525 13.221  1.000 6.975  0 137 CYS A CA  1 ? 
ATOM   1004 C  C   . CYS A 1 137 ? 7.663   -27.298 14.722  1.000 7.354  0 137 CYS A C   1 ? 
ATOM   1005 O  O   . CYS A 1 137 ? 8.762   -27.075 15.179  1.000 8.027  0 137 CYS A O   1 ? 
ATOM   1006 C  CB  . CYS A 1 137 ? 7.627   -29.013 12.954  1.000 7.557  0 137 CYS A CB  1 ? 
ATOM   1007 S  SG  . CYS A 1 137 ? 6.767   -29.565 11.437  1.000 7.731  0 137 CYS A SG  1 ? 
ATOM   1008 N  N   . LEU A 1 138 ? 6.566   -27.350 15.465  1.000 6.939  0 138 LEU A N   1 ? 
ATOM   1009 C  CA  . LEU A 1 138 ? 6.551   -27.250 16.902  1.000 7.368  0 138 LEU A CA  1 ? 
ATOM   1010 C  C   . LEU A 1 138 ? 5.436   -28.140 17.435  1.000 7.083  0 138 LEU A C   1 ? 
ATOM   1011 O  O   . LEU A 1 138 ? 4.281   -28.051 17.044  1.000 7.384  0 138 LEU A O   1 ? 
ATOM   1012 C  CB  . LEU A 1 138 ? 6.284   -25.795 17.313  1.000 8.406  0 138 LEU A CB  1 ? 
ATOM   1013 C  CG  . LEU A 1 138 ? 6.203   -25.579 18.829  1.000 9.355  0 138 LEU A CG  1 ? 
ATOM   1014 C  CD1 . LEU A 1 138 ? 7.498   -25.847 19.516  1.000 10.362 0 138 LEU A CD1 1 ? 
ATOM   1015 C  CD2 . LEU A 1 138 ? 5.765   -24.144 19.118  1.000 9.547  0 138 LEU A CD2 1 ? 
ATOM   1016 N  N   . LYS A 1 139 ? 5.785   -28.989 18.391  1.000 7.461  0 139 LYS A N   1 ? 
ATOM   1017 C  CA  . LYS A 1 139 ? 4.791   -29.722 19.147  1.000 8.457  0 139 LYS A CA  1 ? 
ATOM   1018 C  C   . LYS A 1 139 ? 4.448   -28.928 20.398  1.000 8.893  0 139 LYS A C   1 ? 
ATOM   1019 O  O   . LYS A 1 139 ? 5.341   -28.471 21.084  1.000 11.006 0 139 LYS A O   1 ? 
ATOM   1020 C  CB  . LYS A 1 139 ? 5.330   -31.112 19.484  1.000 9.615  0 139 LYS A CB  1 ? 
ATOM   1021 C  CG  . LYS A 1 139 ? 5.370   -32.000 18.261  1.000 10.395 0 139 LYS A CG  1 ? 
ATOM   1022 C  CD  . LYS A 1 139 ? 5.819   -33.414 18.612  1.000 11.068 0 139 LYS A CD  1 ? 
ATOM   1023 C  CE  . LYS A 1 139 ? 5.776   -34.314 17.405  1.000 12.512 0 139 LYS A CE  1 ? 
ATOM   1024 N  NZ  . LYS A 1 139 ? 6.086   -35.700 17.803  1.000 13.305 0 139 LYS A NZ  1 ? 
ATOM   1025 N  N   . ALA A 1 140 ? 3.152   -28.737 20.638  1.000 9.196  0 140 ALA A N   1 ? 
ATOM   1026 C  CA  . ALA A 1 140 ? 2.737   -27.921 21.774  1.000 9.389  0 140 ALA A CA  1 ? 
ATOM   1027 C  C   . ALA A 1 140 ? 1.378   -28.370 22.268  1.000 9.000  0 140 ALA A C   1 ? 
ATOM   1028 O  O   . ALA A 1 140 ? 0.562   -28.787 21.461  1.000 9.727  0 140 ALA A O   1 ? 
ATOM   1029 C  CB  . ALA A 1 140 ? 2.658   -26.492 21.340  1.000 10.840 0 140 ALA A CB  1 ? 
ATOM   1030 N  N   . PRO A 1 141 ? 1.101   -28.209 23.581  1.000 8.550  0 141 PRO A N   1 ? 
ATOM   1031 C  CA  . PRO A 1 141 ? -0.214  -28.562 24.083  1.000 8.761  0 141 PRO A CA  1 ? 
ATOM   1032 C  C   . PRO A 1 141 ? -1.185  -27.392 24.063  1.000 8.133  0 141 PRO A C   1 ? 
ATOM   1033 O  O   . PRO A 1 141 ? -0.802  -26.244 24.198  1.000 9.236  0 141 PRO A O   1 ? 
ATOM   1034 C  CB  . PRO A 1 141 ? 0.191   -28.947 25.533  1.000 9.333  0 141 PRO A CB  1 ? 
ATOM   1035 C  CG  . PRO A 1 141 ? 1.230   -27.951 25.884  1.000 10.108 0 141 PRO A CG  1 ? 
ATOM   1036 C  CD  . PRO A 1 141 ? 2.067   -27.843 24.634  1.000 10.268 0 141 PRO A CD  1 ? 
ATOM   1037 N  N   . ILE A 1 142 ? -2.438  -27.733 23.990  1.000 8.980  0 142 ILE A N   1 ? 
ATOM   1038 C  CA  . ILE A 1 142 ? -3.513  -26.790 24.210  1.000 8.610  0 142 ILE A CA  1 ? 
ATOM   1039 C  C   . ILE A 1 142 ? -3.564  -26.469 25.688  1.000 9.170  0 142 ILE A C   1 ? 
ATOM   1040 O  O   . ILE A 1 142 ? -3.431  -27.386 26.506  1.000 10.467 0 142 ILE A O   1 ? 
ATOM   1041 C  CB  . ILE A 1 142 ? -4.827  -27.365 23.702  1.000 8.707  0 142 ILE A CB  1 ? 
ATOM   1042 C  CG1 . ILE A 1 142 ? -4.775  -27.575 22.167  1.000 9.115  0 142 ILE A CG1 1 ? 
ATOM   1043 C  CG2 . ILE A 1 142 ? -5.981  -26.475 24.120  1.000 9.552  0 142 ILE A CG2 1 ? 
ATOM   1044 C  CD1 . ILE A 1 142 ? -6.046  -28.196 21.622  1.000 11.264 0 142 ILE A CD1 1 ? 
ATOM   1045 N  N   . LEU A 1 143 ? -3.662  -25.175 26.021  1.000 8.859  0 143 LEU A N   1 ? 
ATOM   1046 C  CA  . LEU A 1 143 ? -3.730  -24.720 27.413  1.000 9.868  0 143 LEU A CA  1 ? 
ATOM   1047 C  C   . LEU A 1 143 ? -5.194  -24.573 27.827  1.000 11.048 0 143 LEU A C   1 ? 
ATOM   1048 O  O   . LEU A 1 143 ? -6.104  -24.487 27.011  1.000 11.067 0 143 LEU A O   1 ? 
ATOM   1049 C  CB  . LEU A 1 143 ? -3.002  -23.379 27.482  1.000 10.797 0 143 LEU A CB  1 ? 
ATOM   1050 C  CG  . LEU A 1 143 ? -1.537  -23.422 27.082  1.000 12.357 0 143 LEU A CG  1 ? 
ATOM   1051 C  CD1 . LEU A 1 143 ? -0.907  -22.060 27.141  1.000 15.195 0 143 LEU A CD1 1 ? 
ATOM   1052 C  CD2 . LEU A 1 143 ? -0.676  -24.388 27.873  1.000 15.269 0 143 LEU A CD2 1 ? 
ATOM   1053 N  N   . SER A 1 144 ? -5.422  -24.597 29.147  1.000 11.148 0 144 SER A N   1 ? 
ATOM   1054 C  CA  . SER A 1 144 ? -6.750  -24.446 29.686  1.000 12.686 0 144 SER A CA  1 ? 
ATOM   1055 C  C   . SER A 1 144 ? -7.326  -23.088 29.310  1.000 12.077 0 144 SER A C   1 ? 
ATOM   1056 O  O   . SER A 1 144 ? -6.615  -22.087 29.149  1.000 12.563 0 144 SER A O   1 ? 
ATOM   1057 C  CB  . SER A 1 144 ? -6.718  -24.615 31.188  1.000 13.464 0 144 SER A CB  1 ? 
ATOM   1058 O  OG  . SER A 1 144 ? -5.968  -23.627 31.871  1.000 15.203 0 144 SER A OG  1 ? 
ATOM   1059 N  N   . ASP A 1 145 ? -8.653  -23.022 29.270  1.000 15.252 0 145 ASP A N   1 ? 
ATOM   1060 C  CA  . ASP A 1 145 ? -9.322  -21.759 29.047  1.000 17.106 0 145 ASP A CA  1 ? 
ATOM   1061 C  C   . ASP A 1 145 ? -8.963  -20.769 30.140  1.000 15.419 0 145 ASP A C   1 ? 
ATOM   1062 O  O   . ASP A 1 145 ? -8.783  -19.585 29.863  1.000 15.059 0 145 ASP A O   1 ? 
ATOM   1063 C  CB  . ASP A 1 145 ? -10.835 -21.899 29.088  1.000 21.166 0 145 ASP A CB  1 ? 
ATOM   1064 C  CG  . ASP A 1 145 ? -11.591 -20.681 28.567  1.000 30.855 0 145 ASP A CG  1 ? 
ATOM   1065 O  OD1 . ASP A 1 145 ? -11.225 -20.151 27.475  1.000 34.261 0 145 ASP A OD1 1 ? 
ATOM   1066 O  OD2 . ASP A 1 145 ? -12.572 -20.296 29.230  1.000 36.564 0 145 ASP A OD2 1 ? 
ATOM   1067 N  N   . SER A 1 146 ? -8.851  -21.236 31.376  1.000 16.889 0 146 SER A N   1 ? 
ATOM   1068 C  CA  . SER A 1 146 ? -8.605  -20.291 32.459  1.000 19.164 0 146 SER A CA  1 ? 
ATOM   1069 C  C   . SER A 1 146 ? -7.184  -19.737 32.367  1.000 16.559 0 146 SER A C   1 ? 
ATOM   1070 O  O   . SER A 1 146 ? -6.953  -18.533 32.546  1.000 15.590 0 146 SER A O   1 ? 
ATOM   1071 C  CB  . SER A 1 146 ? -8.925  -20.849 33.830  1.000 22.283 0 146 SER A CB  1 ? 
ATOM   1072 O  OG  . SER A 1 146 ? -8.059  -21.923 34.122  1.000 28.836 0 146 SER A OG  1 ? 
ATOM   1073 N  N   . SER A 1 147 ? -6.217  -20.542 31.939  1.000 14.149 0 147 SER A N   1 ? 
ATOM   1074 C  CA  . SER A 1 147 ? -4.874  -19.999 31.836  1.000 15.075 0 147 SER A CA  1 ? 
ATOM   1075 C  C   . SER A 1 147 ? -4.770  -19.081 30.623  1.000 13.802 0 147 SER A C   1 ? 
ATOM   1076 O  O   . SER A 1 147 ? -4.058  -18.085 30.668  1.000 13.463 0 147 SER A O   1 ? 
ATOM   1077 C  CB  . SER A 1 147 ? -3.828  -21.037 31.781  1.000 18.151 0 147 SER A CB  1 ? 
ATOM   1078 O  OG  . SER A 1 147 ? -3.905  -21.731 30.570  1.000 22.062 0 147 SER A OG  1 ? 
ATOM   1079 N  N   . CYS A 1 148 ? -5.531  -19.397 29.567  1.000 11.988 0 148 CYS A N   1 ? 
ATOM   1080 C  CA  . CYS A 1 148 ? -5.553  -18.561 28.377  1.000 11.351 0 148 CYS A CA  1 ? 
ATOM   1081 C  C   . CYS A 1 148 ? -6.135  -17.182 28.686  1.000 10.507 0 148 CYS A C   1 ? 
ATOM   1082 O  O   . CYS A 1 148 ? -5.543  -16.145 28.367  1.000 11.630 0 148 CYS A O   1 ? 
ATOM   1083 C  CB  . CYS A 1 148 ? -6.347  -19.292 27.299  1.000 10.557 0 148 CYS A CB  1 ? 
ATOM   1084 S  SG  . CYS A 1 148 ? -6.285  -18.559 25.656  1.000 10.949 0 148 CYS A SG  1 ? 
ATOM   1085 N  N   . LYS A 1 149 ? -7.313  -17.186 29.348  1.000 12.241 0 149 LYS A N   1 ? 
ATOM   1086 C  CA  . LYS A 1 149 ? -7.958  -15.943 29.751  1.000 13.262 0 149 LYS A CA  1 ? 
ATOM   1087 C  C   . LYS A 1 149 ? -7.128  -15.142 30.754  1.000 13.654 0 149 LYS A C   1 ? 
ATOM   1088 O  O   . LYS A 1 149 ? -7.083  -13.912 30.671  1.000 15.404 0 149 LYS A O   1 ? 
ATOM   1089 C  CB  . LYS A 1 149 ? -9.358  -16.260 30.265  1.000 14.147 0 149 LYS A CB  1 ? 
ATOM   1090 C  CG  . LYS A 1 149 ? -10.322 -16.692 29.184  1.000 17.103 0 149 LYS A CG  1 ? 
ATOM   1091 C  CD  . LYS A 1 149 ? -11.750 -16.893 29.651  1.000 20.647 0 149 LYS A CD  1 ? 
ATOM   1092 C  CE  . LYS A 1 149 ? -12.644 -16.993 28.461  1.000 27.508 0 149 LYS A CE  1 ? 
ATOM   1093 N  NZ  . LYS A 1 149 ? -13.957 -17.487 28.895  1.000 33.958 0 149 LYS A NZ  1 ? 
ATOM   1094 N  N   . SER A 1 150 ? -6.433  -15.825 31.671  1.000 13.115 0 150 SER A N   1 ? 
ATOM   1095 C  CA  . SER A 1 150 ? -5.573  -15.127 32.609  1.000 15.437 0 150 SER A CA  1 ? 
ATOM   1096 C  C   . SER A 1 150 ? -4.371  -14.479 31.929  1.000 12.587 0 150 SER A C   1 ? 
ATOM   1097 O  O   . SER A 1 150 ? -3.922  -13.422 32.368  1.000 13.636 0 150 SER A O   1 ? 
ATOM   1098 C  CB  . SER A 1 150 ? -5.108  -16.042 33.721  1.000 17.558 0 150 SER A CB  1 ? 
ATOM   1099 O  OG  . SER A 1 150 ? -6.285  -16.295 34.466  1.000 23.361 0 150 SER A OG  1 ? 
ATOM   1100 N  N   . ALA A 1 151 ? -3.855  -15.091 30.843  1.000 11.266 0 151 ALA A N   1 ? 
ATOM   1101 C  CA  . ALA A 1 151 ? -2.724  -14.553 30.110  1.000 10.820 0 151 ALA A CA  1 ? 
ATOM   1102 C  C   . ALA A 1 151 ? -3.097  -13.299 29.328  1.000 10.834 0 151 ALA A C   1 ? 
ATOM   1103 O  O   . ALA A 1 151 ? -2.259  -12.390 29.174  1.000 11.116 0 151 ALA A O   1 ? 
ATOM   1104 C  CB  . ALA A 1 151 ? -2.189  -15.630 29.170  1.000 11.579 0 151 ALA A CB  1 ? 
ATOM   1105 N  N   . TYR A 1 152 ? -4.353  -13.246 28.855  1.000 10.388 0 152 TYR A N   1 ? 
ATOM   1106 C  CA  . TYR A 1 152 ? -4.801  -12.176 27.987  1.000 11.033 0 152 TYR A CA  1 ? 
ATOM   1107 C  C   . TYR A 1 152 ? -6.161  -11.707 28.454  1.000 10.665 0 152 TYR A C   1 ? 
ATOM   1108 O  O   . TYR A 1 152 ? -7.162  -11.951 27.805  1.000 10.368 0 152 TYR A O   1 ? 
ATOM   1109 C  CB  . TYR A 1 152 ? -4.923  -12.718 26.567  1.000 10.033 0 152 TYR A CB  1 ? 
ATOM   1110 C  CG  . TYR A 1 152 ? -3.612  -13.070 25.874  1.000 8.635  0 152 TYR A CG  1 ? 
