data_9AWC
# 
_entry.id   9AWC 
# 
_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   9AWC         pdb_00009awc 10.2210/pdb9awc/pdb 
WWPDB D_1000282170 ?            ?                   
# 
_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                        9AWC 
_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 175 Kelvin with benzamidine (duplicate)' 
_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    323 ?        ? ? ? 
# 
_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   401 273 HOH HOH A . 
D 4 HOH 2   402 262 HOH HOH A . 
D 4 HOH 3   403 187 HOH HOH A . 
D 4 HOH 4   404 104 HOH HOH A . 
D 4 HOH 5   405 205 HOH HOH A . 
D 4 HOH 6   406 145 HOH HOH A . 
D 4 HOH 7   407 159 HOH HOH A . 
D 4 HOH 8   408 256 HOH HOH A . 
D 4 HOH 9   409 11  HOH HOH A . 
D 4 HOH 10  410 268 HOH HOH A . 
D 4 HOH 11  411 163 HOH HOH A . 
D 4 HOH 12  412 228 HOH HOH A . 
D 4 HOH 13  413 143 HOH HOH A . 
D 4 HOH 14  414 109 HOH HOH A . 
D 4 HOH 15  415 160 HOH HOH A . 
D 4 HOH 16  416 245 HOH HOH A . 
D 4 HOH 17  417 38  HOH HOH A . 
D 4 HOH 18  418 285 HOH HOH A . 
D 4 HOH 19  419 134 HOH HOH A . 
D 4 HOH 20  420 13  HOH HOH A . 
D 4 HOH 21  421 69  HOH HOH A . 
D 4 HOH 22  422 199 HOH HOH A . 
D 4 HOH 23  423 222 HOH HOH A . 
D 4 HOH 24  424 22  HOH HOH A . 
D 4 HOH 25  425 59  HOH HOH A . 
D 4 HOH 26  426 50  HOH HOH A . 
D 4 HOH 27  427 117 HOH HOH A . 
D 4 HOH 28  428 142 HOH HOH A . 
D 4 HOH 29  429 12  HOH HOH A . 
D 4 HOH 30  430 33  HOH HOH A . 
D 4 HOH 31  431 188 HOH HOH A . 
D 4 HOH 32  432 42  HOH HOH A . 
D 4 HOH 33  433 201 HOH HOH A . 
D 4 HOH 34  434 276 HOH HOH A . 
D 4 HOH 35  435 137 HOH HOH A . 
D 4 HOH 36  436 259 HOH HOH A . 
D 4 HOH 37  437 144 HOH HOH A . 
D 4 HOH 38  438 1   HOH HOH A . 
D 4 HOH 39  439 131 HOH HOH A . 
D 4 HOH 40  440 2   HOH HOH A . 
D 4 HOH 41  441 196 HOH HOH A . 
D 4 HOH 42  442 64  HOH HOH A . 
D 4 HOH 43  443 87  HOH HOH A . 
D 4 HOH 44  444 97  HOH HOH A . 
D 4 HOH 45  445 165 HOH HOH A . 
D 4 HOH 46  446 275 HOH HOH A . 
D 4 HOH 47  447 121 HOH HOH A . 
D 4 HOH 48  448 139 HOH HOH A . 
D 4 HOH 49  449 63  HOH HOH A . 
D 4 HOH 50  450 46  HOH HOH A . 
D 4 HOH 51  451 72  HOH HOH A . 
D 4 HOH 52  452 161 HOH HOH A . 
D 4 HOH 53  453 44  HOH HOH A . 
D 4 HOH 54  454 58  HOH HOH A . 
D 4 HOH 55  455 113 HOH HOH A . 
D 4 HOH 56  456 170 HOH HOH A . 
D 4 HOH 57  457 100 HOH HOH A . 
D 4 HOH 58  458 218 HOH HOH A . 
D 4 HOH 59  459 197 HOH HOH A . 
D 4 HOH 60  460 76  HOH HOH A . 
D 4 HOH 61  461 66  HOH HOH A . 
D 4 HOH 62  462 162 HOH HOH A . 
D 4 HOH 63  463 130 HOH HOH A . 
D 4 HOH 64  464 168 HOH HOH A . 
D 4 HOH 65  465 5   HOH HOH A . 
D 4 HOH 66  466 45  HOH HOH A . 
D 4 HOH 67  467 123 HOH HOH A . 
D 4 HOH 68  468 135 HOH HOH A . 
D 4 HOH 69  469 19  HOH HOH A . 
D 4 HOH 70  470 124 HOH HOH A . 
D 4 HOH 71  471 41  HOH HOH A . 
D 4 HOH 72  472 29  HOH HOH A . 
D 4 HOH 73  473 216 HOH HOH A . 
D 4 HOH 74  474 107 HOH HOH A . 
D 4 HOH 75  475 223 HOH HOH A . 
D 4 HOH 76  476 177 HOH HOH A . 
D 4 HOH 77  477 212 HOH HOH A . 
D 4 HOH 78  478 231 HOH HOH A . 
D 4 HOH 79  479 204 HOH HOH A . 
D 4 HOH 80  480 32  HOH HOH A . 
D 4 HOH 81  481 65  HOH HOH A . 
D 4 HOH 82  482 213 HOH HOH A . 
D 4 HOH 83  483 152 HOH HOH A . 
D 4 HOH 84  484 83  HOH HOH A . 
D 4 HOH 85  485 240 HOH HOH A . 
D 4 HOH 86  486 198 HOH HOH A . 
D 4 HOH 87  487 70  HOH HOH A . 
D 4 HOH 88  488 141 HOH HOH A . 
D 4 HOH 89  489 146 HOH HOH A . 
D 4 HOH 90  490 140 HOH HOH A . 
D 4 HOH 91  491 7   HOH HOH A . 
D 4 HOH 92  492 54  HOH HOH A . 
D 4 HOH 93  493 122 HOH HOH A . 
D 4 HOH 94  494 67  HOH HOH A . 
D 4 HOH 95  495 101 HOH HOH A . 
D 4 HOH 96  496 98  HOH HOH A . 
D 4 HOH 97  497 48  HOH HOH A . 
D 4 HOH 98  498 30  HOH HOH A . 
D 4 HOH 99  499 91  HOH HOH A . 
D 4 HOH 100 500 158 HOH HOH A . 
D 4 HOH 101 501 68  HOH HOH A . 
D 4 HOH 102 502 251 HOH HOH A . 
D 4 HOH 103 503 55  HOH HOH A . 
D 4 HOH 104 504 181 HOH HOH A . 
D 4 HOH 105 505 17  HOH HOH A . 
D 4 HOH 106 506 111 HOH HOH A . 
D 4 HOH 107 507 260 HOH HOH A . 
D 4 HOH 108 508 265 HOH HOH A . 
D 4 HOH 109 509 47  HOH HOH A . 
D 4 HOH 110 510 99  HOH HOH A . 
D 4 HOH 111 511 14  HOH HOH A . 
D 4 HOH 112 512 37  HOH HOH A . 
D 4 HOH 113 513 173 HOH HOH A . 
D 4 HOH 114 514 171 HOH HOH A . 
D 4 HOH 115 515 78  HOH HOH A . 
D 4 HOH 116 516 8   HOH HOH A . 
D 4 HOH 117 517 153 HOH HOH A . 
D 4 HOH 118 518 6   HOH HOH A . 
D 4 HOH 119 519 26  HOH HOH A . 
D 4 HOH 120 520 60  HOH HOH A . 
D 4 HOH 121 521 3   HOH HOH A . 
D 4 HOH 122 522 18  HOH HOH A . 
D 4 HOH 123 523 307 HOH HOH A . 
D 4 HOH 124 524 89  HOH HOH A . 
D 4 HOH 125 525 10  HOH HOH A . 
D 4 HOH 126 526 56  HOH HOH A . 
D 4 HOH 127 527 127 HOH HOH A . 
D 4 HOH 128 528 203 HOH HOH A . 
D 4 HOH 129 529 132 HOH HOH A . 
D 4 HOH 130 530 49  HOH HOH A . 
D 4 HOH 131 531 128 HOH HOH A . 
D 4 HOH 132 532 40  HOH HOH A . 
D 4 HOH 133 533 21  HOH HOH A . 
D 4 HOH 134 534 35  HOH HOH A . 
D 4 HOH 135 535 77  HOH HOH A . 
D 4 HOH 136 536 15  HOH HOH A . 
D 4 HOH 137 537 208 HOH HOH A . 
D 4 HOH 138 538 233 HOH HOH A . 
D 4 HOH 139 539 93  HOH HOH A . 
D 4 HOH 140 540 57  HOH HOH A . 
D 4 HOH 141 541 39  HOH HOH A . 
D 4 HOH 142 542 230 HOH HOH A . 
D 4 HOH 143 543 321 HOH HOH A . 
D 4 HOH 144 544 61  HOH HOH A . 
D 4 HOH 145 545 71  HOH HOH A . 
D 4 HOH 146 546 186 HOH HOH A . 
D 4 HOH 147 547 147 HOH HOH A . 
D 4 HOH 148 548 85  HOH HOH A . 
D 4 HOH 149 549 195 HOH HOH A . 
D 4 HOH 150 550 96  HOH HOH A . 
D 4 HOH 151 551 95  HOH HOH A . 
D 4 HOH 152 552 86  HOH HOH A . 
D 4 HOH 153 553 31  HOH HOH A . 
D 4 HOH 154 554 183 HOH HOH A . 
D 4 HOH 155 555 52  HOH HOH A . 
D 4 HOH 156 556 172 HOH HOH A . 
D 4 HOH 157 557 129 HOH HOH A . 
D 4 HOH 158 558 25  HOH HOH A . 
D 4 HOH 159 559 90  HOH HOH A . 
D 4 HOH 160 560 34  HOH HOH A . 
D 4 HOH 161 561 200 HOH HOH A . 
D 4 HOH 162 562 133 HOH HOH A . 
D 4 HOH 163 563 206 HOH HOH A . 
D 4 HOH 164 564 43  HOH HOH A . 
D 4 HOH 165 565 267 HOH HOH A . 
D 4 HOH 166 566 103 HOH HOH A . 
D 4 HOH 167 567 73  HOH HOH A . 
D 4 HOH 168 568 79  HOH HOH A . 
D 4 HOH 169 569 169 HOH HOH A . 
D 4 HOH 170 570 277 HOH HOH A . 
D 4 HOH 171 571 88  HOH HOH A . 
D 4 HOH 172 572 20  HOH HOH A . 
D 4 HOH 173 573 27  HOH HOH A . 
D 4 HOH 174 574 254 HOH HOH A . 
D 4 HOH 175 575 112 HOH HOH A . 
D 4 HOH 176 576 23  HOH HOH A . 
D 4 HOH 177 577 151 HOH HOH A . 
D 4 HOH 178 578 114 HOH HOH A . 
D 4 HOH 179 579 24  HOH HOH A . 
D 4 HOH 180 580 238 HOH HOH A . 
D 4 HOH 181 581 51  HOH HOH A . 
D 4 HOH 182 582 220 HOH HOH A . 
D 4 HOH 183 583 150 HOH HOH A . 
D 4 HOH 184 584 148 HOH HOH A . 
D 4 HOH 185 585 80  HOH HOH A . 
D 4 HOH 186 586 295 HOH HOH A . 
D 4 HOH 187 587 315 HOH HOH A . 
D 4 HOH 188 588 297 HOH HOH A . 
D 4 HOH 189 589 226 HOH HOH A . 
D 4 HOH 190 590 136 HOH HOH A . 
D 4 HOH 191 591 53  HOH HOH A . 
D 4 HOH 192 592 190 HOH HOH A . 
D 4 HOH 193 593 75  HOH HOH A . 
D 4 HOH 194 594 36  HOH HOH A . 
D 4 HOH 195 595 84  HOH HOH A . 
D 4 HOH 196 596 108 HOH HOH A . 
D 4 HOH 197 597 193 HOH HOH A . 
D 4 HOH 198 598 283 HOH HOH A . 
D 4 HOH 199 599 110 HOH HOH A . 
D 4 HOH 200 600 92  HOH HOH A . 
D 4 HOH 201 601 304 HOH HOH A . 
D 4 HOH 202 602 192 HOH HOH A . 
D 4 HOH 203 603 16  HOH HOH A . 
D 4 HOH 204 604 28  HOH HOH A . 
D 4 HOH 205 605 9   HOH HOH A . 
D 4 HOH 206 606 4   HOH HOH A . 
D 4 HOH 207 607 149 HOH HOH A . 
D 4 HOH 208 608 118 HOH HOH A . 
D 4 HOH 209 609 102 HOH HOH A . 
D 4 HOH 210 610 242 HOH HOH A . 
D 4 HOH 211 611 175 HOH HOH A . 
D 4 HOH 212 612 106 HOH HOH A . 
D 4 HOH 213 613 157 HOH HOH A . 
D 4 HOH 214 614 125 HOH HOH A . 
D 4 HOH 215 615 138 HOH HOH A . 
D 4 HOH 216 616 189 HOH HOH A . 
D 4 HOH 217 617 211 HOH HOH A . 
D 4 HOH 218 618 237 HOH HOH A . 
D 4 HOH 219 619 221 HOH HOH A . 
D 4 HOH 220 620 225 HOH HOH A . 
D 4 HOH 221 621 155 HOH HOH A . 
D 4 HOH 222 622 312 HOH HOH A . 
D 4 HOH 223 623 229 HOH HOH A . 
D 4 HOH 224 624 296 HOH HOH A . 
D 4 HOH 225 625 287 HOH HOH A . 
D 4 HOH 226 626 303 HOH HOH A . 
D 4 HOH 227 627 305 HOH HOH A . 
D 4 HOH 228 628 246 HOH HOH A . 
D 4 HOH 229 629 179 HOH HOH A . 
D 4 HOH 230 630 258 HOH HOH A . 
D 4 HOH 231 631 263 HOH HOH A . 
D 4 HOH 232 632 289 HOH HOH A . 
D 4 HOH 233 633 191 HOH HOH A . 
D 4 HOH 234 634 282 HOH HOH A . 
D 4 HOH 235 635 194 HOH HOH A . 
D 4 HOH 236 636 293 HOH HOH A . 
D 4 HOH 237 637 180 HOH HOH A . 
D 4 HOH 238 638 81  HOH HOH A . 
D 4 HOH 239 639 214 HOH HOH A . 
D 4 HOH 240 640 248 HOH HOH A . 
D 4 HOH 241 641 178 HOH HOH A . 
D 4 HOH 242 642 207 HOH HOH A . 
D 4 HOH 243 643 184 HOH HOH A . 
D 4 HOH 244 644 164 HOH HOH A . 
D 4 HOH 245 645 241 HOH HOH A . 
D 4 HOH 246 646 94  HOH HOH A . 
D 4 HOH 247 647 316 HOH HOH A . 
D 4 HOH 248 648 209 HOH HOH A . 
D 4 HOH 249 649 311 HOH HOH A . 
D 4 HOH 250 650 290 HOH HOH A . 
D 4 HOH 251 651 309 HOH HOH A . 
D 4 HOH 252 652 167 HOH HOH A . 
D 4 HOH 253 653 280 HOH HOH A . 
D 4 HOH 254 654 234 HOH HOH A . 
D 4 HOH 255 655 292 HOH HOH A . 
D 4 HOH 256 656 202 HOH HOH A . 
D 4 HOH 257 657 249 HOH HOH A . 
D 4 HOH 258 658 174 HOH HOH A . 
D 4 HOH 259 659 156 HOH HOH A . 
D 4 HOH 260 660 210 HOH HOH A . 
D 4 HOH 261 661 215 HOH HOH A . 
D 4 HOH 262 662 279 HOH HOH A . 
D 4 HOH 263 663 318 HOH HOH A . 
D 4 HOH 264 664 232 HOH HOH A . 
D 4 HOH 265 665 120 HOH HOH A . 
D 4 HOH 266 666 126 HOH HOH A . 
D 4 HOH 267 667 217 HOH HOH A . 
D 4 HOH 268 668 322 HOH HOH A . 
D 4 HOH 269 669 291 HOH HOH A . 
D 4 HOH 270 670 257 HOH HOH A . 
D 4 HOH 271 671 314 HOH HOH A . 
D 4 HOH 272 672 294 HOH HOH A . 
D 4 HOH 273 673 313 HOH HOH A . 
D 4 HOH 274 674 310 HOH HOH A . 
D 4 HOH 275 675 272 HOH HOH A . 
D 4 HOH 276 676 243 HOH HOH A . 
D 4 HOH 277 677 264 HOH HOH A . 
D 4 HOH 278 678 306 HOH HOH A . 
D 4 HOH 279 679 320 HOH HOH A . 
D 4 HOH 280 680 301 HOH HOH A . 
D 4 HOH 281 681 236 HOH HOH A . 
D 4 HOH 282 682 299 HOH HOH A . 
D 4 HOH 283 683 270 HOH HOH A . 
D 4 HOH 284 684 115 HOH HOH A . 
D 4 HOH 285 685 82  HOH HOH A . 
D 4 HOH 286 686 235 HOH HOH A . 
D 4 HOH 287 687 302 HOH HOH A . 
D 4 HOH 288 688 300 HOH HOH A . 
D 4 HOH 289 689 244 HOH HOH A . 
D 4 HOH 290 690 288 HOH HOH A . 
D 4 HOH 291 691 253 HOH HOH A . 
D 4 HOH 292 692 284 HOH HOH A . 
D 4 HOH 293 693 119 HOH HOH A . 
D 4 HOH 294 694 182 HOH HOH A . 
D 4 HOH 295 695 266 HOH HOH A . 
D 4 HOH 296 696 62  HOH HOH A . 
D 4 HOH 297 697 278 HOH HOH A . 
D 4 HOH 298 698 252 HOH HOH A . 
D 4 HOH 299 699 298 HOH HOH A . 
D 4 HOH 300 700 261 HOH HOH A . 
D 4 HOH 301 701 247 HOH HOH A . 
D 4 HOH 302 702 154 HOH HOH A . 
D 4 HOH 303 703 224 HOH HOH A . 
D 4 HOH 304 704 271 HOH HOH A . 
D 4 HOH 305 705 269 HOH HOH A . 
D 4 HOH 306 706 274 HOH HOH A . 
D 4 HOH 307 707 105 HOH HOH A . 
D 4 HOH 308 708 74  HOH HOH A . 
D 4 HOH 309 709 166 HOH HOH A . 
D 4 HOH 310 710 286 HOH HOH A . 
D 4 HOH 311 711 116 HOH HOH A . 
D 4 HOH 312 712 250 HOH HOH A . 
D 4 HOH 313 713 185 HOH HOH A . 
D 4 HOH 314 714 323 HOH HOH A . 
D 4 HOH 315 715 281 HOH HOH A . 
D 4 HOH 316 716 219 HOH HOH A . 
D 4 HOH 317 717 308 HOH HOH A . 
D 4 HOH 318 718 255 HOH HOH A . 
D 4 HOH 319 719 319 HOH HOH A . 
D 4 HOH 320 720 176 HOH HOH A . 
D 4 HOH 321 721 317 HOH HOH A . 
D 4 HOH 322 722 239 HOH HOH A . 
D 4 HOH 323 723 227 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                     9AWC 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     54.429 
_cell.length_a_esd                 ? 
_cell.length_b                     58.291 
_cell.length_b_esd                 ? 
_cell.length_c                     66.529 
_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                         9AWC 
_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                   9AWC 
_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             2.26 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          45.63 
_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              ? 
_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                     175 
_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         2023-11-04 
_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                                       9AWC 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.487 
_reflns.d_resolution_low                               25.532 
_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                                     34522 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           97.46 
_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                          11.430 
_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                                   0.764 
_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                                     25.53 
_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                             1701 
_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                                  0.764 
_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]                            -0.324 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -0.055 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            0.379 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               13.269 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.955 
_refine.correlation_coeff_Fo_to_Fc_free          0.941 
_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                                 9AWC 
_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                            1.487 
_refine.ls_d_res_low                             25.532 
_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                     34522 
_refine.ls_number_reflns_R_free                  1701 
_refine.ls_number_reflns_R_work                  32821 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    97.316 
_refine.ls_percent_reflns_R_free                 4.927 
_refine.ls_R_factor_all                          0.198 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2246 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1970 
_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                      0.198 
_refine.ls_wR_factor_R_work                      0.173 
_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                       0.084 
_refine.pdbx_overall_ESU_R_Free                  0.084 
_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                             1.776 
_refine.overall_SU_ML                            0.063 
_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                    0.9652 
_refine.pdbx_average_fsc_free                    0.9576 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.487 
_refine_hist.d_res_low                        25.532 
_refine_hist.number_atoms_solvent             323 
_refine_hist.number_atoms_total               1962 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1629 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         10 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.009  0.012  1669 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1540 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.734  1.758  2263 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.610  1.726  3563 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.187  5.000  222  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 17.590 5.000  3    ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 1.265  5.000  1    ? r_dihedral_angle_other_2_deg   ? ? 
'X-RAY DIFFRACTION' ? 11.439 10.000 269  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.391 10.000 58   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.086  0.200  254  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  1978 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  366  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.216  0.200  316  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.199  0.200  1416 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.177  0.200  826  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.086  0.200  911  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.265  0.200  198  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.319  0.200  1    ? r_symmetry_xyhbond_nbd_other   ? ? 
'X-RAY DIFFRACTION' ? 0.179  0.200  5    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.232  0.200  6    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.194  0.200  28   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.263  0.200  23   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.529  1.340  891  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.522  1.339  891  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.288  2.409  1112 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.287  2.409  1113 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.291  1.501  778  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.290  1.501  779  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.455  2.650  1151 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.454  2.650  1151 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.693  17.784 1992 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.283  14.492 1896 ? 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' 1.487 1.526  2582 . 101 1829 74.7483  . 0.356 . . 0.356 . . . . . 0.335 . 20 . 0.911 0.896 0.348 
'X-RAY DIFFRACTION' 1.526 1.567  2493 . 133 2332 98.8769  . 0.349 . . 0.349 . . . . . 0.319 . 20 . 0.923 0.935 0.355 
'X-RAY DIFFRACTION' 1.567 1.613  2444 . 104 2320 99.1817  . 0.335 . . 0.338 . . . . . 0.294 . 20 . 0.939 0.949 0.280 
'X-RAY DIFFRACTION' 1.613 1.662  2385 . 127 2248 99.5807  . 0.320 . . 0.317 . . . . . 0.270 . 20 . 0.949 0.932 0.381 
'X-RAY DIFFRACTION' 1.662 1.716  2306 . 128 2170 99.6531  . 0.273 . . 0.272 . . . . . 0.227 . 20 . 0.960 0.955 0.293 
'X-RAY DIFFRACTION' 1.716 1.776  2230 . 114 2109 99.6861  . 0.222 . . 0.220 . . . . . 0.179 . 20 . 0.972 0.964 0.252 
'X-RAY DIFFRACTION' 1.776 1.843  2146 . 113 2031 99.9068  . 0.188 . . 0.185 . . . . . 0.153 . 20 . 0.978 0.961 0.256 
'X-RAY DIFFRACTION' 1.843 1.918  2087 . 118 1950 99.0896  . 0.196 . . 0.194 . . . . . 0.169 . 20 . 0.975 0.966 0.224 
'X-RAY DIFFRACTION' 1.918 2.003  2007 . 93  1887 98.6547  . 0.199 . . 0.197 . . . . . 0.175 . 20 . 0.976 0.973 0.227 
'X-RAY DIFFRACTION' 2.003 2.100  1923 . 84  1776 96.7239  . 0.227 . . 0.228 . . . . . 0.198 . 20 . 0.970 0.965 0.224 
'X-RAY DIFFRACTION' 2.100 2.212  1830 . 79  1743 99.5628  . 0.175 . . 0.175 . . . . . 0.159 . 20 . 0.984 0.981 0.180 
'X-RAY DIFFRACTION' 2.212 2.346  1726 . 78  1595 96.9293  . 0.193 . . 0.193 . . . . . 0.167 . 20 . 0.977 0.967 0.194 
'X-RAY DIFFRACTION' 2.346 2.506  1630 . 79  1551 100.0000 . 0.151 . . 0.148 . . . . . 0.136 . 20 . 0.986 0.973 0.204 
'X-RAY DIFFRACTION' 2.506 2.705  1520 . 74  1436 99.3421  . 0.161 . . 0.158 . . . . . 0.144 . 20 . 0.983 0.969 0.232 
'X-RAY DIFFRACTION' 2.705 2.959  1425 . 50  1373 99.8596  . 0.170 . . 0.169 . . . . . 0.159 . 20 . 0.981 0.971 0.202 
'X-RAY DIFFRACTION' 2.959 3.303  1295 . 53  1242 100.0000 . 0.155 . . 0.154 . . . . . 0.150 . 20 . 0.984 0.979 0.178 
'X-RAY DIFFRACTION' 3.303 3.804  1143 . 54  1077 98.9501  . 0.167 . . 0.165 . . . . . 0.158 . 20 . 0.982 0.968 0.207 
'X-RAY DIFFRACTION' 3.804 4.633  991  . 66  920  99.4955  . 0.147 . . 0.146 . . . . . 0.151 . 20 . 0.989 0.988 0.155 
'X-RAY DIFFRACTION' 4.633 6.447  793  . 27  766  100.0000 . 0.197 . . 0.195 . . . . . 0.202 . 20 . 0.988 0.966 0.267 
'X-RAY DIFFRACTION' 6.447 25.532 495  . 26  466  99.3939  . 0.231 . . 0.231 . . . . . 0.247 . 20 . 0.970 0.975 0.223 
# 
_struct.entry_id                     9AWC 
_struct.title                        'Crystal structure of trypsin at 175 Kelvin with benzamidine (duplicate)' 
_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        9AWC 
_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              9AWC 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 223 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00760 
_struct_ref_seq.db_align_beg                  24 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  246 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       223 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0 
_pdbx_struct_oper_list.matrix[1][2]         0.0 
_pdbx_struct_oper_list.matrix[1][3]         0.0 
_pdbx_struct_oper_list.vector[1]            0.0 
_pdbx_struct_oper_list.matrix[2][1]         0.0 
_pdbx_struct_oper_list.matrix[2][2]         1.0 
_pdbx_struct_oper_list.matrix[2][3]         0.0 
_pdbx_struct_oper_list.vector[2]            0.0 
_pdbx_struct_oper_list.matrix[3][1]         0.0 
_pdbx_struct_oper_list.matrix[3][2]         0.0 
_pdbx_struct_oper_list.matrix[3][3]         1.0 
_pdbx_struct_oper_list.vector[3]            0.0 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ALA A 38  ? TYR A 42  ? ALA A 38  TYR A 42  5 ? 5  
HELX_P HELX_P2 AA2 SER A 144 ? TYR A 152 ? SER A 144 TYR A 152 1 ? 9  
HELX_P HELX_P3 AA3 TYR A 212 ? ASN A 223 ? TYR A 212 ASN A 223 1 ? 12 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 7   SG  ? ? ? 1_555 A CYS 137 SG ? ? A CYS 7   A CYS 137 1_555 ? ? ? ? ? ? ? 2.062 ? ? 
disulf2 disulf ? ? A CYS 25  SG  ? ? ? 1_555 A CYS 41  SG ? ? A CYS 25  A CYS 41  1_555 ? ? ? ? ? ? ? 1.995 ? ? 
disulf3 disulf ? ? A CYS 109 SG  ? ? ? 1_555 A CYS 210 SG ? ? A CYS 109 A CYS 210 1_555 ? ? ? ? ? ? ? 2.084 ? ? 
disulf4 disulf ? ? A CYS 116 SG  ? ? ? 1_555 A CYS 183 SG ? ? A CYS 116 A CYS 183 1_555 ? ? ? ? ? ? ? 2.012 ? ? 
disulf5 disulf ? ? A CYS 148 SG  ? ? ? 1_555 A CYS 162 SG ? ? A CYS 148 A CYS 162 1_555 ? ? ? ? ? ? ? 1.914 ? ? 
disulf6 disulf ? ? A CYS 173 SG  ? ? ? 1_555 A CYS 197 SG ? ? A CYS 173 A CYS 197 1_555 ? ? ? ? ? ? ? 2.016 ? ? 
metalc1 metalc ? ? A GLU 52  OE1 ? ? ? 1_555 B CA  .   CA ? ? A GLU 52  A CA  301 1_555 ? ? ? ? ? ? ? 2.150 ? ? 
metalc2 metalc ? ? A ASN 54  O   ? ? ? 1_555 B CA  .   CA ? ? A ASN 54  A CA  301 1_555 ? ? ? ? ? ? ? 2.271 ? ? 
metalc3 metalc ? ? A VAL 57  O   ? ? ? 1_555 B CA  .   CA ? ? A VAL 57  A CA  301 1_555 ? ? ? ? ? ? ? 2.184 ? ? 
metalc4 metalc ? ? A GLU 62  OE2 ? ? ? 1_555 B CA  .   CA ? ? A GLU 62  A CA  301 1_555 ? ? ? ? ? ? ? 2.329 ? ? 
metalc5 metalc ? ? B CA  .   CA  ? ? ? 1_555 D HOH .   O  ? ? A CA  301 A HOH 409 1_555 ? ? ? ? ? ? ? 2.455 ? ? 
metalc6 metalc ? ? B CA  .   CA  ? ? ? 1_555 D HOH .   O  ? ? A CA  301 A HOH 519 1_555 ? ? ? ? ? ? ? 2.396 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A ASN 54 ? A ASN 54  ? 1_555 93.2  ? 
2  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57  ? 1_555 167.8 ? 
3  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57  ? 1_555 81.5  ? 
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_555 100.1 ? 
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_555 160.2 ? 
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 88.0  ? 
7  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 409 ? 1_555 85.3  ? 
8  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 409 ? 1_555 89.5  ? 
9  O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 409 ? 1_555 105.6 ? 
10 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 409 ? 1_555 77.2  ? 
11 OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 519 ? 1_555 80.3  ? 
12 O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 519 ? 1_555 104.2 ? 
13 O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 519 ? 1_555 90.3  ? 
14 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 519 ? 1_555 92.5  ? 
15 O   ? D HOH .  ? A HOH 409 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 519 ? 1_555 160.5 ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 7   ? CYS A 137 ? CYS A 7   ? 1_555 CYS A 137 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 25  ? CYS A 41  ? CYS A 25  ? 1_555 CYS A 41  ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 109 ? CYS A 210 ? CYS A 109 ? 1_555 CYS A 210 ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 116 ? CYS A 183 ? CYS A 116 ? 1_555 CYS A 183 ? 1_555 SG SG . . . None 'Disulfide bridge' 
5 CYS A 148 ? CYS A 162 ? CYS A 148 ? 1_555 CYS A 162 ? 1_555 SG SG . . . None 'Disulfide bridge' 
6 CYS A 173 ? CYS A 197 ? CYS A 173 ? 1_555 CYS A 197 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 7 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA2 6 7 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 TYR A 5   ? THR A 6   ? TYR A 5   THR A 6   
AA1 2 LYS A 136 ? PRO A 141 ? LYS A 136 PRO A 141 
AA1 3 GLN A 115 ? GLY A 120 ? GLN A 115 GLY A 120 
AA1 4 PRO A 180 ? CYS A 183 ? PRO A 180 CYS A 183 
AA1 5 LYS A 186 ? TRP A 193 ? LYS A 186 TRP A 193 
AA1 6 GLY A 204 ? LYS A 208 ? GLY A 204 LYS A 208 
AA1 7 MET A 160 ? ALA A 163 ? MET A 160 ALA A 163 
AA2 1 GLN A 15  ? ASN A 19  ? GLN A 15  ASN A 19  
AA2 2 HIS A 23  ? ASN A 31  ? HIS A 23  ASN A 31  
AA2 3 TRP A 34  ? SER A 37  ? TRP A 34  SER A 37  
AA2 4 MET A 86  ? LEU A 90  ? MET A 86  LEU A 90  
AA2 5 GLN A 63  ? VAL A 72  ? GLN A 63  VAL A 72  
AA2 6 GLN A 47  ? LEU A 50  ? GLN A 47  LEU A 50  
AA2 7 GLN A 15  ? ASN A 19  ? GLN A 15  ASN A 19  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N TYR A 5   ? N TYR A 5   O CYS A 137 ? O CYS A 137 
AA1 2 3 O LEU A 138 ? O LEU A 138 N ILE A 118 ? N ILE A 118 
AA1 3 4 N LEU A 117 ? N LEU A 117 O VAL A 182 ? O VAL A 182 
AA1 4 5 N CYS A 183 ? N CYS A 183 O LYS A 186 ? O LYS A 186 
AA1 5 6 N TRP A 193 ? N TRP A 193 O VAL A 205 ? O VAL A 205 
AA1 6 7 O TYR A 206 ? O TYR A 206 N PHE A 161 ? N PHE A 161 
AA2 1 2 N LEU A 18  ? N LEU A 18  O CYS A 25  ? O CYS A 25  
AA2 2 3 N SER A 28  ? N SER A 28  O VAL A 36  ? O VAL A 36  
AA2 3 4 N VAL A 35  ? N VAL A 35  O ILE A 88  ? O ILE A 88  
AA2 4 5 O LYS A 89  ? O LYS A 89  N SER A 68  ? N SER A 68  
AA2 5 6 O GLN A 63  ? O GLN A 63  N LEU A 50  ? N LEU A 50  
AA2 6 7 O GLN A 47  ? O GLN A 47  N ASN A 19  ? N ASN A 19  
# 
_pdbx_entry_details.entry_id                   9AWC 
_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 598 ? ? O A HOH 663 ? ? 1.98 
2 1 OE2 A GLU 167 ? ? O A HOH 401 ? ? 2.09 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASP A 53  ? ? -121.94 -80.07 
2 1 ALA A 112 ? ? -37.79  134.55 
3 1 GLN A 174 ? ? -38.83  129.61 
4 1 SER A 192 ? ? -123.23 -61.63 
# 
_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            0.084 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 719 ? 5.85 . 
2 1 O ? A HOH 720 ? 5.90 . 
3 1 O ? A HOH 721 ? 6.02 . 
4 1 O ? A HOH 722 ? 6.28 . 
5 1 O ? A HOH 723 ? 6.64 . 
# 
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                    9AWC 
_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]   0.018373 
_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]   0.017155 
_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]   0.015031 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C  6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651  0.216   
CA 20 20 8.627  10.442 7.387 0.660  1.590 85.748 1.021 178.437 1.375   
H  1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800  0.003   
N  7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583   -11.538 
O  8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909  0.251   
S  16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172  0.867   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
ATOM   1    N  N   . ILE A 1 1   ? 7.988   9.481   13.353  1.000 9.568  0 1   ILE A N   1 ? 
ATOM   2    C  CA  . ILE A 1 1   ? 8.058   8.562   14.528  1.000 9.310  0 1   ILE A CA  1 ? 
ATOM   3    C  C   . ILE A 1 1   ? 9.339   8.840   15.296  1.000 10.120 0 1   ILE A C   1 ? 
ATOM   4    O  O   . ILE A 1 1   ? 10.433  8.750   14.739  1.000 10.836 0 1   ILE A O   1 ? 
ATOM   5    C  CB  . ILE A 1 1   ? 7.995   7.086   14.080  1.000 9.920  0 1   ILE A CB  1 ? 
ATOM   6    C  CG1 . ILE A 1 1   ? 6.771   6.788   13.201  1.000 8.925  0 1   ILE A CG1 1 ? 
ATOM   7    C  CG2 . ILE A 1 1   ? 8.050   6.193   15.306  1.000 10.445 0 1   ILE A CG2 1 ? 