ATOM   1111 C  CD1 . TYR A 1 152 ? -2.803  -12.061 25.358  1.000 9.332  0 152 TYR A CD1 1 ? 
ATOM   1112 C  CD2 . TYR A 1 152 ? -3.212  -14.384 25.657  1.000 9.147  0 152 TYR A CD2 1 ? 
ATOM   1113 C  CE1 . TYR A 1 152 ? -1.621  -12.336 24.694  1.000 9.527  0 152 TYR A CE1 1 ? 
ATOM   1114 C  CE2 . TYR A 1 152 ? -2.032  -14.672 24.982  1.000 8.634  0 152 TYR A CE2 1 ? 
ATOM   1115 C  CZ  . TYR A 1 152 ? -1.235  -13.655 24.496  1.000 9.626  0 152 TYR A CZ  1 ? 
ATOM   1116 O  OH  . TYR A 1 152 ? -0.101  -13.980 23.819  1.000 9.216  0 152 TYR A OH  1 ? 
ATOM   1117 N  N   . PRO A 1 153 ? -6.209  -10.981 29.595  1.000 11.531 0 153 PRO A N   1 ? 
ATOM   1118 C  CA  . PRO A 1 153 ? -7.476  -10.501 30.128  1.000 13.011 0 153 PRO A CA  1 ? 
ATOM   1119 C  C   . PRO A 1 153 ? -8.285  -9.694  29.129  1.000 10.938 0 153 PRO A C   1 ? 
ATOM   1120 O  O   . PRO A 1 153 ? -7.751  -8.831  28.466  1.000 12.341 0 153 PRO A O   1 ? 
ATOM   1121 C  CB  . PRO A 1 153 ? -7.056  -9.587  31.306  1.000 14.963 0 153 PRO A CB  1 ? 
ATOM   1122 C  CG  . PRO A 1 153 ? -5.622  -9.942  31.602  1.000 13.774 0 153 PRO A CG  1 ? 
ATOM   1123 C  CD  . PRO A 1 153 ? -5.036  -10.597 30.374  1.000 13.164 0 153 PRO A CD  1 ? 
ATOM   1124 N  N   . GLY A 1 154 ? -9.555  -10.075 28.984  1.000 11.975 0 154 GLY A N   1 ? 
ATOM   1125 C  CA  . GLY A 1 154 ? -10.520 -9.320  28.222  1.000 13.069 0 154 GLY A CA  1 ? 
ATOM   1126 C  C   . GLY A 1 154 ? -10.383 -9.537  26.730  1.000 12.512 0 154 GLY A C   1 ? 
ATOM   1127 O  O   . GLY A 1 154 ? -10.938 -8.748  25.984  1.000 15.516 0 154 GLY A O   1 ? 
ATOM   1128 N  N   . GLN A 1 155 ? -9.577  -10.521 26.310  1.000 11.576 0 155 GLN A N   1 ? 
ATOM   1129 C  CA  . GLN A 1 155 ? -9.264  -10.640 24.887  1.000 9.869  0 155 GLN A CA  1 ? 
ATOM   1130 C  C   . GLN A 1 155 ? -9.635  -11.989 24.277  1.000 9.604  0 155 GLN A C   1 ? 
ATOM   1131 O  O   . GLN A 1 155 ? -9.600  -12.092 23.036  1.000 11.532 0 155 GLN A O   1 ? 
ATOM   1132 C  CB  . GLN A 1 155 ? -7.781  -10.422 24.623  1.000 9.879  0 155 GLN A CB  1 ? 
ATOM   1133 C  CG  . GLN A 1 155 ? -7.320  -9.016  25.021  1.000 11.521 0 155 GLN A CG  1 ? 
ATOM   1134 C  CD  . GLN A 1 155 ? -5.846  -8.884  25.306  1.000 12.502 0 155 GLN A CD  1 ? 
ATOM   1135 O  OE1 . GLN A 1 155 ? -5.021  -8.973  24.404  1.000 16.364 0 155 GLN A OE1 1 ? 
ATOM   1136 N  NE2 . GLN A 1 155 ? -5.502  -8.783  26.579  1.000 13.928 0 155 GLN A NE2 1 ? 
ATOM   1137 N  N   . ILE A 1 156 ? -9.852  -13.014 25.093  1.000 9.292  0 156 ILE A N   1 ? 
ATOM   1138 C  CA  . ILE A 1 156 ? -10.051 -14.348 24.563  1.000 9.314  0 156 ILE A CA  1 ? 
ATOM   1139 C  C   . ILE A 1 156 ? -11.548 -14.600 24.439  1.000 10.524 0 156 ILE A C   1 ? 
ATOM   1140 O  O   . ILE A 1 156 ? -12.226 -14.682 25.451  1.000 13.972 0 156 ILE A O   1 ? 
ATOM   1141 C  CB  . ILE A 1 156 ? -9.391  -15.376 25.476  1.000 10.183 0 156 ILE A CB  1 ? 
ATOM   1142 C  CG1 . ILE A 1 156 ? -7.915  -15.127 25.617  1.000 9.396  0 156 ILE A CG1 1 ? 
ATOM   1143 C  CG2 . ILE A 1 156 ? -9.687  -16.792 24.963  1.000 10.104 0 156 ILE A CG2 1 ? 
ATOM   1144 C  CD1 . ILE A 1 156 ? -7.146  -15.172 24.309  1.000 9.018  0 156 ILE A CD1 1 ? 
ATOM   1145 N  N   . THR A 1 157 ? -12.023 -14.815 23.209  1.000 8.672  0 157 THR A N   1 ? 
ATOM   1146 C  CA  . THR A 1 157 ? -13.416 -15.188 22.958  1.000 9.061  0 157 THR A CA  1 ? 
ATOM   1147 C  C   . THR A 1 157 ? -13.571 -16.709 22.915  1.000 9.013  0 157 THR A C   1 ? 
ATOM   1148 O  O   . THR A 1 157 ? -12.593 -17.440 22.932  1.000 9.784  0 157 THR A O   1 ? 
ATOM   1149 C  CB  . THR A 1 157 ? -13.954 -14.584 21.659  1.000 9.428  0 157 THR A CB  1 ? 
ATOM   1150 O  OG1 . THR A 1 157 ? -13.340 -15.317 20.591  1.000 9.563  0 157 THR A OG1 1 ? 
ATOM   1151 C  CG2 . THR A 1 157 ? -13.633 -13.105 21.536  1.000 9.620  0 157 THR A CG2 1 ? 
ATOM   1152 N  N   . SER A 1 158 ? -14.837 -17.149 22.827  1.000 10.001 0 158 SER A N   1 ? 
ATOM   1153 C  CA  . SER A 1 158 ? -15.172 -18.549 22.720  1.000 10.760 0 158 SER A CA  1 ? 
ATOM   1154 C  C   . SER A 1 158 ? -14.686 -19.168 21.408  1.000 9.408  0 158 SER A C   1 ? 
ATOM   1155 O  O   . SER A 1 158 ? -14.771 -20.393 21.244  1.000 11.022 0 158 SER A O   1 ? 
ATOM   1156 C  CB  . SER A 1 158 ? -16.671 -18.685 22.878  1.000 12.255 0 158 SER A CB  1 ? 
ATOM   1157 O  OG  . SER A 1 158 ? -17.376 -18.140 21.778  1.000 17.625 0 158 SER A OG  1 ? 
ATOM   1158 N  N   . ASN A 1 159 ? -14.211 -18.329 20.466  1.000 8.380  0 159 ASN A N   1 ? 
ATOM   1159 C  CA  . ASN A 1 159 ? -13.679 -18.764 19.185  1.000 8.117  0 159 ASN A CA  1 ? 
ATOM   1160 C  C   . ASN A 1 159 ? -12.149 -18.798 19.137  1.000 7.594  0 159 ASN A C   1 ? 
ATOM   1161 O  O   . ASN A 1 159 ? -11.591 -18.939 18.066  1.000 7.883  0 159 ASN A O   1 ? 
ATOM   1162 C  CB  . ASN A 1 159 ? -14.212 -17.882 18.072  1.000 9.063  0 159 ASN A CB  1 ? 
ATOM   1163 C  CG  . ASN A 1 159 ? -15.709 -17.881 18.033  1.000 8.671  0 159 ASN A CG  1 ? 
ATOM   1164 O  OD1 . ASN A 1 159 ? -16.316 -18.950 17.991  1.000 9.839  0 159 ASN A OD1 1 ? 
ATOM   1165 N  ND2 . ASN A 1 159 ? -16.291 -16.694 18.056  1.000 10.091 0 159 ASN A ND2 1 ? 
ATOM   1166 N  N   . MET A 1 160 ? -11.518 -18.762 20.309  1.000 7.469  0 160 MET A N   1 ? 
ATOM   1167 C  CA  . MET A 1 160 ? -10.065 -18.766 20.432  1.000 7.848  0 160 MET A CA  1 ? 
ATOM   1168 C  C   . MET A 1 160 ? -9.655  -19.812 21.459  1.000 7.991  0 160 MET A C   1 ? 
ATOM   1169 O  O   . MET A 1 160 ? -10.404 -20.068 22.447  1.000 10.020 0 160 MET A O   1 ? 
ATOM   1170 C  CB  . MET A 1 160 ? -9.587  -17.396 20.898  1.000 7.712  0 160 MET A CB  1 ? 
ATOM   1171 C  CG  . MET A 1 160 ? -9.907  -16.287 19.929  1.000 8.261  0 160 MET A CG  1 ? 
ATOM   1172 S  SD  . MET A 1 160 ? -9.467  -14.680 20.649  1.000 8.272  0 160 MET A SD  1 ? 
ATOM   1173 C  CE  . MET A 1 160 ? -10.283 -13.555 19.495  1.000 9.774  0 160 MET A CE  1 ? 
ATOM   1174 N  N   . PHE A 1 161 ? -8.441  -20.351 21.278  1.000 7.555  0 161 PHE A N   1 ? 
ATOM   1175 C  CA  . PHE A 1 161 ? -7.789  -21.080 22.349  1.000 7.944  0 161 PHE A CA  1 ? 
ATOM   1176 C  C   . PHE A 1 161 ? -6.303  -20.782 22.336  1.000 7.964  0 161 PHE A C   1 ? 
ATOM   1177 O  O   . PHE A 1 161 ? -5.712  -20.279 21.355  1.000 8.110  0 161 PHE A O   1 ? 
ATOM   1178 C  CB  . PHE A 1 161 ? -8.056  -22.572 22.227  1.000 8.183  0 161 PHE A CB  1 ? 
ATOM   1179 C  CG  . PHE A 1 161 ? -7.395  -23.294 21.044  1.000 8.491  0 161 PHE A CG  1 ? 
ATOM   1180 C  CD1 . PHE A 1 161 ? -6.115  -23.809 21.123  1.000 9.785  0 161 PHE A CD1 1 ? 
ATOM   1181 C  CD2 . PHE A 1 161 ? -8.055  -23.443 19.831  1.000 9.595  0 161 PHE A CD2 1 ? 
ATOM   1182 C  CE1 . PHE A 1 161 ? -5.527  -24.480 20.065  1.000 10.762 0 161 PHE A CE1 1 ? 
ATOM   1183 C  CE2 . PHE A 1 161 ? -7.476  -24.125 18.760  1.000 9.662  0 161 PHE A CE2 1 ? 
ATOM   1184 C  CZ  . PHE A 1 161 ? -6.204  -24.652 18.883  1.000 9.331  0 161 PHE A CZ  1 ? 
ATOM   1185 N  N   . CYS A 1 162 ? -5.684  -21.066 23.458  1.000 8.039  0 162 CYS A N   1 ? 
ATOM   1186 C  CA  . CYS A 1 162 ? -4.259  -20.849 23.601  1.000 8.115  0 162 CYS A CA  1 ? 
ATOM   1187 C  C   . CYS A 1 162 ? -3.555  -22.207 23.518  1.000 8.611  0 162 CYS A C   1 ? 
ATOM   1188 O  O   . CYS A 1 162 ? -4.039  -23.235 23.982  1.000 8.243  0 162 CYS A O   1 ? 
ATOM   1189 C  CB  . CYS A 1 162 ? -3.936  -20.262 24.974  1.000 8.318  0 162 CYS A CB  1 ? 
ATOM   1190 S  SG  . CYS A 1 162 ? -4.351  -18.505 25.177  1.000 9.799  0 162 CYS A SG  1 ? 
ATOM   1191 N  N   . ALA A 1 163 ? -2.374  -22.194 22.930  1.000 8.240  0 163 ALA A N   1 ? 
ATOM   1192 C  CA  . ALA A 1 163 ? -1.501  -23.354 22.907  1.000 8.165  0 163 ALA A CA  1 ? 
ATOM   1193 C  C   . ALA A 1 163 ? -0.054  -22.897 22.976  1.000 7.654  0 163 ALA A C   1 ? 
ATOM   1194 O  O   . ALA A 1 163 ? 0.285   -21.828 22.505  1.000 8.358  0 163 ALA A O   1 ? 
ATOM   1195 C  CB  . ALA A 1 163 ? -1.740  -24.211 21.681  1.000 9.075  0 163 ALA A CB  1 ? 
ATOM   1196 N  N   . GLY A 1 164 ? 0.782   -23.705 23.609  1.000 7.913  0 164 GLY A N   1 ? 
ATOM   1197 C  CA  . GLY A 1 164 ? 2.185   -23.419 23.757  1.000 8.252  0 164 GLY A CA  1 ? 
ATOM   1198 C  C   . GLY A 1 164 ? 2.659   -23.611 25.201  1.000 9.192  0 164 GLY A C   1 ? 
ATOM   1199 O  O   . GLY A 1 164 ? 2.286   -24.567 25.877  1.000 11.000 0 164 GLY A O   1 ? 
ATOM   1200 N  N   . TYR A 1 165 ? 3.565   -22.721 25.614  1.000 10.242 0 165 TYR A N   1 ? 
ATOM   1201 C  CA  . TYR A 1 165 ? 4.289   -22.895 26.861  1.000 11.225 0 165 TYR A CA  1 ? 
ATOM   1202 C  C   . TYR A 1 165 ? 4.311   -21.556 27.571  1.000 11.323 0 165 TYR A C   1 ? 
ATOM   1203 O  O   . TYR A 1 165 ? 4.841   -20.608 27.018  1.000 12.914 0 165 TYR A O   1 ? 
ATOM   1204 C  CB  . TYR A 1 165 ? 5.685   -23.353 26.470  1.000 11.587 0 165 TYR A CB  1 ? 
ATOM   1205 C  CG  . TYR A 1 165 ? 5.716   -24.708 25.765  1.000 12.381 0 165 TYR A CG  1 ? 
ATOM   1206 C  CD1 . TYR A 1 165 ? 5.720   -25.887 26.481  1.000 12.746 0 165 TYR A CD1 1 ? 
ATOM   1207 C  CD2 . TYR A 1 165 ? 5.617   -24.776 24.387  1.000 12.984 0 165 TYR A CD2 1 ? 
ATOM   1208 C  CE1 . TYR A 1 165 ? 5.749   -27.112 25.837  1.000 13.643 0 165 TYR A CE1 1 ? 
ATOM   1209 C  CE2 . TYR A 1 165 ? 5.668   -25.988 23.729  1.000 12.682 0 165 TYR A CE2 1 ? 
ATOM   1210 C  CZ  . TYR A 1 165 ? 5.705   -27.167 24.462  1.000 12.187 0 165 TYR A CZ  1 ? 
ATOM   1211 O  OH  . TYR A 1 165 ? 5.709   -28.398 23.884  1.000 14.198 0 165 TYR A OH  1 ? 
ATOM   1212 N  N   . LEU A 1 166 ? 3.835   -21.529 28.813  1.000 12.484 0 166 LEU A N   1 ? 
ATOM   1213 C  CA  . LEU A 1 166 ? 3.818   -20.276 29.554  1.000 12.445 0 166 LEU A CA  1 ? 
ATOM   1214 C  C   . LEU A 1 166 ? 5.229   -19.816 29.933  1.000 13.509 0 166 LEU A C   1 ? 
ATOM   1215 O  O   . LEU A 1 166 ? 5.444   -18.625 30.146  1.000 14.249 0 166 LEU A O   1 ? 
ATOM   1216 C  CB  . LEU A 1 166 ? 2.947   -20.436 30.780  1.000 13.960 0 166 LEU A CB  1 ? 
ATOM   1217 C  CG  . LEU A 1 166 ? 1.459   -20.630 30.493  1.000 14.877 0 166 LEU A CG  1 ? 