ATOM   8    C  CD1 . ILE A 1 1   ? 5.389   6.786   13.846  1.000 8.826  0 1   ILE A CD1 1 ? 
ATOM   9    N  N   . VAL A 1 2   ? 9.171   9.160   16.577  1.000 10.406 0 2   VAL A N   1 ? 
ATOM   10   C  CA  . VAL A 1 2   ? 10.286  9.381   17.506  1.000 10.607 0 2   VAL A CA  1 ? 
ATOM   11   C  C   . VAL A 1 2   ? 10.458  8.127   18.345  1.000 10.271 0 2   VAL A C   1 ? 
ATOM   12   O  O   . VAL A 1 2   ? 9.522   7.626   18.940  1.000 10.465 0 2   VAL A O   1 ? 
ATOM   13   C  CB  . VAL A 1 2   ? 10.037  10.619  18.394  1.000 11.059 0 2   VAL A CB  1 ? 
ATOM   14   C  CG1 . VAL A 1 2   ? 11.170  10.871  19.391  1.000 12.610 0 2   VAL A CG1 1 ? 
ATOM   15   C  CG2 . VAL A 1 2   ? 9.798   11.870  17.538  1.000 11.251 0 2   VAL A CG2 1 ? 
ATOM   16   N  N   . GLY A 1 3   ? 11.698  7.664   18.452  1.000 10.381 0 3   GLY A N   1 ? 
ATOM   17   C  CA  . GLY A 1 3   ? 11.970  6.536   19.338  1.000 11.294 0 3   GLY A CA  1 ? 
ATOM   18   C  C   . GLY A 1 3   ? 11.451  5.185   18.826  1.000 11.359 0 3   GLY A C   1 ? 
ATOM   19   O  O   . GLY A 1 3   ? 11.343  4.256   19.620  1.000 12.464 0 3   GLY A O   1 ? 
ATOM   20   N  N   . GLY A 1 4   ? 11.271  5.055   17.502  1.000 10.277 0 4   GLY A N   1 ? 
ATOM   21   C  CA  . GLY A 1 4   ? 10.831  3.818   16.867  1.000 11.582 0 4   GLY A CA  1 ? 
ATOM   22   C  C   . GLY A 1 4   ? 11.993  3.066   16.232  1.000 11.524 0 4   GLY A C   1 ? 
ATOM   23   O  O   . GLY A 1 4   ? 13.153  3.253   16.622  1.000 13.122 0 4   GLY A O   1 ? 
ATOM   24   N  N   . TYR A 1 5   ? 11.656  2.224   15.244  1.000 11.678 0 5   TYR A N   1 ? 
ATOM   25   C  CA  . TYR A 1 5   ? 12.603  1.353   14.565  1.000 12.753 0 5   TYR A CA  1 ? 
ATOM   26   C  C   . TYR A 1 5   ? 12.254  1.350   13.081  1.000 12.572 0 5   TYR A C   1 ? 
ATOM   27   O  O   . TYR A 1 5   ? 11.131  1.648   12.694  1.000 11.826 0 5   TYR A O   1 ? 
ATOM   28   C  CB  . TYR A 1 5   ? 12.567  -0.044  15.194  1.000 12.533 0 5   TYR A CB  1 ? 
ATOM   29   C  CG  . TYR A 1 5   ? 11.222  -0.732  15.070  1.000 10.988 0 5   TYR A CG  1 ? 
ATOM   30   C  CD1 . TYR A 1 5   ? 10.221  -0.471  15.993  1.000 10.824 0 5   TYR A CD1 1 ? 
ATOM   31   C  CD2 . TYR A 1 5   ? 10.968  -1.689  14.096  1.000 11.364 0 5   TYR A CD2 1 ? 
ATOM   32   C  CE1 . TYR A 1 5   ? 8.998   -1.115  15.935  1.000 12.109 0 5   TYR A CE1 1 ? 
ATOM   33   C  CE2 . TYR A 1 5   ? 9.739   -2.338  14.029  1.000 11.950 0 5   TYR A CE2 1 ? 
ATOM   34   C  CZ  . TYR A 1 5   ? 8.739   -2.010  14.921  1.000 11.556 0 5   TYR A CZ  1 ? 
ATOM   35   O  OH  . TYR A 1 5   ? 7.510   -2.583  14.850  1.000 12.523 0 5   TYR A OH  1 ? 
ATOM   36   N  N   . THR A 1 6   ? 13.193  0.958   12.232  1.000 11.786 0 6   THR A N   1 ? 
ATOM   37   C  CA  . THR A 1 6   ? 12.974  0.810   10.807  1.000 11.595 0 6   THR A CA  1 ? 
ATOM   38   C  C   . THR A 1 6   ? 12.075  -0.399  10.591  1.000 12.137 0 6   THR A C   1 ? 
ATOM   39   O  O   . THR A 1 6   ? 12.389  -1.520  10.989  1.000 11.838 0 6   THR A O   1 ? 
ATOM   40   C  CB  . THR A 1 6   ? 14.336  0.638   10.118  1.000 11.855 0 6   THR A CB  1 ? 
ATOM   41   O  OG1 . THR A 1 6   ? 15.037  1.869   10.235  1.000 14.822 0 6   THR A OG1 1 ? 
ATOM   42   C  CG2 . THR A 1 6   ? 14.222  0.323   8.638   1.000 11.365 0 6   THR A CG2 1 ? 
ATOM   43   N  N   . CYS A 1 7   ? 10.907  -0.198  9.992   1.000 11.483 0 7   CYS A N   1 ? 
ATOM   44   C  CA  . CYS A 1 7   ? 9.903   -1.236  9.870   1.000 10.697 0 7   CYS A CA  1 ? 
ATOM   45   C  C   . CYS A 1 7   ? 10.447  -2.439  9.106   1.000 10.630 0 7   CYS A C   1 ? 
ATOM   46   O  O   . CYS A 1 7   ? 10.205  -3.583  9.467   1.000 12.091 0 7   CYS A O   1 ? 
ATOM   47   C  CB  . CYS A 1 7   ? 8.710   -0.725  9.071   1.000 10.795 0 7   CYS A CB  1 ? 
ATOM   48   S  SG  . CYS A 1 7   ? 7.777   0.631   9.842   1.000 10.243 0 7   CYS A SG  1 ? 
ATOM   49   N  N   . GLY A 1 8   ? 11.139  -2.114  8.014   1.000 10.760 0 8   GLY A N   1 ? 
ATOM   50   C  CA  . GLY A 1 8   ? 11.469  -3.058  6.965   1.000 11.111 0 8   GLY A CA  1 ? 
ATOM   51   C  C   . GLY A 1 8   ? 10.587  -2.872  5.750   1.000 10.957 0 8   GLY A C   1 ? 
ATOM   52   O  O   . GLY A 1 8   ? 9.377   -2.686  5.870   1.000 11.361 0 8   GLY A O   1 ? 
ATOM   53   N  N   . ALA A 1 9   ? 11.192  -3.043  4.566   1.000 11.726 0 9   ALA A N   1 ? 
ATOM   54   C  CA  . ALA A 1 9   ? 10.519  -2.709  3.308   1.000 12.261 0 9   ALA A CA  1 ? 
ATOM   55   C  C   . ALA A 1 9   ? 9.277   -3.564  3.104   1.000 12.441 0 9   ALA A C   1 ? 
ATOM   56   O  O   . ALA A 1 9   ? 9.341   -4.808  3.181   1.000 13.106 0 9   ALA A O   1 ? 
ATOM   57   C  CB  . ALA A 1 9   ? 11.476  -2.822  2.131   1.000 12.641 0 9   ALA A CB  1 ? 
ATOM   58   N  N   . ASN A 1 10  ? 8.157   -2.831  2.940   1.000 11.434 0 10  ASN A N   1 ? 
ATOM   59   C  CA  . ASN A 1 10  ? 6.865   -3.374  2.568   1.000 12.811 0 10  ASN A CA  1 ? 
ATOM   60   C  C   . ASN A 1 10  ? 6.326   -4.335  3.618   1.000 13.712 0 10  ASN A C   1 ? 
ATOM   61   O  O   . ASN A 1 10  ? 5.485   -5.150  3.268   1.000 14.583 0 10  ASN A O   1 ? 
ATOM   62   C  CB  . ASN A 1 10  ? 6.932   -4.058  1.206   1.000 13.260 0 10  ASN A CB  1 ? 
ATOM   63   C  CG  . ASN A 1 10  ? 7.537   -3.160  0.166   1.000 13.317 0 10  ASN A CG  1 ? 
ATOM   64   O  OD1 . ASN A 1 10  ? 8.637   -3.410  -0.355  1.000 15.328 0 10  ASN A OD1 1 ? 
ATOM   65   N  ND2 . ASN A 1 10  ? 6.820   -2.096  -0.150  1.000 12.872 0 10  ASN A ND2 1 ? 
ATOM   66   N  N   . THR A 1 11  ? 6.744   -4.177  4.885   1.000 12.634 0 11  THR A N   1 ? 
ATOM   67   C  CA  . THR A 1 11  ? 6.215   -4.971  5.996   1.000 12.357 0 11  THR A CA  1 ? 
ATOM   68   C  C   . THR A 1 11  ? 4.922   -4.408  6.560   1.000 11.787 0 11  THR A C   1 ? 
ATOM   69   O  O   . THR A 1 11  ? 4.301   -5.030  7.424   1.000 13.456 0 11  THR A O   1 ? 
ATOM   70   C  CB  . THR A 1 11  ? 7.247   -5.096  7.119   1.000 13.211 0 11  THR A CB  1 ? 
ATOM   71   O  OG1 . THR A 1 11  ? 7.610   -3.810  7.609   1.000 11.919 0 11  THR A OG1 1 ? 
ATOM   72   C  CG2 . THR A 1 11  ? 8.510   -5.781  6.632   1.000 13.226 0 11  THR A CG2 1 ? 
ATOM   73   N  N   . VAL A 1 12  ? 4.564   -3.204  6.110   1.000 10.561 0 12  VAL A N   1 ? 
ATOM   74   C  CA  . VAL A 1 12  ? 3.347   -2.537  6.544   1.000 10.355 0 12  VAL A CA  1 ? 
ATOM   75   C  C   . VAL A 1 12  ? 2.559   -2.226  5.269   1.000 10.405 0 12  VAL A C   1 ? 
ATOM   76   O  O   . VAL A 1 12  ? 2.584   -1.105  4.750   1.000 9.279  0 12  VAL A O   1 ? 
ATOM   77   C  CB  . VAL A 1 12  ? 3.647   -1.253  7.355   1.000 10.885 0 12  VAL A CB  1 ? 
ATOM   78   C  CG1 . VAL A 1 12  ? 2.381   -0.658  7.953   1.000 10.960 0 12  VAL A CG1 1 ? 
ATOM   79   C  CG2 . VAL A 1 12  ? 4.688   -1.450  8.448   1.000 11.744 0 12  VAL A CG2 1 ? 
ATOM   80   N  N   . PRO A 1 13  ? 1.914   -3.244  4.662   1.000 11.119 0 13  PRO A N   1 ? 
ATOM   81   C  CA  . PRO A 1 13  ? 1.528   -3.157  3.255   1.000 11.085 0 13  PRO A CA  1 ? 
ATOM   82   C  C   . PRO A 1 13  ? 0.338   -2.245  2.983   1.000 10.354 0 13  PRO A C   1 ? 
ATOM   83   O  O   . PRO A 1 13  ? 0.091   -1.921  1.838   1.000 8.778  0 13  PRO A O   1 ? 
ATOM   84   C  CB  . PRO A 1 13  ? 1.284   -4.635  2.874   1.000 12.047 0 13  PRO A CB  1 ? 
ATOM   85   C  CG  . PRO A 1 13  ? 0.892   -5.273  4.165   1.000 13.299 0 13  PRO A CG  1 ? 
ATOM   86   C  CD  . PRO A 1 13  ? 1.698   -4.573  5.245   1.000 12.416 0 13  PRO A CD  1 ? 
ATOM   87   N  N   . TYR A 1 14  ? -0.330  -1.829  4.069   1.000 10.899 0 14  TYR A N   1 ? 
ATOM   88   C  CA  . TYR A 1 14  ? -1.467  -0.926  4.002   1.000 10.339 0 14  TYR A CA  1 ? 
ATOM   89   C  C   . TYR A 1 14  ? -1.056  0.540   4.198   1.000 10.326 0 14  TYR A C   1 ? 
ATOM   90   O  O   . TYR A 1 14  ? -1.870  1.428   4.038   1.000 9.714  0 14  TYR A O   1 ? 
ATOM   91   C  CB  . TYR A 1 14  ? -2.553  -1.242  5.047   1.000 10.008 0 14  TYR A CB  1 ? 
ATOM   92   C  CG  . TYR A 1 14  ? -1.940  -1.402  6.440   1.000 9.720  0 14  TYR A CG  1 ? 
ATOM   93   C  CD1 . TYR A 1 14  ? -1.705  -0.307  7.272   1.000 9.687  0 14  TYR A CD1 1 ? 
ATOM   94   C  CD2 . TYR A 1 14  ? -1.522  -2.651  6.859   1.000 10.480 0 14  TYR A CD2 1 ? 
ATOM   95   C  CE1 . TYR A 1 14  ? -1.094  -0.466  8.505   1.000 8.880  0 14  TYR A CE1 1 ? 
ATOM   96   C  CE2 . TYR A 1 14  ? -0.913  -2.829  8.088   1.000 10.023 0 14  TYR A CE2 1 ? 
ATOM   97   C  CZ  . TYR A 1 14  ? -0.659  -1.728  8.900   1.000 9.706  0 14  TYR A CZ  1 ? 
ATOM   98   O  OH  . TYR A 1 14  ? -0.028  -1.813  10.130  1.000 9.606  0 14  TYR A OH  1 ? 
ATOM   99   N  N   . GLN A 1 15  ? 0.222   0.817   4.497   1.000 8.872  0 15  GLN A N   1 ? 
ATOM   100  C  CA  . GLN A 1 15  ? 0.706   2.165   4.732   1.000 9.471  0 15  GLN A CA  1 ? 
ATOM   101  C  C   . GLN A 1 15  ? 0.846   2.886   3.396   1.000 9.392  0 15  GLN A C   1 ? 
ATOM   102  O  O   . GLN A 1 15  ? 1.511   2.380   2.483   1.000 9.508  0 15  GLN A O   1 ? 
ATOM   103  C  CB  . GLN A 1 15  ? 2.069   2.114   5.408   1.000 9.374  0 15  GLN A CB  1 ? 
ATOM   104  C  CG  . GLN A 1 15  ? 2.744   3.479   5.552   1.000 8.938  0 15  GLN A CG  1 ? 
ATOM   105  C  CD  . GLN A 1 15  ? 2.246   4.318   6.709   1.000 9.614  0 15  GLN A CD  1 ? 
ATOM   106  O  OE1 . GLN A 1 15  ? 2.231   3.911   7.874   1.000 10.654 0 15  GLN A OE1 1 ? 
ATOM   107  N  NE2 . GLN A 1 15  ? 1.860   5.543   6.413   1.000 9.995  0 15  GLN A NE2 1 ? 
ATOM   108  N  N   . VAL A 1 16  ? 0.277   4.090   3.296   1.000 9.456  0 16  VAL A N   1 ? 
ATOM   109  C  CA  . VAL A 1 16  ? 0.420   4.886   2.083   1.000 10.462 0 16  VAL A CA  1 ? 
ATOM   110  C  C   . VAL A 1 16  ? 1.096   6.212   2.444   1.000 9.753  0 16  VAL A C   1 ? 
ATOM   111  O  O   . VAL A 1 16  ? 1.050   6.688   3.595   1.000 8.172  0 16  VAL A O   1 ? 
ATOM   112  C  CB  . VAL A 1 16  ? -0.876  5.135   1.293   1.000 14.939 0 16  VAL A CB  1 ? 
ATOM   113  C  CG1 . VAL A 1 16  ? -1.767  3.894   1.159   1.000 16.874 0 16  VAL A CG1 1 ? 
ATOM   114  C  CG2 . VAL A 1 16  ? -1.672  6.256   1.861   1.000 16.471 0 16  VAL A CG2 1 ? 
ATOM   115  N  N   . SER A 1 17  ? 1.745   6.811   1.447   1.000 9.650  0 17  SER A N   1 ? 
ATOM   116  C  CA  . SER A 1 17  ? 2.214   8.179   1.497   1.000 8.969  0 17  SER A CA  1 ? 
ATOM   117  C  C   . SER A 1 17  ? 1.319   9.048   0.610   1.000 9.675  0 17  SER A C   1 ? 
ATOM   118  O  O   . SER A 1 17  ? 1.047   8.662   -0.537  1.000 10.053 0 17  SER A O   1 ? 
ATOM   119  C  CB  . SER A 1 17  ? 3.672   8.257   1.099   1.000 9.031  0 17  SER A CB  1 ? 
ATOM   120  O  OG  . SER A 1 17  ? 4.080   9.587   0.879   1.000 9.153  0 17  SER A OG  1 ? 
ATOM   121  N  N   . LEU A 1 18  ? 0.892   10.189  1.146   1.000 8.831  0 18  LEU A N   1 ? 
ATOM   122  C  CA  . LEU A 1 18  ? 0.182   11.214  0.420   1.000 9.152  0 18  LEU A CA  1 ? 
ATOM   123  C  C   . LEU A 1 18  ? 1.240   12.205  -0.059  1.000 9.864  0 18  LEU A C   1 ? 
ATOM   124  O  O   . LEU A 1 18  ? 1.980   12.748  0.762   1.000 9.643  0 18  LEU A O   1 ? 
ATOM   125  C  CB  . LEU A 1 18  ? -0.905  11.877  1.269   1.000 9.647  0 18  LEU A CB  1 ? 
ATOM   126  C  CG  . LEU A 1 18  ? -1.945  10.934  1.887   1.000 11.141 0 18  LEU A CG  1 ? 
ATOM   127  C  CD1 . LEU A 1 18  ? -3.021  11.764  2.568   1.000 12.178 0 18  LEU A CD1 1 ? 
ATOM   128  C  CD2 . LEU A 1 18  ? -2.633  9.979   0.947   1.000 10.003 0 18  LEU A CD2 1 ? 
ATOM   129  N  N   . ASN A 1 19  ? 1.261   12.410  -1.385  1.000 9.839  0 19  ASN A N   1 ? 
ATOM   130  C  CA  . ASN A 1 19  ? 2.242   13.223  -2.069  1.000 10.299 0 19  ASN A CA  1 ? 
ATOM   131  C  C   . ASN A 1 19  ? 1.578   14.379  -2.842  1.000 10.235 0 19  ASN A C   1 ? 
ATOM   132  O  O   . ASN A 1 19  ? 0.723   14.133  -3.695  1.000 9.683  0 19  ASN A O   1 ? 
ATOM   133  C  CB  . ASN A 1 19  ? 3.068   12.360  -3.006  1.000 10.558 0 19  ASN A CB  1 ? 
ATOM   134  C  CG  . ASN A 1 19  ? 4.266   13.062  -3.580  1.000 10.211 0 19  ASN A CG  1 ? 
ATOM   135  O  OD1 . ASN A 1 19  ? 4.140   13.876  -4.521  1.000 10.481 0 19  ASN A OD1 1 ? 
ATOM   136  N  ND2 . ASN A 1 19  ? 5.446   12.758  -3.039  1.000 10.865 0 19  ASN A ND2 1 ? 
ATOM   137  N  N   . SER A 1 20  ? 2.054   15.616  -2.628  1.000 10.344 0 20  SER A N   1 ? 
ATOM   138  C  CA  . SER A 1 20  ? 1.627   16.763  -3.421  1.000 11.754 0 20  SER A CA  1 ? 
ATOM   139  C  C   . SER A 1 20  ? 2.844   17.494  -3.998  1.000 12.602 0 20  SER A C   1 ? 
ATOM   140  O  O   . SER A 1 20  ? 2.962   18.705  -3.874  1.000 14.153 0 20  SER A O   1 ? 
ATOM   141  C  CB  . SER A 1 20  ? 0.792   17.681  -2.544  1.000 12.245 0 20  SER A CB  1 ? 
ATOM   142  O  OG  . SER A 1 20  ? 1.553   18.260  -1.480  1.000 13.759 0 20  SER A OG  1 ? 
ATOM   143  N  N   . GLY A 1 21  ? 3.814   16.695  -4.470  1.000 11.145 0 21  GLY A N   1 ? 
ATOM   144  C  CA  . GLY A 1 21  ? 5.150   17.160  -4.820  1.000 11.592 0 21  GLY A CA  1 ? 
ATOM   145  C  C   . GLY A 1 21  ? 6.216   16.712  -3.833  1.000 10.973 0 21  GLY A C   1 ? 
ATOM   146  O  O   . GLY A 1 21  ? 7.410   16.839  -4.093  1.000 11.081 0 21  GLY A O   1 ? 
ATOM   147  N  N   . TYR A 1 22  ? 5.783   16.241  -2.636  1.000 10.939 0 22  TYR A N   1 ? 
ATOM   148  C  CA  . TYR A 1 22  ? 6.603   15.787  -1.528  1.000 11.037 0 22  TYR A CA  1 ? 
ATOM   149  C  C   . TYR A 1 22  ? 5.631   15.019  -0.636  1.000 9.627  0 22  TYR A C   1 ? 
ATOM   150  O  O   . TYR A 1 22  ? 4.425   15.281  -0.701  1.000 9.542  0 22  TYR A O   1 ? 
ATOM   151  C  CB  . TYR A 1 22  ? 7.192   16.970  -0.756  1.000 12.324 0 22  TYR A CB  1 ? 
ATOM   152  C  CG  . TYR A 1 22  ? 6.122   18.026  -0.559  1.000 13.975 0 22  TYR A CG  1 ? 
ATOM   153  C  CD1 . TYR A 1 22  ? 5.923   18.965  -1.559  1.000 17.824 0 22  TYR A CD1 1 ? 
ATOM   154  C  CD2 . TYR A 1 22  ? 5.271   18.036  0.545   1.000 15.720 0 22  TYR A CD2 1 ? 
ATOM   155  C  CE1 . TYR A 1 22  ? 4.934   19.913  -1.464  1.000 18.257 0 22  TYR A CE1 1 ? 
ATOM   156  C  CE2 . TYR A 1 22  ? 4.275   18.996  0.655   1.000 15.730 0 22  TYR A CE2 1 ? 
ATOM   157  C  CZ  . TYR A 1 22  ? 4.103   19.920  -0.369  1.000 19.260 0 22  TYR A CZ  1 ? 
ATOM   158  O  OH  . TYR A 1 22  ? 3.116   20.873  -0.383  1.000 26.747 0 22  TYR A OH  1 ? 
ATOM   159  N  N   . HIS A 1 23  ? 6.140   14.102  0.184   1.000 10.832 0 23  HIS A N   1 ? 
ATOM   160  C  CA  . HIS A 1 23  ? 5.366   13.445  1.232   1.000 10.140 0 23  HIS A CA  1 ? 
ATOM   161  C  C   . HIS A 1 23  ? 4.885   14.507  2.219   1.000 10.049 0 23  HIS A C   1 ? 
ATOM   162  O  O   . HIS A 1 23  ? 5.684   15.281  2.709   1.000 11.712 0 23  HIS A O   1 ? 
ATOM   163  C  CB  . HIS A 1 23  ? 6.259   12.446  1.973   1.000 10.496 0 23  HIS A CB  1 ? 
ATOM   164  C  CG  . HIS A 1 23  ? 5.636   11.981  3.232   1.000 10.283 0 23  HIS A CG  1 ? 
ATOM   165  N  ND1 . HIS A 1 23  ? 4.752   10.944  3.185   1.000 10.143 0 23  HIS A ND1 1 ? 
ATOM   166  C  CD2 . HIS A 1 23  ? 5.691   12.414  4.493   1.000 10.826 0 23  HIS A CD2 1 ? 
ATOM   167  C  CE1 . HIS A 1 23  ? 4.287   10.748  4.412   1.000 10.413 0 23  HIS A CE1 1 ? 
ATOM   168  N  NE2 . HIS A 1 23  ? 4.836   11.617  5.236   1.000 10.088 0 23  HIS A NE2 1 ? 
ATOM   169  N  N   . PHE A 1 24  ? 3.575   14.486  2.559   1.000 10.616 0 24  PHE A N   1 ? 
ATOM   170  C  CA  . PHE A 1 24  ? 3.086   15.416  3.546   1.000 10.484 0 24  PHE A CA  1 ? 
ATOM   171  C  C   . PHE A 1 24  ? 2.228   14.743  4.608   1.000 9.525  0 24  PHE A C   1 ? 
ATOM   172  O  O   . PHE A 1 24  ? 1.951   15.356  5.643   1.000 11.118 0 24  PHE A O   1 ? 
ATOM   173  C  CB  . PHE A 1 24  ? 2.348   16.549  2.843   1.000 11.489 0 24  PHE A CB  1 ? 
ATOM   174  C  CG  . PHE A 1 24  ? 1.029   16.144  2.225   1.000 11.127 0 24  PHE A CG  1 ? 
ATOM   175  C  CD1 . PHE A 1 24  ? -0.139  16.173  2.983   1.000 11.633 0 24  PHE A CD1 1 ? 
ATOM   176  C  CD2 . PHE A 1 24  ? 0.920   15.779  0.875   1.000 11.437 0 24  PHE A CD2 1 ? 
ATOM   177  C  CE1 . PHE A 1 24  ? -1.342  15.811  2.411   1.000 11.086 0 24  PHE A CE1 1 ? 
ATOM   178  C  CE2 . PHE A 1 24  ? -0.288  15.436  0.325   1.000 11.893 0 24  PHE A CE2 1 ? 
ATOM   179  C  CZ  . PHE A 1 24  ? -1.432  15.456  1.089   1.000 11.690 0 24  PHE A CZ  1 ? 
ATOM   180  N  N   . CYS A 1 25  ? 1.804   13.510  4.375   1.000 8.810  0 25  CYS A N   1 ? 
ATOM   181  C  CA  . CYS A 1 25  ? 0.920   12.834  5.331   1.000 8.690  0 25  CYS A CA  1 ? 
ATOM   182  C  C   . CYS A 1 25  ? 0.884   11.341  5.011   1.000 7.706  0 25  CYS A C   1 ? 
ATOM   183  O  O   . CYS A 1 25  ? 1.201   10.884  3.916   1.000 9.537  0 25  CYS A O   1 ? 
ATOM   184  C  CB  . CYS A 1 25  ? -0.517  13.343  5.315   1.000 9.618  0 25  CYS A CB  1 ? 
ATOM   185  S  SG  . CYS A 1 25  ? -0.918  14.742  6.428   1.000 9.440  0 25  CYS A SG  1 ? 
ATOM   186  N  N   . GLY A 1 26  ? 0.545   10.560  6.025   1.000 9.371  0 26  GLY A N   1 ? 
ATOM   187  C  CA  . GLY A 1 26  ? 0.236   9.166   5.861   1.000 8.977  0 26  GLY A CA  1 ? 
ATOM   188  C  C   . GLY A 1 26  ? -1.228  8.880   5.559   1.000 8.341  0 26  GLY A C   1 ? 
ATOM   189  O  O   . GLY A 1 26  ? -2.056  9.760   5.644   1.000 8.796  0 26  GLY A O   1 ? 
ATOM   190  N  N   . GLY A 1 27  ? -1.473  7.595   5.277   1.000 8.181  0 27  GLY A N   1 ? 
ATOM   191  C  CA  . GLY A 1 27  ? -2.839  7.117   5.205   1.000 7.501  0 27  GLY A CA  1 ? 
ATOM   192  C  C   . GLY A 1 27  ? -2.834  5.597   5.257   1.000 8.171  0 27  GLY A C   1 ? 
ATOM   193  O  O   . GLY A 1 27  ? -1.747  5.026   5.330   1.000 8.667  0 27  GLY A O   1 ? 
ATOM   194  N  N   . SER A 1 28  ? -4.015  4.999   5.211   1.000 8.253  0 28  SER A N   1 ? 
ATOM   195  C  CA  . SER A 1 28  ? -4.183  3.555   5.242   1.000 8.974  0 28  SER A CA  1 ? 
ATOM   196  C  C   . SER A 1 28  ? -5.079  3.125   4.082   1.000 10.019 0 28  SER A C   1 ? 
ATOM   197  O  O   . SER A 1 28  ? -6.174  3.641   3.862   1.000 10.306 0 28  SER A O   1 ? 
ATOM   198  C  CB  . SER A 1 28  ? -4.725  3.043   6.573   1.000 10.408 0 28  SER A CB  1 ? 
ATOM   199  O  OG  . SER A 1 28  ? -4.011  3.558   7.697   1.000 10.679 0 28  SER A OG  1 ? 
ATOM   200  N  N   . LEU A 1 29  ? -4.679  2.090   3.399   1.000 8.764  0 29  LEU A N   1 ? 
ATOM   201  C  CA  . LEU A 1 29  ? -5.475  1.491   2.337   1.000 9.871  0 29  LEU A CA  1 ? 
ATOM   202  C  C   . LEU A 1 29  ? -6.507  0.551   2.958   1.000 10.822 0 29  LEU A C   1 ? 
ATOM   203  O  O   . LEU A 1 29  ? -6.107  -0.387  3.648   1.000 10.097 0 29  LEU A O   1 ? 
ATOM   204  C  CB  . LEU A 1 29  ? -4.568  0.700   1.397   1.000 10.781 0 29  LEU A CB  1 ? 
ATOM   205  C  CG  . LEU A 1 29  ? -5.222  0.235   0.096   1.000 11.567 0 29  LEU A CG  1 ? 
ATOM   206  C  CD1 . LEU A 1 29  ? -5.604  1.397   -0.806  1.000 11.908 0 29  LEU A CD1 1 ? 
ATOM   207  C  CD2 . LEU A 1 29  ? -4.358  -0.768  -0.669  1.000 13.198 0 29  LEU A CD2 1 ? 
ATOM   208  N  N   . ILE A 1 30  ? -7.817  0.805   2.717   1.000 11.133 0 30  ILE A N   1 ? 
ATOM   209  C  CA  . ILE A 1 30  ? -8.854  -0.022  3.345   1.000 13.212 0 30  ILE A CA  1 ? 
ATOM   210  C  C   . ILE A 1 30  ? -9.612  -0.892  2.340   1.000 13.571 0 30  ILE A C   1 ? 
ATOM   211  O  O   . ILE A 1 30  ? -10.362 -1.777  2.765   1.000 16.366 0 30  ILE A O   1 ? 
ATOM   212  C  CB  . ILE A 1 30  ? -9.784  0.819   4.231   1.000 16.362 0 30  ILE A CB  1 ? 
ATOM   213  C  CG1 . ILE A 1 30  ? -10.502 1.927   3.487   1.000 17.884 0 30  ILE A CG1 1 ? 
ATOM   214  C  CG2 . ILE A 1 30  ? -9.005  1.366   5.426   1.000 16.216 0 30  ILE A CG2 1 ? 
ATOM   215  C  CD1 . ILE A 1 30  ? -11.661 2.500   4.281   1.000 17.055 0 30  ILE A CD1 1 ? 
ATOM   216  N  N   . ASN A 1 31  ? -9.404  -0.647  1.041   1.000 14.794 0 31  ASN A N   1 ? 
ATOM   217  C  CA  . ASN A 1 31  ? -9.777  -1.571  -0.024  1.000 16.616 0 31  ASN A CA  1 ? 
ATOM   218  C  C   . ASN A 1 31  ? -9.069  -1.126  -1.292  1.000 15.856 0 31  ASN A C   1 ? 
ATOM   219  O  O   . ASN A 1 31  ? -8.291  -0.171  -1.296  1.000 15.783 0 31  ASN A O   1 ? 
ATOM   220  C  CB  . ASN A 1 31  ? -11.288 -1.709  -0.176  1.000 19.708 0 31  ASN A CB  1 ? 
ATOM   221  C  CG  . ASN A 1 31  ? -11.965 -0.460  -0.696  1.000 23.157 0 31  ASN A CG  1 ? 
ATOM   222  O  OD1 . ASN A 1 31  ? -11.427 0.242   -1.542  1.000 23.882 0 31  ASN A OD1 1 ? 
ATOM   223  N  ND2 . ASN A 1 31  ? -13.182 -0.193  -0.254  1.000 28.445 0 31  ASN A ND2 1 ? 
ATOM   224  N  N   . SER A 1 32  ? -9.306  -1.797  -2.414  1.000 15.348 0 32  SER A N   1 ? 
ATOM   225  C  CA  . SER A 1 32  ? -8.484  -1.487  -3.556  1.000 14.869 0 32  SER A CA  1 ? 
ATOM   226  C  C   . SER A 1 32  ? -8.652  -0.053  -4.037  1.000 13.667 0 32  SER A C   1 ? 
ATOM   227  O  O   . SER A 1 32  ? -7.834  0.404   -4.816  1.000 14.844 0 32  SER A O   1 ? 
ATOM   228  C  CB  . SER A 1 32  ? -8.737  -2.435  -4.718  1.000 14.640 0 32  SER A CB  1 ? 
ATOM   229  O  OG  . SER A 1 32  ? -10.072 -2.251  -5.149  1.000 16.560 0 32  SER A OG  1 ? 
ATOM   230  N  N   . GLN A 1 33  ? -9.747  0.630   -3.704  1.000 15.750 0 33  GLN A N   1 ? 
ATOM   231  C  CA  . GLN A 1 33  ? -9.959  1.944   -4.296  1.000 14.335 0 33  GLN A CA  1 ? 
ATOM   232  C  C   . GLN A 1 33  ? -10.055 3.058   -3.241  1.000 11.893 0 33  GLN A C   1 ? 
ATOM   233  O  O   . GLN A 1 33  ? -10.339 4.185   -3.621  1.000 14.230 0 33  GLN A O   1 ? 
ATOM   234  C  CB  . GLN A 1 33  ? -11.252 2.047   -5.112  1.000 17.647 0 33  GLN A CB  1 ? 
ATOM   235  C  CG  . GLN A 1 33  ? -11.379 1.059   -6.257  1.000 23.149 0 33  GLN A CG  1 ? 
ATOM   236  C  CD  . GLN A 1 33  ? -12.691 1.244   -6.981  1.000 24.309 0 33  GLN A CD  1 ? 
ATOM   237  O  OE1 . GLN A 1 33  ? -13.743 0.693   -6.630  1.000 35.530 0 33  GLN A OE1 1 ? 
ATOM   238  N  NE2 . GLN A 1 33  ? -12.629 2.069   -7.991  1.000 25.532 0 33  GLN A NE2 1 ? 
ATOM   239  N  N   . TRP A 1 34  ? -9.873  2.761   -1.953  1.000 11.289 0 34  TRP A N   1 ? 
ATOM   240  C  CA  . TRP A 1 34  ? -10.082 3.797   -0.939  1.000 10.794 0 34  TRP A CA  1 ? 
ATOM   241  C  C   . TRP A 1 34  ? -8.976  3.823   0.099   1.000 11.164 0 34  TRP A C   1 ? 
ATOM   242  O  O   . TRP A 1 34  ? -8.553  2.776   0.561   1.000 10.277 0 34  TRP A O   1 ? 
ATOM   243  C  CB  . TRP A 1 34  ? -11.399 3.594   -0.201  1.000 11.594 0 34  TRP A CB  1 ? 
ATOM   244  C  CG  . TRP A 1 34  ? -12.616 3.841   -1.038  1.000 12.020 0 34  TRP A CG  1 ? 