ATOM   1218 C  CD1 . LEU A 1 166 ? 0.757   -20.844 31.797  1.000 18.369 0 166 LEU A CD1 1 ? 
ATOM   1219 C  CD2 . LEU A 1 166 ? 0.819   -19.513 29.737  1.000 15.335 0 166 LEU A CD2 1 ? 
ATOM   1220 N  N   . GLU A 1 167 ? 6.211   -20.716 29.953  1.000 13.867 0 167 GLU A N   1 ? 
ATOM   1221 C  CA  . GLU A 1 167 ? 7.560   -20.300 30.298  1.000 15.563 0 167 GLU A CA  1 ? 
ATOM   1222 C  C   . GLU A 1 167 ? 8.271   -19.510 29.193  1.000 15.886 0 167 GLU A C   1 ? 
ATOM   1223 O  O   . GLU A 1 167 ? 9.335   -18.946 29.436  1.000 18.387 0 167 GLU A O   1 ? 
ATOM   1224 C  CB  . GLU A 1 167 ? 8.403   -21.471 30.798  1.000 18.822 0 167 GLU A CB  1 ? 
ATOM   1225 C  CG  . GLU A 1 167 ? 8.604   -22.603 29.800  1.000 23.732 0 167 GLU A CG  1 ? 
ATOM   1226 C  CD  . GLU A 1 167 ? 7.513   -23.674 29.689  1.000 21.691 0 167 GLU A CD  1 ? 
ATOM   1227 O  OE1 . GLU A 1 167 ? 7.983   -24.755 29.197  1.000 27.551 0 167 GLU A OE1 1 ? 
ATOM   1228 O  OE2 . GLU A 1 167 ? 6.293   -23.548 30.052  1.000 19.605 0 167 GLU A OE2 1 ? 
ATOM   1229 N  N   . GLY A 1 168 ? 7.721   -19.474 27.977  1.000 14.651 0 168 GLY A N   1 ? 
ATOM   1230 C  CA  . GLY A 1 168 ? 8.346   -18.793 26.860  1.000 15.670 0 168 GLY A CA  1 ? 
ATOM   1231 C  C   . GLY A 1 168 ? 9.281   -19.717 26.072  1.000 14.068 0 168 GLY A C   1 ? 
ATOM   1232 O  O   . GLY A 1 168 ? 9.534   -20.851 26.481  1.000 17.233 0 168 GLY A O   1 ? 
ATOM   1233 N  N   . GLY A 1 169 ? 9.733   -19.199 24.937  1.000 12.442 0 169 GLY A N   1 ? 
ATOM   1234 C  CA  . GLY A 1 169 ? 10.806  -19.798 24.142  1.000 11.343 0 169 GLY A CA  1 ? 
ATOM   1235 C  C   . GLY A 1 169 ? 10.335  -20.649 22.967  1.000 10.904 0 169 GLY A C   1 ? 
ATOM   1236 O  O   . GLY A 1 169 ? 11.135  -20.958 22.087  1.000 12.097 0 169 GLY A O   1 ? 
ATOM   1237 N  N   . LYS A 1 170 ? 9.069   -21.072 22.983  1.000 9.899  0 170 LYS A N   1 ? 
ATOM   1238 C  CA  . LYS A 1 170 ? 8.521   -21.944 21.951  1.000 9.193  0 170 LYS A CA  1 ? 
ATOM   1239 C  C   . LYS A 1 170 ? 7.123   -21.424 21.572  1.000 9.141  0 170 LYS A C   1 ? 
ATOM   1240 O  O   . LYS A 1 170 ? 6.177   -21.425 22.380  1.000 10.370 0 170 LYS A O   1 ? 
ATOM   1241 C  CB  . LYS A 1 170 ? 8.382   -23.379 22.464  1.000 11.453 0 170 LYS A CB  1 ? 
ATOM   1242 C  CG  . LYS A 1 170 ? 9.726   -24.058 22.633  1.000 14.315 0 170 LYS A CG  1 ? 
ATOM   1243 C  CD  . LYS A 1 170 ? 9.650   -25.447 23.245  1.000 17.900 0 170 LYS A CD  1 ? 
ATOM   1244 C  CE  . LYS A 1 170 ? 9.325   -25.417 24.702  1.000 27.607 0 170 LYS A CE  1 ? 
ATOM   1245 N  NZ  . LYS A 1 170 ? 9.707   -26.624 25.449  1.000 35.264 0 170 LYS A NZ  1 ? 
ATOM   1246 N  N   . ASP A 1 171 ? 6.946   -21.048 20.301  1.000 7.812  0 171 ASP A N   1 ? 
ATOM   1247 C  CA  . ASP A 1 171 ? 5.678   -20.435 19.896  1.000 7.238  0 171 ASP A CA  1 ? 
ATOM   1248 C  C   . ASP A 1 171 ? 5.638   -20.341 18.368  1.000 7.028  0 171 ASP A C   1 ? 
ATOM   1249 O  O   . ASP A 1 171 ? 6.684   -20.463 17.699  1.000 7.965  0 171 ASP A O   1 ? 
ATOM   1250 C  CB  . ASP A 1 171 ? 5.582   -19.010 20.455  1.000 6.879  0 171 ASP A CB  1 ? 
ATOM   1251 C  CG  . ASP A 1 171 ? 4.216   -18.338 20.490  1.000 6.902  0 171 ASP A CG  1 ? 
ATOM   1252 O  OD1 . ASP A 1 171 ? 3.188   -18.957 20.098  1.000 8.032  0 171 ASP A OD1 1 ? 
ATOM   1253 O  OD2 . ASP A 1 171 ? 4.209   -17.157 20.906  1.000 7.621  0 171 ASP A OD2 1 ? 
ATOM   1254 N  N   . SER A 1 172 ? 4.461   -20.070 17.781  1.000 7.156  0 172 SER A N   1 ? 
ATOM   1255 C  CA  . SER A 1 172 ? 4.419   -19.543 16.424  1.000 7.218  0 172 SER A CA  1 ? 
ATOM   1256 C  C   . SER A 1 172 ? 4.692   -18.035 16.423  1.000 7.346  0 172 SER A C   1 ? 
ATOM   1257 O  O   . SER A 1 172 ? 4.854   -17.431 17.481  1.000 6.960  0 172 SER A O   1 ? 
ATOM   1258 C  CB  . SER A 1 172 ? 3.052   -19.882 15.788  1.000 8.078  0 172 SER A CB  1 ? 
ATOM   1259 O  OG  . SER A 1 172 ? 1.961   -19.391 16.575  1.000 7.559  0 172 SER A OG  1 ? 
ATOM   1260 N  N   . CYS A 1 173 ? 4.784   -17.452 15.227  1.000 6.510  0 173 CYS A N   1 ? 
ATOM   1261 C  CA  . CYS A 1 173 ? 5.217   -16.059 15.115  1.000 7.875  0 173 CYS A CA  1 ? 
ATOM   1262 C  C   . CYS A 1 173 ? 4.756   -15.486 13.776  1.000 8.277  0 173 CYS A C   1 ? 
ATOM   1263 O  O   . CYS A 1 173 ? 4.126   -16.141 12.976  1.000 8.481  0 173 CYS A O   1 ? 
ATOM   1264 C  CB  . CYS A 1 173 ? 6.736   -16.023 15.342  1.000 8.611  0 173 CYS A CB  1 ? 
ATOM   1265 S  SG  . CYS A 1 173 ? 7.423   -14.387 15.739  1.000 9.707  0 173 CYS A SG  1 ? 
ATOM   1266 N  N   . GLN A 1 174 ? 5.101   -14.214 13.542  1.000 10.314 0 174 GLN A N   1 ? 
ATOM   1267 C  CA  . GLN A 1 174 ? 4.826   -13.528 12.296  1.000 11.551 0 174 GLN A CA  1 ? 
ATOM   1268 C  C   . GLN A 1 174 ? 5.229   -14.390 11.104  1.000 9.813  0 174 GLN A C   1 ? 
ATOM   1269 O  O   . GLN A 1 174 ? 6.326   -14.921 11.090  1.000 10.710 0 174 GLN A O   1 ? 
ATOM   1270 C  CB  . GLN A 1 174 ? 5.664   -12.250 12.315  1.000 15.528 0 174 GLN A CB  1 ? 
ATOM   1271 C  CG  . GLN A 1 174 ? 4.851   -11.043 11.882  1.000 28.905 0 174 GLN A CG  1 ? 
ATOM   1272 C  CD  . GLN A 1 174 ? 5.021   -10.718 10.419  1.000 38.571 0 174 GLN A CD  1 ? 
ATOM   1273 O  OE1 . GLN A 1 174 ? 5.897   -11.270 9.735   1.000 50.590 0 174 GLN A OE1 1 ? 
ATOM   1274 N  NE2 . GLN A 1 174 ? 4.197   -9.787  9.945   1.000 42.961 0 174 GLN A NE2 1 ? 
ATOM   1275 N  N   . GLY A 1 175 ? 4.320   -14.526 10.143  1.000 8.282  0 175 GLY A N   1 ? 
ATOM   1276 C  CA  . GLY A 1 175 ? 4.603   -15.315 8.967   1.000 8.043  0 175 GLY A CA  1 ? 
ATOM   1277 C  C   . GLY A 1 175 ? 4.086   -16.747 9.072   1.000 6.824  0 175 GLY A C   1 ? 
ATOM   1278 O  O   . GLY A 1 175 ? 3.928   -17.429 8.049   1.000 7.209  0 175 GLY A O   1 ? 
ATOM   1279 N  N   . ASP A 1 176 ? 3.743   -17.172 10.292  1.000 7.087  0 176 ASP A N   1 ? 
ATOM   1280 C  CA  . ASP A 1 176 ? 3.071   -18.442 10.531  1.000 6.249  0 176 ASP A CA  1 ? 
ATOM   1281 C  C   . ASP A 1 176 ? 1.544   -18.291 10.426  1.000 6.335  0 176 ASP A C   1 ? 
ATOM   1282 O  O   . ASP A 1 176 ? 0.842   -19.314 10.314  1.000 6.240  0 176 ASP A O   1 ? 
ATOM   1283 C  CB  . ASP A 1 176 ? 3.443   -19.079 11.869  1.000 6.585  0 176 ASP A CB  1 ? 
ATOM   1284 C  CG  . ASP A 1 176 ? 4.901   -19.475 11.992  1.000 6.921  0 176 ASP A CG  1 ? 
ATOM   1285 O  OD1 . ASP A 1 176 ? 5.412   -20.016 10.979  1.000 6.743  0 176 ASP A OD1 1 ? 
ATOM   1286 O  OD2 . ASP A 1 176 ? 5.473   -19.219 13.077  1.000 7.734  0 176 ASP A OD2 1 ? 
ATOM   1287 N  N   . SER A 1 177 ? 1.078   -17.056 10.538  1.000 6.459  0 177 SER A N   1 ? 
ATOM   1288 C  CA  . SER A 1 177 ? -0.357  -16.762 10.557  1.000 6.470  0 177 SER A CA  1 ? 
ATOM   1289 C  C   . SER A 1 177 ? -1.101  -17.497 9.473   1.000 6.312  0 177 SER A C   1 ? 
ATOM   1290 O  O   . SER A 1 177 ? -0.658  -17.548 8.335   1.000 6.501  0 177 SER A O   1 ? 
ATOM   1291 C  CB  . SER A 1 177 ? -0.610  -15.301 10.369  1.000 7.808  0 177 SER A CB  1 ? 
ATOM   1292 O  OG  . SER A 1 177 ? -0.207  -14.613 11.545  1.000 10.363 0 177 SER A OG  1 ? 
ATOM   1293 N  N   . GLY A 1 178 ? -2.254  -18.055 9.818   1.000 6.102  0 178 GLY A N   1 ? 
ATOM   1294 C  CA  . GLY A 1 178 ? -3.122  -18.742 8.864   1.000 6.165  0 178 GLY A CA  1 ? 
ATOM   1295 C  C   . GLY A 1 178 ? -2.799  -20.229 8.772   1.000 6.157  0 178 GLY A C   1 ? 
ATOM   1296 O  O   . GLY A 1 178 ? -3.569  -21.025 8.247   1.000 7.050  0 178 GLY A O   1 ? 
ATOM   1297 N  N   . GLY A 1 179 ? -1.647  -20.636 9.286   1.000 6.326  0 179 GLY A N   1 ? 
ATOM   1298 C  CA  . GLY A 1 179 ? -1.267  -22.033 9.200   1.000 6.373  0 179 GLY A CA  1 ? 
ATOM   1299 C  C   . GLY A 1 179 ? -1.912  -22.914 10.259  1.000 6.738  0 179 GLY A C   1 ? 
ATOM   1300 O  O   . GLY A 1 179 ? -2.706  -22.508 11.119  1.000 6.697  0 179 GLY A O   1 ? 
ATOM   1301 N  N   . PRO A 1 180 ? -1.601  -24.217 10.159  1.000 6.815  0 180 PRO A N   1 ? 
ATOM   1302 C  CA  . PRO A 1 180 ? -2.311  -25.250 10.925  1.000 7.038  0 180 PRO A CA  1 ? 
ATOM   1303 C  C   . PRO A 1 180 ? -1.843  -25.465 12.352  1.000 6.968  0 180 PRO A C   1 ? 
ATOM   1304 O  O   . PRO A 1 180 ? -0.667  -25.416 12.653  1.000 6.934  0 180 PRO A O   1 ? 
ATOM   1305 C  CB  . PRO A 1 180 ? -2.079  -26.486 10.109  1.000 7.700  0 180 PRO A CB  1 ? 
ATOM   1306 C  CG  . PRO A 1 180 ? -0.750  -26.241 9.493   1.000 7.396  0 180 PRO A CG  1 ? 
ATOM   1307 C  CD  . PRO A 1 180 ? -0.645  -24.756 9.206   1.000 7.141  0 180 PRO A CD  1 ? 
ATOM   1308 N  N   . VAL A 1 181 ? -2.794  -25.930 13.153  1.000 6.584  0 181 VAL A N   1 ? 
ATOM   1309 C  CA  . VAL A 1 181 ? -2.584  -26.584 14.429  1.000 6.622  0 181 VAL A CA  1 ? 
ATOM   1310 C  C   . VAL A 1 181 ? -3.330  -27.904 14.311  1.000 6.608  0 181 VAL A C   1 ? 
ATOM   1311 O  O   . VAL A 1 181 ? -4.570  -27.871 14.252  1.000 7.669  0 181 VAL A O   1 ? 
ATOM   1312 C  CB  . VAL A 1 181 ? -3.147  -25.787 15.624  1.000 7.011  0 181 VAL A CB  1 ? 
ATOM   1313 C  CG1 . VAL A 1 181 ? -2.903  -26.513 16.948  1.000 7.221  0 181 VAL A CG1 1 ? 
ATOM   1314 C  CG2 . VAL A 1 181 ? -2.628  -24.356 15.593  1.000 7.924  0 181 VAL A CG2 1 ? 
ATOM   1315 N  N   . VAL A 1 182 ? -2.603  -29.007 14.210  1.000 6.542  0 182 VAL A N   1 ? 
ATOM   1316 C  CA  . VAL A 1 182 ? -3.214  -30.318 13.988  1.000 6.782  0 182 VAL A CA  1 ? 
ATOM   1317 C  C   . VAL A 1 182 ? -3.015  -31.187 15.232  1.000 7.318  0 182 VAL A C   1 ? 
ATOM   1318 O  O   . VAL A 1 182 ? -1.928  -31.262 15.744  1.000 7.958  0 182 VAL A O   1 ? 
ATOM   1319 C  CB  . VAL A 1 182 ? -2.631  -30.955 12.722  1.000 7.628  0 182 VAL A CB  1 ? 
ATOM   1320 C  CG1 . VAL A 1 182 ? -2.973  -32.453 12.611  1.000 8.729  0 182 VAL A CG1 1 ? 
ATOM   1321 C  CG2 . VAL A 1 182 ? -3.088  -30.220 11.457  1.000 8.102  0 182 VAL A CG2 1 ? 
ATOM   1322 N  N   . CYS A 1 183 ? -4.089  -31.828 15.727  1.000 7.718  0 183 CYS A N   1 ? 
ATOM   1323 C  CA  . CYS A 1 183 ? -4.061  -32.622 16.944  1.000 8.235  0 183 CYS A CA  1 ? 
ATOM   1324 C  C   . CYS A 1 183 ? -4.759  -33.949 16.603  1.000 8.776  0 183 CYS A C   1 ? 
ATOM   1325 O  O   . CYS A 1 183 ? -5.877  -33.931 16.127  1.000 9.392  0 183 CYS A O   1 ? 