ATOM   245  C  CD1 . TRP A 1 34  ? -13.259 2.934   -1.839  1.000 12.689 0 34  TRP A CD1 1 ? 
ATOM   246  C  CD2 . TRP A 1 34  ? -13.336 5.081   -1.144  1.000 12.248 0 34  TRP A CD2 1 ? 
ATOM   247  N  NE1 . TRP A 1 34  ? -14.318 3.540   -2.454  1.000 13.297 0 34  TRP A NE1 1 ? 
ATOM   248  C  CE2 . TRP A 1 34  ? -14.405 4.847   -2.031  1.000 12.630 0 34  TRP A CE2 1 ? 
ATOM   249  C  CE3 . TRP A 1 34  ? -13.208 6.339   -0.561  1.000 11.914 0 34  TRP A CE3 1 ? 
ATOM   250  C  CZ2 . TRP A 1 34  ? -15.320 5.840   -2.348  1.000 12.696 0 34  TRP A CZ2 1 ? 
ATOM   251  C  CZ3 . TRP A 1 34  ? -14.097 7.331   -0.889  1.000 13.424 0 34  TRP A CZ3 1 ? 
ATOM   252  C  CH2 . TRP A 1 34  ? -15.155 7.077   -1.773  1.000 13.730 0 34  TRP A CH2 1 ? 
ATOM   253  N  N   . VAL A 1 35  ? -8.679  5.053   0.555   1.000 10.411 0 35  VAL A N   1 ? 
ATOM   254  C  CA  . VAL A 1 35  ? -7.673  5.342   1.561   1.000 10.974 0 35  VAL A CA  1 ? 
ATOM   255  C  C   . VAL A 1 35  ? -8.344  6.128   2.669   1.000 10.789 0 35  VAL A C   1 ? 
ATOM   256  O  O   . VAL A 1 35  ? -9.139  7.031   2.385   1.000 10.509 0 35  VAL A O   1 ? 
ATOM   257  C  CB  . VAL A 1 35  ? -6.495  6.143   0.968   1.000 11.739 0 35  VAL A CB  1 ? 
ATOM   258  C  CG1 . VAL A 1 35  ? -5.594  6.808   2.020   1.000 10.367 0 35  VAL A CG1 1 ? 
ATOM   259  C  CG2 . VAL A 1 35  ? -5.686  5.238   0.062   1.000 12.774 0 35  VAL A CG2 1 ? 
ATOM   260  N  N   . VAL A 1 36  ? -7.977  5.819   3.922   1.000 11.073 0 36  VAL A N   1 ? 
ATOM   261  C  CA  . VAL A 1 36  ? -8.422  6.609   5.066   1.000 12.663 0 36  VAL A CA  1 ? 
ATOM   262  C  C   . VAL A 1 36  ? -7.244  7.413   5.598   1.000 11.293 0 36  VAL A C   1 ? 
ATOM   263  O  O   . VAL A 1 36  ? -6.138  6.901   5.688   1.000 10.653 0 36  VAL A O   1 ? 
ATOM   264  C  CB  . VAL A 1 36  ? -9.019  5.803   6.241   1.000 16.686 0 36  VAL A CB  1 ? 
ATOM   265  C  CG1 . VAL A 1 36  ? -9.648  6.758   7.252   1.000 19.598 0 36  VAL A CG1 1 ? 
ATOM   266  C  CG2 . VAL A 1 36  ? -10.105 4.835   5.835   1.000 20.260 0 36  VAL A CG2 1 ? 
ATOM   267  N  N   . SER A 1 37  ? -7.478  8.688   5.905   1.000 9.864  0 37  SER A N   1 ? 
ATOM   268  C  CA  . SER A 1 37  ? -6.411  9.534   6.408   1.000 9.567  0 37  SER A CA  1 ? 
ATOM   269  C  C   . SER A 1 37  ? -7.005  10.538  7.391   1.000 8.654  0 37  SER A C   1 ? 
ATOM   270  O  O   . SER A 1 37  ? -8.169  10.381  7.795   1.000 7.034  0 37  SER A O   1 ? 
ATOM   271  C  CB  . SER A 1 37  ? -5.703  10.175  5.245   1.000 9.393  0 37  SER A CB  1 ? 
ATOM   272  O  OG  . SER A 1 37  ? -4.597  10.963  5.715   1.000 9.421  0 37  SER A OG  1 ? 
ATOM   273  N  N   . ALA A 1 38  ? -6.235  11.544  7.813   1.000 8.539  0 38  ALA A N   1 ? 
ATOM   274  C  CA  . ALA A 1 38  ? -6.757  12.552  8.723   1.000 8.330  0 38  ALA A CA  1 ? 
ATOM   275  C  C   . ALA A 1 38  ? -7.332  13.712  7.910   1.000 9.075  0 38  ALA A C   1 ? 
ATOM   276  O  O   . ALA A 1 38  ? -6.744  14.107  6.919   1.000 9.217  0 38  ALA A O   1 ? 
ATOM   277  C  CB  . ALA A 1 38  ? -5.617  13.074  9.609   1.000 9.108  0 38  ALA A CB  1 ? 
ATOM   278  N  N   . ALA A 1 39  ? -8.469  14.267  8.323   1.000 8.520  0 39  ALA A N   1 ? 
ATOM   279  C  CA  . ALA A 1 39  ? -9.019  15.448  7.672   1.000 8.497  0 39  ALA A CA  1 ? 
ATOM   280  C  C   . ALA A 1 39  ? -8.053  16.629  7.654   1.000 8.578  0 39  ALA A C   1 ? 
ATOM   281  O  O   . ALA A 1 39  ? -8.116  17.422  6.704   1.000 8.177  0 39  ALA A O   1 ? 
ATOM   282  C  CB  . ALA A 1 39  ? -10.372 15.853  8.319   1.000 8.498  0 39  ALA A CB  1 ? 
ATOM   283  N  N   . HIS A 1 40  ? -7.224  16.774  8.701   1.000 8.239  0 40  HIS A N   1 ? 
ATOM   284  C  CA  . HIS A 1 40  ? -6.264  17.870  8.722   1.000 9.365  0 40  HIS A CA  1 ? 
ATOM   285  C  C   . HIS A 1 40  ? -5.171  17.732  7.659   1.000 10.198 0 40  HIS A C   1 ? 
ATOM   286  O  O   . HIS A 1 40  ? -4.496  18.716  7.390   1.000 11.796 0 40  HIS A O   1 ? 
ATOM   287  C  CB  . HIS A 1 40  ? -5.742  18.129  10.135  1.000 9.895  0 40  HIS A CB  1 ? 
ATOM   288  C  CG  . HIS A 1 40  ? -4.587  17.332  10.538  1.000 9.361  0 40  HIS A CG  1 ? 
ATOM   289  N  ND1 . HIS A 1 40  ? -4.655  16.303  11.437  1.000 10.528 0 40  HIS A ND1 1 ? 
ATOM   290  C  CD2 . HIS A 1 40  ? -3.301  17.516  10.239  1.000 9.866  0 40  HIS A CD2 1 ? 
ATOM   291  C  CE1 . HIS A 1 40  ? -3.416  15.868  11.652  1.000 10.952 0 40  HIS A CE1 1 ? 
ATOM   292  N  NE2 . HIS A 1 40  ? -2.578  16.615  10.959  1.000 10.886 0 40  HIS A NE2 1 ? 
ATOM   293  N  N   . CYS A 1 41  ? -5.110  16.599  6.976   1.000 10.232 0 41  CYS A N   1 ? 
ATOM   294  C  CA  . CYS A 1 41  ? -4.254  16.367  5.832   1.000 10.756 0 41  CYS A CA  1 ? 
ATOM   295  C  C   . CYS A 1 41  ? -4.890  16.865  4.530   1.000 11.066 0 41  CYS A C   1 ? 
ATOM   296  O  O   . CYS A 1 41  ? -4.222  16.852  3.489   1.000 14.805 0 41  CYS A O   1 ? 
ATOM   297  C  CB  . CYS A 1 41  ? -3.907  14.897  5.735   1.000 11.408 0 41  CYS A CB  1 ? 
ATOM   298  S  SG  . CYS A 1 41  ? -2.776  14.365  7.050   1.000 10.413 0 41  CYS A SG  1 ? 
ATOM   299  N  N   . TYR A 1 42  ? -6.172  17.223  4.489   1.000 10.068 0 42  TYR A N   1 ? 
ATOM   300  C  CA  . TYR A 1 42  ? -6.791  17.572  3.223   1.000 10.790 0 42  TYR A CA  1 ? 
ATOM   301  C  C   . TYR A 1 42  ? -5.986  18.649  2.492   1.000 10.938 0 42  TYR A C   1 ? 
ATOM   302  O  O   . TYR A 1 42  ? -5.556  19.629  3.086   1.000 11.370 0 42  TYR A O   1 ? 
ATOM   303  C  CB  . TYR A 1 42  ? -8.212  18.064  3.547   1.000 10.473 0 42  TYR A CB  1 ? 
ATOM   304  C  CG  . TYR A 1 42  ? -8.790  18.792  2.336   1.000 13.159 0 42  TYR A CG  1 ? 
ATOM   305  C  CD1 . TYR A 1 42  ? -9.268  18.079  1.253   1.000 14.233 0 42  TYR A CD1 1 ? 
ATOM   306  C  CD2 . TYR A 1 42  ? -8.679  20.154  2.230   1.000 14.337 0 42  TYR A CD2 1 ? 
ATOM   307  C  CE1 . TYR A 1 42  ? -9.668  18.729  0.098   1.000 15.143 0 42  TYR A CE1 1 ? 
ATOM   308  C  CE2 . TYR A 1 42  ? -9.065  20.824  1.080   1.000 17.079 0 42  TYR A CE2 1 ? 
ATOM   309  C  CZ  . TYR A 1 42  ? -9.568  20.103  0.023   1.000 17.992 0 42  TYR A CZ  1 ? 
ATOM   310  O  OH  . TYR A 1 42  ? -9.943  20.791  -1.096  1.000 23.905 0 42  TYR A OH  1 ? 
ATOM   311  N  N   . LYS A 1 43  ? -5.868  18.416  1.190   1.000 11.564 0 43  LYS A N   1 ? 
ATOM   312  C  CA  . LYS A 1 43  ? -5.519  19.439  0.214   1.000 14.398 0 43  LYS A CA  1 ? 
ATOM   313  C  C   . LYS A 1 43  ? -5.902  18.895  -1.155  1.000 14.842 0 43  LYS A C   1 ? 
ATOM   314  O  O   . LYS A 1 43  ? -6.292  17.750  -1.282  1.000 15.244 0 43  LYS A O   1 ? 
ATOM   315  C  CB  . LYS A 1 43  ? -4.034  19.782  0.349   1.000 18.139 0 43  LYS A CB  1 ? 
ATOM   316  C  CG  . LYS A 1 43  ? -3.127  18.610  0.141   1.000 18.287 0 43  LYS A CG  1 ? 
ATOM   317  C  CD  . LYS A 1 43  ? -1.678  18.964  -0.162  1.000 19.201 0 43  LYS A CD  1 ? 
ATOM   318  C  CE  . LYS A 1 43  ? -0.955  19.526  0.959   1.000 18.412 0 43  LYS A CE  1 ? 
ATOM   319  N  NZ  . LYS A 1 43  ? 0.439   19.892  0.619   1.000 19.131 0 43  LYS A NZ  1 ? 
ATOM   320  N  N   . SER A 1 44  ? -5.882  19.766  -2.166  1.000 17.393 0 44  SER A N   1 ? 
ATOM   321  C  CA  . SER A 1 44  ? -6.076  19.265  -3.513  1.000 20.324 0 44  SER A CA  1 ? 
ATOM   322  C  C   . SER A 1 44  ? -4.712  18.854  -4.078  1.000 18.845 0 44  SER A C   1 ? 
ATOM   323  O  O   . SER A 1 44  ? -3.662  19.147  -3.520  1.000 21.914 0 44  SER A O   1 ? 
ATOM   324  C  CB  . SER A 1 44  ? -6.780  20.286  -4.392  1.000 24.070 0 44  SER A CB  1 ? 
ATOM   325  O  OG  . SER A 1 44  ? -6.019  21.473  -4.376  1.000 27.742 0 44  SER A OG  1 ? 
ATOM   326  N  N   . GLY A 1 45  ? -4.780  18.144  -5.193  1.000 18.809 0 45  GLY A N   1 ? 
ATOM   327  C  CA  . GLY A 1 45  ? -3.586  17.694  -5.893  1.000 18.099 0 45  GLY A CA  1 ? 
ATOM   328  C  C   . GLY A 1 45  ? -2.907  16.513  -5.189  1.000 17.904 0 45  GLY A C   1 ? 
ATOM   329  O  O   . GLY A 1 45  ? -1.674  16.417  -5.212  1.000 20.461 0 45  GLY A O   1 ? 
ATOM   330  N  N   . ILE A 1 46  ? -3.695  15.606  -4.598  1.000 16.469 0 46  ILE A N   1 ? 
ATOM   331  C  CA  . ILE A 1 46  ? -3.075  14.475  -3.905  1.000 14.503 0 46  ILE A CA  1 ? 
ATOM   332  C  C   . ILE A 1 46  ? -2.827  13.335  -4.891  1.000 13.647 0 46  ILE A C   1 ? 
ATOM   333  O  O   . ILE A 1 46  ? -3.754  12.893  -5.588  1.000 14.295 0 46  ILE A O   1 ? 
ATOM   334  C  CB  . ILE A 1 46  ? -3.931  14.016  -2.703  1.000 15.106 0 46  ILE A CB  1 ? 
ATOM   335  C  CG1 . ILE A 1 46  ? -4.124  15.124  -1.688  1.000 16.428 0 46  ILE A CG1 1 ? 
ATOM   336  C  CG2 . ILE A 1 46  ? -3.341  12.788  -2.026  1.000 14.517 0 46  ILE A CG2 1 ? 
ATOM   337  C  CD1 . ILE A 1 46  ? -5.040  14.732  -0.540  1.000 18.929 0 46  ILE A CD1 1 ? 
ATOM   338  N  N   . GLN A 1 47  ? -1.592  12.818  -4.839  1.000 11.644 0 47  GLN A N   1 ? 
ATOM   339  C  CA  . GLN A 1 47  ? -1.216  11.520  -5.371  1.000 10.981 0 47  GLN A CA  1 ? 
ATOM   340  C  C   . GLN A 1 47  ? -0.991  10.546  -4.225  1.000 11.273 0 47  GLN A C   1 ? 
ATOM   341  O  O   . GLN A 1 47  ? -0.248  10.853  -3.290  1.000 10.925 0 47  GLN A O   1 ? 
ATOM   342  C  CB  . GLN A 1 47  ? 0.010   11.605  -6.273  1.000 11.251 0 47  GLN A CB  1 ? 
ATOM   343  C  CG  . GLN A 1 47  ? 0.315   10.312  -7.019  1.000 11.401 0 47  GLN A CG  1 ? 
ATOM   344  C  CD  . GLN A 1 47  ? 1.621   10.390  -7.777  1.000 12.424 0 47  GLN A CD  1 ? 
ATOM   345  O  OE1 . GLN A 1 47  ? 2.702   10.657  -7.212  1.000 12.979 0 47  GLN A OE1 1 ? 
ATOM   346  N  NE2 . GLN A 1 47  ? 1.513   10.254  -9.085  1.000 14.282 0 47  GLN A NE2 1 ? 
ATOM   347  N  N   . VAL A 1 48  ? -1.631  9.385   -4.304  1.000 10.451 0 48  VAL A N   1 ? 
ATOM   348  C  CA  . VAL A 1 48  ? -1.443  8.345   -3.317  1.000 10.573 0 48  VAL A CA  1 ? 
ATOM   349  C  C   . VAL A 1 48  ? -0.320  7.446   -3.780  1.000 10.296 0 48  VAL A C   1 ? 
ATOM   350  O  O   . VAL A 1 48  ? -0.304  7.059   -4.929  1.000 11.178 0 48  VAL A O   1 ? 
ATOM   351  C  CB  . VAL A 1 48  ? -2.733  7.537   -3.148  1.000 11.996 0 48  VAL A CB  1 ? 
ATOM   352  C  CG1 . VAL A 1 48  ? -2.524  6.395   -2.175  1.000 13.799 0 48  VAL A CG1 1 ? 
ATOM   353  C  CG2 . VAL A 1 48  ? -3.828  8.452   -2.626  1.000 12.401 0 48  VAL A CG2 1 ? 
ATOM   354  N  N   . ARG A 1 49  ? 0.644   7.153   -2.902  1.000 10.073 0 49  ARG A N   1 ? 
ATOM   355  C  CA  . ARG A 1 49  ? 1.793   6.324   -3.204  1.000 9.753  0 49  ARG A CA  1 ? 
ATOM   356  C  C   . ARG A 1 49  ? 1.757   5.097   -2.296  1.000 9.782  0 49  ARG A C   1 ? 
ATOM   357  O  O   . ARG A 1 49  ? 1.867   5.239   -1.074  1.000 9.481  0 49  ARG A O   1 ? 
ATOM   358  C  CB  . ARG A 1 49  ? 3.051   7.159   -3.021  1.000 9.304  0 49  ARG A CB  1 ? 
ATOM   359  C  CG  . ARG A 1 49  ? 3.093   8.275   -4.064  1.000 9.331  0 49  ARG A CG  1 ? 
ATOM   360  C  CD  . ARG A 1 49  ? 4.500   8.889   -4.170  1.000 9.831  0 49  ARG A CD  1 ? 
ATOM   361  N  NE  . ARG A 1 49  ? 4.532   9.791   -5.319  1.000 10.766 0 49  ARG A NE  1 ? 
ATOM   362  C  CZ  . ARG A 1 49  ? 5.660   10.155  -5.902  1.000 12.667 0 49  ARG A CZ  1 ? 
ATOM   363  N  NH1 . ARG A 1 49  ? 6.820   9.891   -5.301  1.000 13.643 0 49  ARG A NH1 1 ? 
ATOM   364  N  NH2 . ARG A 1 49  ? 5.598   10.668  -7.121  1.000 13.566 0 49  ARG A NH2 1 ? 
ATOM   365  N  N   . LEU A 1 50  ? 1.460   3.957   -2.925  1.000 11.595 0 50  LEU A N   1 ? 
ATOM   366  C  CA  . LEU A 1 50  ? 1.386   2.676   -2.291  1.000 11.282 0 50  LEU A CA  1 ? 
ATOM   367  C  C   . LEU A 1 50  ? 2.698   1.940   -2.525  1.000 11.186 0 50  LEU A C   1 ? 
ATOM   368  O  O   . LEU A 1 50  ? 3.440   2.231   -3.466  1.000 10.830 0 50  LEU A O   1 ? 
ATOM   369  C  CB  . LEU A 1 50  ? 0.207   1.922   -2.901  1.000 12.514 0 50  LEU A CB  1 ? 
ATOM   370  C  CG  . LEU A 1 50  ? -1.154  2.619   -2.806  1.000 14.882 0 50  LEU A CG  1 ? 
ATOM   371  C  CD1 . LEU A 1 50  ? -1.561  3.266   -4.117  1.000 17.627 0 50  LEU A CD1 1 ? 
ATOM   372  C  CD2 . LEU A 1 50  ? -2.235  1.646   -2.374  1.000 18.574 0 50  LEU A CD2 1 ? 
ATOM   373  N  N   . GLY A 1 51  ? 2.933   0.894   -1.725  1.000 11.526 0 51  GLY A N   1 ? 
ATOM   374  C  CA  . GLY A 1 51  ? 4.083   0.029   -1.895  1.000 10.967 0 51  GLY A CA  1 ? 
ATOM   375  C  C   . GLY A 1 51  ? 5.408   0.737   -1.613  1.000 11.348 0 51  GLY A C   1 ? 
ATOM   376  O  O   . GLY A 1 51  ? 6.433   0.284   -2.121  1.000 11.748 0 51  GLY A O   1 ? 
ATOM   377  N  N   . GLU A 1 52  ? 5.402   1.811   -0.811  1.000 8.955  0 52  GLU A N   1 ? 
ATOM   378  C  CA  . GLU A 1 52  ? 6.623   2.570   -0.587  1.000 10.060 0 52  GLU A CA  1 ? 
ATOM   379  C  C   . GLU A 1 52  ? 7.389   2.006   0.601   1.000 9.556  0 52  GLU A C   1 ? 
ATOM   380  O  O   . GLU A 1 52  ? 6.810   1.713   1.658   1.000 10.576 0 52  GLU A O   1 ? 
ATOM   381  C  CB  . GLU A 1 52  ? 6.293   4.023   -0.248  1.000 9.642  0 52  GLU A CB  1 ? 
ATOM   382  C  CG  . GLU A 1 52  ? 5.863   4.896   -1.422  1.000 9.724  0 52  GLU A CG  1 ? 
ATOM   383  C  CD  . GLU A 1 52  ? 7.023   5.283   -2.328  1.000 9.990  0 52  GLU A CD  1 ? 
ATOM   384  O  OE1 . GLU A 1 52  ? 8.162   4.701   -2.298  1.000 10.912 0 52  GLU A OE1 1 ? 
ATOM   385  O  OE2 . GLU A 1 52  ? 6.814   6.256   -3.110  1.000 10.302 0 52  GLU A OE2 1 ? 
ATOM   386  N  N   . ASP A 1 53  ? 8.722   2.096   0.492   1.000 9.889  0 53  ASP A N   1 ? 
ATOM   387  C  CA  . ASP A 1 53  ? 9.595   2.087   1.645   1.000 11.112 0 53  ASP A CA  1 ? 
ATOM   388  C  C   . ASP A 1 53  ? 10.407  3.379   1.617   1.000 10.084 0 53  ASP A C   1 ? 
ATOM   389  O  O   . ASP A 1 53  ? 10.061  4.317   2.309   1.000 11.759 0 53  ASP A O   1 ? 
ATOM   390  C  CB  . ASP A 1 53  ? 10.457  0.846   1.766   1.000 11.495 0 53  ASP A CB  1 ? 
ATOM   391  C  CG  . ASP A 1 53  ? 11.198  0.801   3.091   1.000 13.186 0 53  ASP A CG  1 ? 
ATOM   392  O  OD1 . ASP A 1 53  ? 10.545  1.015   4.120   1.000 12.207 0 53  ASP A OD1 1 ? 
ATOM   393  O  OD2 . ASP A 1 53  ? 12.428  0.549   3.074   1.000 14.396 0 53  ASP A OD2 1 ? 
ATOM   394  N  N   . ASN A 1 54  ? 11.479  3.469   0.815   1.000 9.489  0 54  ASN A N   1 ? 
ATOM   395  C  CA  . ASN A 1 54  ? 12.163  4.736   0.643   1.000 9.971  0 54  ASN A CA  1 ? 
ATOM   396  C  C   . ASN A 1 54  ? 11.326  5.647   -0.258  1.000 9.474  0 54  ASN A C   1 ? 
ATOM   397  O  O   . ASN A 1 54  ? 11.188  5.379   -1.452  1.000 8.911  0 54  ASN A O   1 ? 
ATOM   398  C  CB  . ASN A 1 54  ? 13.584  4.483   0.178   1.000 9.077  0 54  ASN A CB  1 ? 
ATOM   399  C  CG  . ASN A 1 54  ? 14.448  5.720   0.189   1.000 10.281 0 54  ASN A CG  1 ? 
ATOM   400  O  OD1 . ASN A 1 54  ? 13.994  6.839   -0.088  1.000 9.217  0 54  ASN A OD1 1 ? 
ATOM   401  N  ND2 . ASN A 1 54  ? 15.702  5.549   0.608   1.000 11.852 0 54  ASN A ND2 1 ? 
ATOM   402  N  N   . ILE A 1 55  ? 10.814  6.728   0.313   1.000 9.271  0 55  ILE A N   1 ? 
ATOM   403  C  CA  . ILE A 1 55  ? 9.973   7.675   -0.423  1.000 9.008  0 55  ILE A CA  1 ? 
ATOM   404  C  C   . ILE A 1 55  ? 10.745  8.530   -1.413  1.000 9.717  0 55  ILE A C   1 ? 
ATOM   405  O  O   . ILE A 1 55  ? 10.147  9.256   -2.206  1.000 11.976 0 55  ILE A O   1 ? 
ATOM   406  C  CB  . ILE A 1 55  ? 9.129   8.579   0.472   1.000 9.703  0 55  ILE A CB  1 ? 
ATOM   407  C  CG1 . ILE A 1 55  ? 9.967   9.338   1.545   1.000 10.745 0 55  ILE A CG1 1 ? 
ATOM   408  C  CG2 . ILE A 1 55  ? 7.957   7.786   1.027   1.000 10.184 0 55  ILE A CG2 1 ? 
ATOM   409  C  CD1 . ILE A 1 55  ? 9.134   10.312  2.377   1.000 11.269 0 55  ILE A CD1 1 ? 
ATOM   410  N  N   . ASN A 1 56  ? 12.074  8.436   -1.402  1.000 8.969  0 56  ASN A N   1 ? 
ATOM   411  C  CA  . ASN A 1 56  ? 12.894  9.218   -2.308  1.000 9.304  0 56  ASN A CA  1 ? 
ATOM   412  C  C   . ASN A 1 56  ? 13.623  8.357   -3.349  1.000 10.724 0 56  ASN A C   1 ? 
ATOM   413  O  O   . ASN A 1 56  ? 14.384  8.908   -4.148  1.000 11.991 0 56  ASN A O   1 ? 
ATOM   414  C  CB  . ASN A 1 56  ? 13.967  10.018  -1.570  1.000 10.333 0 56  ASN A CB  1 ? 
ATOM   415  C  CG  . ASN A 1 56  ? 13.455  11.312  -1.006  1.000 10.748 0 56  ASN A CG  1 ? 
ATOM   416  O  OD1 . ASN A 1 56  ? 12.667  12.036  -1.625  1.000 11.406 0 56  ASN A OD1 1 ? 
ATOM   417  N  ND2 . ASN A 1 56  ? 13.935  11.691  0.171   1.000 12.148 0 56  ASN A ND2 1 ? 
ATOM   418  N  N   . VAL A 1 57  ? 13.404  7.047   -3.355  1.000 10.091 0 57  VAL A N   1 ? 
ATOM   419  C  CA  . VAL A 1 57  ? 13.964  6.162   -4.353  1.000 10.578 0 57  VAL A CA  1 ? 
ATOM   420  C  C   . VAL A 1 57  ? 12.866  5.254   -4.905  1.000 10.783 0 57  VAL A C   1 ? 
ATOM   421  O  O   . VAL A 1 57  ? 12.057  4.692   -4.143  1.000 10.848 0 57  VAL A O   1 ? 
ATOM   422  C  CB  . VAL A 1 57  ? 15.047  5.344   -3.620  1.000 11.389 0 57  VAL A CB  1 ? 
ATOM   423  C  CG1 . VAL A 1 57  ? 15.658  4.331   -4.596  1.000 11.269 0 57  VAL A CG1 1 ? 
ATOM   424  C  CG2 . VAL A 1 57  ? 16.132  6.223   -3.014  1.000 11.638 0 57  VAL A CG2 1 ? 
ATOM   425  N  N   . VAL A 1 58  ? 12.840  5.115   -6.222  1.000 11.069 0 58  VAL A N   1 ? 
ATOM   426  C  CA  . VAL A 1 58  ? 11.982  4.125   -6.859  1.000 12.527 0 58  VAL A CA  1 ? 
ATOM   427  C  C   . VAL A 1 58  ? 12.659  2.755   -6.735  1.000 13.315 0 58  VAL A C   1 ? 
ATOM   428  O  O   . VAL A 1 58  ? 13.754  2.532   -7.284  1.000 14.131 0 58  VAL A O   1 ? 
ATOM   429  C  CB  . VAL A 1 58  ? 11.683  4.454   -8.333  1.000 14.061 0 58  VAL A CB  1 ? 
ATOM   430  C  CG1 . VAL A 1 58  ? 10.885  3.340   -9.023  1.000 15.225 0 58  VAL A CG1 1 ? 
ATOM   431  C  CG2 . VAL A 1 58  ? 10.976  5.790   -8.493  1.000 13.718 0 58  VAL A CG2 1 ? 
ATOM   432  N  N   . GLU A 1 59  ? 12.021  1.866   -5.955  1.000 12.753 0 59  GLU A N   1 ? 
ATOM   433  C  CA  . GLU A 1 59  ? 12.601  0.609   -5.507  1.000 14.183 0 59  GLU A CA  1 ? 
ATOM   434  C  C   . GLU A 1 59  ? 11.911  -0.592  -6.145  1.000 14.928 0 59  GLU A C   1 ? 
ATOM   435  O  O   . GLU A 1 59  ? 12.449  -1.702  -6.105  1.000 16.703 0 59  GLU A O   1 ? 
ATOM   436  C  CB  . GLU A 1 59  ? 12.667  0.434   -3.990  1.000 13.346 0 59  GLU A CB  1 ? 
ATOM   437  C  CG  . GLU A 1 59  ? 13.429  1.524   -3.258  1.000 14.091 0 59  GLU A CG  1 ? 
ATOM   438  C  CD  . GLU A 1 59  ? 13.441  1.419   -1.747  1.000 15.649 0 59  GLU A CD  1 ? 
ATOM   439  O  OE1 . GLU A 1 59  ? 12.340  1.587   -1.170  1.000 12.435 0 59  GLU A OE1 1 ? 
ATOM   440  O  OE2 . GLU A 1 59  ? 14.521  1.263   -1.099  1.000 18.806 0 59  GLU A OE2 1 ? 
ATOM   441  N  N   . GLY A 1 60  ? 10.710  -0.411  -6.691  1.000 14.939 0 60  GLY A N   1 ? 
ATOM   442  C  CA  . GLY A 1 60  ? 10.172  -1.422  -7.580  1.000 15.417 0 60  GLY A CA  1 ? 
ATOM   443  C  C   . GLY A 1 60  ? 8.823   -1.980  -7.157  1.000 15.571 0 60  GLY A C   1 ? 
ATOM   444  O  O   . GLY A 1 60  ? 8.282   -2.787  -7.892  1.000 19.099 0 60  GLY A O   1 ? 
ATOM   445  N  N   . ASN A 1 61  ? 8.276   -1.584  -6.000  1.000 15.294 0 61  ASN A N   1 ? 
ATOM   446  C  CA  . ASN A 1 61  ? 6.975   -2.093  -5.574  1.000 15.508 0 61  ASN A CA  1 ? 
ATOM   447  C  C   . ASN A 1 61  ? 5.947   -0.965  -5.465  1.000 13.544 0 61  ASN A C   1 ? 
ATOM   448  O  O   . ASN A 1 61  ? 4.822   -1.188  -5.014  1.000 13.825 0 61  ASN A O   1 ? 
ATOM   449  C  CB  . ASN A 1 61  ? 7.084   -2.866  -4.266  1.000 17.811 0 61  ASN A CB  1 ? 
ATOM   450  C  CG  . ASN A 1 61  ? 7.912   -4.114  -4.440  1.000 20.074 0 61  ASN A CG  1 ? 
ATOM   451  O  OD1 . ASN A 1 61  ? 7.499   -5.041  -5.154  1.000 24.232 0 61  ASN A OD1 1 ? 
ATOM   452  N  ND2 . ASN A 1 61  ? 9.073   -4.153  -3.818  1.000 21.705 0 61  ASN A ND2 1 ? 
ATOM   453  N  N   . GLU A 1 62  ? 6.283   0.232   -5.943  1.000 12.285 0 62  GLU A N   1 ? 
ATOM   454  C  CA  . GLU A 1 62  ? 5.374   1.370   -5.872  1.000 12.649 0 62  GLU A CA  1 ? 
ATOM   455  C  C   . GLU A 1 62  ? 4.189   1.250   -6.828  1.000 12.956 0 62  GLU A C   1 ? 
ATOM   456  O  O   . GLU A 1 62  ? 4.294   0.784   -7.963  1.000 13.224 0 62  GLU A O   1 ? 
ATOM   457  C  CB  . GLU A 1 62  ? 6.071   2.702   -6.179  1.000 11.310 0 62  GLU A CB  1 ? 
ATOM   458  C  CG  . GLU A 1 62  ? 7.216   3.024   -5.211  1.000 11.128 0 62  GLU A CG  1 ? 
ATOM   459  C  CD  . GLU A 1 62  ? 8.599   2.545   -5.601  1.000 11.938 0 62  GLU A CD  1 ? 
ATOM   460  O  OE1 . GLU A 1 62  ? 8.705   1.685   -6.478  1.000 11.590 0 62  GLU A OE1 1 ? 
ATOM   461  O  OE2 . GLU A 1 62  ? 9.546   2.989   -4.935  1.000 11.359 0 62  GLU A OE2 1 ? 
ATOM   462  N  N   . GLN A 1 63  ? 3.059   1.786   -6.359  1.000 11.681 0 63  GLN A N   1 ? 
ATOM   463  C  CA  . GLN A 1 63  ? 1.968   2.171   -7.241  1.000 11.674 0 63  GLN A CA  1 ? 
ATOM   464  C  C   . GLN A 1 63  ? 1.585   3.601   -6.907  1.000 11.561 0 63  GLN A C   1 ? 
ATOM   465  O  O   . GLN A 1 63  ? 1.304   3.879   -5.744  1.000 11.523 0 63  GLN A O   1 ? 
ATOM   466  C  CB  . GLN A 1 63  ? 0.746   1.266   -7.088  1.000 12.581 0 63  GLN A CB  1 ? 
ATOM   467  C  CG  . GLN A 1 63  ? 1.015   -0.196  -7.411  1.000 12.606 0 63  GLN A CG  1 ? 
ATOM   468  C  CD  . GLN A 1 63  ? -0.149  -1.117  -7.104  1.000 14.538 0 63  GLN A CD  1 ? 
ATOM   469  O  OE1 . GLN A 1 63  ? -1.298  -0.850  -7.496  1.000 16.829 0 63  GLN A OE1 1 ? 
ATOM   470  N  NE2 . GLN A 1 63  ? 0.130   -2.172  -6.367  1.000 15.001 0 63  GLN A NE2 1 ? 
ATOM   471  N  N   . PHE A 1 64  ? 1.611   4.485   -7.914  1.000 11.365 0 64  PHE A N   1 ? 
ATOM   472  C  CA  . PHE A 1 64  ? 1.283   5.893   -7.779  1.000 12.415 0 64  PHE A CA  1 ? 
ATOM   473  C  C   . PHE A 1 64  ? -0.055  6.146   -8.485  1.000 13.117 0 64  PHE A C   1 ? 
ATOM   474  O  O   . PHE A 1 64  ? -0.170  5.855   -9.676  1.000 13.509 0 64  PHE A O   1 ? 
ATOM   475  C  CB  . PHE A 1 64  ? 2.348   6.806   -8.392  1.000 12.983 0 64  PHE A CB  1 ? 
ATOM   476  C  CG  . PHE A 1 64  ? 3.776   6.754   -7.856  1.000 14.506 0 64  PHE A CG  1 ? 
ATOM   477  C  CD1 . PHE A 1 64  ? 4.109   6.099   -6.679  1.000 14.905 0 64  PHE A CD1 1 ? 
ATOM   478  C  CD2 . PHE A 1 64  ? 4.778   7.445   -8.527  1.000 16.283 0 64  PHE A CD2 1 ? 
ATOM   479  C  CE1 . PHE A 1 64  ? 5.412   6.117   -6.196  1.000 15.432 0 64  PHE A CE1 1 ? 
ATOM   480  C  CE2 . PHE A 1 64  ? 6.067   7.486   -8.024  1.000 15.267 0 64  PHE A CE2 1 ? 
ATOM   481  C  CZ  . PHE A 1 64  ? 6.381   6.789   -6.875  1.000 16.732 0 64  PHE A CZ  1 ? 
ATOM   482  N  N   . ILE A 1 65  ? -1.068  6.616   -7.753  1.000 11.777 0 65  ILE A N   1 ? 
ATOM   483  C  CA  . ILE A 1 65  ? -2.433  6.703   -8.239  1.000 13.292 0 65  ILE A CA  1 ? 
ATOM   484  C  C   . ILE A 1 65  ? -3.023  8.015   -7.729  1.000 11.841 0 65  ILE A C   1 ? 
ATOM   485  O  O   . ILE A 1 65  ? -2.968  8.295   -6.524  1.000 12.530 0 65  ILE A O   1 ? 
ATOM   486  C  CB  . ILE A 1 65  ? -3.286  5.499   -7.775  1.000 11.843 0 65  ILE A CB  1 ? 
ATOM   487  C  CG1 . ILE A 1 65  ? -2.644  4.154   -8.106  1.000 13.989 0 65  ILE A CG1 1 ? 
ATOM   488  C  CG2 . ILE A 1 65  ? -4.720  5.598   -8.326  1.000 11.579 0 65  ILE A CG2 1 ? 
ATOM   489  C  CD1 . ILE A 1 65  ? -3.375  2.936   -7.582  1.000 14.270 0 65  ILE A CD1 1 ? 
ATOM   490  N  N   . SER A 1 66  ? -3.563  8.835   -8.653  1.000 13.867 0 66  SER A N   1 ? 
ATOM   491  C  CA  . SER A 1 66  ? -4.169  10.105  -8.294  1.000 14.456 0 66  SER A CA  1 ? 
ATOM   492  C  C   . SER A 1 66  ? -5.479  9.885   -7.547  1.000 14.058 0 66  SER A C   1 ? 
ATOM   493  O  O   . SER A 1 66  ? -6.189  8.917   -7.794  1.000 13.454 0 66  SER A O   1 ? 
ATOM   494  C  CB  . SER A 1 66  ? -4.443  10.929  -9.512  1.000 16.814 0 66  SER A CB  1 ? 
ATOM   495  O  OG  . SER A 1 66  ? -3.232  11.235  -10.171 1.000 18.571 0 66  SER A OG  1 ? 
ATOM   496  N  N   . ALA A 1 67  ? -5.716  10.748  -6.567  1.000 14.794 0 67  ALA A N   1 ? 
ATOM   497  C  CA  . ALA A 1 67  ? -7.032  10.803  -5.961  1.000 15.869 0 67  ALA A CA  1 ? 
ATOM   498  C  C   . ALA A 1 67  ? -8.012  11.344  -6.991  1.000 16.801 0 67  ALA A C   1 ? 
ATOM   499  O  O   . ALA A 1 67  ? -7.719  12.326  -7.697  1.000 20.380 0 67  ALA A O   1 ? 
ATOM   500  C  CB  . ALA A 1 67  ? -7.012  11.645  -4.720  1.000 15.842 0 67  ALA A CB  1 ? 
ATOM   501  N  N   . SER A 1 68  ? -9.192  10.725  -7.049  1.000 16.576 0 68  SER A N   1 ? 
ATOM   502  C  CA  . SER A 1 68  ? -10.304 11.242  -7.832  1.000 17.607 0 68  SER A CA  1 ? 
ATOM   503  C  C   . SER A 1 68  ? -11.307 12.032  -6.987  1.000 15.987 0 68  SER A C   1 ? 
ATOM   504  O  O   . SER A 1 68  ? -12.016 12.873  -7.520  1.000 16.006 0 68  SER A O   1 ? 
ATOM   505  C  CB  . SER A 1 68  ? -11.016 10.146  -8.498  1.000 18.686 0 68  SER A CB  1 ? 
ATOM   506  O  OG  . SER A 1 68  ? -11.568 9.264   -7.545  1.000 18.568 0 68  SER A OG  1 ? 
ATOM   507  N  N   . LYS A 1 69  ? -11.416 11.714  -5.696  1.000 15.105 0 69  LYS A N   1 ? 
ATOM   508  C  CA  . LYS A 1 69  ? -12.341 12.432  -4.824  1.000 15.330 0 69  LYS A CA  1 ? 
ATOM   509  C  C   . LYS A 1 69  ? -11.824 12.357  -3.397  1.000 13.897 0 69  LYS A C   1 ? 
ATOM   510  O  O   . LYS A 1 69  ? -11.267 11.338  -2.996  1.000 15.748 0 69  LYS A O   1 ? 
ATOM   511  C  CB  . LYS A 1 69  ? -13.719 11.756  -4.913  1.000 19.542 0 69  LYS A CB  1 ? 
ATOM   512  C  CG  . LYS A 1 69  ? -14.824 12.302  -4.051  1.000 23.196 0 69  LYS A CG  1 ? 
ATOM   513  C  CD  . LYS A 1 69  ? -16.153 11.554  -4.123  1.000 22.783 0 69  LYS A CD  1 ? 
ATOM   514  C  CE  . LYS A 1 69  ? -16.836 11.579  -5.437  1.000 24.422 0 69  LYS A CE  1 ? 
ATOM   515  N  NZ  . LYS A 1 69  ? -18.241 11.161  -5.306  1.000 24.790 0 69  LYS A NZ  1 ? 
ATOM   516  N  N   . SER A 1 70  ? -11.922 13.467  -2.677  1.000 12.091 0 70  SER A N   1 ? 
ATOM   517  C  CA  . SER A 1 70  ? -11.651 13.489  -1.252  1.000 13.105 0 70  SER A CA  1 ? 
ATOM   518  C  C   . SER A 1 70  ? -12.933 13.810  -0.506  1.000 12.175 0 70  SER A C   1 ? 
ATOM   519  O  O   . SER A 1 70  ? -13.692 14.647  -0.967  1.000 11.935 0 70  SER A O   1 ? 
ATOM   520  C  CB  . SER A 1 70  ? -10.589 14.453  -0.913  1.000 15.263 0 70  SER A CB  1 ? 
ATOM   521  O  OG  . SER A 1 70  ? -9.381  14.009  -1.505  1.000 18.379 0 70  SER A OG  1 ? 
ATOM   522  N  N   . ILE A 1 71  ? -13.137 13.171  0.656   1.000 10.516 0 71  ILE A N   1 ? 
ATOM   523  C  CA  . ILE A 1 71  ? -14.333 13.418  1.458   1.000 10.460 0 71  ILE A CA  1 ? 
ATOM   524  C  C   . ILE A 1 71  ? -13.871 13.593  2.903   1.000 10.719 0 71  ILE A C   1 ? 
ATOM   525  O  O   . ILE A 1 71  ? -13.555 12.622  3.594   1.000 10.605 0 71  ILE A O   1 ? 
ATOM   526  C  CB  . ILE A 1 71  ? -15.352 12.271  1.344   1.000 11.068 0 71  ILE A CB  1 ? 
ATOM   527  C  CG1 . ILE A 1 71  ? -15.741 11.979  -0.128  1.000 12.204 0 71  ILE A CG1 1 ? 
ATOM   528  C  CG2 . ILE A 1 71  ? -16.605 12.516  2.196   1.000 10.523 0 71  ILE A CG2 1 ? 
ATOM   529  C  CD1 . ILE A 1 71  ? -16.437 10.645  -0.326  1.000 13.834 0 71  ILE A CD1 1 ? 
ATOM   530  N  N   . VAL A 1 72  ? -13.852 14.834  3.356   1.000 10.158 0 72  VAL A N   1 ? 
ATOM   531  C  CA  . VAL A 1 72  ? -13.635 15.120  4.771   1.000 9.112  0 72  VAL A CA  1 ? 
ATOM   532  C  C   . VAL A 1 72  ? -14.900 14.800  5.530   1.000 8.474  0 72  VAL A C   1 ? 
ATOM   533  O  O   . VAL A 1 72  ? -16.001 15.026  5.023   1.000 9.594  0 72  VAL A O   1 ? 
ATOM   534  C  CB  . VAL A 1 72  ? -13.218 16.607  4.875   1.000 9.339  0 72  VAL A CB  1 ? 
ATOM   535  C  CG1 . VAL A 1 72  ? -13.294 17.102  6.306   1.000 9.462  0 72  VAL A CG1 1 ? 
ATOM   536  C  CG2 . VAL A 1 72  ? -11.852 16.860  4.323   1.000 8.966  0 72  VAL A CG2 1 ? 
ATOM   537  N  N   . HIS A 1 73  ? -14.740 14.326  6.775   1.000 9.063  0 73  HIS A N   1 ? 
ATOM   538  C  CA  . HIS A 1 73  ? -15.876 14.005  7.605   1.000 8.667  0 73  HIS A CA  1 ? 
ATOM   539  C  C   . HIS A 1 73  ? -16.826 15.197  7.665   1.000 9.781  0 73  HIS A C   1 ? 
ATOM   540  O  O   . HIS A 1 73  ? -16.394 16.367  7.779   1.000 9.953  0 73  HIS A O   1 ? 
ATOM   541  C  CB  . HIS A 1 73  ? -15.434 13.582  9.014   1.000 9.344  0 73  HIS A CB  1 ? 
ATOM   542  C  CG  . HIS A 1 73  ? -16.551 12.885  9.712   1.000 10.661 0 73  HIS A CG  1 ? 
ATOM   543  N  ND1 . HIS A 1 73  ? -17.530 13.572  10.407  1.000 12.758 0 73  HIS A ND1 1 ? 
ATOM   544  C  CD2 . HIS A 1 73  ? -16.857 11.568  9.825   1.000 10.486 0 73  HIS A CD2 1 ? 
ATOM   545  C  CE1 . HIS A 1 73  ? -18.391 12.692  10.927  1.000 13.230 0 73  HIS A CE1 1 ? 
ATOM   546  N  NE2 . HIS A 1 73  ? -18.032 11.459  10.558  1.000 11.752 0 73  HIS A NE2 1 ? 
ATOM   547  N  N   . PRO A 1 74  ? -18.150 14.957  7.549   1.000 10.619 0 74  PRO A N   1 ? 
ATOM   548  C  CA  . PRO A 1 74  ? -19.105 16.051  7.608   1.000 10.031 0 74  PRO A CA  1 ? 
ATOM   549  C  C   . PRO A 1 74  ? -18.988 16.936  8.841   1.000 9.871  0 74  PRO A C   1 ? 
ATOM   550  O  O   . PRO A 1 74  ? -19.269 18.110  8.710   1.000 9.880  0 74  PRO A O   1 ? 
ATOM   551  C  CB  . PRO A 1 74  ? -20.470 15.344  7.615   1.000 11.309 0 74  PRO A CB  1 ? 
ATOM   552  C  CG  . PRO A 1 74  ? -20.152 13.949  7.905   1.000 13.376 0 74  PRO A CG  1 ? 
ATOM   553  C  CD  . PRO A 1 74  ? -18.809 13.668  7.305   1.000 11.570 0 74  PRO A CD  1 ? 
ATOM   554  N  N   . SER A 1 75  ? -18.536 16.376  9.973   1.000 9.285  0 75  SER A N   1 ? 
ATOM   555  C  CA  . SER A 1 75  ? -18.492 17.079  11.252  1.000 10.258 0 75  SER A CA  1 ? 
ATOM   556  C  C   . SER A 1 75  ? -17.062 17.459  11.658  1.000 8.727  0 75  SER A C   1 ? 
ATOM   557  O  O   . SER A 1 75  ? -16.818 17.793  12.848  1.000 10.222 0 75  SER A O   1 ? 
ATOM   558  C  CB  . SER A 1 75  ? -19.188 16.224  12.304  1.000 11.891 0 75  SER A CB  1 ? 
ATOM   559  O  OG  . SER A 1 75  ? -20.568 16.152  11.938  1.000 14.928 0 75  SER A OG  1 ? 
ATOM   560  N  N   . TYR A 1 76  ? -16.121 17.398  10.724  1.000 8.761  0 76  TYR A N   1 ? 
ATOM   561  C  CA  . TYR A 1 76  ? -14.745 17.758  11.053  1.000 8.641  0 76  TYR A CA  1 ? 
ATOM   562  C  C   . TYR A 1 76  ? -14.703 19.207  11.547  1.000 9.501  0 76  TYR A C   1 ? 
ATOM   563  O  O   . TYR A 1 76  ? -15.191 20.119  10.865  1.000 10.018 0 76  TYR A O   1 ? 
ATOM   564  C  CB  . TYR A 1 76  ? -13.832 17.664  9.850   1.000 8.623  0 76  TYR A CB  1 ? 
ATOM   565  C  CG  . TYR A 1 76  ? -12.436 18.202  10.079  1.000 9.233  0 76  TYR A CG  1 ? 
ATOM   566  C  CD1 . TYR A 1 76  ? -11.676 17.731  11.138  1.000 9.923  0 76  TYR A CD1 1 ? 
ATOM   567  C  CD2 . TYR A 1 76  ? -11.881 19.128  9.196   1.000 9.191  0 76  TYR A CD2 1 ? 
ATOM   568  C  CE1 . TYR A 1 76  ? -10.376 18.145  11.300  1.000 9.974  0 76  TYR A CE1 1 ? 
ATOM   569  C  CE2 . TYR A 1 76  ? -10.579 19.579  9.375   1.000 10.212 0 76  TYR A CE2 1 ? 
ATOM   570  C  CZ  . TYR A 1 76  ? -9.835  19.082  10.429  1.000 11.326 0 76  TYR A CZ  1 ? 
ATOM   571  O  OH  . TYR A 1 76  ? -8.560  19.502  10.622  1.000 10.782 0 76  TYR A OH  1 ? 
ATOM   572  N  N   . ASN A 1 77  ? -14.012 19.421  12.681  1.000 9.191  0 77  ASN A N   1 ? 
ATOM   573  C  CA  . ASN A 1 77  ? -13.731 20.759  13.195  1.000 9.591  0 77  ASN A CA  1 ? 
ATOM   574  C  C   . ASN A 1 77  ? -12.221 20.938  13.317  1.000 9.328  0 77  ASN A C   1 ? 
ATOM   575  O  O   . ASN A 1 77  ? -11.547 20.242  14.094  1.000 10.515 0 77  ASN A O   1 ? 
ATOM   576  C  CB  . ASN A 1 77  ? -14.424 20.924  14.539  1.000 9.527  0 77  ASN A CB  1 ? 
ATOM   577  C  CG  . ASN A 1 77  ? -14.198 22.295  15.133  1.000 10.675 0 77  ASN A CG  1 ? 
ATOM   578  O  OD1 . ASN A 1 77  ? -13.062 22.744  15.193  1.000 10.274 0 77  ASN A OD1 1 ? 
ATOM   579  N  ND2 . ASN A 1 77  ? -15.244 22.974  15.569  1.000 12.110 0 77  ASN A ND2 1 ? 
ATOM   580  N  N   . SER A 1 78  ? -11.707 21.845  12.494  1.000 9.695  0 78  SER A N   1 ? 
ATOM   581  C  CA  . SER A 1 78  ? -10.268 22.042  12.388  1.000 9.819  0 78  SER A CA  1 ? 
ATOM   582  C  C   . SER A 1 78  ? -9.678  22.715  13.631  1.000 9.599  0 78  SER A C   1 ? 
ATOM   583  O  O   . SER A 1 78  ? -8.463  22.654  13.826  1.000 11.207 0 78  SER A O   1 ? 
ATOM   584  C  CB  . SER A 1 78  ? -9.921  22.788  11.159  1.000 11.522 0 78  SER A CB  1 ? 
ATOM   585  O  OG  . SER A 1 78  ? -10.551 24.057  11.132  1.000 11.935 0 78  SER A OG  1 ? 
ATOM   586  N  N   . ASN A 1 79  ? -10.491 23.380  14.436  1.000 9.021  0 79  ASN A N   1 ? 
ATOM   587  C  CA  . ASN A 1 79  ? -10.011 24.029  15.659  1.000 9.099  0 79  ASN A CA  1 ? 
ATOM   588  C  C   . ASN A 1 79  ? -9.796  23.006  16.771  1.000 8.838  0 79  ASN A C   1 ? 
ATOM   589  O  O   . ASN A 1 79  ? -8.748  23.003  17.417  1.000 10.883 0 79  ASN A O   1 ? 
ATOM   590  C  CB  . ASN A 1 79  ? -10.948 25.154  16.107  1.000 9.507  0 79  ASN A CB  1 ? 
ATOM   591  C  CG  . ASN A 1 79  ? -10.988 26.287  15.106  1.000 9.672  0 79  ASN A CG  1 ? 
ATOM   592  O  OD1 . ASN A 1 79  ? -9.948  26.645  14.518  1.000 11.846 0 79  ASN A OD1 1 ? 
ATOM   593  N  ND2 . ASN A 1 79  ? -12.176 26.841  14.914  1.000 11.705 0 79  ASN A ND2 1 ? 
ATOM   594  N  N   . THR A 1 80  ? -10.734 22.072  16.950  1.000 9.103  0 80  THR A N   1 ? 
ATOM   595  C  CA  . THR A 1 80  ? -10.661 21.070  18.017  1.000 9.389  0 80  THR A CA  1 ? 
ATOM   596  C  C   . THR A 1 80  ? -10.054 19.754  17.548  1.000 9.988  0 80  THR A C   1 ? 
ATOM   597  O  O   . THR A 1 80  ? -9.632  18.961  18.367  1.000 10.521 0 80  THR A O   1 ? 
ATOM   598  C  CB  . THR A 1 80  ? -12.029 20.816  18.612  1.000 10.151 0 80  THR A CB  1 ? 
ATOM   599  O  OG1 . THR A 1 80  ? -12.847 20.287  17.571  1.000 10.517 0 80  THR A OG1 1 ? 
ATOM   600  C  CG2 . THR A 1 80  ? -12.620 22.105  19.163  1.000 10.324 0 80  THR A CG2 1 ? 
ATOM   601  N  N   . LEU A 1 81  ? -10.013 19.557  16.222  1.000 9.641  0 81  LEU A N   1 ? 
ATOM   602  C  CA  . LEU A 1 81  ? -9.646  18.325  15.552  1.000 9.689  0 81  LEU A CA  1 ? 
ATOM   603  C  C   . LEU A 1 81  ? -10.617 17.192  15.866  1.000 9.156  0 81  LEU A C   1 ? 
ATOM   604  O  O   . LEU A 1 81  ? -10.308 16.032  15.621  1.000 8.649  0 81  LEU A O   1 ? 
ATOM   605  C  CB  . LEU A 1 81  ? -8.215  17.889  15.818  1.000 10.213 0 81  LEU A CB  1 ? 
ATOM   606  C  CG  . LEU A 1 81  ? -7.152  18.889  15.354  1.000 12.130 0 81  LEU A CG  1 ? 
ATOM   607  C  CD1 . LEU A 1 81  ? -5.716  18.539  15.659  1.000 12.743 0 81  LEU A CD1 1 ? 
ATOM   608  C  CD2 . LEU A 1 81  ? -7.317  19.153  13.873  1.000 12.767 0 81  LEU A CD2 1 ? 
ATOM   609  N  N   . ASN A 1 82  ? -11.832 17.522  16.305  1.000 9.056  0 82  ASN A N   1 ? 
ATOM   610  C  CA  . ASN A 1 82  ? -12.851 16.509  16.479  1.000 9.285  0 82  ASN A CA  1 ? 
ATOM   611  C  C   . ASN A 1 82  ? -13.246 15.982  15.093  1.000 8.857  0 82  ASN A C   1 ? 
ATOM   612  O  O   . ASN A 1 82  ? -13.468 16.763  14.180  1.000 8.844  0 82  ASN A O   1 ? 
ATOM   613  C  CB  . ASN A 1 82  ? -14.049 17.072  17.216  1.000 9.618  0 82  ASN A CB  1 ? 
ATOM   614  C  CG  . ASN A 1 82  ? -14.956 15.994  17.757  1.000 10.157 0 82  ASN A CG  1 ? 
ATOM   615  O  OD1 . ASN A 1 82  ? -14.516 14.896  18.092  1.000 9.625  0 82  ASN A OD1 1 ? 
ATOM   616  N  ND2 . ASN A 1 82  ? -16.215 16.358  17.972  1.000 13.264 0 82  ASN A ND2 1 ? 
ATOM   617  N  N   . ASN A 1 83  ? -13.375 14.663  14.962  1.000 8.664  0 83  ASN A N   1 ? 
ATOM   618  C  CA  . ASN A 1 83  ? -13.711 14.014  13.709  1.000 8.585  0 83  ASN A CA  1 ? 
ATOM   619  C  C   . ASN A 1 83  ? -12.619 14.258  12.669  1.000 8.577  0 83  ASN A C   1 ? 
ATOM   620  O  O   . ASN A 1 83  ? -12.914 14.531  11.503  1.000 10.020 0 83  ASN A O   1 ? 
ATOM   621  C  CB  . ASN A 1 83  ? -15.063 14.435  13.160  1.000 8.544  0 83  ASN A CB  1 ? 
ATOM   622  C  CG  . ASN A 1 83  ? -16.178 14.332  14.182  1.000 8.847  0 83  ASN A CG  1 ? 
ATOM   623  O  OD1 . ASN A 1 83  ? -16.548 13.232  14.617  1.000 11.577 0 83  ASN A OD1 1 ? 
ATOM   624  N  ND2 . ASN A 1 83  ? -16.708 15.475  14.596  1.000 8.910  0 83  ASN A ND2 1 ? 
ATOM   625  N  N   . ASP A 1 84  ? -11.362 13.988  13.057  1.000 8.782  0 84  ASP A N   1 ? 
ATOM   626  C  CA  . ASP A 1 84  ? -10.194 14.166  12.205  1.000 8.218  0 84  ASP A CA  1 ? 
ATOM   627  C  C   . ASP A 1 84  ? -9.979  12.909  11.361  1.000 7.535  0 84  ASP A C   1 ? 
ATOM   628  O  O   . ASP A 1 84  ? -9.106  12.064  11.619  1.000 7.953  0 84  ASP A O   1 ? 
ATOM   629  C  CB  . ASP A 1 84  ? -8.965  14.520  13.010  1.000 7.595  0 84  ASP A CB  1 ? 
ATOM   630  C  CG  . ASP A 1 84  ? -7.808  14.982  12.155  1.000 8.037  0 84  ASP A CG  1 ? 
ATOM   631  O  OD1 . ASP A 1 84  ? -8.050  15.222  10.957  1.000 8.928  0 84  ASP A OD1 1 ? 
ATOM   632  O  OD2 . ASP A 1 84  ? -6.663  15.077  12.687  1.000 9.419  0 84  ASP A OD2 1 ? 
ATOM   633  N  N   . ILE A 1 85  ? -10.776 12.869  10.280  1.000 8.261  0 85  ILE A N   1 ? 
ATOM   634  C  CA  . ILE A 1 85  ? -10.848 11.701  9.424   1.000 7.695  0 85  ILE A CA  1 ? 
ATOM   635  C  C   . ILE A 1 85  ? -11.323 12.127  8.048   1.000 7.939  0 85  ILE A C   1 ? 
ATOM   636  O  O   . ILE A 1 85  ? -12.248 12.946  7.929   1.000 8.174  0 85  ILE A O   1 ? 
ATOM   637  C  CB  . ILE A 1 85  ? -11.708 10.571  10.025  1.000 7.993  0 85  ILE A CB  1 ? 
ATOM   638  C  CG1 . ILE A 1 85  ? -11.559 9.268   9.237   1.000 8.613  0 85  ILE A CG1 1 ? 
ATOM   639  C  CG2 . ILE A 1 85  ? -13.186 10.938  10.203  1.000 8.306  0 85  ILE A CG2 1 ? 
ATOM   640  C  CD1 . ILE A 1 85  ? -12.225 8.067   9.900   1.000 10.036 0 85  ILE A CD1 1 ? 
ATOM   641  N  N   . MET A 1 86  ? -10.741 11.514  7.010   1.000 8.567  0 86  MET A N   1 ? 
ATOM   642  C  CA  . MET A 1 86  ? -11.115 11.778  5.629   1.000 9.089  0 86  MET A CA  1 ? 
ATOM   643  C  C   . MET A 1 86  ? -10.905 10.517  4.792   1.000 9.306  0 86  MET A C   1 ? 
ATOM   644  O  O   . MET A 1 86  ? -10.085 9.667   5.131   1.000 9.760  0 86  MET A O   1 ? 
ATOM   645  C  CB  . MET A 1 86  ? -10.343 12.942  4.990   1.000 11.704 0 86  MET A CB  1 ? 
ATOM   646  C  CG  . MET A 1 86  ? -8.951  12.697  4.610   1.000 14.468 0 86  MET A CG  1 ? 
ATOM   647  S  SD  . MET A 1 86  ? -8.305  14.114  3.691   1.000 20.289 0 86  MET A SD  1 ? 
ATOM   648  C  CE  . MET A 1 86  ? -9.475  14.591  2.463   1.000 22.147 0 86  MET A CE  1 ? 
ATOM   649  N  N   . LEU A 1 87  ? -11.762 10.349  3.779   1.000 9.183  0 87  LEU A N   1 ? 
ATOM   650  C  CA  . LEU A 1 87  ? -11.677 9.281   2.797   1.000 8.852  0 87  LEU A CA  1 ? 
ATOM   651  C  C   . LEU A 1 87  ? -11.170 9.831   1.472   1.000 9.045  0 87  LEU A C   1 ? 
ATOM   652  O  O   . LEU A 1 87  ? -11.529 10.929  1.086   1.000 10.219 0 87  LEU A O   1 ? 
ATOM   653  C  CB  . LEU A 1 87  ? -13.041 8.632   2.622   1.000 8.773  0 87  LEU A CB  1 ? 
ATOM   654  C  CG  . LEU A 1 87  ? -13.416 7.710   3.778   1.000 9.634  0 87  LEU A CG  1 ? 
ATOM   655  C  CD1 . LEU A 1 87  ? -14.906 7.324   3.626   1.000 10.178 0 87  LEU A CD1 1 ? 
ATOM   656  C  CD2 . LEU A 1 87  ? -12.577 6.435   3.830   1.000 10.768 0 87  LEU A CD2 1 ? 
ATOM   657  N  N   . ILE A 1 88  ? -10.278 9.067   0.844   1.000 8.823  0 88  ILE A N   1 ? 
ATOM   658  C  CA  . ILE A 1 88  ? -9.769  9.442   -0.475  1.000 9.113  0 88  ILE A CA  1 ? 
ATOM   659  C  C   . ILE A 1 88  ? -10.061 8.259   -1.409  1.000 9.893  0 88  ILE A C   1 ? 
ATOM   660  O  O   . ILE A 1 88  ? -9.643  7.140   -1.128  1.000 11.074 0 88  ILE A O   1 ? 
ATOM   661  C  CB  . ILE A 1 88  ? -8.259  9.739   -0.443  1.000 10.086 0 88  ILE A CB  1 ? 
ATOM   662  C  CG1 . ILE A 1 88  ? -7.925  10.900  0.525   1.000 10.383 0 88  ILE A CG1 1 ? 
ATOM   663  C  CG2 . ILE A 1 88  ? -7.771  10.020  -1.878  1.000 12.926 0 88  ILE A CG2 1 ? 
ATOM   664  C  CD1 . ILE A 1 88  ? -6.423  10.992  0.788   1.000 12.784 0 88  ILE A CD1 1 ? 
ATOM   665  N  N   . LYS A 1 89  ? -10.775 8.528   -2.509  1.000 11.009 0 89  LYS A N   1 ? 
ATOM   666  C  CA  . LYS A 1 89  ? -10.993 7.521   -3.539  1.000 12.378 0 89  LYS A CA  1 ? 
ATOM   667  C  C   . LYS A 1 89  ? -9.880  7.656   -4.584  1.000 12.081 0 89  LYS A C   1 ? 
ATOM   668  O  O   . LYS A 1 89  ? -9.583  8.758   -5.077  1.000 14.776 0 89  LYS A O   1 ? 
ATOM   669  C  CB  . LYS A 1 89  ? -12.397 7.663   -4.129  1.000 11.970 0 89  LYS A CB  1 ? 
ATOM   670  C  CG  . LYS A 1 89  ? -12.799 6.552   -5.094  1.000 12.674 0 89  LYS A CG  1 ? 
ATOM   671  C  CD  . LYS A 1 89  ? -14.145 6.675   -5.783  1.000 13.625 0 89  LYS A CD  1 ? 
ATOM   672  C  CE  . LYS A 1 89  ? -14.367 5.454   -6.666  1.000 13.355 0 89  LYS A CE  1 ? 
ATOM   673  N  NZ  . LYS A 1 89  ? -15.673 5.574   -7.302  1.000 16.695 0 89  LYS A NZ  1 ? 
ATOM   674  N  N   . LEU A 1 90  ? -9.340  6.508   -4.984  1.000 13.038 0 90  LEU A N   1 ? 
ATOM   675  C  CA  . LEU A 1 90  ? -8.322  6.447   -6.026  1.000 14.385 0 90  LEU A CA  1 ? 
ATOM   676  C  C   . LEU A 1 90  ? -8.959  6.420   -7.415  1.000 15.848 0 90  LEU A C   1 ? 
ATOM   677  O  O   . LEU A 1 90  ? -9.995  5.785   -7.619  1.000 15.095 0 90  LEU A O   1 ? 
ATOM   678  C  CB  . LEU A 1 90  ? -7.490  5.183   -5.837  1.000 15.167 0 90  LEU A CB  1 ? 
ATOM   679  C  CG  . LEU A 1 90  ? -6.875  5.002   -4.450  1.000 14.832 0 90  LEU A CG  1 ? 
ATOM   680  C  CD1 . LEU A 1 90  ? -6.091  3.715   -4.374  1.000 15.201 0 90  LEU A CD1 1 ? 
ATOM   681  C  CD2 . LEU A 1 90  ? -5.996  6.196   -4.125  1.000 16.831 0 90  LEU A CD2 1 ? 
ATOM   682  N  N   . LYS A 1 91  ? -8.295  7.073   -8.370  1.000 14.957 0 91  LYS A N   1 ? 
ATOM   683  C  CA  . LYS A 1 91  ? -8.783  7.136   -9.740  1.000 16.939 0 91  LYS A CA  1 ? 
ATOM   684  C  C   . LYS A 1 91  ? -8.863  5.737   -10.357 1.000 16.750 0 91  LYS A C   1 ? 
ATOM   685  O  O   . LYS A 1 91  ? -9.732  5.464   -11.185 1.000 18.888 0 91  LYS A O   1 ? 
ATOM   686  C  CB  . LYS A 1 91  ? -7.911  8.017   -10.645 1.000 21.492 0 91  LYS A CB  1 ? 
ATOM   687  C  CG  . LYS A 1 91  ? -8.212  9.484   -10.566 1.000 26.135 0 91  LYS A CG  1 ? 
ATOM   688  C  CD  . LYS A 1 91  ? -7.433  10.287  -11.600 1.000 31.041 0 91  LYS A CD  1 ? 
ATOM   689  C  CE  . LYS A 1 91  ? -7.580  11.774  -11.407 1.000 35.291 0 91  LYS A CE  1 ? 
ATOM   690  N  NZ  . LYS A 1 91  ? -6.922  12.469  -12.516 1.000 36.719 0 91  LYS A NZ  1 ? 
ATOM   691  N  N   . SER A 1 92  ? -7.950  4.860   -9.979  1.000 15.543 0 92  SER A N   1 ? 
ATOM   692  C  CA  . SER A 1 92  ? -7.976  3.484   -10.425 1.000 17.433 0 92  SER A CA  1 ? 
ATOM   693  C  C   . SER A 1 92  ? -7.773  2.577   -9.212  1.000 18.276 0 92  SER A C   1 ? 
ATOM   694  O  O   . SER A 1 92  ? -7.218  2.982   -8.197  1.000 17.606 0 92  SER A O   1 ? 
ATOM   695  C  CB  . SER A 1 92  ? -6.952  3.243   -11.516 1.000 18.724 0 92  SER A CB  1 ? 
ATOM   696  O  OG  . SER A 1 92  ? -5.622  3.456   -11.055 1.000 20.110 0 92  SER A OG  1 ? 
ATOM   697  N  N   . ALA A 1 93  ? -8.165  1.310   -9.339  1.000 17.555 0 93  ALA A N   1 ? 
ATOM   698  C  CA  . ALA A 1 93  ? -7.982  0.347   -8.279  1.000 16.838 0 93  ALA A CA  1 ? 
ATOM   699  C  C   . ALA A 1 93  ? -6.515  -0.022  -8.170  1.000 16.360 0 93  ALA A C   1 ? 
ATOM   700  O  O   . ALA A 1 93  ? -5.858  -0.242  -9.175  1.000 19.197 0 93  ALA A O   1 ? 
ATOM   701  C  CB  . ALA A 1 93  ? -8.803  -0.907  -8.568  1.000 17.497 0 93  ALA A CB  1 ? 
ATOM   702  N  N   . ALA A 1 94  ? -6.030  -0.120  -6.942  1.000 16.527 0 94  ALA A N   1 ? 
ATOM   703  C  CA  . ALA A 1 94  ? -4.707  -0.646  -6.695  1.000 16.202 0 94  ALA A CA  1 ? 
ATOM   704  C  C   . ALA A 1 94  ? -4.721  -2.154  -6.893  1.000 16.304 0 94  ALA A C   1 ? 
ATOM   705  O  O   . ALA A 1 94  ? -5.717  -2.819  -6.587  1.000 17.140 0 94  ALA A O   1 ? 
ATOM   706  C  CB  . ALA A 1 94  ? -4.249  -0.286  -5.301  1.000 15.623 0 94  ALA A CB  1 ? 
ATOM   707  N  N   . SER A 1 95  ? -3.569  -2.660  -7.331  1.000 15.687 0 95  SER A N   1 ? 
ATOM   708  C  CA  . SER A 1 95  ? -3.288  -4.089  -7.459  1.000 18.614 0 95  SER A CA  1 ? 
ATOM   709  C  C   . SER A 1 95  ? -2.799  -4.640  -6.135  1.000 18.705 0 95  SER A C   1 ? 
ATOM   710  O  O   . SER A 1 95  ? -1.739  -4.235  -5.672  1.000 19.143 0 95  SER A O   1 ? 
ATOM   711  C  CB  . SER A 1 95  ? -2.211  -4.369  -8.495  1.000 19.369 0 95  SER A CB  1 ? 
ATOM   712  O  OG  . SER A 1 95  ? -2.656  -3.907  -9.756  1.000 26.721 0 95  SER A OG  1 ? 
ATOM   713  N  N   . LEU A 1 96  ? -3.545  -5.578  -5.557  1.000 19.583 0 96  LEU A N   1 ? 
ATOM   714  C  CA  . LEU A 1 96  ? -3.265  -6.062  -4.216  1.000 21.882 0 96  LEU A CA  1 ? 
ATOM   715  C  C   . LEU A 1 96  ? -2.522  -7.397  -4.303  1.000 25.848 0 96  LEU A C   1 ? 
ATOM   716  O  O   . LEU A 1 96  ? -2.979  -8.281  -5.033  1.000 27.009 0 96  LEU A O   1 ? 
ATOM   717  C  CB  . LEU A 1 96  ? -4.568  -6.172  -3.428  1.000 20.018 0 96  LEU A CB  1 ? 
ATOM   718  C  CG  . LEU A 1 96  ? -5.403  -4.892  -3.330  1.000 22.050 0 96  LEU A CG  1 ? 