ATOM   1326 C  CB  . CYS A 1 183 ? -4.778  -31.909 18.087  1.000 8.802  0 183 CYS A CB  1 ? 
ATOM   1327 S  SG  . CYS A 1 183 ? -4.589  -30.108 18.101  1.000 9.723  0 183 CYS A SG  1 ? 
ATOM   1328 N  N   . SER A 1 184 ? -4.025  -35.060 16.750  1.000 10.729 0 184 SER A N   1 ? 
ATOM   1329 C  CA  . SER A 1 184 ? -4.567  -36.386 16.445  1.000 11.092 0 184 SER A CA  1 ? 
ATOM   1330 C  C   . SER A 1 184 ? -5.172  -36.452 15.041  1.000 10.262 0 184 SER A C   1 ? 
ATOM   1331 O  O   . SER A 1 184 ? -6.223  -37.041 14.840  1.000 12.161 0 184 SER A O   1 ? 
ATOM   1332 C  CB  . SER A 1 184 ? -5.585  -36.724 17.469  1.000 13.762 0 184 SER A CB  1 ? 
ATOM   1333 O  OG  . SER A 1 184 ? -4.969  -36.716 18.754  1.000 16.576 0 184 SER A OG  1 ? 
ATOM   1334 N  N   . GLY A 1 185 ? -4.530  -35.810 14.059  1.000 10.561 0 185 GLY A N   1 ? 
ATOM   1335 C  CA  . GLY A 1 185 ? -4.866  -35.909 12.660  1.000 10.247 0 185 GLY A CA  1 ? 
ATOM   1336 C  C   . GLY A 1 185 ? -6.063  -35.054 12.272  1.000 10.814 0 185 GLY A C   1 ? 
ATOM   1337 O  O   . GLY A 1 185 ? -6.588  -35.176 11.163  1.000 11.894 0 185 GLY A O   1 ? 
ATOM   1338 N  N   . LYS A 1 186 ? -6.432  -34.089 13.130  1.000 10.204 0 186 LYS A N   1 ? 
ATOM   1339 C  CA  . LYS A 1 186 ? -7.562  -33.202 12.844  1.000 10.366 0 186 LYS A CA  1 ? 
ATOM   1340 C  C   . LYS A 1 186 ? -7.082  -31.749 12.943  1.000 8.623  0 186 LYS A C   1 ? 
ATOM   1341 O  O   . LYS A 1 186 ? -6.293  -31.419 13.816  1.000 8.354  0 186 LYS A O   1 ? 
ATOM   1342 C  CB  . LYS A 1 186 ? -8.734  -33.383 13.822  1.000 12.723 0 186 LYS A CB  1 ? 
ATOM   1343 C  CG  . LYS A 1 186 ? -9.255  -34.800 13.990  1.000 15.634 0 186 LYS A CG  1 ? 
ATOM   1344 C  CD  . LYS A 1 186 ? -9.708  -35.399 12.681  1.000 16.668 0 186 LYS A CD  1 ? 
ATOM   1345 C  CE  . LYS A 1 186 ? -10.443 -36.727 12.981  1.000 21.893 0 186 LYS A CE  1 ? 
ATOM   1346 N  NZ  . LYS A 1 186 ? -10.834 -37.422 11.743  1.000 25.661 0 186 LYS A NZ  1 ? 
ATOM   1347 N  N   . LEU A 1 187 ? -7.593  -30.875 12.071  1.000 7.378  0 187 LEU A N   1 ? 
ATOM   1348 C  CA  . LEU A 1 187 ? -7.293  -29.461 12.075  1.000 7.510  0 187 LEU A CA  1 ? 
ATOM   1349 C  C   . LEU A 1 187 ? -8.092  -28.766 13.167  1.000 7.685  0 187 LEU A C   1 ? 
ATOM   1350 O  O   . LEU A 1 187 ? -9.275  -28.531 12.992  1.000 10.374 0 187 LEU A O   1 ? 
ATOM   1351 C  CB  . LEU A 1 187 ? -7.480  -28.873 10.679  1.000 7.663  0 187 LEU A CB  1 ? 
ATOM   1352 C  CG  . LEU A 1 187 ? -7.206  -27.363 10.607  1.000 8.629  0 187 LEU A CG  1 ? 
ATOM   1353 C  CD1 . LEU A 1 187 ? -5.755  -27.155 10.686  1.000 9.319  0 187 LEU A CD1 1 ? 
ATOM   1354 C  CD2 . LEU A 1 187 ? -7.729  -26.830 9.325   1.000 9.634  0 187 LEU A CD2 1 ? 
ATOM   1355 N  N   . GLN A 1 188 ? -7.448  -28.453 14.273  1.000 7.324  0 188 GLN A N   1 ? 
ATOM   1356 C  CA  . GLN A 1 188 ? -8.141  -27.862 15.392  1.000 7.847  0 188 GLN A CA  1 ? 
ATOM   1357 C  C   . GLN A 1 188 ? -7.940  -26.360 15.528  1.000 7.319  0 188 GLN A C   1 ? 
ATOM   1358 O  O   . GLN A 1 188 ? -8.760  -25.667 16.145  1.000 7.693  0 188 GLN A O   1 ? 
ATOM   1359 C  CB  . GLN A 1 188 ? -7.789  -28.508 16.715  1.000 8.420  0 188 GLN A CB  1 ? 
ATOM   1360 C  CG  . GLN A 1 188 ? -8.269  -29.950 16.896  1.000 9.115  0 188 GLN A CG  1 ? 
ATOM   1361 C  CD  . GLN A 1 188 ? -9.763  -30.121 17.125  1.000 10.957 0 188 GLN A CD  1 ? 
ATOM   1362 O  OE1 . GLN A 1 188 ? -10.643 -29.236 17.040  1.000 12.557 0 188 GLN A OE1 1 ? 
ATOM   1363 N  NE2 . GLN A 1 188 ? -10.141 -31.377 17.302  1.000 10.547 0 188 GLN A NE2 1 ? 
ATOM   1364 N  N   . GLY A 1 189 ? -6.849  -25.845 14.914  1.000 7.425  0 189 GLY A N   1 ? 
ATOM   1365 C  CA  . GLY A 1 189 ? -6.565  -24.440 15.093  1.000 7.545  0 189 GLY A CA  1 ? 
ATOM   1366 C  C   . GLY A 1 189 ? -5.962  -23.813 13.861  1.000 6.661  0 189 GLY A C   1 ? 
ATOM   1367 O  O   . GLY A 1 189 ? -5.408  -24.471 13.004  1.000 7.357  0 189 GLY A O   1 ? 
ATOM   1368 N  N   . ILE A 1 190 ? -6.035  -22.491 13.857  1.000 6.709  0 190 ILE A N   1 ? 
ATOM   1369 C  CA  . ILE A 1 190 ? -5.392  -21.666 12.842  1.000 6.763  0 190 ILE A CA  1 ? 
ATOM   1370 C  C   . ILE A 1 190 ? -4.508  -20.628 13.566  1.000 6.155  0 190 ILE A C   1 ? 
ATOM   1371 O  O   . ILE A 1 190 ? -4.955  -19.975 14.512  1.000 6.925  0 190 ILE A O   1 ? 
ATOM   1372 C  CB  . ILE A 1 190 ? -6.446  -20.923 12.003  1.000 7.801  0 190 ILE A CB  1 ? 
ATOM   1373 C  CG1 . ILE A 1 190 ? -7.387  -21.865 11.289  1.000 9.580  0 190 ILE A CG1 1 ? 
ATOM   1374 C  CG2 . ILE A 1 190 ? -5.765  -19.977 11.010  1.000 7.270  0 190 ILE A CG2 1 ? 
ATOM   1375 C  CD1 . ILE A 1 190 ? -8.642  -21.207 10.815  1.000 10.686 0 190 ILE A CD1 1 ? 
ATOM   1376 N  N   . VAL A 1 191 ? -3.231  -20.494 13.182  1.000 6.370  0 191 VAL A N   1 ? 
ATOM   1377 C  CA  . VAL A 1 191 ? -2.353  -19.508 13.809  1.000 6.176  0 191 VAL A CA  1 ? 
ATOM   1378 C  C   . VAL A 1 191 ? -2.940  -18.107 13.640  1.000 6.475  0 191 VAL A C   1 ? 
ATOM   1379 O  O   . VAL A 1 191 ? -3.171  -17.650 12.537  1.000 6.527  0 191 VAL A O   1 ? 
ATOM   1380 C  CB  . VAL A 1 191 ? -0.971  -19.571 13.148  1.000 6.273  0 191 VAL A CB  1 ? 
ATOM   1381 C  CG1 . VAL A 1 191 ? -0.059  -18.506 13.744  1.000 6.291  0 191 VAL A CG1 1 ? 
ATOM   1382 C  CG2 . VAL A 1 191 ? -0.313  -20.953 13.147  1.000 6.532  0 191 VAL A CG2 1 ? 
ATOM   1383 N  N   . SER A 1 192 ? -3.258  -17.439 14.767  1.000 6.107  0 192 SER A N   1 ? 
ATOM   1384 C  CA  . SER A 1 192 ? -3.973  -16.187 14.740  1.000 6.263  0 192 SER A CA  1 ? 
ATOM   1385 C  C   . SER A 1 192 ? -3.142  -15.024 15.297  1.000 6.717  0 192 SER A C   1 ? 
ATOM   1386 O  O   . SER A 1 192 ? -2.797  -14.098 14.573  1.000 8.179  0 192 SER A O   1 ? 
ATOM   1387 C  CB  . SER A 1 192 ? -5.360  -16.370 15.359  1.000 6.753  0 192 SER A CB  1 ? 
ATOM   1388 O  OG  . SER A 1 192 ? -6.098  -15.149 15.263  1.000 6.761  0 192 SER A OG  1 ? 
ATOM   1389 N  N   . TRP A 1 193 ? -2.841  -15.033 16.594  1.000 6.764  0 193 TRP A N   1 ? 
ATOM   1390 C  CA  . TRP A 1 193 ? -2.234  -13.854 17.200  1.000 6.701  0 193 TRP A CA  1 ? 
ATOM   1391 C  C   . TRP A 1 193 ? -1.540  -14.192 18.521  1.000 7.198  0 193 TRP A C   1 ? 
ATOM   1392 O  O   . TRP A 1 193 ? -1.548  -15.324 18.946  1.000 7.544  0 193 TRP A O   1 ? 
ATOM   1393 C  CB  . TRP A 1 193 ? -3.268  -12.728 17.367  1.000 6.530  0 193 TRP A CB  1 ? 
ATOM   1394 C  CG  . TRP A 1 193 ? -4.360  -12.937 18.375  1.000 6.822  0 193 TRP A CG  1 ? 
ATOM   1395 C  CD1 . TRP A 1 193 ? -5.565  -13.529 18.128  1.000 6.891  0 193 TRP A CD1 1 ? 
ATOM   1396 C  CD2 . TRP A 1 193 ? -4.399  -12.534 19.760  1.000 7.520  0 193 TRP A CD2 1 ? 
ATOM   1397 N  NE1 . TRP A 1 193 ? -6.337  -13.546 19.263  1.000 7.581  0 193 TRP A NE1 1 ? 
ATOM   1398 C  CE2 . TRP A 1 193 ? -5.666  -12.909 20.263  1.000 8.009  0 193 TRP A CE2 1 ? 
ATOM   1399 C  CE3 . TRP A 1 193 ? -3.525  -11.829 20.591  1.000 8.740  0 193 TRP A CE3 1 ? 
ATOM   1400 C  CZ2 . TRP A 1 193 ? -6.050  -12.657 21.576  1.000 8.552  0 193 TRP A CZ2 1 ? 
ATOM   1401 C  CZ3 . TRP A 1 193 ? -3.900  -11.606 21.892  1.000 9.610  0 193 TRP A CZ3 1 ? 
ATOM   1402 C  CH2 . TRP A 1 193 ? -5.151  -11.989 22.360  1.000 8.911  0 193 TRP A CH2 1 ? 
ATOM   1403 N  N   . GLY A 1 194 ? -0.821  -13.188 19.051  1.000 8.029  0 194 GLY A N   1 ? 
ATOM   1404 C  CA  . GLY A 1 194 ? -0.131  -13.336 20.330  1.000 9.139  0 194 GLY A CA  1 ? 
ATOM   1405 C  C   . GLY A 1 194 ? 0.626   -12.041 20.598  1.000 9.646  0 194 GLY A C   1 ? 
ATOM   1406 O  O   . GLY A 1 194 ? 0.743   -11.237 19.685  1.000 11.944 0 194 GLY A O   1 ? 
ATOM   1407 N  N   . SER A 1 195 ? 1.055   -11.820 21.841  1.000 9.432  0 195 SER A N   1 ? 
ATOM   1408 C  CA  . SER A 1 195 ? 1.841   -10.638 22.168  1.000 10.442 0 195 SER A CA  1 ? 
ATOM   1409 C  C   . SER A 1 195 ? 3.299   -10.938 21.908  1.000 10.276 0 195 SER A C   1 ? 
ATOM   1410 O  O   . SER A 1 195 ? 3.885   -11.743 22.634  1.000 10.962 0 195 SER A O   1 ? 
ATOM   1411 C  CB  . SER A 1 195 ? 1.614   -10.249 23.584  1.000 13.159 0 195 SER A CB  1 ? 
ATOM   1412 O  OG  . SER A 1 195 ? 2.525   -9.208  23.881  1.000 18.603 0 195 SER A OG  1 ? 
ATOM   1413 N  N   . GLY A 1 196 ? 3.870   -10.364 20.864  1.000 8.643  0 196 GLY A N   1 ? 
ATOM   1414 C  CA  . GLY A 1 196 ? 5.220   -10.750 20.499  1.000 9.331  0 196 GLY A CA  1 ? 
ATOM   1415 C  C   . GLY A 1 196 ? 5.210   -12.231 20.098  1.000 9.414  0 196 GLY A C   1 ? 
ATOM   1416 O  O   . GLY A 1 196 ? 4.167   -12.701 19.607  1.000 9.728  0 196 GLY A O   1 ? 
ATOM   1417 N  N   . CYS A 1 197 ? 6.330   -12.910 20.309  1.000 9.670  0 197 CYS A N   1 ? 
ATOM   1418 C  CA  . CYS A 1 197 ? 6.413   -14.338 20.052  1.000 9.579  0 197 CYS A CA  1 ? 
ATOM   1419 C  C   . CYS A 1 197 ? 7.277   -14.935 21.137  1.000 9.972  0 197 CYS A C   1 ? 
ATOM   1420 O  O   . CYS A 1 197 ? 8.370   -14.447 21.439  1.000 9.775  0 197 CYS A O   1 ? 
ATOM   1421 C  CB  . CYS A 1 197 ? 7.046   -14.667 18.714  1.000 9.734  0 197 CYS A CB  1 ? 
ATOM   1422 S  SG  . CYS A 1 197 ? 6.315   -13.775 17.311  1.000 9.797  0 197 CYS A SG  1 ? 
ATOM   1423 N  N   . ALA A 1 198 ? 6.834   -16.074 21.651  1.000 10.428 0 198 ALA A N   1 ? 
ATOM   1424 C  CA  . ALA A 1 198 ? 7.602   -16.893 22.572  1.000 10.052 0 198 ALA A CA  1 ? 
ATOM   1425 C  C   . ALA A 1 198 ? 7.896   -16.125 23.865  1.000 10.566 0 198 ALA A C   1 ? 
ATOM   1426 O  O   . ALA A 1 198 ? 8.852   -16.463 24.590  1.000 11.375 0 198 ALA A O   1 ? 
ATOM   1427 C  CB  . ALA A 1 198 ? 8.850   -17.439 21.915  1.000 10.277 0 198 ALA A CB  1 ? 
ATOM   1428 N  N   . GLN A 1 199 ? 7.012   -15.191 24.252  1.000 10.445 0 199 GLN A N   1 ? 
ATOM   1429 C  CA  . GLN A 1 199 ? 7.280   -14.447 25.462  1.000 11.582 0 199 GLN A CA  1 ? 
ATOM   1430 C  C   . GLN A 1 199 ? 6.663   -15.173 26.636  1.000 11.625 0 199 GLN A C   1 ? 
ATOM   1431 O  O   . GLN A 1 199 ? 5.612   -15.810 26.549  1.000 11.005 0 199 GLN A O   1 ? 
ATOM   1432 C  CB  . GLN A 1 199 ? 6.702   -13.044 25.382  1.000 12.120 0 199 GLN A CB  1 ? 