ATOM   719  C  CD1 . LEU A 1 96  ? -6.642  -5.182  -2.511  1.000 24.367 0 96  LEU A CD1 1 ? 
ATOM   720  C  CD2 . LEU A 1 96  ? -4.612  -3.760  -2.712  1.000 22.760 0 96  LEU A CD2 1 ? 
ATOM   721  N  N   . ASN A 1 97  ? -1.395  -7.453  -3.560  1.000 29.934 0 97  ASN A N   1 ? 
ATOM   722  C  CA  . ASN A 1 97  ? -0.426  -8.549  -3.409  1.000 34.623 0 97  ASN A CA  1 ? 
ATOM   723  C  C   . ASN A 1 97  ? 0.103   -8.525  -1.964  1.000 29.122 0 97  ASN A C   1 ? 
ATOM   724  O  O   . ASN A 1 97  ? -0.505  -7.882  -1.116  1.000 30.107 0 97  ASN A O   1 ? 
ATOM   725  C  CB  . ASN A 1 97  ? 0.737   -8.473  -4.402  1.000 36.901 0 97  ASN A CB  1 ? 
ATOM   726  C  CG  . ASN A 1 97  ? 1.859   -7.533  -3.987  1.000 45.939 0 97  ASN A CG  1 ? 
ATOM   727  O  OD1 . ASN A 1 97  ? 3.048   -7.895  -3.977  1.000 51.532 0 97  ASN A OD1 1 ? 
ATOM   728  N  ND2 . ASN A 1 97  ? 1.522   -6.297  -3.669  1.000 44.718 0 97  ASN A ND2 1 ? 
ATOM   729  N  N   . SER A 1 98  ? 1.211   -9.238  -1.654  1.000 22.683 0 98  SER A N   1 ? 
ATOM   730  C  CA  . SER A 1 98  ? 1.741   -9.264  -0.291  1.000 22.426 0 98  SER A CA  1 ? 
ATOM   731  C  C   . SER A 1 98  ? 2.289   -7.912  0.196   1.000 19.013 0 98  SER A C   1 ? 
ATOM   732  O  O   . SER A 1 98  ? 2.302   -7.659  1.404   1.000 23.067 0 98  SER A O   1 ? 
ATOM   733  C  CB  . SER A 1 98  ? 2.834   -10.322 -0.168  1.000 26.976 0 98  SER A CB  1 ? 
ATOM   734  O  OG  . SER A 1 98  ? 3.888   -10.093 -1.107  1.000 29.580 0 98  SER A OG  1 ? 
ATOM   735  N  N   . ARG A 1 99  ? 2.810   -7.087  -0.714  1.000 18.394 0 99  ARG A N   1 ? 
ATOM   736  C  CA  . ARG A 1 99  ? 3.462   -5.836  -0.356  1.000 19.236 0 99  ARG A CA  1 ? 
ATOM   737  C  C   . ARG A 1 99  ? 2.519   -4.633  -0.414  1.000 19.150 0 99  ARG A C   1 ? 
ATOM   738  O  O   . ARG A 1 99  ? 2.851   -3.571  0.130   1.000 19.738 0 99  ARG A O   1 ? 
ATOM   739  C  CB  . ARG A 1 99  ? 4.673   -5.658  -1.266  1.000 19.911 0 99  ARG A CB  1 ? 
ATOM   740  C  CG  . ARG A 1 99  ? 5.674   -6.770  -1.014  1.000 20.534 0 99  ARG A CG  1 ? 
ATOM   741  C  CD  . ARG A 1 99  ? 6.868   -6.587  -1.902  1.000 23.440 0 99  ARG A CD  1 ? 
ATOM   742  N  NE  . ARG A 1 99  ? 7.957   -7.503  -1.527  1.000 26.640 0 99  ARG A NE  1 ? 
ATOM   743  C  CZ  . ARG A 1 99  ? 8.010   -8.796  -1.827  1.000 34.928 0 99  ARG A CZ  1 ? 
ATOM   744  N  NH1 . ARG A 1 99  ? 7.117   -9.348  -2.651  1.000 39.059 0 99  ARG A NH1 1 ? 
ATOM   745  N  NH2 . ARG A 1 99  ? 8.992   -9.535  -1.327  1.000 36.272 0 99  ARG A NH2 1 ? 
ATOM   746  N  N   . VAL A 1 100 ? 1.357   -4.807  -1.061  1.000 15.358 0 100 VAL A N   1 ? 
ATOM   747  C  CA  . VAL A 1 100 ? 0.301   -3.803  -1.085  1.000 14.471 0 100 VAL A CA  1 ? 
ATOM   748  C  C   . VAL A 1 100 ? -1.009  -4.502  -0.758  1.000 15.175 0 100 VAL A C   1 ? 
ATOM   749  O  O   . VAL A 1 100 ? -1.463  -5.403  -1.462  1.000 17.418 0 100 VAL A O   1 ? 
ATOM   750  C  CB  . VAL A 1 100 ? 0.221   -3.048  -2.413  1.000 13.987 0 100 VAL A CB  1 ? 
ATOM   751  C  CG1 . VAL A 1 100 ? -0.928  -2.042  -2.414  1.000 14.110 0 100 VAL A CG1 1 ? 
ATOM   752  C  CG2 . VAL A 1 100 ? 1.559   -2.407  -2.718  1.000 14.464 0 100 VAL A CG2 1 ? 
ATOM   753  N  N   . ALA A 1 101 ? -1.585  -4.097  0.357   1.000 13.485 0 101 ALA A N   1 ? 
ATOM   754  C  CA  . ALA A 1 101 ? -2.700  -4.832  0.921   1.000 13.593 0 101 ALA A CA  1 ? 
ATOM   755  C  C   . ALA A 1 101 ? -3.555  -3.892  1.760   1.000 12.608 0 101 ALA A C   1 ? 
ATOM   756  O  O   . ALA A 1 101 ? -3.077  -2.914  2.308   1.000 13.214 0 101 ALA A O   1 ? 
ATOM   757  C  CB  . ALA A 1 101 ? -2.236  -5.998  1.749   1.000 13.878 0 101 ALA A CB  1 ? 
ATOM   758  N  N   . SER A 1 102 ? -4.854  -4.176  1.782   1.000 12.958 0 102 SER A N   1 ? 
ATOM   759  C  CA  . SER A 1 102 ? -5.770  -3.400  2.587   1.000 13.498 0 102 SER A CA  1 ? 
ATOM   760  C  C   . SER A 1 102 ? -5.652  -3.838  4.046   1.000 12.375 0 102 SER A C   1 ? 
ATOM   761  O  O   . SER A 1 102 ? -5.264  -4.978  4.320   1.000 13.771 0 102 SER A O   1 ? 
ATOM   762  C  CB  . SER A 1 102 ? -7.168  -3.546  2.057   1.000 14.555 0 102 SER A CB  1 ? 
ATOM   763  O  OG  . SER A 1 102 ? -7.579  -4.910  2.000   1.000 16.271 0 102 SER A OG  1 ? 
ATOM   764  N  N   . ILE A 1 103 ? -6.053  -2.951  4.968   1.000 10.907 0 103 ILE A N   1 ? 
ATOM   765  C  CA  . ILE A 1 103 ? -6.150  -3.253  6.386   1.000 11.729 0 103 ILE A CA  1 ? 
ATOM   766  C  C   . ILE A 1 103 ? -7.622  -3.337  6.803   1.000 11.754 0 103 ILE A C   1 ? 
ATOM   767  O  O   . ILE A 1 103 ? -8.425  -2.487  6.451   1.000 13.094 0 103 ILE A O   1 ? 
ATOM   768  C  CB  . ILE A 1 103 ? -5.331  -2.259  7.232   1.000 13.295 0 103 ILE A CB  1 ? 
ATOM   769  C  CG1 . ILE A 1 103 ? -5.234  -2.692  8.696   1.000 15.519 0 103 ILE A CG1 1 ? 
ATOM   770  C  CG2 . ILE A 1 103 ? -5.826  -0.809  7.102   1.000 13.685 0 103 ILE A CG2 1 ? 
ATOM   771  C  CD1 . ILE A 1 103 ? -4.532  -4.026  8.890   1.000 17.518 0 103 ILE A CD1 1 ? 
ATOM   772  N  N   . SER A 1 104 ? -7.956  -4.356  7.603   1.000 11.415 0 104 SER A N   1 ? 
ATOM   773  C  CA  . SER A 1 104 ? -9.317  -4.527  8.103   1.000 13.891 0 104 SER A CA  1 ? 
ATOM   774  C  C   . SER A 1 104 ? -9.777  -3.372  8.975   1.000 13.618 0 104 SER A C   1 ? 
ATOM   775  O  O   . SER A 1 104 ? -9.025  -2.909  9.806   1.000 14.220 0 104 SER A O   1 ? 
ATOM   776  C  CB  . SER A 1 104 ? -9.433  -5.786  8.909   1.000 16.600 0 104 SER A CB  1 ? 
ATOM   777  O  OG  . SER A 1 104 ? -9.266  -6.868  8.028   1.000 19.972 0 104 SER A OG  1 ? 
ATOM   778  N  N   . LEU A 1 105 ? -11.042 -2.987  8.819   1.000 13.777 0 105 LEU A N   1 ? 
ATOM   779  C  CA  . LEU A 1 105 ? -11.685 -2.073  9.755   1.000 14.064 0 105 LEU A CA  1 ? 
ATOM   780  C  C   . LEU A 1 105 ? -12.110 -2.843  10.988  1.000 13.782 0 105 LEU A C   1 ? 
ATOM   781  O  O   . LEU A 1 105 ? -12.324 -4.048  10.907  1.000 17.589 0 105 LEU A O   1 ? 
ATOM   782  C  CB  . LEU A 1 105 ? -12.867 -1.401  9.090   1.000 14.296 0 105 LEU A CB  1 ? 
ATOM   783  C  CG  . LEU A 1 105 ? -12.476 -0.526  7.899   1.000 17.488 0 105 LEU A CG  1 ? 
ATOM   784  C  CD1 . LEU A 1 105 ? -13.712 -0.118  7.135   1.000 19.711 0 105 LEU A CD1 1 ? 
ATOM   785  C  CD2 . LEU A 1 105 ? -11.733 0.705   8.355   1.000 17.394 0 105 LEU A CD2 1 ? 
ATOM   786  N  N   . PRO A 1 106 ? -12.237 -2.142  12.134  1.000 13.884 0 106 PRO A N   1 ? 
ATOM   787  C  CA  . PRO A 1 106 ? -12.613 -2.778  13.388  1.000 15.687 0 106 PRO A CA  1 ? 
ATOM   788  C  C   . PRO A 1 106 ? -14.102 -3.092  13.386  1.000 17.899 0 106 PRO A C   1 ? 
ATOM   789  O  O   . PRO A 1 106 ? -14.875 -2.399  12.748  1.000 17.309 0 106 PRO A O   1 ? 
ATOM   790  C  CB  . PRO A 1 106 ? -12.226 -1.806  14.486  1.000 15.143 0 106 PRO A CB  1 ? 
ATOM   791  C  CG  . PRO A 1 106 ? -12.088 -0.494  13.780  1.000 14.748 0 106 PRO A CG  1 ? 
ATOM   792  C  CD  . PRO A 1 106 ? -11.973 -0.708  12.271  1.000 14.903 0 106 PRO A CD  1 ? 
ATOM   793  N  N   . THR A 1 107 ? -14.467 -4.196  14.031  1.000 24.130 0 107 THR A N   1 ? 
ATOM   794  C  CA  . THR A 1 107 ? -15.883 -4.488  14.252  1.000 26.353 0 107 THR A CA  1 ? 
ATOM   795  C  C   . THR A 1 107 ? -16.240 -4.018  15.654  1.000 26.526 0 107 THR A C   1 ? 
ATOM   796  O  O   . THR A 1 107 ? -17.413 -3.808  15.948  1.000 29.930 0 107 THR A O   1 ? 
ATOM   797  C  CB  . THR A 1 107 ? -16.199 -5.974  14.060  1.000 25.702 0 107 THR A CB  1 ? 
ATOM   798  O  OG1 . THR A 1 107 ? -15.322 -6.638  14.956  1.000 28.170 0 107 THR A OG1 1 ? 
ATOM   799  C  CG2 . THR A 1 107 ? -15.903 -6.461  12.662  1.000 28.593 0 107 THR A CG2 1 ? 
ATOM   800  N  N   . SER A 1 108 ? -15.209 -3.862  16.490  1.000 24.797 0 108 SER A N   1 ? 
ATOM   801  C  CA  . SER A 1 108 ? -15.320 -3.346  17.835  1.000 27.463 0 108 SER A CA  1 ? 
ATOM   802  C  C   . SER A 1 108 ? -14.092 -2.503  18.148  1.000 23.557 0 108 SER A C   1 ? 
ATOM   803  O  O   . SER A 1 108 ? -13.040 -2.672  17.539  1.000 19.070 0 108 SER A O   1 ? 
ATOM   804  C  CB  . SER A 1 108 ? -15.450 -4.448  18.840  1.000 28.631 0 108 SER A CB  1 ? 
ATOM   805  O  OG  . SER A 1 108 ? -14.252 -4.603  19.582  1.000 29.954 0 108 SER A OG  1 ? 
ATOM   806  N  N   . CYS A 1 109 ? -14.253 -1.619  19.132  1.000 22.350 0 109 CYS A N   1 ? 
ATOM   807  C  CA  . CYS A 1 109 ? -13.222 -0.678  19.544  1.000 22.031 0 109 CYS A CA  1 ? 
ATOM   808  C  C   . CYS A 1 109 ? -12.133 -1.451  20.258  1.000 23.125 0 109 CYS A C   1 ? 
ATOM   809  O  O   . CYS A 1 109 ? -12.360 -2.572  20.719  1.000 26.025 0 109 CYS A O   1 ? 
ATOM   810  C  CB  . CYS A 1 109 ? -13.835 0.437   20.393  1.000 20.271 0 109 CYS A CB  1 ? 
ATOM   811  S  SG  . CYS A 1 109 ? -15.155 1.282   19.509  1.000 18.183 0 109 CYS A SG  1 ? 
ATOM   812  N  N   . ALA A 1 110 ? -10.938 -0.882  20.271  1.000 19.414 0 110 ALA A N   1 ? 
ATOM   813  C  CA  . ALA A 1 110 ? -9.894  -1.407  21.106  1.000 23.986 0 110 ALA A CA  1 ? 
ATOM   814  C  C   . ALA A 1 110 ? -10.036 -0.744  22.470  1.000 25.732 0 110 ALA A C   1 ? 
ATOM   815  O  O   . ALA A 1 110 ? -10.697 0.297   22.613  1.000 35.982 0 110 ALA A O   1 ? 
ATOM   816  C  CB  . ALA A 1 110 ? -8.564  -1.180  20.481  1.000 23.425 0 110 ALA A CB  1 ? 
ATOM   817  N  N   . SER A 1 111 ? -9.438  -1.411  23.432  1.000 23.904 0 111 SER A N   1 ? 
ATOM   818  C  CA  . SER A 1 111 ? -9.371  -0.995  24.823  1.000 27.167 0 111 SER A CA  1 ? 
ATOM   819  C  C   . SER A 1 111 ? -7.921  -0.673  25.224  1.000 26.664 0 111 SER A C   1 ? 
ATOM   820  O  O   . SER A 1 111 ? -6.951  -1.225  24.693  1.000 23.683 0 111 SER A O   1 ? 
ATOM   821  C  CB  . SER A 1 111 ? -9.953  -2.113  25.741  1.000 30.068 0 111 SER A CB  1 ? 
ATOM   822  O  OG  . SER A 1 111 ? -11.094 -2.748  25.170  1.000 36.567 0 111 SER A OG  1 ? 
ATOM   823  N  N   . ALA A 1 112 ? -7.804  0.217   26.219  1.000 24.951 0 112 ALA A N   1 ? 
ATOM   824  C  CA  . ALA A 1 112 ? -6.592  0.418   27.008  1.000 25.627 0 112 ALA A CA  1 ? 
ATOM   825  C  C   . ALA A 1 112 ? -5.872  -0.910  27.288  1.000 26.477 0 112 ALA A C   1 ? 
ATOM   826  O  O   . ALA A 1 112 ? -6.503  -1.907  27.654  1.000 24.086 0 112 ALA A O   1 ? 
ATOM   827  C  CB  . ALA A 1 112 ? -6.983  1.112   28.303  1.000 26.515 0 112 ALA A CB  1 ? 
ATOM   828  N  N   . GLY A 1 113 ? -4.540  -0.911  27.103  1.000 24.572 0 113 GLY A N   1 ? 
ATOM   829  C  CA  . GLY A 1 113 ? -3.728  -2.097  27.337  1.000 26.276 0 113 GLY A CA  1 ? 
ATOM   830  C  C   . GLY A 1 113 ? -3.278  -2.756  26.037  1.000 26.284 0 113 GLY A C   1 ? 
ATOM   831  O  O   . GLY A 1 113 ? -2.215  -3.355  25.974  1.000 28.891 0 113 GLY A O   1 ? 
ATOM   832  N  N   . THR A 1 114 ? -4.101  -2.657  24.994  1.000 24.479 0 114 THR A N   1 ? 
ATOM   833  C  CA  . THR A 1 114 ? -3.806  -3.309  23.722  1.000 26.955 0 114 THR A CA  1 ? 
ATOM   834  C  C   . THR A 1 114 ? -2.609  -2.616  23.062  1.000 25.853 0 114 THR A C   1 ? 
ATOM   835  O  O   . THR A 1 114 ? -2.601  -1.391  22.967  1.000 26.334 0 114 THR A O   1 ? 
ATOM   836  C  CB  . THR A 1 114 ? -5.085  -3.259  22.873  1.000 26.938 0 114 THR A CB  1 ? 
ATOM   837  O  OG1 . THR A 1 114 ? -6.061  -4.080  23.517  1.000 27.671 0 114 THR A OG1 1 ? 
ATOM   838  C  CG2 . THR A 1 114 ? -4.937  -3.769  21.444  1.000 24.392 0 114 THR A CG2 1 ? 
ATOM   839  N  N   . GLN A 1 115 ? -1.617  -3.405  22.647  1.000 21.777 0 115 GLN A N   1 ? 
ATOM   840  C  CA  . GLN A 1 115 ? -0.473  -2.946  21.883  1.000 26.673 0 115 GLN A CA  1 ? 
ATOM   841  C  C   . GLN A 1 115 ? -0.889  -2.738  20.422  1.000 23.115 0 115 GLN A C   1 ? 
ATOM   842  O  O   . GLN A 1 115 ? -1.781  -3.404  19.870  1.000 19.418 0 115 GLN A O   1 ? 
ATOM   843  C  CB  . GLN A 1 115 ? 0.745   -3.876  21.888  1.000 30.564 0 115 GLN A CB  1 ? 
ATOM   844  C  CG  . GLN A 1 115 ? 1.553   -3.926  23.191  1.000 40.198 0 115 GLN A CG  1 ? 
ATOM   845  C  CD  . GLN A 1 115 ? 2.610   -2.843  23.395  1.000 43.092 0 115 GLN A CD  1 ? 
ATOM   846  O  OE1 . GLN A 1 115 ? 3.511   -2.620  22.573  1.000 50.804 0 115 GLN A OE1 1 ? 
ATOM   847  N  NE2 . GLN A 1 115 ? 2.558   -2.183  24.545  1.000 37.363 0 115 GLN A NE2 1 ? 
ATOM   848  N  N   . CYS A 1 116 ? -0.234  -1.759  19.794  1.000 15.916 0 116 CYS A N   1 ? 
ATOM   849  C  CA  . CYS A 1 116 ? -0.603  -1.334  18.455  1.000 14.055 0 116 CYS A CA  1 ? 
ATOM   850  C  C   . CYS A 1 116 ? 0.670   -0.932  17.721  1.000 11.923 0 116 CYS A C   1 ? 
ATOM   851  O  O   . CYS A 1 116 ? 1.696   -0.631  18.334  1.000 14.826 0 116 CYS A O   1 ? 
ATOM   852  C  CB  . CYS A 1 116 ? -1.542  -0.155  18.495  1.000 13.034 0 116 CYS A CB  1 ? 
ATOM   853  S  SG  . CYS A 1 116 ? -3.075  -0.423  19.427  1.000 17.760 0 116 CYS A SG  1 ? 
ATOM   854  N  N   . LEU A 1 117 ? 0.579   -0.963  16.390  1.000 11.153 0 117 LEU A N   1 ? 
ATOM   855  C  CA  . LEU A 1 117 ? 1.696   -0.621  15.544  1.000 10.300 0 117 LEU A CA  1 ? 
ATOM   856  C  C   . LEU A 1 117 ? 1.339   0.676   14.859  1.000 9.431  0 117 LEU A C   1 ? 
ATOM   857  O  O   . LEU A 1 117 ? 0.320   0.754   14.168  1.000 9.028  0 117 LEU A O   1 ? 
ATOM   858  C  CB  . LEU A 1 117 ? 1.962   -1.737  14.534  1.000 10.042 0 117 LEU A CB  1 ? 
ATOM   859  C  CG  . LEU A 1 117 ? 3.155   -1.504  13.614  1.000 10.838 0 117 LEU A CG  1 ? 
ATOM   860  C  CD1 . LEU A 1 117 ? 4.469   -1.589  14.399  1.000 12.163 0 117 LEU A CD1 1 ? 
ATOM   861  C  CD2 . LEU A 1 117 ? 3.128   -2.483  12.448  1.000 11.535 0 117 LEU A CD2 1 ? 
ATOM   862  N  N   . ILE A 1 118 ? 2.199   1.674   15.067  1.000 9.916  0 118 ILE A N   1 ? 
ATOM   863  C  CA  . ILE A 1 118 ? 2.029   3.005   14.507  1.000 9.415  0 118 ILE A CA  1 ? 
ATOM   864  C  C   . ILE A 1 118 ? 3.177   3.190   13.540  1.000 9.006  0 118 ILE A C   1 ? 
ATOM   865  O  O   . ILE A 1 118 ? 4.296   2.790   13.846  1.000 9.427  0 118 ILE A O   1 ? 
ATOM   866  C  CB  . ILE A 1 118 ? 2.060   4.048   15.638  1.000 10.546 0 118 ILE A CB  1 ? 
ATOM   867  C  CG1 . ILE A 1 118 ? 1.070   3.669   16.742  1.000 11.764 0 118 ILE A CG1 1 ? 
ATOM   868  C  CG2 . ILE A 1 118 ? 1.815   5.435   15.059  1.000 11.235 0 118 ILE A CG2 1 ? 
ATOM   869  C  CD1 . ILE A 1 118 ? 1.109   4.616   17.941  1.000 14.458 0 118 ILE A CD1 1 ? 
ATOM   870  N  N   . SER A 1 119 ? 2.949   3.793   12.380  1.000 7.681  0 119 SER A N   1 ? 
ATOM   871  C  CA  . SER A 1 119 ? 4.001   3.825   11.378  1.000 8.651  0 119 SER A CA  1 ? 
ATOM   872  C  C   . SER A 1 119 ? 3.897   5.134   10.591  1.000 8.388  0 119 SER A C   1 ? 
ATOM   873  O  O   . SER A 1 119 ? 2.833   5.750   10.481  1.000 8.905  0 119 SER A O   1 ? 
ATOM   874  C  CB  . SER A 1 119 ? 3.930   2.598   10.495  1.000 8.268  0 119 SER A CB  1 ? 
ATOM   875  O  OG  . SER A 1 119 ? 2.606   2.391   10.011  1.000 9.626  0 119 SER A OG  1 ? 
ATOM   876  N  N   . GLY A 1 120 ? 5.017   5.554   10.024  1.000 8.746  0 120 GLY A N   1 ? 
ATOM   877  C  CA  . GLY A 1 120 ? 5.059   6.773   9.213   1.000 8.507  0 120 GLY A CA  1 ? 
ATOM   878  C  C   . GLY A 1 120 ? 6.443   7.279   8.824   1.000 9.588  0 120 GLY A C   1 ? 
ATOM   879  O  O   . GLY A 1 120 ? 7.464   6.795   9.301   1.000 9.869  0 120 GLY A O   1 ? 
ATOM   880  N  N   . TRP A 1 121 ? 6.456   8.338   7.993   1.000 8.576  0 121 TRP A N   1 ? 
ATOM   881  C  CA  . TRP A 1 121 ? 7.688   8.961   7.539   1.000 8.959  0 121 TRP A CA  1 ? 
ATOM   882  C  C   . TRP A 1 121 ? 7.869   10.315  8.230   1.000 9.447  0 121 TRP A C   1 ? 
ATOM   883  O  O   . TRP A 1 121 ? 8.521   11.191  7.676   1.000 10.204 0 121 TRP A O   1 ? 
ATOM   884  C  CB  . TRP A 1 121 ? 7.644   9.119   6.007   1.000 9.424  0 121 TRP A CB  1 ? 
ATOM   885  C  CG  . TRP A 1 121 ? 7.752   7.829   5.228   1.000 9.437  0 121 TRP A CG  1 ? 
ATOM   886  C  CD1 . TRP A 1 121 ? 8.907   7.208   4.854   1.000 9.360  0 121 TRP A CD1 1 ? 
ATOM   887  C  CD2 . TRP A 1 121 ? 6.718   7.006   4.661   1.000 9.771  0 121 TRP A CD2 1 ? 
ATOM   888  N  NE1 . TRP A 1 121 ? 8.671   6.056   4.154   1.000 10.733 0 121 TRP A NE1 1 ? 
ATOM   889  C  CE2 . TRP A 1 121 ? 7.329   5.920   3.985   1.000 9.456  0 121 TRP A CE2 1 ? 
ATOM   890  C  CE3 . TRP A 1 121 ? 5.326   7.120   4.599   1.000 9.258  0 121 TRP A CE3 1 ? 
ATOM   891  C  CZ2 . TRP A 1 121 ? 6.602   4.961   3.303   1.000 10.698 0 121 TRP A CZ2 1 ? 
ATOM   892  C  CZ3 . TRP A 1 121 ? 4.617   6.202   3.897   1.000 10.263 0 121 TRP A CZ3 1 ? 
ATOM   893  C  CH2 . TRP A 1 121 ? 5.238   5.117   3.258   1.000 11.052 0 121 TRP A CH2 1 ? 
ATOM   894  N  N   . GLY A 1 122 ? 7.236   10.504  9.386   1.000 10.304 0 122 GLY A N   1 ? 
ATOM   895  C  CA  . GLY A 1 122 ? 7.333   11.790  10.069  1.000 9.930  0 122 GLY A CA  1 ? 
ATOM   896  C  C   . GLY A 1 122 ? 8.674   12.005  10.781  1.000 10.069 0 122 GLY A C   1 ? 
ATOM   897  O  O   . GLY A 1 122 ? 9.574   11.164  10.761  1.000 10.664 0 122 GLY A O   1 ? 
ATOM   898  N  N   . ASN A 1 123 ? 8.798   13.179  11.407  1.000 11.848 0 123 ASN A N   1 ? 
ATOM   899  C  CA  . ASN A 1 123 ? 10.002  13.547  12.139  1.000 11.906 0 123 ASN A CA  1 ? 
ATOM   900  C  C   . ASN A 1 123 ? 10.402  12.450  13.136  1.000 13.026 0 123 ASN A C   1 ? 
ATOM   901  O  O   . ASN A 1 123 ? 9.563   11.909  13.843  1.000 11.092 0 123 ASN A O   1 ? 
ATOM   902  C  CB  . ASN A 1 123 ? 9.753   14.869  12.857  1.000 13.613 0 123 ASN A CB  1 ? 
ATOM   903  C  CG  . ASN A 1 123 ? 10.976  15.626  13.320  1.000 16.946 0 123 ASN A CG  1 ? 
ATOM   904  O  OD1 . ASN A 1 123 ? 12.102  15.135  13.390  1.000 17.216 0 123 ASN A OD1 1 ? 
ATOM   905  N  ND2 . ASN A 1 123 ? 10.759  16.889  13.670  1.000 23.205 0 123 ASN A ND2 1 ? 
ATOM   906  N  N   . THR A 1 124 ? 11.711  12.246  13.287  1.000 13.658 0 124 THR A N   1 ? 
ATOM   907  C  CA  . THR A 1 124 ? 12.256  11.277  14.237  1.000 14.431 0 124 THR A CA  1 ? 
ATOM   908  C  C   . THR A 1 124 ? 12.891  11.978  15.434  1.000 15.496 0 124 THR A C   1 ? 
ATOM   909  O  O   . THR A 1 124 ? 13.309  11.284  16.347  1.000 14.422 0 124 THR A O   1 ? 
ATOM   910  C  CB  . THR A 1 124 ? 13.254  10.328  13.556  1.000 13.782 0 124 THR A CB  1 ? 
ATOM   911  O  OG1 . THR A 1 124 ? 14.362  11.094  13.051  1.000 14.389 0 124 THR A OG1 1 ? 
ATOM   912  C  CG2 . THR A 1 124 ? 12.610  9.533   12.423  1.000 13.230 0 124 THR A CG2 1 ? 
ATOM   913  N  N   . LYS A 1 125 ? 12.883  13.316  15.506  1.000 17.058 0 125 LYS A N   1 ? 
ATOM   914  C  CA  . LYS A 1 125 ? 13.486  13.969  16.665  1.000 22.402 0 125 LYS A CA  1 ? 
ATOM   915  C  C   . LYS A 1 125 ? 12.419  14.704  17.468  1.000 23.691 0 125 LYS A C   1 ? 
ATOM   916  O  O   . LYS A 1 125 ? 11.492  15.280  16.910  1.000 24.491 0 125 LYS A O   1 ? 
ATOM   917  C  CB  . LYS A 1 125 ? 14.633  14.861  16.199  1.000 29.158 0 125 LYS A CB  1 ? 
ATOM   918  C  CG  . LYS A 1 125 ? 15.651  14.111  15.358  1.000 36.020 0 125 LYS A CG  1 ? 
ATOM   919  C  CD  . LYS A 1 125 ? 16.512  13.095  16.083  1.000 39.263 0 125 LYS A CD  1 ? 
ATOM   920  C  CE  . LYS A 1 125 ? 17.766  13.709  16.643  1.000 45.931 0 125 LYS A CE  1 ? 
ATOM   921  N  NZ  . LYS A 1 125 ? 18.698  14.186  15.615  1.000 46.332 0 125 LYS A NZ  1 ? 
ATOM   922  N  N   . SER A 1 126 ? 12.563  14.663  18.798  1.000 31.765 0 126 SER A N   1 ? 
ATOM   923  C  CA  . SER A 1 126 ? 11.643  15.306  19.722  1.000 38.378 0 126 SER A CA  1 ? 
ATOM   924  C  C   . SER A 1 126 ? 12.011  16.772  19.934  1.000 40.337 0 126 SER A C   1 ? 
ATOM   925  O  O   . SER A 1 126 ? 11.132  17.590  20.204  1.000 36.351 0 126 SER A O   1 ? 
ATOM   926  C  CB  . SER A 1 126 ? 11.652  14.588  21.049  1.000 45.063 0 126 SER A CB  1 ? 
ATOM   927  O  OG  . SER A 1 126 ? 10.787  15.242  21.969  1.000 53.539 0 126 SER A OG  1 ? 
ATOM   928  N  N   . SER A 1 127 ? 13.319  17.067  19.883  1.000 40.627 0 127 SER A N   1 ? 
ATOM   929  C  CA  . SER A 1 127 ? 13.830  18.411  20.100  1.000 47.612 0 127 SER A CA  1 ? 
ATOM   930  C  C   . SER A 1 127 ? 14.884  18.707  19.032  1.000 45.520 0 127 SER A C   1 ? 
ATOM   931  O  O   . SER A 1 127 ? 16.061  18.952  19.308  1.000 48.879 0 127 SER A O   1 ? 
ATOM   932  C  CB  . SER A 1 127 ? 14.346  18.571  21.519  1.000 53.921 0 127 SER A CB  1 ? 
ATOM   933  O  OG  . SER A 1 127 ? 14.023  19.865  22.013  1.000 66.922 0 127 SER A OG  1 ? 
ATOM   934  N  N   . GLY A 1 128 ? 14.406  18.712  17.789  1.000 35.013 0 128 GLY A N   1 ? 
ATOM   935  C  CA  . GLY A 1 128 ? 15.245  18.558  16.617  1.000 32.561 0 128 GLY A CA  1 ? 
ATOM   936  C  C   . GLY A 1 128 ? 14.345  18.339  15.411  1.000 31.230 0 128 GLY A C   1 ? 
ATOM   937  O  O   . GLY A 1 128 ? 13.124  18.334  15.565  1.000 30.838 0 128 GLY A O   1 ? 
ATOM   938  N  N   . THR A 1 129 ? 14.955  18.196  14.228  1.000 31.520 0 129 THR A N   1 ? 
ATOM   939  C  CA  . THR A 1 129 ? 14.218  17.840  13.024  1.000 30.942 0 129 THR A CA  1 ? 
ATOM   940  C  C   . THR A 1 129 ? 15.083  16.943  12.146  1.000 26.538 0 129 THR A C   1 ? 
ATOM   941  O  O   . THR A 1 129 ? 16.166  17.334  11.728  1.000 27.474 0 129 THR A O   1 ? 
ATOM   942  C  CB  . THR A 1 129 ? 13.741  19.090  12.287  1.000 35.432 0 129 THR A CB  1 ? 
ATOM   943  O  OG1 . THR A 1 129 ? 12.493  19.449  12.878  1.000 41.207 0 129 THR A OG1 1 ? 
ATOM   944  C  CG2 . THR A 1 129 ? 13.420  18.826  10.833  1.000 35.738 0 129 THR A CG2 1 ? 
ATOM   945  N  N   . SER A 1 130 ? 14.573  15.735  11.875  1.000 23.117 0 130 SER A N   1 ? 
ATOM   946  C  CA  . SER A 1 130 ? 15.197  14.817  10.934  1.000 20.827 0 130 SER A CA  1 ? 
ATOM   947  C  C   . SER A 1 130 ? 14.118  13.912  10.341  1.000 18.850 0 130 SER A C   1 ? 
ATOM   948  O  O   . SER A 1 130 ? 13.447  13.168  11.071  1.000 16.099 0 130 SER A O   1 ? 
ATOM   949  C  CB  . SER A 1 130 ? 16.293  13.993  11.527  1.000 22.662 0 130 SER A CB  1 ? 
ATOM   950  O  OG  . SER A 1 130 ? 16.914  13.215  10.505  1.000 21.327 0 130 SER A OG  1 ? 
ATOM   951  N  N   . TYR A 1 131 ? 13.952  14.027  9.020   1.000 15.800 0 131 TYR A N   1 ? 
ATOM   952  C  CA  . TYR A 1 131 ? 12.913  13.269  8.344   1.000 15.668 0 131 TYR A CA  1 ? 
ATOM   953  C  C   . TYR A 1 131 ? 13.560  12.061  7.673   1.000 16.189 0 131 TYR A C   1 ? 
ATOM   954  O  O   . TYR A 1 131 ? 14.549  12.184  6.937   1.000 15.826 0 131 TYR A O   1 ? 
ATOM   955  C  CB  . TYR A 1 131 ? 12.128  14.102  7.326   1.000 15.044 0 131 TYR A CB  1 ? 
ATOM   956  C  CG  . TYR A 1 131 ? 11.170  15.060  8.009   1.000 17.012 0 131 TYR A CG  1 ? 
ATOM   957  C  CD1 . TYR A 1 131 ? 11.630  16.242  8.596   1.000 17.042 0 131 TYR A CD1 1 ? 