ATOM   1433 C  CG  . GLN A 1 199 ? 7.215   -12.233 24.191  1.000 12.285 0 199 GLN A CG  1 ? 
ATOM   1434 C  CD  . GLN A 1 199 ? 8.689   -11.953 24.264  1.000 14.104 0 199 GLN A CD  1 ? 
ATOM   1435 O  OE1 . GLN A 1 199 ? 9.140   -11.289 25.198  1.000 17.329 0 199 GLN A OE1 1 ? 
ATOM   1436 N  NE2 . GLN A 1 199 ? 9.468   -12.460 23.315  1.000 15.577 0 199 GLN A NE2 1 ? 
ATOM   1437 N  N   . LYS A 1 200 ? 7.274   -14.958 27.804  1.000 11.876 0 200 LYS A N   1 ? 
ATOM   1438 C  CA  . LYS A 1 200 ? 6.759   -15.585 29.015  1.000 12.185 0 200 LYS A CA  1 ? 
ATOM   1439 C  C   . LYS A 1 200 ? 5.337   -15.096 29.306  1.000 12.016 0 200 LYS A C   1 ? 
ATOM   1440 O  O   . LYS A 1 200 ? 5.050   -13.907 29.132  1.000 13.094 0 200 LYS A O   1 ? 
ATOM   1441 C  CB  . LYS A 1 200 ? 7.676   -15.211 30.178  1.000 13.981 0 200 LYS A CB  1 ? 
ATOM   1442 C  CG  . LYS A 1 200 ? 7.383   -15.890 31.473  1.000 18.382 0 200 LYS A CG  1 ? 
ATOM   1443 C  CD  . LYS A 1 200 ? 8.357   -15.502 32.592  1.000 22.676 0 200 LYS A CD  1 ? 
ATOM   1444 C  CE  . LYS A 1 200 ? 7.793   -15.781 33.951  1.000 27.367 0 200 LYS A CE  1 ? 
ATOM   1445 N  NZ  . LYS A 1 200 ? 7.465   -17.187 34.139  1.000 35.710 0 200 LYS A NZ  1 ? 
ATOM   1446 N  N   . ASN A 1 201 ? 4.449   -16.037 29.676  1.000 10.088 0 201 ASN A N   1 ? 
ATOM   1447 C  CA  . ASN A 1 201 ? 3.075   -15.756 30.033  1.000 12.595 0 201 ASN A CA  1 ? 
ATOM   1448 C  C   . ASN A 1 201 ? 2.250   -15.211 28.876  1.000 12.566 0 201 ASN A C   1 ? 
ATOM   1449 O  O   . ASN A 1 201 ? 1.169   -14.693 29.109  1.000 13.734 0 201 ASN A O   1 ? 
ATOM   1450 C  CB  . ASN A 1 201 ? 3.008   -14.863 31.269  1.000 14.580 0 201 ASN A CB  1 ? 
ATOM   1451 C  CG  . ASN A 1 201 ? 3.463   -15.620 32.497  1.000 19.424 0 201 ASN A CG  1 ? 
ATOM   1452 O  OD1 . ASN A 1 201 ? 4.122   -15.048 33.380  1.000 27.083 0 201 ASN A OD1 1 ? 
ATOM   1453 N  ND2 . ASN A 1 201 ? 3.056   -16.869 32.591  1.000 21.635 0 201 ASN A ND2 1 ? 
ATOM   1454 N  N   . LYS A 1 202 ? 2.723   -15.338 27.640  1.000 11.088 0 202 LYS A N   1 ? 
ATOM   1455 C  CA  . LYS A 1 202 ? 2.019   -14.837 26.475  1.000 11.897 0 202 LYS A CA  1 ? 
ATOM   1456 C  C   . LYS A 1 202 ? 2.007   -15.901 25.388  1.000 10.763 0 202 LYS A C   1 ? 
ATOM   1457 O  O   . LYS A 1 202 ? 2.724   -15.837 24.371  1.000 9.405  0 202 LYS A O   1 ? 
ATOM   1458 C  CB  . LYS A 1 202 ? 2.684   -13.572 25.954  1.000 11.843 0 202 LYS A CB  1 ? 
ATOM   1459 C  CG  . LYS A 1 202 ? 2.530   -12.433 26.972  1.000 12.844 0 202 LYS A CG  1 ? 
ATOM   1460 C  CD  . LYS A 1 202 ? 1.097   -11.949 27.127  1.000 14.537 0 202 LYS A CD  1 ? 
ATOM   1461 C  CE  . LYS A 1 202 ? 0.920   -10.832 28.110  1.000 14.654 0 202 LYS A CE  1 ? 
ATOM   1462 N  NZ  . LYS A 1 202 ? -0.484  -10.396 28.290  1.000 14.406 0 202 LYS A NZ  1 ? 
ATOM   1463 N  N   . PRO A 1 203 ? 1.186   -16.942 25.567  1.000 9.738  0 203 PRO A N   1 ? 
ATOM   1464 C  CA  . PRO A 1 203 ? 1.185   -18.066 24.613  1.000 9.309  0 203 PRO A CA  1 ? 
ATOM   1465 C  C   . PRO A 1 203 ? 0.519   -17.659 23.309  1.000 8.300  0 203 PRO A C   1 ? 
ATOM   1466 O  O   . PRO A 1 203 ? -0.106  -16.595 23.170  1.000 8.872  0 203 PRO A O   1 ? 
ATOM   1467 C  CB  . PRO A 1 203 ? 0.391   -19.127 25.342  1.000 10.138 0 203 PRO A CB  1 ? 
ATOM   1468 C  CG  . PRO A 1 203 ? -0.539  -18.333 26.190  1.000 10.770 0 203 PRO A CG  1 ? 
ATOM   1469 C  CD  . PRO A 1 203 ? 0.296   -17.204 26.696  1.000 9.891  0 203 PRO A CD  1 ? 
ATOM   1470 N  N   . GLY A 1 204 ? 0.677   -18.522 22.301  1.000 8.127  0 204 GLY A N   1 ? 
ATOM   1471 C  CA  . GLY A 1 204 ? -0.035  -18.323 21.058  1.000 6.981  0 204 GLY A CA  1 ? 
ATOM   1472 C  C   . GLY A 1 204 ? -1.537  -18.462 21.209  1.000 8.226  0 204 GLY A C   1 ? 
ATOM   1473 O  O   . GLY A 1 204 ? -2.028  -19.292 21.968  1.000 8.529  0 204 GLY A O   1 ? 
ATOM   1474 N  N   . VAL A 1 205 ? -2.248  -17.667 20.403  1.000 6.691  0 205 VAL A N   1 ? 
ATOM   1475 C  CA  . VAL A 1 205 ? -3.694  -17.685 20.364  1.000 6.724  0 205 VAL A CA  1 ? 
ATOM   1476 C  C   . VAL A 1 205 ? -4.113  -18.123 18.973  1.000 7.191  0 205 VAL A C   1 ? 
ATOM   1477 O  O   . VAL A 1 205 ? -3.606  -17.648 17.956  1.000 7.426  0 205 VAL A O   1 ? 
ATOM   1478 C  CB  . VAL A 1 205 ? -4.329  -16.332 20.760  1.000 7.098  0 205 VAL A CB  1 ? 
ATOM   1479 C  CG1 . VAL A 1 205 ? -5.846  -16.487 20.874  1.000 7.847  0 205 VAL A CG1 1 ? 
ATOM   1480 C  CG2 . VAL A 1 205 ? -3.752  -15.845 22.059  1.000 7.798  0 205 VAL A CG2 1 ? 
ATOM   1481 N  N   . TYR A 1 206 ? -5.054  -19.092 18.943  1.000 6.453  0 206 TYR A N   1 ? 
ATOM   1482 C  CA  . TYR A 1 206 ? -5.408  -19.780 17.718  1.000 6.205  0 206 TYR A CA  1 ? 
ATOM   1483 C  C   . TYR A 1 206 ? -6.922  -19.742 17.508  1.000 6.483  0 206 TYR A C   1 ? 
ATOM   1484 O  O   . TYR A 1 206 ? -7.695  -19.853 18.449  1.000 8.182  0 206 TYR A O   1 ? 
ATOM   1485 C  CB  . TYR A 1 206 ? -4.937  -21.241 17.832  1.000 6.645  0 206 TYR A CB  1 ? 
ATOM   1486 C  CG  . TYR A 1 206 ? -3.433  -21.268 18.002  1.000 6.660  0 206 TYR A CG  1 ? 
ATOM   1487 C  CD1 . TYR A 1 206 ? -2.611  -21.291 16.875  1.000 6.911  0 206 TYR A CD1 1 ? 
ATOM   1488 C  CD2 . TYR A 1 206 ? -2.814  -21.309 19.256  1.000 6.407  0 206 TYR A CD2 1 ? 
ATOM   1489 C  CE1 . TYR A 1 206 ? -1.253  -21.297 16.945  1.000 7.263  0 206 TYR A CE1 1 ? 
ATOM   1490 C  CE2 . TYR A 1 206 ? -1.427  -21.275 19.346  1.000 6.658  0 206 TYR A CE2 1 ? 
ATOM   1491 C  CZ  . TYR A 1 206 ? -0.653  -21.290 18.195  1.000 6.894  0 206 TYR A CZ  1 ? 
ATOM   1492 O  OH  . TYR A 1 206 ? 0.734   -21.212 18.269  1.000 7.460  0 206 TYR A OH  1 ? 
ATOM   1493 N  N   . THR A 1 207 ? -7.336  -19.697 16.253  1.000 6.147  0 207 THR A N   1 ? 
ATOM   1494 C  CA  . THR A 1 207 ? -8.746  -19.777 15.941  1.000 6.336  0 207 THR A CA  1 ? 
ATOM   1495 C  C   . THR A 1 207 ? -9.247  -21.187 16.188  1.000 6.767  0 207 THR A C   1 ? 
ATOM   1496 O  O   . THR A 1 207 ? -8.634  -22.131 15.764  1.000 7.330  0 207 THR A O   1 ? 
ATOM   1497 C  CB  . THR A 1 207 ? -9.021  -19.421 14.482  1.000 6.557  0 207 THR A CB  1 ? 
ATOM   1498 O  OG1 . THR A 1 207 ? -8.347  -18.184 14.223  1.000 6.375  0 207 THR A OG1 1 ? 
ATOM   1499 C  CG2 . THR A 1 207 ? -10.513 -19.378 14.234  1.000 7.194  0 207 THR A CG2 1 ? 
ATOM   1500 N  N   . LYS A 1 208 ? -10.392 -21.291 16.861  1.000 7.088  0 208 LYS A N   1 ? 
ATOM   1501 C  CA  . LYS A 1 208 ? -10.970 -22.575 17.254  1.000 7.956  0 208 LYS A CA  1 ? 
ATOM   1502 C  C   . LYS A 1 208 ? -11.806 -23.190 16.119  1.000 7.860  0 208 LYS A C   1 ? 
ATOM   1503 O  O   . LYS A 1 208 ? -12.999 -22.973 16.001  1.000 7.817  0 208 LYS A O   1 ? 
ATOM   1504 C  CB  . LYS A 1 208 ? -11.694 -22.379 18.579  1.000 8.987  0 208 LYS A CB  1 ? 
ATOM   1505 C  CG  . LYS A 1 208 ? -12.255 -23.694 19.186  1.000 11.474 0 208 LYS A CG  1 ? 
ATOM   1506 C  CD  . LYS A 1 208 ? -12.851 -23.449 20.572  1.000 13.020 0 208 LYS A CD  1 ? 
ATOM   1507 C  CE  . LYS A 1 208 ? -13.271 -24.754 21.208  1.000 17.515 0 208 LYS A CE  1 ? 
ATOM   1508 N  NZ  . LYS A 1 208 ? -13.698 -24.599 22.607  1.000 21.795 0 208 LYS A NZ  1 ? 
ATOM   1509 N  N   . VAL A 1 209 ? -11.168 -24.010 15.297  1.000 7.468  0 209 VAL A N   1 ? 
ATOM   1510 C  CA  . VAL A 1 209 ? -11.750 -24.477 14.039  1.000 7.523  0 209 VAL A CA  1 ? 
ATOM   1511 C  C   . VAL A 1 209 ? -13.037 -25.265 14.268  1.000 7.983  0 209 VAL A C   1 ? 
ATOM   1512 O  O   . VAL A 1 209 ? -13.948 -25.249 13.447  1.000 7.560  0 209 VAL A O   1 ? 
ATOM   1513 C  CB  . VAL A 1 209 ? -10.716 -25.304 13.265  1.000 8.309  0 209 VAL A CB  1 ? 
ATOM   1514 C  CG1 . VAL A 1 209 ? -11.322 -26.008 12.069  1.000 7.990  0 209 VAL A CG1 1 ? 
ATOM   1515 C  CG2 . VAL A 1 209 ? -9.553  -24.431 12.827  1.000 8.735  0 209 VAL A CG2 1 ? 
ATOM   1516 N  N   . CYS A 1 210 ? -13.107 -26.038 15.352  1.000 8.228  0 210 CYS A N   1 ? 
ATOM   1517 C  CA  . CYS A 1 210 ? -14.281 -26.884 15.556  1.000 8.973  0 210 CYS A CA  1 ? 
ATOM   1518 C  C   . CYS A 1 210 ? -15.563 -26.075 15.609  1.000 9.989  0 210 CYS A C   1 ? 
ATOM   1519 O  O   . CYS A 1 210 ? -16.639 -26.607 15.340  1.000 12.323 0 210 CYS A O   1 ? 
ATOM   1520 C  CB  . CYS A 1 210 ? -14.114 -27.712 16.814  1.000 8.792  0 210 CYS A CB  1 ? 
ATOM   1521 S  SG  . CYS A 1 210 ? -14.007 -26.775 18.349  1.000 10.311 0 210 CYS A SG  1 ? 
ATOM   1522 N  N   . ASN A 1 211 ? -15.508 -24.781 15.943  1.000 9.046  0 211 ASN A N   1 ? 
ATOM   1523 C  CA  . ASN A 1 211 ? -16.686 -23.945 15.935  1.000 9.461  0 211 ASN A CA  1 ? 
ATOM   1524 C  C   . ASN A 1 211 ? -17.197 -23.582 14.533  1.000 9.343  0 211 ASN A C   1 ? 
ATOM   1525 O  O   . ASN A 1 211 ? -18.330 -23.083 14.407  1.000 11.679 0 211 ASN A O   1 ? 
ATOM   1526 C  CB  . ASN A 1 211 ? -16.456 -22.633 16.679  1.000 8.904  0 211 ASN A CB  1 ? 
ATOM   1527 C  CG  . ASN A 1 211 ? -16.286 -22.785 18.173  1.000 9.692  0 211 ASN A CG  1 ? 
ATOM   1528 O  OD1 . ASN A 1 211 ? -16.308 -23.904 18.705  1.000 11.965 0 211 ASN A OD1 1 ? 
ATOM   1529 N  ND2 . ASN A 1 211 ? -16.005 -21.678 18.840  1.000 9.987  0 211 ASN A ND2 1 ? 
ATOM   1530 N  N   . TYR A 1 212 ? -16.394 -23.836 13.496  1.000 8.360  0 212 TYR A N   1 ? 
ATOM   1531 C  CA  . TYR A 1 212 ? -16.672 -23.368 12.157  1.000 7.728  0 212 TYR A CA  1 ? 
ATOM   1532 C  C   . TYR A 1 212 ? -16.962 -24.480 11.156  1.000 8.427  0 212 TYR A C   1 ? 
ATOM   1533 O  O   . TYR A 1 212 ? -17.040 -24.178 9.960   1.000 9.519  0 212 TYR A O   1 ? 
ATOM   1534 C  CB  . TYR A 1 212 ? -15.425 -22.590 11.674  1.000 7.471  0 212 TYR A CB  1 ? 
ATOM   1535 C  CG  . TYR A 1 212 ? -15.204 -21.355 12.550  1.000 7.715  0 212 TYR A CG  1 ? 
ATOM   1536 C  CD1 . TYR A 1 212 ? -15.987 -20.203 12.390  1.000 8.079  0 212 TYR A CD1 1 ? 
ATOM   1537 C  CD2 . TYR A 1 212 ? -14.295 -21.369 13.603  1.000 7.883  0 212 TYR A CD2 1 ? 
ATOM   1538 C  CE1 . TYR A 1 212 ? -15.829 -19.086 13.186  1.000 8.161  0 212 TYR A CE1 1 ? 
ATOM   1539 C  CE2 . TYR A 1 212 ? -14.133 -20.255 14.403  1.000 8.155  0 212 TYR A CE2 1 ? 
ATOM   1540 C  CZ  . TYR A 1 212 ? -14.892 -19.120 14.192  1.000 8.458  0 212 TYR A CZ  1 ? 
ATOM   1541 O  OH  . TYR A 1 212 ? -14.756 -18.032 15.025  1.000 9.203  0 212 TYR A OH  1 ? 
ATOM   1542 N  N   . VAL A 1 213 ? -17.023 -25.734 11.599  1.000 9.332  0 213 VAL A N   1 ? 
ATOM   1543 C  CA  . VAL A 1 213 ? -17.162 -26.835 10.660  1.000 10.546 0 213 VAL A CA  1 ? 
ATOM   1544 C  C   . VAL A 1 213 ? -18.453 -26.683 9.857   1.000 9.639  0 213 VAL A C   1 ? 
ATOM   1545 O  O   . VAL A 1 213 ? -18.435 -26.935 8.650   1.000 10.746 0 213 VAL A O   1 ? 
ATOM   1546 C  CB  . VAL A 1 213 ? -17.056 -28.198 11.359  1.000 11.120 0 213 VAL A CB  1 ? 
ATOM   1547 C  CG1 . VAL A 1 213 ? -17.372 -29.340 10.413  1.000 13.656 0 213 VAL A CG1 1 ? 
ATOM   1548 C  CG2 . VAL A 1 213 ? -15.648 -28.364 11.939  1.000 11.302 0 213 VAL A CG2 1 ? 
ATOM   1549 N  N   . SER A 1 214 ? -19.559 -26.273 10.472  1.000 10.444 0 214 SER A N   1 ? 
ATOM   1550 C  CA  . SER A 1 214 ? -20.812 -26.101 9.749   1.000 11.629 0 214 SER A CA  1 ? 
ATOM   1551 C  C   . SER A 1 214 ? -20.671 -25.070 8.648   1.000 10.685 0 214 SER A C   1 ? 
ATOM   1552 O  O   . SER A 1 214 ? -21.089 -25.276 7.507   1.000 11.410 0 214 SER A O   1 ? 
ATOM   1553 C  CB  . SER A 1 214 ? -21.886 -25.696 10.732  1.000 14.926 0 214 SER A CB  1 ? 
ATOM   1554 O  OG  . SER A 1 214 ? -22.311 -26.864 11.402  1.000 22.154 0 214 SER A OG  1 ? 
ATOM   1555 N  N   . TRP A 1 215 ? -20.079 -23.929 8.989   1.000 9.320  0 215 TRP A N   1 ? 
ATOM   1556 C  CA  . TRP A 1 215 ? -19.894 -22.861 8.031   1.000 9.354  0 215 TRP A CA  1 ? 
ATOM   1557 C  C   . TRP A 1 215 ? -18.958 -23.299 6.915   1.000 8.573  0 215 TRP A C   1 ? 
ATOM   1558 O  O   . TRP A 1 215 ? -19.185 -23.043 5.740   1.000 7.637  0 215 TRP A O   1 ? 
ATOM   1559 C  CB  . TRP A 1 215 ? -19.377 -21.599 8.740   1.000 9.527  0 215 TRP A CB  1 ? 
ATOM   1560 C  CG  . TRP A 1 215 ? -18.966 -20.529 7.768   1.000 8.267  0 215 TRP A CG  1 ? 
ATOM   1561 C  CD1 . TRP A 1 215 ? -19.760 -19.695 7.037   1.000 8.581  0 215 TRP A CD1 1 ? 
ATOM   1562 C  CD2 . TRP A 1 215 ? -17.620 -20.156 7.416   1.000 7.575  0 215 TRP A CD2 1 ? 
ATOM   1563 N  NE1 . TRP A 1 215 ? -19.011 -18.826 6.307   1.000 8.640  0 215 TRP A NE1 1 ? 
ATOM   1564 C  CE2 . TRP A 1 215 ? -17.677 -19.080 6.504   1.000 8.282  0 215 TRP A CE2 1 ? 
ATOM   1565 C  CE3 . TRP A 1 215 ? -16.368 -20.599 7.832   1.000 8.178  0 215 TRP A CE3 1 ? 
ATOM   1566 C  CZ2 . TRP A 1 215 ? -16.532 -18.479 5.978   1.000 8.736  0 215 TRP A CZ2 1 ? 
ATOM   1567 C  CZ3 . TRP A 1 215 ? -15.235 -20.033 7.294   1.000 8.602  0 215 TRP A CZ3 1 ? 
ATOM   1568 C  CH2 . TRP A 1 215 ? -15.309 -18.968 6.403   1.000 9.194  0 215 TRP A CH2 1 ? 
ATOM   1569 N  N   . ILE A 1 216 ? -17.872 -23.995 7.245   1.000 8.265  0 216 ILE A N   1 ? 
ATOM   1570 C  CA  . ILE A 1 216 ? -16.969 -24.430 6.206   1.000 8.300  0 216 ILE A CA  1 ? 
ATOM   1571 C  C   . ILE A 1 216 ? -17.702 -25.359 5.245   1.000 8.877  0 216 ILE A C   1 ? 
ATOM   1572 O  O   . ILE A 1 216 ? -17.582 -25.206 4.043   1.000 8.468  0 216 ILE A O   1 ? 
ATOM   1573 C  CB  . ILE A 1 216 ? -15.722 -25.084 6.811   1.000 9.155  0 216 ILE A CB  1 ? 
ATOM   1574 C  CG1 . ILE A 1 216 ? -14.941 -24.059 7.582   1.000 9.966  0 216 ILE A CG1 1 ? 
ATOM   1575 C  CG2 . ILE A 1 216 ? -14.884 -25.779 5.741   1.000 9.336  0 216 ILE A CG2 1 ? 
ATOM   1576 C  CD1 . ILE A 1 216 ? -13.857 -24.666 8.465   1.000 11.522 0 216 ILE A CD1 1 ? 
ATOM   1577 N  N   . LYS A 1 217 ? -18.404 -26.351 5.784   1.000 9.880  0 217 LYS A N   1 ? 
ATOM   1578 C  CA  . LYS A 1 217 ? -19.007 -27.354 4.909   1.000 11.611 0 217 LYS A CA  1 ? 
ATOM   1579 C  C   . LYS A 1 217 ? -20.090 -26.738 4.039   1.000 11.355 0 217 LYS A C   1 ? 
ATOM   1580 O  O   . LYS A 1 217 ? -20.162 -27.054 2.849   1.000 11.375 0 217 LYS A O   1 ? 
ATOM   1581 C  CB  . LYS A 1 217 ? -19.560 -28.513 5.739   1.000 13.307 0 217 LYS A CB  1 ? 
ATOM   1582 C  CG  . LYS A 1 217 ? -18.457 -29.371 6.333   1.000 16.665 0 217 LYS A CG  1 ? 
ATOM   1583 C  CD  . LYS A 1 217 ? -19.084 -30.425 7.252   1.000 23.013 0 217 LYS A CD  1 ? 
ATOM   1584 C  CE  . LYS A 1 217 ? -18.171 -31.521 7.691   1.000 29.796 0 217 LYS A CE  1 ? 
ATOM   1585 N  NZ  . LYS A 1 217 ? -17.711 -32.243 6.506   1.000 34.954 0 217 LYS A NZ  1 ? 
ATOM   1586 N  N   . GLN A 1 218 ? -20.894 -25.835 4.595   1.000 10.282 0 218 GLN A N   1 ? 
ATOM   1587 C  CA  . GLN A 1 218 ? -21.981 -25.258 3.814   1.000 12.062 0 218 GLN A CA  1 ? 
ATOM   1588 C  C   . GLN A 1 218 ? -21.391 -24.363 2.738   1.000 11.195 0 218 GLN A C   1 ? 
ATOM   1589 O  O   . GLN A 1 218 ? -21.930 -24.217 1.632   1.000 11.493 0 218 GLN A O   1 ? 
ATOM   1590 C  CB  . GLN A 1 218 ? -23.029 -24.625 4.737   1.000 16.402 0 218 GLN A CB  1 ? 
ATOM   1591 C  CG  . GLN A 1 218 ? -22.681 -23.263 5.304   1.000 22.744 0 218 GLN A CG  1 ? 
ATOM   1592 C  CD  . GLN A 1 218 ? -23.090 -22.086 4.430   1.000 30.960 0 218 GLN A CD  1 ? 
ATOM   1593 O  OE1 . GLN A 1 218 ? -23.724 -22.243 3.365   1.000 37.392 0 218 GLN A OE1 1 ? 
ATOM   1594 N  NE2 . GLN A 1 218 ? -22.675 -20.892 4.855   1.000 26.846 0 218 GLN A NE2 1 ? 
ATOM   1595 N  N   . THR A 1 219 ? -20.336 -23.625 3.095   1.000 10.369 0 219 THR A N   1 ? 
ATOM   1596 C  CA  . THR A 1 219 ? -19.739 -22.671 2.178   1.000 9.811  0 219 THR A CA  1 ? 
ATOM   1597 C  C   . THR A 1 219 ? -19.163 -23.456 1.000   1.000 10.776 0 219 THR A C   1 ? 
ATOM   1598 O  O   . THR A 1 219 ? -19.351 -23.097 -0.170  1.000 10.714 0 219 THR A O   1 ? 
ATOM   1599 C  CB  . THR A 1 219 ? -18.688 -21.781 2.864   1.000 9.566  0 219 THR A CB  1 ? 
ATOM   1600 O  OG1 . THR A 1 219 ? -19.335 -21.058 3.915   1.000 9.844  0 219 THR A OG1 1 ? 
ATOM   1601 C  CG2 . THR A 1 219 ? -17.985 -20.896 1.842   1.000 10.412 0 219 THR A CG2 1 ? 
ATOM   1602 N  N   . ILE A 1 220 ? -18.401 -24.534 1.280   1.000 9.779  0 220 ILE A N   1 ? 
ATOM   1603 C  CA  . ILE A 1 220 ? -17.847 -25.344 0.217   1.000 10.260 0 220 ILE A CA  1 ? 
ATOM   1604 C  C   . ILE A 1 220 ? -18.950 -25.899 -0.673  1.000 10.498 0 220 ILE A C   1 ? 
ATOM   1605 O  O   . ILE A 1 220 ? -18.767 -25.934 -1.877  1.000 13.307 0 220 ILE A O   1 ? 
ATOM   1606 C  CB  . ILE A 1 220 ? -16.933 -26.422 0.794   1.000 12.236 0 220 ILE A CB  1 ? 
ATOM   1607 C  CG1 . ILE A 1 220 ? -15.704 -25.735 1.360   1.000 13.543 0 220 ILE A CG1 1 ? 
ATOM   1608 C  CG2 . ILE A 1 220 ? -16.597 -27.495 -0.247  1.000 13.746 0 220 ILE A CG2 1 ? 
ATOM   1609 C  CD1 . ILE A 1 220 ? -14.862 -26.671 2.206   1.000 16.245 0 220 ILE A CD1 1 ? 
ATOM   1610 N  N   . ALA A 1 221 ? -20.068 -26.309 -0.091  1.000 10.310 0 221 ALA A N   1 ? 
ATOM   1611 C  CA  . ALA A 1 221 ? -21.096 -27.007 -0.847  1.000 11.704 0 221 ALA A CA  1 ? 
ATOM   1612 C  C   . ALA A 1 221 ? -21.755 -26.079 -1.858  1.000 12.897 0 221 ALA A C   1 ? 
ATOM   1613 O  O   . ALA A 1 221 ? -22.368 -26.546 -2.810  1.000 12.770 0 221 ALA A O   1 ? 
ATOM   1614 C  CB  . ALA A 1 221 ? -22.140 -27.522 0.112   1.000 12.563 0 221 ALA A CB  1 ? 
ATOM   1615 N  N   . SER A 1 222 ? -21.634 -24.764 -1.666  1.000 12.253 0 222 SER A N   1 ? 
ATOM   1616 C  CA  . SER A 1 222 ? -22.359 -23.809 -2.485  1.000 12.307 0 222 SER A CA  1 ? 
ATOM   1617 C  C   . SER A 1 222 ? -21.474 -22.823 -3.243  1.000 12.593 0 222 SER A C   1 ? 
ATOM   1618 O  O   . SER A 1 222 ? -21.976 -21.857 -3.813  1.000 13.729 0 222 SER A O   1 ? 
ATOM   1619 C  CB  . SER A 1 222 ? -23.332 -23.025 -1.700  1.000 17.299 0 222 SER A CB  1 ? 
ATOM   1620 O  OG  . SER A 1 222 ? -24.462 -23.832 -1.416  1.000 20.586 0 222 SER A OG  1 ? 
ATOM   1621 N  N   . ASN A 1 223 ? -20.173 -23.107 -3.331  1.000 11.876 0 223 ASN A N   1 ? 
ATOM   1622 C  CA  . ASN A 1 223 ? -19.215 -22.240 -3.992  1.000 12.612 0 223 ASN A CA  1 ? 
ATOM   1623 C  C   . ASN A 1 223 ? -18.191 -23.038 -4.804  1.000 13.924 0 223 ASN A C   1 ? 
ATOM   1624 O  O   . ASN A 1 223 ? -17.255 -22.400 -5.285  1.000 16.817 0 223 ASN A O   1 ? 
ATOM   1625 C  CB  . ASN A 1 223 ? -18.476 -21.376 -2.990  1.000 12.667 0 223 ASN A CB  1 ? 
ATOM   1626 C  CG  . ASN A 1 223 ? -19.347 -20.284 -2.445  1.000 13.294 0 223 ASN A CG  1 ? 
ATOM   1627 O  OD1 . ASN A 1 223 ? -19.474 -19.218 -3.093  1.000 16.326 0 223 ASN A OD1 1 ? 
ATOM   1628 N  ND2 . ASN A 1 223 ? -19.902 -20.502 -1.253  1.000 12.366 0 223 ASN A ND2 1 ? 
ATOM   1629 O  OXT . ASN A 1 223 ? -18.311 -24.274 -4.919  1.000 15.609 0 223 ASN A OXT 1 ? 
HETATM 1630 CA CA  . CA  B 2 .   ? 10.092  -24.988 -3.173  1.000 7.829  0 301 CA  A CA  1 ? 
HETATM 1631 C  C1  . BEN C 3 .   ? 1.851   -15.087 17.084  1.000 10.026 0 302 BEN A C1  1 ? 
HETATM 1632 C  C2  . BEN C 3 .   ? 1.287   -15.713 16.003  1.000 10.790 0 302 BEN A C2  1 ? 
HETATM 1633 C  C3  . BEN C 3 .   ? 0.959   -15.036 14.853  1.000 12.276 0 302 BEN A C3  1 ? 
HETATM 1634 C  C4  . BEN C 3 .   ? 1.313   -13.731 14.713  1.000 12.633 0 302 BEN A C4  1 ? 
HETATM 1635 C  C5  . BEN C 3 .   ? 1.863   -13.081 15.786  1.000 13.967 0 302 BEN A C5  1 ? 
HETATM 1636 C  C6  . BEN C 3 .   ? 2.126   -13.741 16.975  1.000 13.017 0 302 BEN A C6  1 ? 
HETATM 1637 C  C   . BEN C 3 .   ? 2.168   -15.865 18.301  1.000 9.712  0 302 BEN A C   1 ? 
HETATM 1638 N  N1  . BEN C 3 .   ? 1.801   -17.094 18.442  1.000 8.664  0 302 BEN A N1  1 ? 
HETATM 1639 N  N2  . BEN C 3 .   ? 2.934   -15.297 19.238  1.000 8.904  0 302 BEN A N2  1 ? 
HETATM 1640 O  O   . HOH D 4 .   ? 17.083  -17.221 3.323   1.000 25.915 0 401 HOH A O   1 ? 
HETATM 1641 O  O   . HOH D 4 .   ? 15.629  -21.803 6.475   1.000 42.514 0 402 HOH A O   1 ? 
HETATM 1642 O  O   . HOH D 4 .   ? -9.828  -21.161 25.745  1.000 28.180 0 403 HOH A O   1 ? 
HETATM 1643 O  O   . HOH D 4 .   ? 6.356   -12.208 7.486   1.000 45.998 0 404 HOH A O   1 ? 
HETATM 1644 O  O   . HOH D 4 .   ? -9.214  -17.827 -14.321 1.000 49.777 0 405 HOH A O   1 ? 
HETATM 1645 O  O   . HOH D 4 .   ? -12.070 -20.670 24.277  1.000 23.889 0 406 HOH A O   1 ? 