ATOM   958  C  CD2 . TYR A 1 131 ? 9.830   14.719  8.162   1.000 17.972 0 131 TYR A CD2 1 ? 
ATOM   959  C  CE1 . TYR A 1 131 ? 10.755  17.108  9.234   1.000 17.269 0 131 TYR A CE1 1 ? 
ATOM   960  C  CE2 . TYR A 1 131 ? 8.964   15.559  8.836   1.000 20.388 0 131 TYR A CE2 1 ? 
ATOM   961  C  CZ  . TYR A 1 131 ? 9.419   16.769  9.345   1.000 18.613 0 131 TYR A CZ  1 ? 
ATOM   962  O  OH  . TYR A 1 131 ? 8.549   17.599  10.017  1.000 22.387 0 131 TYR A OH  1 ? 
ATOM   963  N  N   . PRO A 1 132 ? 13.054  10.836  7.953   1.000 15.459 0 132 PRO A N   1 ? 
ATOM   964  C  CA  . PRO A 1 132 ? 13.608  9.626   7.387   1.000 13.760 0 132 PRO A CA  1 ? 
ATOM   965  C  C   . PRO A 1 132 ? 13.124  9.468   5.947   1.000 13.646 0 132 PRO A C   1 ? 
ATOM   966  O  O   . PRO A 1 132 ? 12.105  9.993   5.520   1.000 18.613 0 132 PRO A O   1 ? 
ATOM   967  C  CB  . PRO A 1 132 ? 13.023  8.547   8.295   1.000 14.327 0 132 PRO A CB  1 ? 
ATOM   968  C  CG  . PRO A 1 132 ? 11.610  9.048   8.560   1.000 14.586 0 132 PRO A CG  1 ? 
ATOM   969  C  CD  . PRO A 1 132 ? 11.811  10.558  8.689   1.000 13.745 0 132 PRO A CD  1 ? 
ATOM   970  N  N   . ASP A 1 133 ? 13.862  8.661   5.227   1.000 13.118 0 133 ASP A N   1 ? 
ATOM   971  C  CA  . ASP A 1 133 ? 13.491  8.268   3.877   1.000 14.007 0 133 ASP A CA  1 ? 
ATOM   972  C  C   . ASP A 1 133 ? 12.674  6.974   3.910   1.000 12.476 0 133 ASP A C   1 ? 
ATOM   973  O  O   . ASP A 1 133 ? 11.818  6.768   3.041   1.000 11.424 0 133 ASP A O   1 ? 
ATOM   974  C  CB  . ASP A 1 133 ? 14.708  8.189   2.973   1.000 16.289 0 133 ASP A CB  1 ? 
ATOM   975  C  CG  . ASP A 1 133 ? 15.470  9.499   2.826   1.000 21.802 0 133 ASP A CG  1 ? 
ATOM   976  O  OD1 . ASP A 1 133 ? 14.823  10.504  2.521   1.000 20.761 0 133 ASP A OD1 1 ? 
ATOM   977  O  OD2 . ASP A 1 133 ? 16.697  9.487   3.089   1.000 25.321 0 133 ASP A OD2 1 ? 
ATOM   978  N  N   . VAL A 1 134 ? 13.006  6.056   4.840   1.000 11.232 0 134 VAL A N   1 ? 
ATOM   979  C  CA  . VAL A 1 134 ? 12.365  4.748   4.961   1.000 11.933 0 134 VAL A CA  1 ? 
ATOM   980  C  C   . VAL A 1 134 ? 11.330  4.777   6.086   1.000 10.218 0 134 VAL A C   1 ? 
ATOM   981  O  O   . VAL A 1 134 ? 11.357  5.634   6.948   1.000 11.326 0 134 VAL A O   1 ? 
ATOM   982  C  CB  . VAL A 1 134 ? 13.358  3.588   5.152   1.000 12.483 0 134 VAL A CB  1 ? 
ATOM   983  C  CG1 . VAL A 1 134 ? 14.331  3.533   3.964   1.000 15.050 0 134 VAL A CG1 1 ? 
ATOM   984  C  CG2 . VAL A 1 134 ? 14.093  3.709   6.484   1.000 13.266 0 134 VAL A CG2 1 ? 
ATOM   985  N  N   . LEU A 1 135 ? 10.355  3.866   5.997   1.000 10.394 0 135 LEU A N   1 ? 
ATOM   986  C  CA  . LEU A 1 135 ? 9.238   3.844   6.919   1.000 10.161 0 135 LEU A CA  1 ? 
ATOM   987  C  C   . LEU A 1 135 ? 9.706   3.462   8.322   1.000 9.705  0 135 LEU A C   1 ? 
ATOM   988  O  O   . LEU A 1 135 ? 10.401  2.454   8.500   1.000 9.339  0 135 LEU A O   1 ? 
ATOM   989  C  CB  . LEU A 1 135 ? 8.203   2.867   6.380   1.000 10.033 0 135 LEU A CB  1 ? 
ATOM   990  C  CG  . LEU A 1 135 ? 6.876   2.820   7.121   1.000 10.184 0 135 LEU A CG  1 ? 
ATOM   991  C  CD1 . LEU A 1 135 ? 6.109   4.149   7.022   1.000 9.500  0 135 LEU A CD1 1 ? 
ATOM   992  C  CD2 . LEU A 1 135 ? 5.998   1.644   6.611   1.000 11.547 0 135 LEU A CD2 1 ? 
ATOM   993  N  N   . LYS A 1 136 ? 9.216   4.207   9.314   1.000 9.880  0 136 LYS A N   1 ? 
ATOM   994  C  CA  . LYS A 1 136 ? 9.523   3.955   10.714  1.000 10.195 0 136 LYS A CA  1 ? 
ATOM   995  C  C   . LYS A 1 136 ? 8.276   3.433   11.405  1.000 10.414 0 136 LYS A C   1 ? 
ATOM   996  O  O   . LYS A 1 136 ? 7.165   3.720   10.990  1.000 9.368  0 136 LYS A O   1 ? 
ATOM   997  C  CB  . LYS A 1 136 ? 10.049  5.199   11.445  1.000 11.848 0 136 LYS A CB  1 ? 
ATOM   998  C  CG  . LYS A 1 136 ? 11.362  5.716   10.851  1.000 13.131 0 136 LYS A CG  1 ? 
ATOM   999  C  CD  . LYS A 1 136 ? 12.561  4.862   11.253  1.000 16.244 0 136 LYS A CD  1 ? 
ATOM   1000 C  CE  . LYS A 1 136 ? 13.844  5.233   10.589  1.000 19.669 0 136 LYS A CE  1 ? 
ATOM   1001 N  NZ  . LYS A 1 136 ? 14.909  4.550   11.322  1.000 20.405 0 136 LYS A NZ  1 ? 
ATOM   1002 N  N   . CYS A 1 137 ? 8.502   2.665   12.473  1.000 9.570  0 137 CYS A N   1 ? 
ATOM   1003 C  CA  . CYS A 1 137 ? 7.482   1.919   13.190  1.000 9.426  0 137 CYS A CA  1 ? 
ATOM   1004 C  C   . CYS A 1 137 ? 7.678   2.139   14.691  1.000 9.373  0 137 CYS A C   1 ? 
ATOM   1005 O  O   . CYS A 1 137 ? 8.800   2.278   15.146  1.000 10.393 0 137 CYS A O   1 ? 
ATOM   1006 C  CB  . CYS A 1 137 ? 7.592   0.429   12.919  1.000 10.184 0 137 CYS A CB  1 ? 
ATOM   1007 S  SG  . CYS A 1 137 ? 6.738   -0.178  11.429  1.000 10.369 0 137 CYS A SG  1 ? 
ATOM   1008 N  N   . LEU A 1 138 ? 6.579   2.107   15.421  1.000 8.730  0 138 LEU A N   1 ? 
ATOM   1009 C  CA  . LEU A 1 138 ? 6.568   2.119   16.877  1.000 9.876  0 138 LEU A CA  1 ? 
ATOM   1010 C  C   . LEU A 1 138 ? 5.443   1.233   17.375  1.000 9.002  0 138 LEU A C   1 ? 
ATOM   1011 O  O   . LEU A 1 138 ? 4.307   1.303   16.929  1.000 10.213 0 138 LEU A O   1 ? 
ATOM   1012 C  CB  . LEU A 1 138 ? 6.342   3.542   17.349  1.000 10.456 0 138 LEU A CB  1 ? 
ATOM   1013 C  CG  . LEU A 1 138 ? 6.220   3.744   18.865  1.000 10.826 0 138 LEU A CG  1 ? 
ATOM   1014 C  CD1 . LEU A 1 138 ? 7.589   3.551   19.473  1.000 11.990 0 138 LEU A CD1 1 ? 
ATOM   1015 C  CD2 . LEU A 1 138 ? 5.687   5.140   19.130  1.000 11.380 0 138 LEU A CD2 1 ? 
ATOM   1016 N  N   . LYS A 1 139 ? 5.770   0.380   18.351  1.000 9.684  0 139 LYS A N   1 ? 
ATOM   1017 C  CA  . LYS A 1 139 ? 4.781   -0.378  19.071  1.000 10.164 0 139 LYS A CA  1 ? 
ATOM   1018 C  C   . LYS A 1 139 ? 4.451   0.417   20.321  1.000 11.189 0 139 LYS A C   1 ? 
ATOM   1019 O  O   . LYS A 1 139 ? 5.354   0.791   21.068  1.000 12.665 0 139 LYS A O   1 ? 
ATOM   1020 C  CB  . LYS A 1 139 ? 5.282   -1.794  19.367  1.000 10.996 0 139 LYS A CB  1 ? 
ATOM   1021 C  CG  . LYS A 1 139 ? 5.460   -2.636  18.123  1.000 10.737 0 139 LYS A CG  1 ? 
ATOM   1022 C  CD  . LYS A 1 139 ? 5.856   -4.071  18.488  1.000 10.754 0 139 LYS A CD  1 ? 
ATOM   1023 C  CE  . LYS A 1 139 ? 5.965   -4.919  17.216  1.000 11.613 0 139 LYS A CE  1 ? 
ATOM   1024 N  NZ  . LYS A 1 139 ? 6.315   -6.285  17.627  1.000 11.866 0 139 LYS A NZ  1 ? 
ATOM   1025 N  N   . ALA A 1 140 ? 3.148   0.599   20.556  1.000 12.800 0 140 ALA A N   1 ? 
ATOM   1026 C  CA  . ALA A 1 140 ? 2.690   1.429   21.657  1.000 13.641 0 140 ALA A CA  1 ? 
ATOM   1027 C  C   . ALA A 1 140 ? 1.316   0.967   22.109  1.000 12.084 0 140 ALA A C   1 ? 
ATOM   1028 O  O   . ALA A 1 140 ? 0.445   0.585   21.313  1.000 12.553 0 140 ALA A O   1 ? 
ATOM   1029 C  CB  . ALA A 1 140 ? 2.632   2.866   21.178  1.000 15.301 0 140 ALA A CB  1 ? 
ATOM   1030 N  N   . PRO A 1 141 ? 1.048   1.040   23.411  1.000 12.662 0 141 PRO A N   1 ? 
ATOM   1031 C  CA  . PRO A 1 141 ? -0.272  0.722   23.927  1.000 12.864 0 141 PRO A CA  1 ? 
ATOM   1032 C  C   . PRO A 1 141 ? -1.263  1.876   23.884  1.000 11.945 0 141 PRO A C   1 ? 
ATOM   1033 O  O   . PRO A 1 141 ? -0.895  3.049   23.986  1.000 12.510 0 141 PRO A O   1 ? 
ATOM   1034 C  CB  . PRO A 1 141 ? 0.114   0.363   25.394  1.000 13.855 0 141 PRO A CB  1 ? 
ATOM   1035 C  CG  . PRO A 1 141 ? 1.233   1.304   25.729  1.000 14.629 0 141 PRO A CG  1 ? 
ATOM   1036 C  CD  . PRO A 1 141 ? 2.041   1.397   24.436  1.000 14.019 0 141 PRO A CD  1 ? 
ATOM   1037 N  N   . ILE A 1 142 ? -2.531  1.499   23.833  1.000 12.981 0 142 ILE A N   1 ? 
ATOM   1038 C  CA  . ILE A 1 142 ? -3.592  2.433   24.104  1.000 12.553 0 142 ILE A CA  1 ? 
ATOM   1039 C  C   . ILE A 1 142 ? -3.571  2.793   25.589  1.000 13.866 0 142 ILE A C   1 ? 
ATOM   1040 O  O   . ILE A 1 142 ? -3.338  1.919   26.419  1.000 15.778 0 142 ILE A O   1 ? 
ATOM   1041 C  CB  . ILE A 1 142 ? -4.910  1.805   23.640  1.000 14.263 0 142 ILE A CB  1 ? 
ATOM   1042 C  CG1 . ILE A 1 142 ? -4.901  1.575   22.088  1.000 15.651 0 142 ILE A CG1 1 ? 
ATOM   1043 C  CG2 . ILE A 1 142 ? -6.094  2.640   24.072  1.000 16.329 0 142 ILE A CG2 1 ? 
ATOM   1044 C  CD1 . ILE A 1 142 ? -6.049  0.712   21.597  1.000 18.081 0 142 ILE A CD1 1 ? 
ATOM   1045 N  N   . LEU A 1 143 ? -3.773  4.069   25.884  1.000 13.596 0 143 LEU A N   1 ? 
ATOM   1046 C  CA  . LEU A 1 143 ? -3.867  4.551   27.250  1.000 13.699 0 143 LEU A CA  1 ? 
ATOM   1047 C  C   . LEU A 1 143 ? -5.335  4.680   27.649  1.000 15.127 0 143 LEU A C   1 ? 
ATOM   1048 O  O   . LEU A 1 143 ? -6.223  4.824   26.805  1.000 14.636 0 143 LEU A O   1 ? 
ATOM   1049 C  CB  . LEU A 1 143 ? -3.145  5.893   27.342  1.000 14.305 0 143 LEU A CB  1 ? 
ATOM   1050 C  CG  . LEU A 1 143 ? -1.635  5.834   27.073  1.000 16.989 0 143 LEU A CG  1 ? 
ATOM   1051 C  CD1 . LEU A 1 143 ? -1.002  7.198   26.811  1.000 19.560 0 143 LEU A CD1 1 ? 
ATOM   1052 C  CD2 . LEU A 1 143 ? -0.867  5.119   28.188  1.000 19.843 0 143 LEU A CD2 1 ? 
ATOM   1053 N  N   . SER A 1 144 ? -5.564  4.665   28.965  1.000 14.413 0 144 SER A N   1 ? 
ATOM   1054 C  CA  . SER A 1 144 ? -6.905  4.831   29.496  1.000 16.134 0 144 SER A CA  1 ? 
ATOM   1055 C  C   . SER A 1 144 ? -7.455  6.216   29.131  1.000 15.132 0 144 SER A C   1 ? 
ATOM   1056 O  O   . SER A 1 144 ? -6.720  7.193   29.024  1.000 15.550 0 144 SER A O   1 ? 
ATOM   1057 C  CB  . SER A 1 144 ? -6.911  4.620   31.004  1.000 17.371 0 144 SER A CB  1 ? 
ATOM   1058 O  OG  . SER A 1 144 ? -6.139  5.625   31.644  1.000 19.354 0 144 SER A OG  1 ? 
ATOM   1059 N  N   . ASP A 1 145 ? -8.779  6.303   28.973  1.000 16.858 0 145 ASP A N   1 ? 
ATOM   1060 C  CA  . ASP A 1 145 ? -9.478  7.547   28.724  1.000 17.724 0 145 ASP A CA  1 ? 
ATOM   1061 C  C   . ASP A 1 145 ? -9.157  8.533   29.847  1.000 18.352 0 145 ASP A C   1 ? 
ATOM   1062 O  O   . ASP A 1 145 ? -8.924  9.715   29.602  1.000 16.299 0 145 ASP A O   1 ? 
ATOM   1063 C  CB  . ASP A 1 145 ? -10.973 7.298   28.605  1.000 21.647 0 145 ASP A CB  1 ? 
ATOM   1064 C  CG  . ASP A 1 145 ? -11.836 8.505   28.251  1.000 27.758 0 145 ASP A CG  1 ? 
ATOM   1065 O  OD1 . ASP A 1 145 ? -11.520 9.221   27.243  1.000 28.835 0 145 ASP A OD1 1 ? 
ATOM   1066 O  OD2 . ASP A 1 145 ? -12.847 8.720   28.969  1.000 28.412 0 145 ASP A OD2 1 ? 
ATOM   1067 N  N   . SER A 1 146 ? -9.081  8.055   31.091  1.000 19.921 0 146 SER A N   1 ? 
ATOM   1068 C  CA  . SER A 1 146 ? -8.797  8.976   32.182  1.000 20.063 0 146 SER A CA  1 ? 
ATOM   1069 C  C   . SER A 1 146 ? -7.381  9.553   32.088  1.000 18.362 0 146 SER A C   1 ? 
ATOM   1070 O  O   . SER A 1 146 ? -7.208  10.759  32.274  1.000 17.800 0 146 SER A O   1 ? 
ATOM   1071 C  CB  . SER A 1 146 ? -9.075  8.380   33.553  1.000 21.477 0 146 SER A CB  1 ? 
ATOM   1072 O  OG  . SER A 1 146 ? -8.135  7.363   33.862  1.000 28.592 0 146 SER A OG  1 ? 
ATOM   1073 N  N   . SER A 1 147 ? -6.355  8.754   31.758  1.000 16.764 0 147 SER A N   1 ? 
ATOM   1074 C  CA  . SER A 1 147 ? -5.012  9.318   31.687  1.000 18.305 0 147 SER A CA  1 ? 
ATOM   1075 C  C   . SER A 1 147 ? -4.860  10.209  30.446  1.000 16.627 0 147 SER A C   1 ? 
ATOM   1076 O  O   . SER A 1 147 ? -4.146  11.221  30.470  1.000 16.839 0 147 SER A O   1 ? 
ATOM   1077 C  CB  . SER A 1 147 ? -3.957  8.266   31.778  1.000 22.181 0 147 SER A CB  1 ? 
ATOM   1078 O  OG  . SER A 1 147 ? -3.727  7.684   30.517  1.000 24.155 0 147 SER A OG  1 ? 
ATOM   1079 N  N   . CYS A 1 148 ? -5.637  9.892   29.390  1.000 15.333 0 148 CYS A N   1 ? 
ATOM   1080 C  CA  . CYS A 1 148 ? -5.697  10.729  28.202  1.000 14.729 0 148 CYS A CA  1 ? 
ATOM   1081 C  C   . CYS A 1 148 ? -6.263  12.106  28.555  1.000 14.832 0 148 CYS A C   1 ? 
ATOM   1082 O  O   . CYS A 1 148 ? -5.662  13.129  28.250  1.000 16.593 0 148 CYS A O   1 ? 
ATOM   1083 C  CB  . CYS A 1 148 ? -6.499  10.022  27.102  1.000 14.578 0 148 CYS A CB  1 ? 
ATOM   1084 S  SG  . CYS A 1 148 ? -6.347  10.774  25.463  1.000 12.214 0 148 CYS A SG  1 ? 
ATOM   1085 N  N   . LYS A 1 149 ? -7.399  12.126  29.251  1.000 15.671 0 149 LYS A N   1 ? 
ATOM   1086 C  CA  . LYS A 1 149 ? -8.062  13.368  29.623  1.000 17.047 0 149 LYS A CA  1 ? 
ATOM   1087 C  C   . LYS A 1 149 ? -7.253  14.158  30.647  1.000 16.952 0 149 LYS A C   1 ? 
ATOM   1088 O  O   . LYS A 1 149 ? -7.256  15.389  30.608  1.000 17.805 0 149 LYS A O   1 ? 
ATOM   1089 C  CB  . LYS A 1 149 ? -9.494  13.079  30.077  1.000 16.974 0 149 LYS A CB  1 ? 
ATOM   1090 C  CG  . LYS A 1 149 ? -10.417 12.681  28.939  1.000 19.232 0 149 LYS A CG  1 ? 
ATOM   1091 C  CD  . LYS A 1 149 ? -11.777 12.260  29.447  1.000 22.363 0 149 LYS A CD  1 ? 
ATOM   1092 C  CE  . LYS A 1 149 ? -12.763 12.327  28.330  1.000 25.774 0 149 LYS A CE  1 ? 
ATOM   1093 N  NZ  . LYS A 1 149 ? -13.962 11.569  28.742  1.000 28.649 0 149 LYS A NZ  1 ? 
ATOM   1094 N  N   . SER A 1 150 ? -6.529  13.465  31.537  1.000 16.779 0 150 SER A N   1 ? 
ATOM   1095 C  CA  . SER A 1 150 ? -5.667  14.141  32.496  1.000 17.651 0 150 SER A CA  1 ? 
ATOM   1096 C  C   . SER A 1 150 ? -4.457  14.776  31.821  1.000 16.649 0 150 SER A C   1 ? 
ATOM   1097 O  O   . SER A 1 150 ? -3.975  15.814  32.277  1.000 19.316 0 150 SER A O   1 ? 
ATOM   1098 C  CB  . SER A 1 150 ? -5.200  13.195  33.567  1.000 21.338 0 150 SER A CB  1 ? 
ATOM   1099 O  OG  . SER A 1 150 ? -6.308  12.869  34.384  1.000 28.981 0 150 SER A OG  1 ? 
ATOM   1100 N  N   . ALA A 1 151 ? -3.974  14.163  30.718  1.000 14.008 0 151 ALA A N   1 ? 
ATOM   1101 C  CA  . ALA A 1 151 ? -2.876  14.725  29.940  1.000 15.099 0 151 ALA A CA  1 ? 
ATOM   1102 C  C   . ALA A 1 151 ? -3.306  15.982  29.179  1.000 15.221 0 151 ALA A C   1 ? 
ATOM   1103 O  O   . ALA A 1 151 ? -2.511  16.899  29.008  1.000 15.953 0 151 ALA A O   1 ? 
ATOM   1104 C  CB  . ALA A 1 151 ? -2.332  13.672  28.987  1.000 15.347 0 151 ALA A CB  1 ? 
ATOM   1105 N  N   . TYR A 1 152 ? -4.546  15.991  28.692  1.000 13.480 0 152 TYR A N   1 ? 
ATOM   1106 C  CA  . TYR A 1 152 ? -5.044  17.065  27.848  1.000 14.502 0 152 TYR A CA  1 ? 
ATOM   1107 C  C   . TYR A 1 152 ? -6.417  17.513  28.327  1.000 15.284 0 152 TYR A C   1 ? 
ATOM   1108 O  O   . TYR A 1 152 ? -7.422  17.237  27.717  1.000 14.331 0 152 TYR A O   1 ? 
ATOM   1109 C  CB  . TYR A 1 152 ? -5.172  16.567  26.408  1.000 13.648 0 152 TYR A CB  1 ? 
ATOM   1110 C  CG  . TYR A 1 152 ? -3.854  16.239  25.733  1.000 13.304 0 152 TYR A CG  1 ? 
ATOM   1111 C  CD1 . TYR A 1 152 ? -3.040  17.247  25.251  1.000 12.960 0 152 TYR A CD1 1 ? 
ATOM   1112 C  CD2 . TYR A 1 152 ? -3.469  14.932  25.525  1.000 11.500 0 152 TYR A CD2 1 ? 
ATOM   1113 C  CE1 . TYR A 1 152 ? -1.840  16.968  24.642  1.000 13.959 0 152 TYR A CE1 1 ? 
ATOM   1114 C  CE2 . TYR A 1 152 ? -2.269  14.618  24.908  1.000 10.447 0 152 TYR A CE2 1 ? 
ATOM   1115 C  CZ  . TYR A 1 152 ? -1.482  15.646  24.420  1.000 11.075 0 152 TYR A CZ  1 ? 
ATOM   1116 O  OH  . TYR A 1 152 ? -0.300  15.402  23.811  1.000 12.939 0 152 TYR A OH  1 ? 
ATOM   1117 N  N   . PRO A 1 153 ? -6.512  18.182  29.489  1.000 16.099 0 153 PRO A N   1 ? 
ATOM   1118 C  CA  . PRO A 1 153 ? -7.800  18.599  30.027  1.000 18.534 0 153 PRO A CA  1 ? 
ATOM   1119 C  C   . PRO A 1 153 ? -8.612  19.453  29.056  1.000 15.622 0 153 PRO A C   1 ? 
ATOM   1120 O  O   . PRO A 1 153 ? -8.068  20.292  28.370  1.000 16.097 0 153 PRO A O   1 ? 
ATOM   1121 C  CB  . PRO A 1 153 ? -7.445  19.385  31.320  1.000 19.502 0 153 PRO A CB  1 ? 
ATOM   1122 C  CG  . PRO A 1 153 ? -5.919  19.461  31.363  1.000 17.624 0 153 PRO A CG  1 ? 
ATOM   1123 C  CD  . PRO A 1 153 ? -5.351  18.541  30.310  1.000 18.361 0 153 PRO A CD  1 ? 
ATOM   1124 N  N   . GLY A 1 154 ? -9.890  19.088  28.916  1.000 16.836 0 154 GLY A N   1 ? 
ATOM   1125 C  CA  . GLY A 1 154 ? -10.859 19.804  28.121  1.000 18.997 0 154 GLY A CA  1 ? 
ATOM   1126 C  C   . GLY A 1 154 ? -10.706 19.597  26.609  1.000 19.481 0 154 GLY A C   1 ? 
ATOM   1127 O  O   . GLY A 1 154 ? -11.321 20.349  25.870  1.000 22.591 0 154 GLY A O   1 ? 
ATOM   1128 N  N   . GLN A 1 155 ? -9.865  18.647  26.153  1.000 15.042 0 155 GLN A N   1 ? 
ATOM   1129 C  CA  . GLN A 1 155 ? -9.564  18.545  24.717  1.000 14.058 0 155 GLN A CA  1 ? 
ATOM   1130 C  C   . GLN A 1 155 ? -9.884  17.186  24.113  1.000 12.957 0 155 GLN A C   1 ? 
ATOM   1131 O  O   . GLN A 1 155 ? -9.893  17.060  22.892  1.000 13.402 0 155 GLN A O   1 ? 
ATOM   1132 C  CB  . GLN A 1 155 ? -8.091  18.818  24.443  1.000 14.620 0 155 GLN A CB  1 ? 
ATOM   1133 C  CG  . GLN A 1 155 ? -7.628  20.201  24.926  1.000 16.542 0 155 GLN A CG  1 ? 
ATOM   1134 C  CD  . GLN A 1 155 ? -6.138  20.349  25.171  1.000 18.152 0 155 GLN A CD  1 ? 
ATOM   1135 O  OE1 . GLN A 1 155 ? -5.339  20.317  24.242  1.000 22.317 0 155 GLN A OE1 1 ? 
ATOM   1136 N  NE2 . GLN A 1 155 ? -5.748  20.490  26.439  1.000 22.189 0 155 GLN A NE2 1 ? 
ATOM   1137 N  N   . ILE A 1 156 ? -10.118 16.154  24.936  1.000 11.362 0 156 ILE A N   1 ? 
ATOM   1138 C  CA  . ILE A 1 156 ? -10.319 14.805  24.417  1.000 11.843 0 156 ILE A CA  1 ? 
ATOM   1139 C  C   . ILE A 1 156 ? -11.807 14.526  24.290  1.000 12.094 0 156 ILE A C   1 ? 
ATOM   1140 O  O   . ILE A 1 156 ? -12.534 14.480  25.290  1.000 15.172 0 156 ILE A O   1 ? 
ATOM   1141 C  CB  . ILE A 1 156 ? -9.595  13.818  25.339  1.000 13.324 0 156 ILE A CB  1 ? 
ATOM   1142 C  CG1 . ILE A 1 156 ? -8.125  14.127  25.478  1.000 13.910 0 156 ILE A CG1 1 ? 
ATOM   1143 C  CG2 . ILE A 1 156 ? -9.835  12.370  24.907  1.000 12.962 0 156 ILE A CG2 1 ? 
ATOM   1144 C  CD1 . ILE A 1 156 ? -7.333  14.112  24.175  1.000 14.050 0 156 ILE A CD1 1 ? 
ATOM   1145 N  N   . THR A 1 157 ? -12.272 14.316  23.046  1.000 10.986 0 157 THR A N   1 ? 
ATOM   1146 C  CA  . THR A 1 157 ? -13.649 13.941  22.791  1.000 10.762 0 157 THR A CA  1 ? 
ATOM   1147 C  C   . THR A 1 157 ? -13.752 12.405  22.737  1.000 10.899 0 157 THR A C   1 ? 
ATOM   1148 O  O   . THR A 1 157 ? -12.764 11.664  22.709  1.000 11.140 0 157 THR A O   1 ? 
ATOM   1149 C  CB  . THR A 1 157 ? -14.139 14.559  21.475  1.000 10.612 0 157 THR A CB  1 ? 
ATOM   1150 O  OG1 . THR A 1 157 ? -13.489 13.843  20.426  1.000 10.593 0 157 THR A OG1 1 ? 
ATOM   1151 C  CG2 . THR A 1 157 ? -13.818 16.047  21.347  1.000 11.088 0 157 THR A CG2 1 ? 
ATOM   1152 N  N   . SER A 1 158 ? -14.993 11.968  22.599  1.000 11.798 0 158 SER A N   1 ? 
ATOM   1153 C  CA  . SER A 1 158 ? -15.347 10.578  22.461  1.000 11.961 0 158 SER A CA  1 ? 
ATOM   1154 C  C   . SER A 1 158 ? -14.830 9.982   21.147  1.000 11.661 0 158 SER A C   1 ? 
ATOM   1155 O  O   . SER A 1 158 ? -14.928 8.780   20.979  1.000 13.400 0 158 SER A O   1 ? 
ATOM   1156 C  CB  . SER A 1 158 ? -16.842 10.402  22.564  1.000 12.951 0 158 SER A CB  1 ? 
ATOM   1157 O  OG  . SER A 1 158 ? -17.536 10.984  21.461  1.000 17.656 0 158 SER A OG  1 ? 
ATOM   1158 N  N   . ASN A 1 159 ? -14.262 10.821  20.238  1.000 11.064 0 159 ASN A N   1 ? 
ATOM   1159 C  CA  . ASN A 1 159 ? -13.762 10.377  18.949  1.000 10.082 0 159 ASN A CA  1 ? 
ATOM   1160 C  C   . ASN A 1 159 ? -12.242 10.362  18.934  1.000 10.329 0 159 ASN A C   1 ? 
ATOM   1161 O  O   . ASN A 1 159 ? -11.663 10.256  17.850  1.000 9.961  0 159 ASN A O   1 ? 
ATOM   1162 C  CB  . ASN A 1 159 ? -14.284 11.255  17.820  1.000 11.511 0 159 ASN A CB  1 ? 
ATOM   1163 C  CG  . ASN A 1 159 ? -15.797 11.292  17.820  1.000 11.258 0 159 ASN A CG  1 ? 
ATOM   1164 O  OD1 . ASN A 1 159 ? -16.423 10.230  17.734  1.000 12.642 0 159 ASN A OD1 1 ? 
ATOM   1165 N  ND2 . ASN A 1 159 ? -16.400 12.481  17.834  1.000 12.949 0 159 ASN A ND2 1 ? 
ATOM   1166 N  N   . MET A 1 160 ? -11.636 10.370  20.131  1.000 10.407 0 160 MET A N   1 ? 
ATOM   1167 C  CA  . MET A 1 160 ? -10.193 10.439  20.285  1.000 9.826  0 160 MET A CA  1 ? 
ATOM   1168 C  C   . MET A 1 160 ? -9.759  9.433   21.339  1.000 11.168 0 160 MET A C   1 ? 
ATOM   1169 O  O   . MET A 1 160 ? -10.505 9.151   22.283  1.000 12.813 0 160 MET A O   1 ? 
ATOM   1170 C  CB  . MET A 1 160 ? -9.741  11.825  20.759  1.000 9.835  0 160 MET A CB  1 ? 
ATOM   1171 C  CG  . MET A 1 160 ? -10.039 12.938  19.743  1.000 10.389 0 160 MET A CG  1 ? 
ATOM   1172 S  SD  . MET A 1 160 ? -9.670  14.534  20.490  1.000 10.001 0 160 MET A SD  1 ? 
ATOM   1173 C  CE  . MET A 1 160 ? -10.526 15.623  19.338  1.000 10.629 0 160 MET A CE  1 ? 
ATOM   1174 N  N   . PHE A 1 161 ? -8.552  8.898   21.160  1.000 10.693 0 161 PHE A N   1 ? 
ATOM   1175 C  CA  . PHE A 1 161 ? -7.902  8.145   22.216  1.000 10.525 0 161 PHE A CA  1 ? 
ATOM   1176 C  C   . PHE A 1 161 ? -6.419  8.459   22.189  1.000 11.262 0 161 PHE A C   1 ? 
ATOM   1177 O  O   . PHE A 1 161 ? -5.867  8.916   21.185  1.000 11.987 0 161 PHE A O   1 ? 
ATOM   1178 C  CB  . PHE A 1 161 ? -8.073  6.632   22.108  1.000 11.266 0 161 PHE A CB  1 ? 
ATOM   1179 C  CG  . PHE A 1 161 ? -7.452  5.948   20.907  1.000 10.399 0 161 PHE A CG  1 ? 
ATOM   1180 C  CD1 . PHE A 1 161 ? -8.121  5.906   19.682  1.000 11.256 0 161 PHE A CD1 1 ? 
ATOM   1181 C  CD2 . PHE A 1 161 ? -6.216  5.329   20.992  1.000 10.305 0 161 PHE A CD2 1 ? 
ATOM   1182 C  CE1 . PHE A 1 161 ? -7.570  5.236   18.606  1.000 10.325 0 161 PHE A CE1 1 ? 
ATOM   1183 C  CE2 . PHE A 1 161 ? -5.660  4.686   19.907  1.000 10.704 0 161 PHE A CE2 1 ? 
ATOM   1184 C  CZ  . PHE A 1 161 ? -6.335  4.648   18.718  1.000 9.971  0 161 PHE A CZ  1 ? 
ATOM   1185 N  N   . CYS A 1 162 ? -5.797  8.194   23.323  1.000 11.159 0 162 CYS A N   1 ? 
ATOM   1186 C  CA  . CYS A 1 162 ? -4.377  8.418   23.459  1.000 11.351 0 162 CYS A CA  1 ? 
ATOM   1187 C  C   . CYS A 1 162 ? -3.694  7.058   23.340  1.000 11.863 0 162 CYS A C   1 ? 
ATOM   1188 O  O   . CYS A 1 162 ? -4.172  6.022   23.777  1.000 11.572 0 162 CYS A O   1 ? 
ATOM   1189 C  CB  . CYS A 1 162 ? -3.990  9.040   24.800  1.000 11.698 0 162 CYS A CB  1 ? 
ATOM   1190 S  SG  . CYS A 1 162 ? -4.474  10.775  25.070  1.000 10.983 0 162 CYS A SG  1 ? 
ATOM   1191 N  N   . ALA A 1 163 ? -2.487  7.098   22.798  1.000 11.489 0 163 ALA A N   1 ? 
ATOM   1192 C  CA  . ALA A 1 163 ? -1.609  5.947   22.800  1.000 11.581 0 163 ALA A CA  1 ? 
ATOM   1193 C  C   . ALA A 1 163 ? -0.166  6.414   22.855  1.000 11.046 0 163 ALA A C   1 ? 
ATOM   1194 O  O   . ALA A 1 163 ? 0.164   7.524   22.447  1.000 11.518 0 163 ALA A O   1 ? 
ATOM   1195 C  CB  . ALA A 1 163 ? -1.899  5.094   21.601  1.000 11.476 0 163 ALA A CB  1 ? 
ATOM   1196 N  N   . GLY A 1 164 ? 0.652   5.573   23.475  1.000 10.871 0 164 GLY A N   1 ? 
ATOM   1197 C  CA  . GLY A 1 164 ? 2.065   5.821   23.632  1.000 11.565 0 164 GLY A CA  1 ? 
ATOM   1198 C  C   . GLY A 1 164 ? 2.490   5.634   25.090  1.000 12.814 0 164 GLY A C   1 ? 
ATOM   1199 O  O   . GLY A 1 164 ? 2.111   4.635   25.728  1.000 13.617 0 164 GLY A O   1 ? 
ATOM   1200 N  N   . TYR A 1 165 ? 3.369   6.553   25.515  1.000 13.467 0 165 TYR A N   1 ? 
ATOM   1201 C  CA  . TYR A 1 165 ? 4.105   6.421   26.769  1.000 14.388 0 165 TYR A CA  1 ? 
ATOM   1202 C  C   . TYR A 1 165 ? 4.170   7.759   27.504  1.000 17.092 0 165 TYR A C   1 ? 
ATOM   1203 O  O   . TYR A 1 165 ? 4.689   8.736   26.960  1.000 19.033 0 165 TYR A O   1 ? 
ATOM   1204 C  CB  . TYR A 1 165 ? 5.502   5.966   26.373  1.000 15.785 0 165 TYR A CB  1 ? 
ATOM   1205 C  CG  . TYR A 1 165 ? 5.539   4.591   25.735  1.000 16.680 0 165 TYR A CG  1 ? 
ATOM   1206 C  CD1 . TYR A 1 165 ? 5.543   3.448   26.505  1.000 15.813 0 165 TYR A CD1 1 ? 
ATOM   1207 C  CD2 . TYR A 1 165 ? 5.464   4.452   24.363  1.000 15.542 0 165 TYR A CD2 1 ? 
ATOM   1208 C  CE1 . TYR A 1 165 ? 5.539   2.188   25.935  1.000 18.046 0 165 TYR A CE1 1 ? 
ATOM   1209 C  CE2 . TYR A 1 165 ? 5.467   3.204   23.774  1.000 16.122 0 165 TYR A CE2 1 ? 
ATOM   1210 C  CZ  . TYR A 1 165 ? 5.507   2.065   24.563  1.000 17.249 0 165 TYR A CZ  1 ? 
ATOM   1211 O  OH  . TYR A 1 165 ? 5.501   0.809   24.024  1.000 16.772 0 165 TYR A OH  1 ? 
ATOM   1212 N  N   . LEU A 1 166 ? 3.704   7.784   28.760  1.000 16.754 0 166 LEU A N   1 ? 
ATOM   1213 C  CA  . LEU A 1 166 ? 3.655   9.036   29.512  1.000 18.613 0 166 LEU A CA  1 ? 
ATOM   1214 C  C   . LEU A 1 166 ? 5.054   9.538   29.887  1.000 18.811 0 166 LEU A C   1 ? 
ATOM   1215 O  O   . LEU A 1 166 ? 5.265   10.757  30.013  1.000 20.217 0 166 LEU A O   1 ? 
ATOM   1216 C  CB  . LEU A 1 166 ? 2.758   8.881   30.734  1.000 17.900 0 166 LEU A CB  1 ? 
ATOM   1217 C  CG  . LEU A 1 166 ? 1.274   8.633   30.453  1.000 17.309 0 166 LEU A CG  1 ? 
ATOM   1218 C  CD1 . LEU A 1 166 ? 0.512   8.500   31.756  1.000 18.880 0 166 LEU A CD1 1 ? 
ATOM   1219 C  CD2 . LEU A 1 166 ? 0.670   9.696   29.568  1.000 17.532 0 166 LEU A CD2 1 ? 
ATOM   1220 N  N   . GLU A 1 167 ? 6.019   8.624   29.951  1.000 19.809 0 167 GLU A N   1 ? 
ATOM   1221 C  CA  . GLU A 1 167 ? 7.395   8.990   30.255  1.000 21.399 0 167 GLU A CA  1 ? 
ATOM   1222 C  C   . GLU A 1 167 ? 8.073   9.781   29.137  1.000 22.791 0 167 GLU A C   1 ? 
ATOM   1223 O  O   . GLU A 1 167 ? 9.147   10.310  29.383  1.000 23.642 0 167 GLU A O   1 ? 
ATOM   1224 C  CB  . GLU A 1 167 ? 8.259   7.776   30.625  1.000 24.733 0 167 GLU A CB  1 ? 
ATOM   1225 C  CG  . GLU A 1 167 ? 8.398   6.736   29.511  1.000 30.207 0 167 GLU A CG  1 ? 
ATOM   1226 C  CD  . GLU A 1 167 ? 7.418   5.567   29.512  1.000 31.564 0 167 GLU A CD  1 ? 
ATOM   1227 O  OE1 . GLU A 1 167 ? 7.886   4.467   29.106  1.000 34.949 0 167 GLU A OE1 1 ? 
ATOM   1228 O  OE2 . GLU A 1 167 ? 6.205   5.735   29.879  1.000 32.106 0 167 GLU A OE2 1 ? 
ATOM   1229 N  N   . GLY A 1 168 ? 7.532   9.794   27.911  1.000 22.227 0 168 GLY A N   1 ? 
ATOM   1230 C  CA  . GLY A 1 168 ? 8.158   10.529  26.824  1.000 22.650 0 168 GLY A CA  1 ? 
ATOM   1231 C  C   . GLY A 1 168 ? 9.168   9.669   26.052  1.000 22.814 0 168 GLY A C   1 ? 
ATOM   1232 O  O   . GLY A 1 168 ? 9.524   8.574   26.499  1.000 24.890 0 168 GLY A O   1 ? 
ATOM   1233 N  N   . GLY A 1 169 ? 9.633   10.192  24.906  1.000 16.553 0 169 GLY A N   1 ? 
ATOM   1234 C  CA  . GLY A 1 169 ? 10.701  9.558   24.134  1.000 16.939 0 169 GLY A CA  1 ? 
ATOM   1235 C  C   . GLY A 1 169 ? 10.223  8.657   22.991  1.000 13.628 0 169 GLY A C   1 ? 
ATOM   1236 O  O   . GLY A 1 169 ? 11.021  8.340   22.107  1.000 14.681 0 169 GLY A O   1 ? 
ATOM   1237 N  N   . LYS A 1 170 ? 8.955   8.245   23.010  1.000 13.076 0 170 LYS A N   1 ? 
ATOM   1238 C  CA  . LYS A 1 170 ? 8.390   7.389   21.965  1.000 12.754 0 170 LYS A CA  1 ? 
ATOM   1239 C  C   . LYS A 1 170 ? 7.006   7.886   21.554  1.000 12.116 0 170 LYS A C   1 ? 
ATOM   1240 O  O   . LYS A 1 170 ? 6.056   7.843   22.338  1.000 13.351 0 170 LYS A O   1 ? 
ATOM   1241 C  CB  . LYS A 1 170 ? 8.276   5.951   22.479  1.000 13.915 0 170 LYS A CB  1 ? 
ATOM   1242 C  CG  . LYS A 1 170 ? 9.665   5.312   22.552  1.000 17.562 0 170 LYS A CG  1 ? 
ATOM   1243 C  CD  . LYS A 1 170 ? 9.711   3.838   22.960  1.000 22.596 0 170 LYS A CD  1 ? 
ATOM   1244 C  CE  . LYS A 1 170 ? 9.113   3.615   24.297  1.000 29.261 0 170 LYS A CE  1 ? 
ATOM   1245 N  NZ  . LYS A 1 170 ? 9.368   2.225   24.722  1.000 35.624 0 170 LYS A NZ  1 ? 
ATOM   1246 N  N   . ASP A 1 171 ? 6.858   8.275   20.287  1.000 10.781 0 171 ASP A N   1 ? 
ATOM   1247 C  CA  . ASP A 1 171 ? 5.605   8.884   19.863  1.000 10.439 0 171 ASP A CA  1 ? 
ATOM   1248 C  C   . ASP A 1 171 ? 5.597   8.981   18.335  1.000 10.189 0 171 ASP A C   1 ? 
ATOM   1249 O  O   . ASP A 1 171 ? 6.638   8.867   17.712  1.000 11.760 0 171 ASP A O   1 ? 
ATOM   1250 C  CB  . ASP A 1 171 ? 5.495   10.292  20.457  1.000 10.237 0 171 ASP A CB  1 ? 
ATOM   1251 C  CG  . ASP A 1 171 ? 4.145   10.996  20.463  1.000 10.138 0 171 ASP A CG  1 ? 
ATOM   1252 O  OD1 . ASP A 1 171 ? 3.139   10.383  20.073  1.000 10.160 0 171 ASP A OD1 1 ? 
ATOM   1253 O  OD2 . ASP A 1 171 ? 4.115   12.200  20.828  1.000 10.228 0 171 ASP A OD2 1 ? 
ATOM   1254 N  N   . SER A 1 172 ? 4.423   9.213   17.765  1.000 9.262  0 172 SER A N   1 ? 
ATOM   1255 C  CA  . SER A 1 172 ? 4.332   9.778   16.422  1.000 10.179 0 172 SER A CA  1 ? 
ATOM   1256 C  C   . SER A 1 172 ? 4.635   11.288  16.414  1.000 10.131 0 172 SER A C   1 ? 
ATOM   1257 O  O   . SER A 1 172 ? 4.824   11.898  17.456  1.000 9.474  0 172 SER A O   1 ? 
ATOM   1258 C  CB  . SER A 1 172 ? 3.020   9.432   15.743  1.000 11.292 0 172 SER A CB  1 ? 
ATOM   1259 O  OG  . SER A 1 172 ? 1.896   9.862   16.498  1.000 9.629  0 172 SER A OG  1 ? 
ATOM   1260 N  N   . CYS A 1 173 ? 4.706   11.889  15.216  1.000 9.797  0 173 CYS A N   1 ? 
ATOM   1261 C  CA  . CYS A 1 173 ? 5.128   13.285  15.103  1.000 11.200 0 173 CYS A CA  1 ? 
ATOM   1262 C  C   . CYS A 1 173 ? 4.646   13.854  13.762  1.000 11.652 0 173 CYS A C   1 ? 
ATOM   1263 O  O   . CYS A 1 173 ? 4.072   13.142  12.936  1.000 10.952 0 173 CYS A O   1 ? 
ATOM   1264 C  CB  . CYS A 1 173 ? 6.650   13.334  15.273  1.000 11.246 0 173 CYS A CB  1 ? 
ATOM   1265 S  SG  . CYS A 1 173 ? 7.340   14.956  15.718  1.000 12.198 0 173 CYS A SG  1 ? 
ATOM   1266 N  N   . GLN A 1 174 ? 4.923   15.145  13.551  1.000 12.225 0 174 GLN A N   1 ? 
ATOM   1267 C  CA  . GLN A 1 174 ? 4.750   15.835  12.283  1.000 14.234 0 174 GLN A CA  1 ? 
ATOM   1268 C  C   . GLN A 1 174 ? 5.158   14.906  11.141  1.000 11.585 0 174 GLN A C   1 ? 
ATOM   1269 O  O   . GLN A 1 174 ? 6.297   14.434  11.099  1.000 12.049 0 174 GLN A O   1 ? 
ATOM   1270 C  CB  . GLN A 1 174 ? 5.657   17.082  12.218  1.000 17.118 0 174 GLN A CB  1 ? 
ATOM   1271 C  CG  . GLN A 1 174 ? 5.109   18.334  12.911  1.000 21.756 0 174 GLN A CG  1 ? 
ATOM   1272 C  CD  . GLN A 1 174 ? 4.855   18.181  14.407  1.000 25.829 0 174 GLN A CD  1 ? 
ATOM   1273 O  OE1 . GLN A 1 174 ? 5.754   17.871  15.188  1.000 27.997 0 174 GLN A OE1 1 ? 
ATOM   1274 N  NE2 . GLN A 1 174 ? 3.632   18.436  14.841  1.000 29.534 0 174 GLN A NE2 1 ? 
ATOM   1275 N  N   . GLY A 1 175 ? 4.280   14.791  10.158  1.000 10.134 0 175 GLY A N   1 ? 
ATOM   1276 C  CA  . GLY A 1 175 ? 4.550   14.041  8.955   1.000 9.919  0 175 GLY A CA  1 ? 
ATOM   1277 C  C   . GLY A 1 175 ? 4.063   12.595  9.071   1.000 8.850  0 175 GLY A C   1 ? 
ATOM   1278 O  O   . GLY A 1 175 ? 3.882   11.939  8.072   1.000 9.248  0 175 GLY A O   1 ? 
ATOM   1279 N  N   . ASP A 1 176 ? 3.746   12.137  10.291  1.000 8.867  0 176 ASP A N   1 ? 
ATOM   1280 C  CA  . ASP A 1 176 ? 3.079   10.869  10.461  1.000 8.652  0 176 ASP A CA  1 ? 
ATOM   1281 C  C   . ASP A 1 176 ? 1.559   11.029  10.384  1.000 8.576  0 176 ASP A C   1 ? 
ATOM   1282 O  O   . ASP A 1 176 ? 0.834   10.031  10.275  1.000 9.166  0 176 ASP A O   1 ? 
ATOM   1283 C  CB  . ASP A 1 176 ? 3.382   10.248  11.811  1.000 8.637  0 176 ASP A CB  1 ? 
ATOM   1284 C  CG  . ASP A 1 176 ? 4.833   9.867   11.976  1.000 8.683  0 176 ASP A CG  1 ? 
ATOM   1285 O  OD1 . ASP A 1 176 ? 5.417   9.324   11.003  1.000 9.893  0 176 ASP A OD1 1 ? 
ATOM   1286 O  OD2 . ASP A 1 176 ? 5.360   10.068  13.094  1.000 9.877  0 176 ASP A OD2 1 ? 
ATOM   1287 N  N   . SER A 1 177 ? 1.087   12.277  10.459  1.000 8.241  0 177 SER A N   1 ? 
ATOM   1288 C  CA  . SER A 1 177 ? -0.354  12.550  10.479  1.000 8.773  0 177 SER A CA  1 ? 
ATOM   1289 C  C   . SER A 1 177 ? -1.083  11.795  9.380   1.000 8.721  0 177 SER A C   1 ? 
ATOM   1290 O  O   . SER A 1 177 ? -0.615  11.758  8.264   1.000 8.938  0 177 SER A O   1 ? 
ATOM   1291 C  CB  . SER A 1 177 ? -0.611  14.016  10.327  1.000 9.806  0 177 SER A CB  1 ? 
ATOM   1292 O  OG  . SER A 1 177 ? -0.057  14.698  11.433  1.000 12.561 0 177 SER A OG  1 ? 
ATOM   1293 N  N   . GLY A 1 178 ? -2.275  11.279  9.696   1.000 8.981  0 178 GLY A N   1 ? 
ATOM   1294 C  CA  . GLY A 1 178 ? -3.112  10.568  8.739   1.000 8.718  0 178 GLY A CA  1 ? 
ATOM   1295 C  C   . GLY A 1 178 ? -2.825  9.065   8.681   1.000 9.581  0 178 GLY A C   1 ? 
ATOM   1296 O  O   . GLY A 1 178 ? -3.584  8.292   8.098   1.000 9.753  0 178 GLY A O   1 ? 
ATOM   1297 N  N   . GLY A 1 179 ? -1.681  8.651   9.224   1.000 8.563  0 179 GLY A N   1 ? 
ATOM   1298 C  CA  . GLY A 1 179 ? -1.247  7.276   9.142   1.000 9.055  0 179 GLY A CA  1 ? 
ATOM   1299 C  C   . GLY A 1 179 ? -1.887  6.378   10.190  1.000 9.417  0 179 GLY A C   1 ? 
ATOM   1300 O  O   . GLY A 1 179 ? -2.727  6.768   11.014  1.000 9.796  0 179 GLY A O   1 ? 
ATOM   1301 N  N   . PRO A 1 180 ? -1.566  5.095   10.072  1.000 8.776  0 180 PRO A N   1 ? 
ATOM   1302 C  CA  . PRO A 1 180 ? -2.275  4.070   10.848  1.000 9.758  0 180 PRO A CA  1 ? 
ATOM   1303 C  C   . PRO A 1 180 ? -1.800  3.801   12.256  1.000 9.861  0 180 PRO A C   1 ? 
ATOM   1304 O  O   . PRO A 1 180 ? -0.618  3.868   12.566  1.000 9.458  0 180 PRO A O   1 ? 
ATOM   1305 C  CB  . PRO A 1 180 ? -2.034  2.845   10.011  1.000 9.788  0 180 PRO A CB  1 ? 
ATOM   1306 C  CG  . PRO A 1 180 ? -0.656  3.064   9.436   1.000 9.463  0 180 PRO A CG  1 ? 
ATOM   1307 C  CD  . PRO A 1 180 ? -0.684  4.522   9.038   1.000 9.580  0 180 PRO A CD  1 ? 
ATOM   1308 N  N   . VAL A 1 181 ? -2.771  3.330   13.041  1.000 9.962  0 181 VAL A N   1 ? 
ATOM   1309 C  CA  . VAL A 1 181 ? -2.580  2.715   14.328  1.000 10.040 0 181 VAL A CA  1 ? 
ATOM   1310 C  C   . VAL A 1 181 ? -3.326  1.396   14.225  1.000 10.469 0 181 VAL A C   1 ? 
ATOM   1311 O  O   . VAL A 1 181 ? -4.560  1.401   14.209  1.000 10.881 0 181 VAL A O   1 ? 
ATOM   1312 C  CB  . VAL A 1 181 ? -3.128  3.549   15.495  1.000 10.389 0 181 VAL A CB  1 ? 
ATOM   1313 C  CG1 . VAL A 1 181 ? -2.879  2.868   16.816  1.000 10.986 0 181 VAL A CG1 1 ? 
ATOM   1314 C  CG2 . VAL A 1 181 ? -2.585  4.993   15.406  1.000 11.300 0 181 VAL A CG2 1 ? 
ATOM   1315 N  N   . VAL A 1 182 ? -2.584  0.296   14.175  1.000 10.277 0 182 VAL A N   1 ? 
ATOM   1316 C  CA  . VAL A 1 182 ? -3.191  -1.008  13.938  1.000 10.925 0 182 VAL A CA  1 ? 
ATOM   1317 C  C   . VAL A 1 182 ? -2.983  -1.871  15.172  1.000 9.890  0 182 VAL A C   1 ? 
ATOM   1318 O  O   . VAL A 1 182 ? -1.864  -2.013  15.648  1.000 10.602 0 182 VAL A O   1 ? 
ATOM   1319 C  CB  . VAL A 1 182 ? -2.579  -1.697  12.713  1.000 10.654 0 182 VAL A CB  1 ? 
ATOM   1320 C  CG1 . VAL A 1 182 ? -2.897  -3.205  12.684  1.000 11.955 0 182 VAL A CG1 1 ? 
ATOM   1321 C  CG2 . VAL A 1 182 ? -2.997  -1.005  11.418  1.000 11.521 0 182 VAL A CG2 1 ? 
ATOM   1322 N  N   . CYS A 1 183 ? -4.083  -2.460  15.674  1.000 10.181 0 183 CYS A N   1 ? 
ATOM   1323 C  CA  . CYS A 1 183 ? -4.095  -3.240  16.903  1.000 12.601 0 183 CYS A CA  1 ? 
ATOM   1324 C  C   . CYS A 1 183 ? -4.766  -4.577  16.606  1.000 12.965 0 183 CYS A C   1 ? 
ATOM   1325 O  O   . CYS A 1 183 ? -5.868  -4.582  16.071  1.000 12.951 0 183 CYS A O   1 ? 
ATOM   1326 C  CB  . CYS A 1 183 ? -4.886  -2.546  17.993  1.000 13.551 0 183 CYS A CB  1 ? 
ATOM   1327 S  SG  . CYS A 1 183 ? -4.557  -0.771  18.111  1.000 15.195 0 183 CYS A SG  1 ? 
ATOM   1328 N  N   . SER A 1 184 ? -4.033  -5.656  16.852  1.000 15.180 0 184 SER A N   1 ? 
ATOM   1329 C  CA  . SER A 1 184 ? -4.484  -7.010  16.526  1.000 15.941 0 184 SER A CA  1 ? 
ATOM   1330 C  C   . SER A 1 184 ? -5.048  -7.095  15.107  1.000 17.072 0 184 SER A C   1 ? 
ATOM   1331 O  O   . SER A 1 184 ? -6.112  -7.670  14.865  1.000 18.454 0 184 SER A O   1 ? 
ATOM   1332 C  CB  . SER A 1 184 ? -5.482  -7.426  17.536  1.000 17.688 0 184 SER A CB  1 ? 
ATOM   1333 O  OG  . SER A 1 184 ? -4.894  -7.340  18.833  1.000 18.751 0 184 SER A OG  1 ? 
ATOM   1334 N  N   . GLY A 1 185 ? -4.348  -6.490  14.151  1.000 15.801 0 185 GLY A N   1 ? 
ATOM   1335 C  CA  . GLY A 1 185 ? -4.709  -6.617  12.752  1.000 15.464 0 185 GLY A CA  1 ? 
ATOM   1336 C  C   . GLY A 1 185 ? -5.907  -5.766  12.331  1.000 14.578 0 185 GLY A C   1 ? 
ATOM   1337 O  O   . GLY A 1 185 ? -6.431  -6.019  11.242  1.000 14.890 0 185 GLY A O   1 ? 
ATOM   1338 N  N   . LYS A 1 186 ? -6.307  -4.766  13.148  1.000 12.428 0 186 LYS A N   1 ? 
ATOM   1339 C  CA  . LYS A 1 186 ? -7.447  -3.916  12.826  1.000 12.372 0 186 LYS A CA  1 ? 
ATOM   1340 C  C   . LYS A 1 186 ? -7.007  -2.455  12.877  1.000 11.504 0 186 LYS A C   1 ? 
ATOM   1341 O  O   . LYS A 1 186 ? -6.253  -2.073  13.773  1.000 10.981 0 186 LYS A O   1 ? 
ATOM   1342 C  CB  . LYS A 1 186 ? -8.624  -4.021  13.808  1.000 15.755 0 186 LYS A CB  1 ? 
ATOM   1343 C  CG  . LYS A 1 186 ? -9.135  -5.423  14.151  1.000 18.991 0 186 LYS A CG  1 ? 
ATOM   1344 C  CD  . LYS A 1 186 ? -9.621  -6.142  12.903  1.000 19.957 0 186 LYS A CD  1 ? 
ATOM   1345 C  CE  . LYS A 1 186 ? -10.134 -7.520  13.282  1.000 26.970 0 186 LYS A CE  1 ? 
ATOM   1346 N  NZ  . LYS A 1 186 ? -10.801 -8.171  12.143  1.000 31.108 0 186 LYS A NZ  1 ? 
ATOM   1347 N  N   . LEU A 1 187 ? -7.498  -1.627  11.949  1.000 12.083 0 187 LEU A N   1 ? 
ATOM   1348 C  CA  . LEU A 1 187 ? -7.185  -0.213  11.944  1.000 12.027 0 187 LEU A CA  1 ? 
ATOM   1349 C  C   . LEU A 1 187 ? -8.003  0.480   13.028  1.000 11.935 0 187 LEU A C   1 ? 
ATOM   1350 O  O   . LEU A 1 187 ? -9.199  0.671   12.879  1.000 15.758 0 187 LEU A O   1 ? 
ATOM   1351 C  CB  . LEU A 1 187 ? -7.451  0.426   10.577  1.000 11.224 0 187 LEU A CB  1 ? 
ATOM   1352 C  CG  . LEU A 1 187 ? -7.090  1.913   10.485  1.000 12.097 0 187 LEU A CG  1 ? 
ATOM   1353 C  CD1 . LEU A 1 187 ? -5.605  2.083   10.646  1.000 13.135 0 187 LEU A CD1 1 ? 
ATOM   1354 C  CD2 . LEU A 1 187 ? -7.569  2.572   9.192   1.000 12.966 0 187 LEU A CD2 1 ? 
ATOM   1355 N  N   . GLN A 1 188 ? -7.375  0.814   14.130  1.000 10.502 0 188 GLN A N   1 ? 
ATOM   1356 C  CA  . GLN A 1 188 ? -8.105  1.377   15.258  1.000 10.186 0 188 GLN A CA  1 ? 
ATOM   1357 C  C   . GLN A 1 188 ? -7.901  2.887   15.389  1.000 10.154 0 188 GLN A C   1 ? 
ATOM   1358 O  O   . GLN A 1 188 ? -8.699  3.582   16.001  1.000 10.665 0 188 GLN A O   1 ? 
ATOM   1359 C  CB  . GLN A 1 188 ? -7.741  0.754   16.593  1.000 11.066 0 188 GLN A CB  1 ? 
ATOM   1360 C  CG  . GLN A 1 188 ? -8.220  -0.689  16.816  1.000 10.679 0 188 GLN A CG  1 ? 
ATOM   1361 C  CD  . GLN A 1 188 ? -9.718  -0.919  16.974  1.000 11.810 0 188 GLN A CD  1 ? 
ATOM   1362 O  OE1 . GLN A 1 188 ? -10.557 -0.030  16.903  1.000 13.128 0 188 GLN A OE1 1 ? 
ATOM   1363 N  NE2 . GLN A 1 188 ? -10.113 -2.173  17.110  1.000 12.248 0 188 GLN A NE2 1 ? 
ATOM   1364 N  N   . GLY A 1 189 ? -6.804  3.432   14.830  1.000 9.269  0 189 GLY A N   1 ? 
ATOM   1365 C  CA  . GLY A 1 189 ? -6.584  4.854   14.985  1.000 9.115  0 189 GLY A CA  1 ? 
ATOM   1366 C  C   . GLY A 1 189 ? -5.927  5.473   13.763  1.000 9.159  0 189 GLY A C   1 ? 
ATOM   1367 O  O   . GLY A 1 189 ? -5.426  4.770   12.876  1.000 9.253  0 189 GLY A O   1 ? 
ATOM   1368 N  N   . ILE A 1 190 ? -6.046  6.802   13.706  1.000 8.707  0 190 ILE A N   1 ? 
ATOM   1369 C  CA  . ILE A 1 190 ? -5.390  7.639   12.725  1.000 8.420  0 190 ILE A CA  1 ? 
ATOM   1370 C  C   . ILE A 1 190 ? -4.533  8.659   13.481  1.000 8.571  0 190 ILE A C   1 ? 
ATOM   1371 O  O   . ILE A 1 190 ? -5.006  9.296   14.397  1.000 9.141  0 190 ILE A O   1 ? 
ATOM   1372 C  CB  . ILE A 1 190 ? -6.446  8.335   11.846  1.000 9.499  0 190 ILE A CB  1 ? 
ATOM   1373 C  CG1 . ILE A 1 190 ? -7.369  7.339   11.149  1.000 11.896 0 190 ILE A CG1 1 ? 
ATOM   1374 C  CG2 . ILE A 1 190 ? -5.744  9.299   10.864  1.000 9.669  0 190 ILE A CG2 1 ? 
ATOM   1375 C  CD1 . ILE A 1 190 ? -8.622  7.933   10.576  1.000 11.947 0 190 ILE A CD1 1 ? 
ATOM   1376 N  N   . VAL A 1 191 ? -3.265  8.820   13.105  1.000 7.805  0 191 VAL A N   1 ? 
ATOM   1377 C  CA  . VAL A 1 191 ? -2.391  9.797   13.724  1.000 7.925  0 191 VAL A CA  1 ? 
ATOM   1378 C  C   . VAL A 1 191 ? -3.034  11.184  13.552  1.000 7.915  0 191 VAL A C   1 ? 
ATOM   1379 O  O   . VAL A 1 191 ? -3.238  11.633  12.414  1.000 7.582  0 191 VAL A O   1 ? 
ATOM   1380 C  CB  . VAL A 1 191 ? -0.993  9.758   13.083  1.000 8.260  0 191 VAL A CB  1 ? 
ATOM   1381 C  CG1 . VAL A 1 191 ? -0.073  10.820  13.662  1.000 8.427  0 191 VAL A CG1 1 ? 
ATOM   1382 C  CG2 . VAL A 1 191 ? -0.315  8.391   13.144  1.000 8.247  0 191 VAL A CG2 1 ? 
ATOM   1383 N  N   . SER A 1 192 ? -3.307  11.885  14.668  1.000 8.735  0 192 SER A N   1 ? 
ATOM   1384 C  CA  . SER A 1 192 ? -4.072  13.122  14.619  1.000 9.125  0 192 SER A CA  1 ? 
ATOM   1385 C  C   . SER A 1 192 ? -3.322  14.312  15.226  1.000 9.203  0 192 SER A C   1 ? 
ATOM   1386 O  O   . SER A 1 192 ? -3.002  15.248  14.497  1.000 11.864 0 192 SER A O   1 ? 
ATOM   1387 C  CB  . SER A 1 192 ? -5.501  12.905  15.140  1.000 8.820  0 192 SER A CB  1 ? 
ATOM   1388 O  OG  . SER A 1 192 ? -6.231  14.126  15.117  1.000 9.921  0 192 SER A OG  1 ? 
ATOM   1389 N  N   . TRP A 1 193 ? -2.975  14.278  16.516  1.000 9.326  0 193 TRP A N   1 ? 
ATOM   1390 C  CA  . TRP A 1 193 ? -2.379  15.447  17.119  1.000 10.082 0 193 TRP A CA  1 ? 
ATOM   1391 C  C   . TRP A 1 193 ? -1.660  15.091  18.415  1.000 10.501 0 193 TRP A C   1 ? 
ATOM   1392 O  O   . TRP A 1 193 ? -1.596  13.941  18.809  1.000 9.661  0 193 TRP A O   1 ? 
ATOM   1393 C  CB  . TRP A 1 193 ? -3.439  16.550  17.329  1.000 8.939  0 193 TRP A CB  1 ? 
ATOM   1394 C  CG  . TRP A 1 193 ? -4.565  16.271  18.278  1.000 9.843  0 193 TRP A CG  1 ? 
ATOM   1395 C  CD1 . TRP A 1 193 ? -5.730  15.640  17.973  1.000 9.075  0 193 TRP A CD1 1 ? 
ATOM   1396 C  CD2 . TRP A 1 193 ? -4.666  16.708  19.646  1.000 10.504 0 193 TRP A CD2 1 ? 
ATOM   1397 N  NE1 . TRP A 1 193 ? -6.547  15.631  19.059  1.000 9.612  0 193 TRP A NE1 1 ? 
ATOM   1398 C  CE2 . TRP A 1 193 ? -5.930  16.281  20.099  1.000 10.556 0 193 TRP A CE2 1 ? 
ATOM   1399 C  CE3 . TRP A 1 193 ? -3.821  17.443  20.506  1.000 11.311 0 193 TRP A CE3 1 ? 
ATOM   1400 C  CZ2 . TRP A 1 193 ? -6.366  16.540  21.401  1.000 10.332 0 193 TRP A CZ2 1 ? 
ATOM   1401 C  CZ3 . TRP A 1 193 ? -4.252  17.691  21.792  1.000 12.092 0 193 TRP A CZ3 1 ? 
ATOM   1402 C  CH2 . TRP A 1 193 ? -5.514  17.273  22.208  1.000 11.251 0 193 TRP A CH2 1 ? 
ATOM   1403 N  N   . GLY A 1 194 ? -1.073  16.143  19.027  1.000 12.116 0 194 GLY A N   1 ? 
ATOM   1404 C  CA  . GLY A 1 194 ? -0.340  16.014  20.270  1.000 12.491 0 194 GLY A CA  1 ? 
ATOM   1405 C  C   . GLY A 1 194 ? 0.485   17.278  20.468  1.000 13.910 0 194 GLY A C   1 ? 
ATOM   1406 O  O   . GLY A 1 194 ? 0.827   17.940  19.480  1.000 17.152 0 194 GLY A O   1 ? 
ATOM   1407 N  N   . SER A 1 195 ? 0.804   17.566  21.721  1.000 14.426 0 195 SER A N   1 ? 
ATOM   1408 C  CA  . SER A 1 195 ? 1.628   18.708  22.066  1.000 14.523 0 195 SER A CA  1 ? 
ATOM   1409 C  C   . SER A 1 195 ? 3.105   18.383  21.869  1.000 13.123 0 195 SER A C   1 ? 
ATOM   1410 O  O   . SER A 1 195 ? 3.703   17.601  22.608  1.000 15.277 0 195 SER A O   1 ? 
ATOM   1411 C  CB  . SER A 1 195 ? 1.373   19.137  23.473  1.000 16.041 0 195 SER A CB  1 ? 
ATOM   1412 O  OG  . SER A 1 195 ? 2.174   20.295  23.665  1.000 23.498 0 195 SER A OG  1 ? 
ATOM   1413 N  N   . GLY A 1 196 ? 3.685   18.914  20.808  1.000 12.078 0 196 GLY A N   1 ? 
ATOM   1414 C  CA  . GLY A 1 196 ? 5.041   18.548  20.455  1.000 12.038 0 196 GLY A CA  1 ? 
ATOM   1415 C  C   . GLY A 1 196 ? 5.039   17.072  20.053  1.000 12.480 0 196 GLY A C   1 ? 
ATOM   1416 O  O   . GLY A 1 196 ? 4.015   16.565  19.593  1.000 13.618 0 196 GLY A O   1 ? 
ATOM   1417 N  N   . CYS A 1 197 ? 6.174   16.406  20.242  1.000 12.822 0 197 CYS A N   1 ? 
ATOM   1418 C  CA  . CYS A 1 197 ? 6.286   14.981  20.039  1.000 12.550 0 197 CYS A CA  1 ? 
ATOM   1419 C  C   . CYS A 1 197 ? 7.149   14.371  21.138  1.000 12.913 0 197 CYS A C   1 ? 
ATOM   1420 O  O   . CYS A 1 197 ? 8.226   14.883  21.466  1.000 13.877 0 197 CYS A O   1 ? 
ATOM   1421 C  CB  . CYS A 1 197 ? 6.945   14.682  18.694  1.000 12.195 0 197 CYS A CB  1 ? 
ATOM   1422 S  SG  . CYS A 1 197 ? 6.209   15.543  17.280  1.000 13.692 0 197 CYS A SG  1 ? 
ATOM   1423 N  N   . ALA A 1 198 ? 6.704   13.242  21.654  1.000 13.261 0 198 ALA A N   1 ? 
ATOM   1424 C  CA  . ALA A 1 198 ? 7.482   12.423  22.571  1.000 11.212 0 198 ALA A CA  1 ? 
ATOM   1425 C  C   . ALA A 1 198 ? 7.811   13.174  23.865  1.000 13.722 0 198 ALA A C   1 ? 
ATOM   1426 O  O   . ALA A 1 198 ? 8.782   12.822  24.557  1.000 14.818 0 198 ALA A O   1 ? 
ATOM   1427 C  CB  . ALA A 1 198 ? 8.724   11.921  21.897  1.000 11.934 0 198 ALA A CB  1 ? 
ATOM   1428 N  N   . GLN A 1 199 ? 6.982   14.159  24.220  1.000 15.252 0 199 GLN A N   1 ? 
ATOM   1429 C  CA  . GLN A 1 199 ? 7.229   14.894  25.449  1.000 16.482 0 199 GLN A CA  1 ? 