HETATM 1646 O  O   . HOH D 4 .   ? 5.062   -41.521 -1.016  1.000 22.680 0 407 HOH A O   1 ? 
HETATM 1647 O  O   . HOH D 4 .   ? -2.663  -35.314 20.107  1.000 32.740 0 408 HOH A O   1 ? 
HETATM 1648 O  O   . HOH D 4 .   ? -4.374  -27.970 -10.758 1.000 21.470 0 409 HOH A O   1 ? 
HETATM 1649 O  O   . HOH D 4 .   ? -10.921 -26.583 17.238  1.000 9.111  0 410 HOH A O   1 ? 
HETATM 1650 O  O   . HOH D 4 .   ? -14.405 -22.139 23.126  1.000 33.883 0 411 HOH A O   1 ? 
HETATM 1651 O  O   . HOH D 4 .   ? 12.420  -12.396 23.537  1.000 23.078 0 412 HOH A O   1 ? 
HETATM 1652 O  O   . HOH D 4 .   ? -5.530  -24.241 34.369  1.000 28.791 0 413 HOH A O   1 ? 
HETATM 1653 O  O   . HOH D 4 .   ? -3.963  -8.945  4.974   1.000 38.453 0 414 HOH A O   1 ? 
HETATM 1654 O  O   . HOH D 4 .   ? -18.656 -27.761 -3.748  1.000 17.839 0 415 HOH A O   1 ? 
HETATM 1655 O  O   . HOH D 4 .   ? 16.250  -27.375 -7.879  1.000 35.491 0 416 HOH A O   1 ? 
HETATM 1656 O  O   . HOH D 4 .   ? -21.647 -15.306 11.423  1.000 35.579 0 417 HOH A O   1 ? 
HETATM 1657 O  O   . HOH D 4 .   ? -18.501 -19.367 19.746  1.000 27.494 0 418 HOH A O   1 ? 
HETATM 1658 O  O   . HOH D 4 .   ? 4.349   -31.033 1.184   1.000 11.932 0 419 HOH A O   1 ? 
HETATM 1659 O  O   . HOH D 4 .   ? 8.583   -10.968 20.461  1.000 14.683 0 420 HOH A O   1 ? 
HETATM 1660 O  O   . HOH D 4 .   ? 5.839   -11.406 28.808  1.000 21.000 0 421 HOH A O   1 ? 
HETATM 1661 O  O   . HOH D 4 .   ? -23.194 -20.909 7.448   1.000 37.455 0 422 HOH A O   1 ? 
HETATM 1662 O  O   . HOH D 4 .   ? -24.627 -24.635 1.103   1.000 21.777 0 423 HOH A O   1 ? 
HETATM 1663 O  O   . HOH D 4 .   ? -12.648 -21.974 -8.838  1.000 26.529 0 424 HOH A O   1 ? 
HETATM 1664 O  O   . HOH D 4 .   ? 10.236  -17.599 5.608   1.000 19.058 0 425 HOH A O   1 ? 
HETATM 1665 O  O   . HOH D 4 .   ? 6.066   -30.212 -9.227  1.000 27.773 0 426 HOH A O   1 ? 
HETATM 1666 O  O   . HOH D 4 .   ? -10.969 -31.860 5.303   1.000 16.584 0 427 HOH A O   1 ? 
HETATM 1667 O  O   . HOH D 4 .   ? -12.874 -32.953 23.514  1.000 27.263 0 428 HOH A O   1 ? 
HETATM 1668 O  O   . HOH D 4 .   ? -12.855 -35.878 10.807  1.000 30.100 0 429 HOH A O   1 ? 
HETATM 1669 O  O   . HOH D 4 .   ? -9.736  -10.112 21.260  1.000 16.995 0 430 HOH A O   1 ? 
HETATM 1670 O  O   . HOH D 4 .   ? -7.498  -7.939  9.040   1.000 13.987 0 431 HOH A O   1 ? 
HETATM 1671 O  O   . HOH D 4 .   ? -0.904  -19.546 -10.750 1.000 24.681 0 432 HOH A O   1 ? 
HETATM 1672 O  O   . HOH D 4 .   ? 11.490  -35.684 3.735   1.000 24.876 0 433 HOH A O   1 ? 
HETATM 1673 O  O   . HOH D 4 .   ? 10.717  -9.170  24.727  1.000 29.002 0 434 HOH A O   1 ? 
HETATM 1674 O  O   . HOH D 4 .   ? 11.337  -28.847 6.666   1.000 9.345  0 435 HOH A O   1 ? 
HETATM 1675 O  O   . HOH D 4 .   ? -12.239 -22.579 -11.488 1.000 37.277 0 436 HOH A O   1 ? 
HETATM 1676 O  O   . HOH D 4 .   ? -7.540  -33.744 -7.918  1.000 31.164 0 437 HOH A O   1 ? 
HETATM 1677 O  O   . HOH D 4 .   ? 4.609   -14.331 22.894  1.000 12.061 0 438 HOH A O   1 ? 
HETATM 1678 O  O   . HOH D 4 .   ? -8.141  -13.362 -2.424  1.000 20.915 0 439 HOH A O   1 ? 
HETATM 1679 O  O   . HOH D 4 .   ? 0.724   -28.820 11.397  1.000 7.493  0 440 HOH A O   1 ? 
HETATM 1680 O  O   . HOH D 4 .   ? -3.237  -37.497 -0.662  1.000 17.628 0 441 HOH A O   1 ? 
HETATM 1681 O  O   . HOH D 4 .   ? 9.785   -35.438 -0.290  1.000 23.532 0 442 HOH A O   1 ? 
HETATM 1682 O  O   . HOH D 4 .   ? -4.951  -23.386 8.537   1.000 10.992 0 443 HOH A O   1 ? 
HETATM 1683 O  O   . HOH D 4 .   ? -8.798  -3.391  12.332  1.000 15.519 0 444 HOH A O   1 ? 
HETATM 1684 O  O   . HOH D 4 .   ? 15.699  -20.821 -6.432  1.000 12.455 0 445 HOH A O   1 ? 
HETATM 1685 O  O   . HOH D 4 .   ? 3.629   -36.577 3.730   1.000 14.068 0 446 HOH A O   1 ? 
HETATM 1686 O  O   . HOH D 4 .   ? 8.123   -10.400 27.560  1.000 21.394 0 447 HOH A O   1 ? 
HETATM 1687 O  O   . HOH D 4 .   ? -5.679  -36.668 3.180   1.000 13.234 0 448 HOH A O   1 ? 
HETATM 1688 O  O   . HOH D 4 .   ? -9.505  -34.690 0.154   1.000 19.754 0 449 HOH A O   1 ? 
HETATM 1689 O  O   . HOH D 4 .   ? -8.192  -33.594 17.544  1.000 14.399 0 450 HOH A O   1 ? 
HETATM 1690 O  O   . HOH D 4 .   ? 2.710   -15.332 -7.010  1.000 19.364 0 451 HOH A O   1 ? 
HETATM 1691 O  O   . HOH D 4 .   ? -16.453 -26.196 -4.306  1.000 18.726 0 452 HOH A O   1 ? 
HETATM 1692 O  O   . HOH D 4 .   ? 2.973   -32.425 -6.008  1.000 16.262 0 453 HOH A O   1 ? 
HETATM 1693 O  O   . HOH D 4 .   ? -6.644  -8.200  5.143   1.000 31.424 0 454 HOH A O   1 ? 
HETATM 1694 O  O   . HOH D 4 .   ? 10.825  -27.810 19.793  1.000 24.467 0 455 HOH A O   1 ? 
HETATM 1695 O  O   . HOH D 4 .   ? 17.145  -18.943 5.687   1.000 31.600 0 456 HOH A O   1 ? 
HETATM 1696 O  O   . HOH D 4 .   ? -10.344 -33.412 -7.193  1.000 27.089 0 457 HOH A O   1 ? 
HETATM 1697 O  O   . HOH D 4 .   ? -2.376  -27.812 29.018  1.000 15.058 0 458 HOH A O   1 ? 
HETATM 1698 O  O   . HOH D 4 .   ? -5.501  -15.404 -7.558  1.000 25.078 0 459 HOH A O   1 ? 
HETATM 1699 O  O   . HOH D 4 .   ? -1.423  -34.918 17.654  1.000 29.300 0 460 HOH A O   1 ? 
HETATM 1700 O  O   . HOH D 4 .   ? 10.017  -11.830 17.233  1.000 27.492 0 461 HOH A O   1 ? 
HETATM 1701 O  O   . HOH D 4 .   ? -15.328 -8.749  18.483  1.000 18.154 0 462 HOH A O   1 ? 
HETATM 1702 O  O   . HOH D 4 .   ? 8.252   -13.374 2.423   1.000 28.882 0 463 HOH A O   1 ? 
HETATM 1703 O  O   . HOH D 4 .   ? 8.897   -29.295 -3.281  1.000 9.586  0 464 HOH A O   1 ? 
HETATM 1704 O  O   . HOH D 4 .   ? -8.568  -35.075 4.479   1.000 21.122 0 465 HOH A O   1 ? 
HETATM 1705 O  O   . HOH D 4 .   ? -0.131  -8.815  30.553  1.000 19.532 0 466 HOH A O   1 ? 
HETATM 1706 O  O   . HOH D 4 .   ? 0.123   -12.676 30.724  1.000 27.833 0 467 HOH A O   1 ? 
HETATM 1707 O  O   . HOH D 4 .   ? -1.624  -28.855 -9.876  1.000 19.727 0 468 HOH A O   1 ? 
HETATM 1708 O  O   . HOH D 4 .   ? -12.375 -6.582  27.000  1.000 21.759 0 469 HOH A O   1 ? 
HETATM 1709 O  O   . HOH D 4 .   ? 2.181   -8.952  18.973  1.000 17.714 0 470 HOH A O   1 ? 
HETATM 1710 O  O   . HOH D 4 .   ? -8.604  -15.312 16.775  1.000 11.212 0 471 HOH A O   1 ? 
HETATM 1711 O  O   . HOH D 4 .   ? -16.574 -23.573 21.466  1.000 26.705 0 472 HOH A O   1 ? 
HETATM 1712 O  O   . HOH D 4 .   ? 10.142  -31.433 -2.088  1.000 14.274 0 473 HOH A O   1 ? 
HETATM 1713 O  O   . HOH D 4 .   ? 1.072   -28.906 0.578   1.000 10.134 0 474 HOH A O   1 ? 
HETATM 1714 O  O   . HOH D 4 .   ? -4.918  -23.488 -12.350 1.000 28.732 0 475 HOH A O   1 ? 
HETATM 1715 O  O   . HOH D 4 .   ? -8.698  -0.100  14.338  1.000 9.521  0 476 HOH A O   1 ? 
HETATM 1716 O  O   . HOH D 4 .   ? -5.715  -31.818 -10.834 1.000 39.205 0 477 HOH A O   1 ? 
HETATM 1717 O  O   . HOH D 4 .   ? -8.263  -38.858 15.492  1.000 30.833 0 478 HOH A O   1 ? 
HETATM 1718 O  O   . HOH D 4 .   ? -15.126 -26.720 23.779  1.000 27.084 0 479 HOH A O   1 ? 
HETATM 1719 O  O   . HOH D 4 .   ? -19.620 -19.792 11.779  1.000 15.832 0 480 HOH A O   1 ? 
HETATM 1720 O  O   . HOH D 4 .   ? 7.889   -29.334 3.674   1.000 8.825  0 481 HOH A O   1 ? 
HETATM 1721 O  O   . HOH D 4 .   ? -16.155 -13.640 -1.453  1.000 22.666 0 482 HOH A O   1 ? 
HETATM 1722 O  O   . HOH D 4 .   ? 0.309   -35.921 -8.114  1.000 23.569 0 483 HOH A O   1 ? 
HETATM 1723 O  O   . HOH D 4 .   ? -19.312 -29.565 1.879   1.000 18.702 0 484 HOH A O   1 ? 
HETATM 1724 O  O   . HOH D 4 .   ? 0.098   -14.132 -6.839  1.000 27.313 0 485 HOH A O   1 ? 
HETATM 1725 O  O   . HOH D 4 .   ? -1.681  -8.760  -3.670  1.000 42.979 0 486 HOH A O   1 ? 
HETATM 1726 O  O   . HOH D 4 .   ? -19.774 -25.164 -7.170  1.000 15.180 0 487 HOH A O   1 ? 
HETATM 1727 O  O   . HOH D 4 .   ? -8.712  -9.115  6.533   1.000 14.380 0 488 HOH A O   1 ? 
HETATM 1728 O  O   . HOH D 4 .   ? 4.453   -36.566 19.947  1.000 28.217 0 489 HOH A O   1 ? 
HETATM 1729 O  O   . HOH D 4 .   ? -1.715  -11.488 14.366  1.000 14.428 0 490 HOH A O   1 ? 
HETATM 1730 O  O   . HOH D 4 .   ? -23.174 -29.259 -2.978  1.000 22.066 0 491 HOH A O   1 ? 
HETATM 1731 O  O   . HOH D 4 .   ? -13.019 -0.105  13.798  1.000 22.759 0 492 HOH A O   1 ? 
HETATM 1732 O  O   . HOH D 4 .   ? 12.166  -33.582 12.013  1.000 22.223 0 493 HOH A O   1 ? 
HETATM 1733 O  O   . HOH D 4 .   ? 1.751   -40.411 -3.727  1.000 32.934 0 494 HOH A O   1 ? 
HETATM 1734 O  O   . HOH D 4 .   ? 8.228   -28.569 -9.162  1.000 26.858 0 495 HOH A O   1 ? 
HETATM 1735 O  O   . HOH D 4 .   ? 0.670   -33.834 10.931  1.000 16.646 0 496 HOH A O   1 ? 
HETATM 1736 O  O   . HOH D 4 .   ? -7.179  -22.208 25.603  1.000 11.813 0 497 HOH A O   1 ? 
HETATM 1737 O  O   . HOH D 4 .   ? -20.280 -22.593 16.432  1.000 38.681 0 498 HOH A O   1 ? 
HETATM 1738 O  O   . HOH D 4 .   ? -12.606 -30.939 -3.940  1.000 24.456 0 499 HOH A O   1 ? 
HETATM 1739 O  O   . HOH D 4 .   ? 5.592   -30.521 4.504   1.000 9.607  0 500 HOH A O   1 ? 
HETATM 1740 O  O   . HOH D 4 .   ? -18.074 -26.152 18.811  1.000 23.440 0 501 HOH A O   1 ? 
HETATM 1741 O  O   . HOH D 4 .   ? -0.839  -18.017 17.294  1.000 10.694 0 502 HOH A O   1 ? 
HETATM 1742 O  O   . HOH D 4 .   ? -9.890  -29.002 -11.371 1.000 30.777 0 503 HOH A O   1 ? 
HETATM 1743 O  O   . HOH D 4 .   ? -8.794  -12.858 32.719  1.000 31.163 0 504 HOH A O   1 ? 
HETATM 1744 O  O   . HOH D 4 .   ? -13.522 -6.828  10.423  1.000 8.662  0 505 HOH A O   1 ? 
HETATM 1745 O  O   . HOH D 4 .   ? -25.548 -26.274 -2.464  1.000 51.301 0 506 HOH A O   1 ? 
HETATM 1746 O  O   . HOH D 4 .   ? 7.984   -34.113 10.723  1.000 30.301 0 507 HOH A O   1 ? 
HETATM 1747 O  O   . HOH D 4 .   ? 8.842   -15.603 -0.382  1.000 14.148 0 508 HOH A O   1 ? 
HETATM 1748 O  O   . HOH D 4 .   ? -9.024  -17.211 34.036  1.000 27.795 0 509 HOH A O   1 ? 
HETATM 1749 O  O   . HOH D 4 .   ? 9.638   -13.321 27.890  1.000 26.237 0 510 HOH A O   1 ? 
HETATM 1750 O  O   . HOH D 4 .   ? -6.038  -35.722 -6.965  1.000 26.856 0 511 HOH A O   1 ? 
HETATM 1751 O  O   . HOH D 4 .   ? -6.573  -35.961 8.366   1.000 16.476 0 512 HOH A O   1 ? 
HETATM 1752 O  O   . HOH D 4 .   ? -1.823  -17.914 32.474  1.000 24.018 0 513 HOH A O   1 ? 
HETATM 1753 O  O   . HOH D 4 .   ? -9.735  -13.222 28.056  1.000 13.561 0 514 HOH A O   1 ? 
HETATM 1754 O  O   . HOH D 4 .   ? -3.588  -21.404 -11.422 1.000 20.195 0 515 HOH A O   1 ? 
HETATM 1755 O  O   . HOH D 4 .   ? 4.393   -37.588 -3.762  1.000 39.146 0 516 HOH A O   1 ? 
HETATM 1756 O  O   . HOH D 4 .   ? 4.227   -28.529 2.584   1.000 10.317 0 517 HOH A O   1 ? 
HETATM 1757 O  O   . HOH D 4 .   ? -10.725 -4.281  8.509   1.000 21.947 0 518 HOH A O   1 ? 
HETATM 1758 O  O   . HOH D 4 .   ? -1.644  -35.525 14.258  1.000 19.778 0 519 HOH A O   1 ? 
HETATM 1759 O  O   . HOH D 4 .   ? -10.806 -12.305 30.369  1.000 33.668 0 520 HOH A O   1 ? 
HETATM 1760 O  O   . HOH D 4 .   ? -17.400 -8.990  9.395   1.000 18.355 0 521 HOH A O   1 ? 
HETATM 1761 O  O   . HOH D 4 .   ? 14.739  -22.947 -7.949  1.000 10.595 0 522 HOH A O   1 ? 
HETATM 1762 O  O   . HOH D 4 .   ? -10.134 -23.737 32.152  1.000 24.037 0 523 HOH A O   1 ? 
HETATM 1763 O  O   . HOH D 4 .   ? -6.870  -14.110 -4.630  1.000 24.196 0 524 HOH A O   1 ? 
HETATM 1764 O  O   . HOH D 4 .   ? -16.354 -32.806 10.511  1.000 28.721 0 525 HOH A O   1 ? 
HETATM 1765 O  O   . HOH D 4 .   ? 14.127  -32.513 4.532   1.000 24.265 0 526 HOH A O   1 ? 
HETATM 1766 O  O   . HOH D 4 .   ? -12.388 -34.887 15.723  1.000 24.319 0 527 HOH A O   1 ? 
HETATM 1767 O  O   . HOH D 4 .   ? -10.429 -27.951 27.620  1.000 26.245 0 528 HOH A O   1 ? 
HETATM 1768 O  O   . HOH D 4 .   ? -0.552  -8.645  25.935  1.000 24.360 0 529 HOH A O   1 ? 
HETATM 1769 O  O   . HOH D 4 .   ? -3.192  -25.535 30.822  1.000 20.954 0 530 HOH A O   1 ? 
HETATM 1770 O  O   . HOH D 4 .   ? -10.550 -33.761 -2.212  1.000 15.439 0 531 HOH A O   1 ? 
HETATM 1771 O  O   . HOH D 4 .   ? -12.746 -33.330 6.728   1.000 23.283 0 532 HOH A O   1 ? 
HETATM 1772 O  O   . HOH D 4 .   ? -19.646 -26.136 13.415  1.000 25.006 0 533 HOH A O   1 ? 
HETATM 1773 O  O   . HOH D 4 .   ? -6.102  -6.566  12.026  1.000 32.642 0 534 HOH A O   1 ? 
HETATM 1774 O  O   . HOH D 4 .   ? -9.985  -25.606 29.770  1.000 24.213 0 535 HOH A O   1 ? 
HETATM 1775 O  O   . HOH D 4 .   ? 8.061   -28.972 22.125  1.000 32.511 0 536 HOH A O   1 ? 
HETATM 1776 O  O   . HOH D 4 .   ? -2.766  -8.588  27.688  1.000 17.455 0 537 HOH A O   1 ? 
HETATM 1777 O  O   . HOH D 4 .   ? -11.293 -16.413 16.404  1.000 8.943  0 538 HOH A O   1 ? 
HETATM 1778 O  O   . HOH D 4 .   ? -8.088  -38.340 11.093  1.000 25.631 0 539 HOH A O   1 ? 
HETATM 1779 O  O   . HOH D 4 .   ? 9.256   -19.268 -6.925  1.000 24.879 0 540 HOH A O   1 ? 
HETATM 1780 O  O   . HOH D 4 .   ? -2.657  -35.080 5.684   1.000 21.149 0 541 HOH A O   1 ? 
HETATM 1781 O  O   . HOH D 4 .   ? -10.618 -27.334 19.958  1.000 18.671 0 542 HOH A O   1 ? 
HETATM 1782 O  O   . HOH D 4 .   ? -5.766  -6.846  -1.113  1.000 22.615 0 543 HOH A O   1 ? 
HETATM 1783 O  O   . HOH D 4 .   ? -4.227  -7.971  9.043   1.000 38.327 0 544 HOH A O   1 ? 
HETATM 1784 O  O   . HOH D 4 .   ? -19.986 -22.896 11.918  1.000 15.420 0 545 HOH A O   1 ? 
HETATM 1785 O  O   . HOH D 4 .   ? -19.067 -13.872 16.512  1.000 19.394 0 546 HOH A O   1 ? 
HETATM 1786 O  O   . HOH D 4 .   ? -2.478  -35.573 23.046  1.000 27.174 0 547 HOH A O   1 ? 
HETATM 1787 O  O   . HOH D 4 .   ? -16.927 -15.099 23.546  1.000 26.128 0 548 HOH A O   1 ? 
HETATM 1788 O  O   . HOH D 4 .   ? -17.226 -11.987 3.732   1.000 28.990 0 549 HOH A O   1 ? 
HETATM 1789 O  O   . HOH D 4 .   ? 14.557  -28.450 18.189  1.000 42.825 0 550 HOH A O   1 ? 
HETATM 1790 O  O   . HOH D 4 .   ? -17.197 -10.228 17.183  1.000 24.613 0 551 HOH A O   1 ? 
HETATM 1791 O  O   . HOH D 4 .   ? -13.917 -29.332 23.961  1.000 28.960 0 552 HOH A O   1 ? 
HETATM 1792 O  O   . HOH D 4 .   ? 3.799   -10.574 17.472  1.000 23.741 0 553 HOH A O   1 ? 
HETATM 1793 O  O   . HOH D 4 .   ? 5.240   -6.934  9.964   1.000 38.509 0 554 HOH A O   1 ? 
HETATM 1794 O  O   . HOH D 4 .   ? 0.264   -12.058 9.822   1.000 21.791 0 555 HOH A O   1 ? 
HETATM 1795 O  O   . HOH D 4 .   ? -17.782 -14.260 20.257  1.000 30.205 0 556 HOH A O   1 ? 
HETATM 1796 O  O   . HOH D 4 .   ? 5.558   -8.797  23.702  1.000 23.534 0 557 HOH A O   1 ? 
HETATM 1797 O  O   . HOH D 4 .   ? -1.293  -9.144  18.739  1.000 25.049 0 558 HOH A O   1 ? 
HETATM 1798 O  O   . HOH D 4 .   ? -11.373 -23.228 27.463  1.000 32.171 0 559 HOH A O   1 ? 
HETATM 1799 O  O   . HOH D 4 .   ? 1.637   -6.721  25.482  1.000 28.159 0 560 HOH A O   1 ? 
HETATM 1800 O  O   . HOH D 4 .   ? -12.857 -13.289 -4.023  1.000 19.789 0 561 HOH A O   1 ? 
HETATM 1801 O  O   . HOH D 4 .   ? 11.128  -35.942 -3.860  1.000 35.393 0 562 HOH A O   1 ? 
HETATM 1802 O  O   . HOH D 4 .   ? -1.773  -23.687 31.702  1.000 35.929 0 563 HOH A O   1 ? 
HETATM 1803 O  O   . HOH D 4 .   ? -5.457  -36.232 0.437   1.000 12.705 0 564 HOH A O   1 ? 
HETATM 1804 O  O   . HOH D 4 .   ? -22.460 -10.992 10.171  1.000 21.353 0 565 HOH A O   1 ? 
HETATM 1805 O  O   . HOH D 4 .   ? 5.190   -12.143 32.970  1.000 38.643 0 566 HOH A O   1 ? 
HETATM 1806 O  O   . HOH D 4 .   ? -19.350 -16.175 18.405  1.000 27.668 0 567 HOH A O   1 ? 
HETATM 1807 O  O   . HOH D 4 .   ? -11.542 -34.305 19.792  1.000 31.318 0 568 HOH A O   1 ? 
HETATM 1808 O  O   . HOH D 4 .   ? -14.241 -29.127 -3.292  1.000 28.093 0 569 HOH A O   1 ? 
HETATM 1809 O  O   . HOH D 4 .   ? -0.508  -10.869 16.796  1.000 22.521 0 570 HOH A O   1 ? 
HETATM 1810 O  O   . HOH D 4 .   ? -17.771 -7.028  14.383  1.000 27.099 0 571 HOH A O   1 ? 
HETATM 1811 O  O   . HOH D 4 .   ? -12.302 -35.966 6.557   1.000 39.038 0 572 HOH A O   1 ? 
HETATM 1812 O  O   . HOH D 4 .   ? 18.157  -13.755 19.034  1.000 47.751 0 573 HOH A O   1 ? 
HETATM 1813 O  O   . HOH D 4 .   ? -2.072  -15.340 -8.873  1.000 39.033 0 574 HOH A O   1 ? 
HETATM 1814 O  O   . HOH D 4 .   ? -8.143  -12.446 -6.123  1.000 25.522 0 575 HOH A O   1 ? 
HETATM 1815 O  O   . HOH D 4 .   ? -19.966 -25.564 15.788  1.000 54.277 0 576 HOH A O   1 ? 
HETATM 1816 O  O   . HOH D 4 .   ? -23.204 -27.827 7.438   1.000 40.665 0 577 HOH A O   1 ? 
HETATM 1817 O  O   . HOH D 4 .   ? -13.319 -10.791 24.753  1.000 33.979 0 578 HOH A O   1 ? 
HETATM 1818 O  O   . HOH D 4 .   ? 2.813   -12.708 -7.890  1.000 38.821 0 579 HOH A O   1 ? 
HETATM 1819 O  O   . HOH D 4 .   ? -16.040 -6.129  19.368  1.000 27.852 0 580 HOH A O   1 ? 
HETATM 1820 O  O   . HOH D 4 .   ? 1.217   -6.627  22.022  1.000 30.635 0 581 HOH A O   1 ? 
HETATM 1821 O  O   . HOH D 4 .   ? 6.328   -33.841 10.780  1.000 47.674 0 582 HOH A O   1 ? 
HETATM 1822 O  O   . HOH D 4 .   ? 1.981   -8.014  29.056  1.000 30.163 0 583 HOH A O   1 ? 
HETATM 1823 O  O   . HOH D 4 .   ? -17.311 -30.015 14.728  1.000 46.944 0 584 HOH A O   1 ? 
HETATM 1824 O  O   . HOH D 4 .   ? 0.134   -26.918 -10.646 1.000 36.919 0 585 HOH A O   1 ? 
HETATM 1825 O  O   . HOH D 4 .   ? -20.698 -8.997  11.687  1.000 39.579 0 586 HOH A O   1 ? 
HETATM 1826 O  O   . HOH D 4 .   ? -10.757 -34.903 17.719  1.000 35.217 0 587 HOH A O   1 ? 
HETATM 1827 O  O   . HOH D 4 .   ? -1.156  -8.698  21.419  1.000 20.025 0 588 HOH A O   1 ? 
HETATM 1828 O  O   . HOH D 4 .   ? -18.087 -4.848  17.322  1.000 45.409 0 589 HOH A O   1 ? 
HETATM 1829 O  O   . HOH D 4 .   ? -23.559 -22.781 9.187   1.000 35.636 0 590 HOH A O   1 ? 
HETATM 1830 O  O   . HOH D 4 .   ? 3.049   -34.365 20.761  1.000 39.392 0 591 HOH A O   1 ? 
HETATM 1831 O  O   . HOH D 4 .   ? -18.932 -19.360 15.444  1.000 38.668 0 592 HOH A O   1 ? 
HETATM 1832 O  O   . HOH D 4 .   ? 12.720  -31.609 -1.298  1.000 30.376 0 593 HOH A O   1 ? 
HETATM 1833 O  O   . HOH D 4 .   ? -7.674  -34.496 20.112  1.000 32.534 0 594 HOH A O   1 ? 
HETATM 1834 O  O   . HOH D 4 .   ? -14.915 -9.955  20.689  1.000 27.975 0 595 HOH A O   1 ? 
HETATM 1835 O  O   . HOH D 4 .   ? -7.833  -37.217 -0.301  1.000 22.409 0 596 HOH A O   1 ? 
HETATM 1836 O  O   . HOH D 4 .   ? -9.968  -35.337 -4.271  1.000 28.154 0 597 HOH A O   1 ? 
HETATM 1837 O  O   . HOH D 4 .   ? -2.174  -38.914 1.849   1.000 22.870 0 598 HOH A O   1 ? 
HETATM 1838 O  O   . HOH D 4 .   ? -8.183  -37.996 2.537   1.000 28.488 0 599 HOH A O   1 ? 
HETATM 1839 O  O   . HOH D 4 .   ? 3.415   -15.793 -9.623  1.000 32.676 0 600 HOH A O   1 ? 
HETATM 1840 O  O   . HOH D 4 .   ? -6.452  -4.208  11.439  1.000 33.226 0 601 HOH A O   1 ? 
HETATM 1841 O  O   . HOH D 4 .   ? 3.614   -32.526 -8.466  1.000 44.266 0 602 HOH A O   1 ? 
HETATM 1842 O  O   . HOH D 4 .   ? -18.718 -7.689  11.130  1.000 35.301 0 603 HOH A O   1 ? 
HETATM 1843 O  O   . HOH D 4 .   ? -12.656 -9.652  22.231  1.000 22.528 0 604 HOH A O   1 ? 
HETATM 1844 O  O   . HOH D 4 .   ? 4.213   -20.192 -11.772 1.000 51.268 0 605 HOH A O   1 ? 
HETATM 1845 O  O   . HOH D 4 .   ? -17.070 -11.551 21.754  1.000 38.974 0 606 HOH A O   1 ? 
HETATM 1846 O  O   . HOH D 4 .   ? 1.383   -34.099 17.511  1.000 41.860 0 607 HOH A O   1 ? 
HETATM 1847 O  O   . HOH D 4 .   ? 1.126   -30.533 28.896  1.000 32.049 0 608 HOH A O   1 ? 
HETATM 1848 O  O   . HOH D 4 .   ? -3.001  -9.327  13.156  1.000 31.736 0 609 HOH A O   1 ? 
HETATM 1849 O  O   . HOH D 4 .   ? -14.704 -4.726  11.968  1.000 28.304 0 610 HOH A O   1 ? 
HETATM 1850 O  O   . HOH D 4 .   ? 14.359  -33.357 13.764  1.000 22.141 0 611 HOH A O   1 ? 
HETATM 1851 O  O   . HOH D 4 .   ? -0.922  -15.770 33.984  1.000 49.116 0 612 HOH A O   1 ? 
HETATM 1852 O  O   . HOH D 4 .   ? -17.294 -26.661 22.643  1.000 34.918 0 613 HOH A O   1 ? 
HETATM 1853 O  O   . HOH D 4 .   ? -9.378  -7.662  22.279  1.000 29.629 0 614 HOH A O   1 ? 
HETATM 1854 O  O   . HOH D 4 .   ? -20.394 -18.235 14.247  1.000 37.133 0 615 HOH A O   1 ? 
HETATM 1855 O  O   . HOH D 4 .   ? -7.013  -5.442  8.979   1.000 46.728 0 616 HOH A O   1 ? 
HETATM 1856 O  O   . HOH D 4 .   ? -1.066  -40.818 1.007   1.000 34.083 0 617 HOH A O   1 ? 
HETATM 1857 O  O   . HOH D 4 .   ? -16.682 -13.794 -3.767  1.000 31.589 0 618 HOH A O   1 ? 
HETATM 1858 O  O   . HOH D 4 .   ? -22.015 -19.441 9.998   1.000 31.395 0 619 HOH A O   1 ? 
HETATM 1859 O  O   . HOH D 4 .   ? -11.373 -18.183 33.482  1.000 41.667 0 620 HOH A O   1 ? 
HETATM 1860 O  O   . HOH D 4 .   ? 3.968   -9.547  29.606  1.000 18.926 0 621 HOH A O   1 ? 
HETATM 1861 O  O   . HOH D 4 .   ? -8.878  -31.199 -12.364 1.000 32.954 0 622 HOH A O   1 ? 
HETATM 1862 O  O   . HOH D 4 .   ? -1.697  -19.942 34.345  1.000 37.159 0 623 HOH A O   1 ? 
HETATM 1863 O  O   . HOH D 4 .   ? 0.526   -27.721 29.313  1.000 15.729 0 624 HOH A O   1 ? 
# 