ATOM   1430 C  C   . GLN A 1 199 ? 6.581   14.149  26.598  1.000 16.676 0 199 GLN A C   1 ? 
ATOM   1431 O  O   . GLN A 1 199 ? 5.538   13.532  26.435  1.000 14.999 0 199 GLN A O   1 ? 
ATOM   1432 C  CB  . GLN A 1 199 ? 6.592   16.275  25.428  1.000 16.692 0 199 GLN A CB  1 ? 
ATOM   1433 C  CG  . GLN A 1 199 ? 7.143   17.189  24.338  1.000 19.045 0 199 GLN A CG  1 ? 
ATOM   1434 C  CD  . GLN A 1 199 ? 8.633   17.369  24.430  1.000 23.696 0 199 GLN A CD  1 ? 
ATOM   1435 O  OE1 . GLN A 1 199 ? 9.145   17.976  25.380  1.000 30.452 0 199 GLN A OE1 1 ? 
ATOM   1436 N  NE2 . GLN A 1 199 ? 9.359   16.820  23.465  1.000 25.932 0 199 GLN A NE2 1 ? 
ATOM   1437 N  N   . LYS A 1 200 ? 7.146   14.313  27.794  1.000 16.974 0 200 LYS A N   1 ? 
ATOM   1438 C  CA  . LYS A 1 200 ? 6.573   13.726  28.990  1.000 16.587 0 200 LYS A CA  1 ? 
ATOM   1439 C  C   . LYS A 1 200 ? 5.157   14.260  29.234  1.000 16.072 0 200 LYS A C   1 ? 
ATOM   1440 O  O   . LYS A 1 200 ? 4.889   15.459  29.117  1.000 17.566 0 200 LYS A O   1 ? 
ATOM   1441 C  CB  . LYS A 1 200 ? 7.523   14.042  30.151  1.000 19.934 0 200 LYS A CB  1 ? 
ATOM   1442 C  CG  . LYS A 1 200 ? 7.172   13.390  31.462  1.000 25.109 0 200 LYS A CG  1 ? 
ATOM   1443 C  CD  . LYS A 1 200 ? 8.217   13.696  32.541  1.000 31.477 0 200 LYS A CD  1 ? 
ATOM   1444 C  CE  . LYS A 1 200 ? 7.687   13.790  33.954  1.000 39.992 0 200 LYS A CE  1 ? 
ATOM   1445 N  NZ  . LYS A 1 200 ? 6.929   12.608  34.368  1.000 44.345 0 200 LYS A NZ  1 ? 
ATOM   1446 N  N   . ASN A 1 201 ? 4.250   13.326  29.548  1.000 15.494 0 201 ASN A N   1 ? 
ATOM   1447 C  CA  . ASN A 1 201 ? 2.858   13.583  29.900  1.000 18.128 0 201 ASN A CA  1 ? 
ATOM   1448 C  C   . ASN A 1 201 ? 2.069   14.195  28.744  1.000 19.104 0 201 ASN A C   1 ? 
ATOM   1449 O  O   . ASN A 1 201 ? 1.058   14.855  28.985  1.000 19.675 0 201 ASN A O   1 ? 
ATOM   1450 C  CB  . ASN A 1 201 ? 2.777   14.390  31.189  1.000 20.491 0 201 ASN A CB  1 ? 
ATOM   1451 C  CG  . ASN A 1 201 ? 3.304   13.619  32.384  1.000 26.208 0 201 ASN A CG  1 ? 
ATOM   1452 O  OD1 . ASN A 1 201 ? 3.987   14.186  33.248  1.000 29.114 0 201 ASN A OD1 1 ? 
ATOM   1453 N  ND2 . ASN A 1 201 ? 2.995   12.336  32.461  1.000 28.434 0 201 ASN A ND2 1 ? 
ATOM   1454 N  N   . LYS A 1 202 ? 2.530   13.996  27.502  1.000 16.042 0 202 LYS A N   1 ? 
ATOM   1455 C  CA  . LYS A 1 202 ? 1.866   14.513  26.316  1.000 16.734 0 202 LYS A CA  1 ? 
ATOM   1456 C  C   . LYS A 1 202 ? 1.871   13.423  25.251  1.000 14.425 0 202 LYS A C   1 ? 
ATOM   1457 O  O   . LYS A 1 202 ? 2.606   13.509  24.265  1.000 13.309 0 202 LYS A O   1 ? 
ATOM   1458 C  CB  . LYS A 1 202 ? 2.531   15.800  25.826  1.000 18.249 0 202 LYS A CB  1 ? 
ATOM   1459 C  CG  . LYS A 1 202 ? 2.369   16.949  26.832  1.000 19.295 0 202 LYS A CG  1 ? 
ATOM   1460 C  CD  . LYS A 1 202 ? 0.928   17.441  26.924  1.000 21.843 0 202 LYS A CD  1 ? 
ATOM   1461 C  CE  . LYS A 1 202 ? 0.674   18.556  27.888  1.000 24.815 0 202 LYS A CE  1 ? 
ATOM   1462 N  NZ  . LYS A 1 202 ? -0.746  18.939  27.876  1.000 23.860 0 202 LYS A NZ  1 ? 
ATOM   1463 N  N   . PRO A 1 203 ? 1.060   12.368  25.447  1.000 13.718 0 203 PRO A N   1 ? 
ATOM   1464 C  CA  . PRO A 1 203 ? 1.056   11.242  24.521  1.000 12.416 0 203 PRO A CA  1 ? 
ATOM   1465 C  C   . PRO A 1 203 ? 0.393   11.650  23.211  1.000 11.593 0 203 PRO A C   1 ? 
ATOM   1466 O  O   . PRO A 1 203 ? -0.240  12.701  23.116  1.000 12.233 0 203 PRO A O   1 ? 
ATOM   1467 C  CB  . PRO A 1 203 ? 0.290   10.167  25.291  1.000 13.578 0 203 PRO A CB  1 ? 
ATOM   1468 C  CG  . PRO A 1 203 ? -0.699  10.996  26.094  1.000 13.859 0 203 PRO A CG  1 ? 
ATOM   1469 C  CD  . PRO A 1 203 ? 0.170   12.136  26.581  1.000 12.975 0 203 PRO A CD  1 ? 
ATOM   1470 N  N   . GLY A 1 204 ? 0.562   10.802  22.199  1.000 11.474 0 204 GLY A N   1 ? 
ATOM   1471 C  CA  . GLY A 1 204 ? -0.155  10.947  20.946  1.000 11.266 0 204 GLY A CA  1 ? 
ATOM   1472 C  C   . GLY A 1 204 ? -1.671  10.835  21.133  1.000 10.524 0 204 GLY A C   1 ? 
ATOM   1473 O  O   . GLY A 1 204 ? -2.189  9.977   21.867  1.000 10.802 0 204 GLY A O   1 ? 
ATOM   1474 N  N   . VAL A 1 205 ? -2.372  11.648  20.336  1.000 8.552  0 205 VAL A N   1 ? 
ATOM   1475 C  CA  . VAL A 1 205 ? -3.815  11.605  20.277  1.000 9.007  0 205 VAL A CA  1 ? 
ATOM   1476 C  C   . VAL A 1 205 ? -4.209  11.155  18.869  1.000 9.464  0 205 VAL A C   1 ? 
ATOM   1477 O  O   . VAL A 1 205 ? -3.732  11.663  17.846  1.000 10.477 0 205 VAL A O   1 ? 
ATOM   1478 C  CB  . VAL A 1 205 ? -4.502  12.925  20.673  1.000 9.030  0 205 VAL A CB  1 ? 
ATOM   1479 C  CG1 . VAL A 1 205 ? -6.019  12.721  20.718  1.000 9.861  0 205 VAL A CG1 1 ? 
ATOM   1480 C  CG2 . VAL A 1 205 ? -3.982  13.431  22.012  1.000 8.894  0 205 VAL A CG2 1 ? 
ATOM   1481 N  N   . TYR A 1 206 ? -5.126  10.175  18.839  1.000 8.509  0 206 TYR A N   1 ? 
ATOM   1482 C  CA  . TYR A 1 206 ? -5.514  9.452   17.631  1.000 8.116  0 206 TYR A CA  1 ? 
ATOM   1483 C  C   . TYR A 1 206 ? -7.027  9.517   17.412  1.000 8.332  0 206 TYR A C   1 ? 
ATOM   1484 O  O   . TYR A 1 206 ? -7.822  9.365   18.350  1.000 9.692  0 206 TYR A O   1 ? 
ATOM   1485 C  CB  . TYR A 1 206 ? -4.995  7.998   17.762  1.000 7.879  0 206 TYR A CB  1 ? 
ATOM   1486 C  CG  . TYR A 1 206 ? -3.480  7.958   17.902  1.000 8.188  0 206 TYR A CG  1 ? 
ATOM   1487 C  CD1 . TYR A 1 206 ? -2.667  7.953   16.767  1.000 8.793  0 206 TYR A CD1 1 ? 
ATOM   1488 C  CD2 . TYR A 1 206 ? -2.877  7.986   19.164  1.000 8.136  0 206 TYR A CD2 1 ? 
ATOM   1489 C  CE1 . TYR A 1 206 ? -1.299  8.024   16.864  1.000 9.588  0 206 TYR A CE1 1 ? 
ATOM   1490 C  CE2 . TYR A 1 206 ? -1.500  8.008   19.288  1.000 8.118  0 206 TYR A CE2 1 ? 
ATOM   1491 C  CZ  . TYR A 1 206 ? -0.728  8.009   18.130  1.000 9.075  0 206 TYR A CZ  1 ? 
ATOM   1492 O  OH  . TYR A 1 206 ? 0.648   8.044   18.188  1.000 10.306 0 206 TYR A OH  1 ? 
ATOM   1493 N  N   . THR A 1 207 ? -7.444  9.603   16.137  1.000 7.982  0 207 THR A N   1 ? 
ATOM   1494 C  CA  . THR A 1 207 ? -8.843  9.487   15.771  1.000 8.043  0 207 THR A CA  1 ? 
ATOM   1495 C  C   . THR A 1 207 ? -9.320  8.073   16.072  1.000 8.687  0 207 THR A C   1 ? 
ATOM   1496 O  O   . THR A 1 207 ? -8.667  7.147   15.675  1.000 9.299  0 207 THR A O   1 ? 
ATOM   1497 C  CB  . THR A 1 207 ? -9.088  9.813   14.296  1.000 8.375  0 207 THR A CB  1 ? 
ATOM   1498 O  OG1 . THR A 1 207 ? -8.467  11.073  14.071  1.000 9.036  0 207 THR A OG1 1 ? 
ATOM   1499 C  CG2 . THR A 1 207 ? -10.582 9.857   14.089  1.000 8.627  0 207 THR A CG2 1 ? 
ATOM   1500 N  N   . LYS A 1 208 ? -10.486 7.940   16.717  1.000 8.393  0 208 LYS A N   1 ? 
ATOM   1501 C  CA  . LYS A 1 208 ? -11.014 6.643   17.126  1.000 10.060 0 208 LYS A CA  1 ? 
ATOM   1502 C  C   . LYS A 1 208 ? -11.835 6.008   15.997  1.000 9.478  0 208 LYS A C   1 ? 
ATOM   1503 O  O   . LYS A 1 208 ? -13.028 6.213   15.900  1.000 8.745  0 208 LYS A O   1 ? 
ATOM   1504 C  CB  . LYS A 1 208 ? -11.798 6.801   18.432  1.000 11.850 0 208 LYS A CB  1 ? 
ATOM   1505 C  CG  . LYS A 1 208 ? -12.209 5.488   19.062  1.000 14.044 0 208 LYS A CG  1 ? 
ATOM   1506 C  CD  . LYS A 1 208 ? -12.802 5.721   20.446  1.000 14.752 0 208 LYS A CD  1 ? 
ATOM   1507 C  CE  . LYS A 1 208 ? -13.276 4.474   21.075  1.000 17.128 0 208 LYS A CE  1 ? 
ATOM   1508 N  NZ  . LYS A 1 208 ? -13.591 4.742   22.477  1.000 20.042 0 208 LYS A NZ  1 ? 
ATOM   1509 N  N   . VAL A 1 209 ? -11.203 5.214   15.137  1.000 9.127  0 209 VAL A N   1 ? 
ATOM   1510 C  CA  . VAL A 1 209 ? -11.762 4.750   13.880  1.000 9.894  0 209 VAL A CA  1 ? 
ATOM   1511 C  C   . VAL A 1 209 ? -13.057 3.955   14.087  1.000 10.409 0 209 VAL A C   1 ? 
ATOM   1512 O  O   . VAL A 1 209 ? -13.950 3.976   13.260  1.000 9.981  0 209 VAL A O   1 ? 
ATOM   1513 C  CB  . VAL A 1 209 ? -10.685 3.935   13.129  1.000 10.126 0 209 VAL A CB  1 ? 
ATOM   1514 C  CG1 . VAL A 1 209 ? -11.281 3.249   11.895  1.000 10.637 0 209 VAL A CG1 1 ? 
ATOM   1515 C  CG2 . VAL A 1 209 ? -9.481  4.780   12.730  1.000 10.110 0 209 VAL A CG2 1 ? 
ATOM   1516 N  N   . CYS A 1 210 ? -13.163 3.196   15.176  1.000 10.621 0 210 CYS A N   1 ? 
ATOM   1517 C  CA  . CYS A 1 210 ? -14.338 2.347   15.353  1.000 11.296 0 210 CYS A CA  1 ? 
ATOM   1518 C  C   . CYS A 1 210 ? -15.619 3.160   15.365  1.000 11.965 0 210 CYS A C   1 ? 
ATOM   1519 O  O   . CYS A 1 210 ? -16.684 2.672   14.984  1.000 13.221 0 210 CYS A O   1 ? 
ATOM   1520 C  CB  . CYS A 1 210 ? -14.190 1.491   16.593  1.000 12.299 0 210 CYS A CB  1 ? 
ATOM   1521 S  SG  . CYS A 1 210 ? -14.090 2.425   18.129  1.000 13.439 0 210 CYS A SG  1 ? 
ATOM   1522 N  N   . ASN A 1 211 ? -15.534 4.438   15.722  1.000 10.229 0 211 ASN A N   1 ? 
ATOM   1523 C  CA  . ASN A 1 211 ? -16.735 5.272   15.725  1.000 9.974  0 211 ASN A CA  1 ? 
ATOM   1524 C  C   . ASN A 1 211 ? -17.235 5.615   14.333  1.000 11.353 0 211 ASN A C   1 ? 
ATOM   1525 O  O   . ASN A 1 211 ? -18.360 6.111   14.180  1.000 15.096 0 211 ASN A O   1 ? 
ATOM   1526 C  CB  . ASN A 1 211 ? -16.499 6.603   16.426  1.000 10.024 0 211 ASN A CB  1 ? 
ATOM   1527 C  CG  . ASN A 1 211 ? -16.282 6.460   17.910  1.000 11.804 0 211 ASN A CG  1 ? 
ATOM   1528 O  OD1 . ASN A 1 211 ? -16.315 5.356   18.486  1.000 14.156 0 211 ASN A OD1 1 ? 
ATOM   1529 N  ND2 . ASN A 1 211 ? -16.023 7.585   18.549  1.000 12.371 0 211 ASN A ND2 1 ? 
ATOM   1530 N  N   . TYR A 1 212 ? -16.391 5.398   13.327  1.000 10.548 0 212 TYR A N   1 ? 
ATOM   1531 C  CA  . TYR A 1 212 ? -16.592 5.881   11.973  1.000 10.585 0 212 TYR A CA  1 ? 
ATOM   1532 C  C   . TYR A 1 212 ? -16.883 4.759   10.971  1.000 11.074 0 212 TYR A C   1 ? 
ATOM   1533 O  O   . TYR A 1 212 ? -17.005 5.022   9.788   1.000 12.749 0 212 TYR A O   1 ? 
ATOM   1534 C  CB  . TYR A 1 212 ? -15.330 6.624   11.537  1.000 10.464 0 212 TYR A CB  1 ? 
ATOM   1535 C  CG  . TYR A 1 212 ? -15.158 7.867   12.397  1.000 9.640  0 212 TYR A CG  1 ? 
ATOM   1536 C  CD1 . TYR A 1 212 ? -15.992 8.965   12.222  1.000 10.364 0 212 TYR A CD1 1 ? 
ATOM   1537 C  CD2 . TYR A 1 212 ? -14.214 7.930   13.417  1.000 9.744  0 212 TYR A CD2 1 ? 
ATOM   1538 C  CE1 . TYR A 1 212 ? -15.951 10.057  13.065  1.000 9.518  0 212 TYR A CE1 1 ? 
ATOM   1539 C  CE2 . TYR A 1 212 ? -14.128 9.048   14.229  1.000 9.720  0 212 TYR A CE2 1 ? 
ATOM   1540 C  CZ  . TYR A 1 212 ? -14.953 10.132  14.015  1.000 9.412  0 212 TYR A CZ  1 ? 
ATOM   1541 O  OH  . TYR A 1 212 ? -14.871 11.231  14.846  1.000 10.939 0 212 TYR A OH  1 ? 
ATOM   1542 N  N   . VAL A 1 213 ? -16.931 3.514   11.415  1.000 12.724 0 213 VAL A N   1 ? 
ATOM   1543 C  CA  . VAL A 1 213 ? -17.021 2.421   10.446  1.000 13.649 0 213 VAL A CA  1 ? 
ATOM   1544 C  C   . VAL A 1 213 ? -18.318 2.514   9.646   1.000 13.322 0 213 VAL A C   1 ? 
ATOM   1545 O  O   . VAL A 1 213 ? -18.313 2.181   8.447   1.000 14.375 0 213 VAL A O   1 ? 
ATOM   1546 C  CB  . VAL A 1 213 ? -16.853 1.072   11.178  1.000 15.816 0 213 VAL A CB  1 ? 
ATOM   1547 C  CG1 . VAL A 1 213 ? -17.215 -0.107  10.284  1.000 18.797 0 213 VAL A CG1 1 ? 
ATOM   1548 C  CG2 . VAL A 1 213 ? -15.419 0.900   11.681  1.000 15.934 0 213 VAL A CG2 1 ? 
ATOM   1549 N  N   . SER A 1 214 ? -19.429 2.871   10.289  1.000 13.256 0 214 SER A N   1 ? 
ATOM   1550 C  CA  . SER A 1 214 ? -20.707 3.013   9.587   1.000 16.418 0 214 SER A CA  1 ? 
ATOM   1551 C  C   . SER A 1 214 ? -20.626 4.105   8.522   1.000 13.524 0 214 SER A C   1 ? 
ATOM   1552 O  O   . SER A 1 214 ? -21.113 3.898   7.424   1.000 13.721 0 214 SER A O   1 ? 
ATOM   1553 C  CB  . SER A 1 214 ? -21.840 3.346   10.530  1.000 20.954 0 214 SER A CB  1 ? 
ATOM   1554 O  OG  . SER A 1 214 ? -22.049 2.288   11.453  1.000 31.235 0 214 SER A OG  1 ? 
ATOM   1555 N  N   . TRP A 1 215 ? -20.034 5.255   8.883   1.000 11.755 0 215 TRP A N   1 ? 
ATOM   1556 C  CA  . TRP A 1 215 ? -19.828 6.314   7.909   1.000 11.742 0 215 TRP A CA  1 ? 
ATOM   1557 C  C   . TRP A 1 215 ? -18.912 5.863   6.761   1.000 11.401 0 215 TRP A C   1 ? 
ATOM   1558 O  O   . TRP A 1 215 ? -19.178 6.127   5.585   1.000 11.725 0 215 TRP A O   1 ? 
ATOM   1559 C  CB  . TRP A 1 215 ? -19.320 7.595   8.592   1.000 11.459 0 215 TRP A CB  1 ? 
ATOM   1560 C  CG  . TRP A 1 215 ? -18.898 8.647   7.594   1.000 10.801 0 215 TRP A CG  1 ? 
ATOM   1561 C  CD1 . TRP A 1 215 ? -19.693 9.464   6.853   1.000 10.886 0 215 TRP A CD1 1 ? 
ATOM   1562 C  CD2 . TRP A 1 215 ? -17.548 9.025   7.264   1.000 10.373 0 215 TRP A CD2 1 ? 
ATOM   1563 N  NE1 . TRP A 1 215 ? -18.943 10.338  6.104   1.000 10.721 0 215 TRP A NE1 1 ? 
ATOM   1564 C  CE2 . TRP A 1 215 ? -17.613 10.083  6.331   1.000 10.110 0 215 TRP A CE2 1 ? 
ATOM   1565 C  CE3 . TRP A 1 215 ? -16.289 8.559   7.687   1.000 10.789 0 215 TRP A CE3 1 ? 
ATOM   1566 C  CZ2 . TRP A 1 215 ? -16.474 10.658  5.771   1.000 10.007 0 215 TRP A CZ2 1 ? 
ATOM   1567 C  CZ3 . TRP A 1 215 ? -15.173 9.160   7.158   1.000 10.702 0 215 TRP A CZ3 1 ? 
ATOM   1568 C  CH2 . TRP A 1 215 ? -15.263 10.175  6.203   1.000 10.175 0 215 TRP A CH2 1 ? 
ATOM   1569 N  N   . ILE A 1 216 ? -17.818 5.185   7.097   1.000 10.629 0 216 ILE A N   1 ? 
ATOM   1570 C  CA  . ILE A 1 216 ? -16.921 4.687   6.073   1.000 11.315 0 216 ILE A CA  1 ? 
ATOM   1571 C  C   . ILE A 1 216 ? -17.662 3.752   5.124   1.000 11.576 0 216 ILE A C   1 ? 
ATOM   1572 O  O   . ILE A 1 216 ? -17.582 3.943   3.916   1.000 10.246 0 216 ILE A O   1 ? 
ATOM   1573 C  CB  . ILE A 1 216 ? -15.662 4.046   6.658   1.000 11.263 0 216 ILE A CB  1 ? 
ATOM   1574 C  CG1 . ILE A 1 216 ? -14.793 5.036   7.404   1.000 11.863 0 216 ILE A CG1 1 ? 
ATOM   1575 C  CG2 . ILE A 1 216 ? -14.857 3.327   5.576   1.000 11.417 0 216 ILE A CG2 1 ? 
ATOM   1576 C  CD1 . ILE A 1 216 ? -13.827 4.367   8.367   1.000 13.048 0 216 ILE A CD1 1 ? 
ATOM   1577 N  N   . LYS A 1 217 ? -18.386 2.763   5.663   1.000 12.580 0 217 LYS A N   1 ? 
ATOM   1578 C  CA  . LYS A 1 217 ? -19.000 1.777   4.775   1.000 13.544 0 217 LYS A CA  1 ? 
ATOM   1579 C  C   . LYS A 1 217 ? -20.075 2.404   3.889   1.000 13.579 0 217 LYS A C   1 ? 
ATOM   1580 O  O   . LYS A 1 217 ? -20.127 2.127   2.690   1.000 13.790 0 217 LYS A O   1 ? 
ATOM   1581 C  CB  . LYS A 1 217 ? -19.558 0.622   5.602   1.000 15.124 0 217 LYS A CB  1 ? 
ATOM   1582 C  CG  . LYS A 1 217 ? -18.468 -0.234  6.254   1.000 20.558 0 217 LYS A CG  1 ? 
ATOM   1583 C  CD  . LYS A 1 217 ? -19.050 -1.327  7.165   1.000 26.372 0 217 LYS A CD  1 ? 
ATOM   1584 C  CE  . LYS A 1 217 ? -18.029 -2.301  7.642   1.000 31.063 0 217 LYS A CE  1 ? 
ATOM   1585 N  NZ  . LYS A 1 217 ? -17.418 -2.976  6.490   1.000 32.477 0 217 LYS A NZ  1 ? 
ATOM   1586 N  N   . GLN A 1 218 ? -20.910 3.295   4.423   1.000 13.062 0 218 GLN A N   1 ? 
ATOM   1587 C  CA  . GLN A 1 218 ? -21.969 3.854   3.606   1.000 14.263 0 218 GLN A CA  1 ? 
ATOM   1588 C  C   . GLN A 1 218 ? -21.364 4.751   2.534   1.000 12.300 0 218 GLN A C   1 ? 
ATOM   1589 O  O   . GLN A 1 218 ? -21.894 4.827   1.417   1.000 13.626 0 218 GLN A O   1 ? 
ATOM   1590 C  CB  . GLN A 1 218 ? -23.008 4.436   4.561   1.000 18.042 0 218 GLN A CB  1 ? 
ATOM   1591 C  CG  . GLN A 1 218 ? -22.659 5.800   5.117   1.000 24.472 0 218 GLN A CG  1 ? 
ATOM   1592 C  CD  . GLN A 1 218 ? -23.155 6.937   4.249   1.000 28.897 0 218 GLN A CD  1 ? 
ATOM   1593 O  OE1 . GLN A 1 218 ? -23.742 6.732   3.169   1.000 28.189 0 218 GLN A OE1 1 ? 
ATOM   1594 N  NE2 . GLN A 1 218 ? -22.914 8.150   4.741   1.000 27.644 0 218 GLN A NE2 1 ? 
ATOM   1595 N  N   . THR A 1 219 ? -20.251 5.441   2.877   1.000 11.452 0 219 THR A N   1 ? 
ATOM   1596 C  CA  . THR A 1 219 ? -19.651 6.388   1.956   1.000 13.308 0 219 THR A CA  1 ? 
ATOM   1597 C  C   . THR A 1 219 ? -19.077 5.595   0.783   1.000 14.668 0 219 THR A C   1 ? 
ATOM   1598 O  O   . THR A 1 219 ? -19.310 5.930   -0.380  1.000 12.605 0 219 THR A O   1 ? 
ATOM   1599 C  CB  . THR A 1 219 ? -18.618 7.296   2.640   1.000 13.126 0 219 THR A CB  1 ? 
ATOM   1600 O  OG1 . THR A 1 219 ? -19.264 8.018   3.687   1.000 12.143 0 219 THR A OG1 1 ? 
ATOM   1601 C  CG2 . THR A 1 219 ? -17.950 8.218   1.630   1.000 12.125 0 219 THR A CG2 1 ? 
ATOM   1602 N  N   . ILE A 1 220 ? -18.366 4.500   1.089   1.000 13.362 0 220 ILE A N   1 ? 
ATOM   1603 C  CA  . ILE A 1 220 ? -17.819 3.642   0.054   1.000 14.030 0 220 ILE A CA  1 ? 
ATOM   1604 C  C   . ILE A 1 220 ? -18.939 3.077   -0.806  1.000 14.441 0 220 ILE A C   1 ? 
ATOM   1605 O  O   . ILE A 1 220 ? -18.776 2.911   -2.008  1.000 17.186 0 220 ILE A O   1 ? 
ATOM   1606 C  CB  . ILE A 1 220 ? -16.956 2.545   0.691   1.000 16.180 0 220 ILE A CB  1 ? 
ATOM   1607 C  CG1 . ILE A 1 220 ? -15.672 3.170   1.256   1.000 16.807 0 220 ILE A CG1 1 ? 
ATOM   1608 C  CG2 . ILE A 1 220 ? -16.678 1.408   -0.305  1.000 16.220 0 220 ILE A CG2 1 ? 
ATOM   1609 C  CD1 . ILE A 1 220 ? -14.802 2.216   2.062   1.000 19.749 0 220 ILE A CD1 1 ? 
ATOM   1610 N  N   . ALA A 1 221 ? -20.075 2.760   -0.193  1.000 14.732 0 221 ALA A N   1 ? 
ATOM   1611 C  CA  . ALA A 1 221 ? -21.142 2.106   -0.933  1.000 14.554 0 221 ALA A CA  1 ? 
ATOM   1612 C  C   . ALA A 1 221 ? -21.821 3.044   -1.921  1.000 17.413 0 221 ALA A C   1 ? 
ATOM   1613 O  O   . ALA A 1 221 ? -22.614 2.576   -2.743  1.000 16.806 0 221 ALA A O   1 ? 
ATOM   1614 C  CB  . ALA A 1 221 ? -22.163 1.588   0.038   1.000 15.436 0 221 ALA A CB  1 ? 
ATOM   1615 N  N   . SER A 1 222 ? -21.609 4.362   -1.777  1.000 17.328 0 222 SER A N   1 ? 
ATOM   1616 C  CA  . SER A 1 222 ? -22.376 5.304   -2.567  1.000 16.782 0 222 SER A CA  1 ? 
ATOM   1617 C  C   . SER A 1 222 ? -21.502 6.191   -3.439  1.000 18.621 0 222 SER A C   1 ? 
ATOM   1618 O  O   . SER A 1 222 ? -22.003 7.121   -4.061  1.000 18.583 0 222 SER A O   1 ? 
ATOM   1619 C  CB  . SER A 1 222 ? -23.263 6.094   -1.701  1.000 21.061 0 222 SER A CB  1 ? 
ATOM   1620 O  OG  . SER A 1 222 ? -24.377 5.297   -1.343  1.000 24.181 0 222 SER A OG  1 ? 
ATOM   1621 N  N   . ASN A 1 223 ? -20.214 5.874   -3.544  1.000 16.241 0 223 ASN A N   1 ? 
ATOM   1622 C  CA  . ASN A 1 223 ? -19.258 6.748   -4.207  1.000 17.750 0 223 ASN A CA  1 ? 
ATOM   1623 C  C   . ASN A 1 223 ? -18.274 5.904   -5.031  1.000 18.648 0 223 ASN A C   1 ? 
ATOM   1624 O  O   . ASN A 1 223 ? -17.462 6.529   -5.687  1.000 23.048 0 223 ASN A O   1 ? 
ATOM   1625 C  CB  . ASN A 1 223 ? -18.523 7.627   -3.205  1.000 16.711 0 223 ASN A CB  1 ? 
ATOM   1626 C  CG  . ASN A 1 223 ? -19.372 8.746   -2.665  1.000 16.850 0 223 ASN A CG  1 ? 
ATOM   1627 O  OD1 . ASN A 1 223 ? -19.505 9.806   -3.299  1.000 19.487 0 223 ASN A OD1 1 ? 
ATOM   1628 N  ND2 . ASN A 1 223 ? -19.903 8.550   -1.469  1.000 16.788 0 223 ASN A ND2 1 ? 
ATOM   1629 O  OXT . ASN A 1 223 ? -18.321 4.654   -4.958  1.000 21.691 0 223 ASN A OXT 1 ? 
HETATM 1630 CA CA  . CA  B 2 .   ? 10.091  4.467   -3.219  1.000 9.901  0 301 CA  A CA  1 ? 
HETATM 1631 C  C1  . BEN C 3 .   ? 1.717   14.245  17.038  1.000 13.310 0 302 BEN A C1  1 ? 
HETATM 1632 C  C2  . BEN C 3 .   ? 1.418   13.610  15.842  1.000 12.760 0 302 BEN A C2  1 ? 
HETATM 1633 C  C3  . BEN C 3 .   ? 1.090   14.314  14.701  1.000 13.785 0 302 BEN A C3  1 ? 
HETATM 1634 C  C4  . BEN C 3 .   ? 1.054   15.682  14.741  1.000 15.672 0 302 BEN A C4  1 ? 
HETATM 1635 C  C5  . BEN C 3 .   ? 1.274   16.331  15.937  1.000 15.100 0 302 BEN A C5  1 ? 
HETATM 1636 C  C6  . BEN C 3 .   ? 1.658   15.634  17.078  1.000 14.795 0 302 BEN A C6  1 ? 
HETATM 1637 C  C   . BEN C 3 .   ? 2.074   13.446  18.241  1.000 12.545 0 302 BEN A C   1 ? 
HETATM 1638 N  N1  . BEN C 3 .   ? 1.708   12.210  18.411  1.000 11.162 0 302 BEN A N1  1 ? 
HETATM 1639 N  N2  . BEN C 3 .   ? 2.840   14.026  19.171  1.000 13.639 0 302 BEN A N2  1 ? 
HETATM 1640 O  O   . HOH D 4 .   ? 5.117   5.330   31.614  1.000 43.269 0 401 HOH A O   1 ? 
HETATM 1641 O  O   . HOH D 4 .   ? 8.698   1.829   26.776  1.000 32.098 0 402 HOH A O   1 ? 
HETATM 1642 O  O   . HOH D 4 .   ? 5.001   -12.197 -1.278  1.000 34.350 0 403 HOH A O   1 ? 
HETATM 1643 O  O   . HOH D 4 .   ? 5.937   17.659  29.067  1.000 25.078 0 404 HOH A O   1 ? 
HETATM 1644 O  O   . HOH D 4 .   ? -6.243  20.889  22.049  1.000 27.792 0 405 HOH A O   1 ? 
HETATM 1645 O  O   . HOH D 4 .   ? -23.132 8.017   7.204   1.000 37.817 0 406 HOH A O   1 ? 
HETATM 1646 O  O   . HOH D 4 .   ? 8.100   18.402  14.590  1.000 31.683 0 407 HOH A O   1 ? 
HETATM 1647 O  O   . HOH D 4 .   ? 3.447   1.096   -10.280 1.000 42.379 0 408 HOH A O   1 ? 
HETATM 1648 O  O   . HOH D 4 .   ? 10.137  2.285   -2.095  1.000 11.224 0 409 HOH A O   1 ? 
HETATM 1649 O  O   . HOH D 4 .   ? 6.538   17.289  8.559   1.000 37.113 0 410 HOH A O   1 ? 
HETATM 1650 O  O   . HOH D 4 .   ? -2.973  -8.160  -0.762  1.000 29.094 0 411 HOH A O   1 ? 
HETATM 1651 O  O   . HOH D 4 .   ? -18.645 9.702   16.683  1.000 38.074 0 412 HOH A O   1 ? 
HETATM 1652 O  O   . HOH D 4 .   ? 9.189   -4.243  -9.753  1.000 37.401 0 413 HOH A O   1 ? 
HETATM 1653 O  O   . HOH D 4 .   ? 14.542  0.486   1.310   1.000 23.363 0 414 HOH A O   1 ? 
HETATM 1654 O  O   . HOH D 4 .   ? 16.615  10.760  14.163  1.000 30.519 0 415 HOH A O   1 ? 
HETATM 1655 O  O   . HOH D 4 .   ? -14.759 -1.567  -7.164  1.000 43.070 0 416 HOH A O   1 ? 
HETATM 1656 O  O   . HOH D 4 .   ? -10.594 -2.895  5.135   1.000 19.818 0 417 HOH A O   1 ? 
HETATM 1657 O  O   . HOH D 4 .   ? -13.990 -1.038  -2.549  1.000 62.840 0 418 HOH A O   1 ? 
HETATM 1658 O  O   . HOH D 4 .   ? -4.610  5.456   -12.337 1.000 30.206 0 419 HOH A O   1 ? 
HETATM 1659 O  O   . HOH D 4 .   ? 1.966   7.912   20.407  1.000 11.379 0 420 HOH A O   1 ? 
HETATM 1660 O  O   . HOH D 4 .   ? -9.116  26.026  12.015  1.000 16.988 0 421 HOH A O   1 ? 
HETATM 1661 O  O   . HOH D 4 .   ? -8.573  4.004   26.083  1.000 32.906 0 422 HOH A O   1 ? 
HETATM 1662 O  O   . HOH D 4 .   ? 13.147  20.972  17.986  1.000 61.724 0 423 HOH A O   1 ? 
HETATM 1663 O  O   . HOH D 4 .   ? 4.321   -1.649  1.073   1.000 14.755 0 424 HOH A O   1 ? 
HETATM 1664 O  O   . HOH D 4 .   ? 13.935  8.901   17.173  1.000 19.545 0 425 HOH A O   1 ? 
HETATM 1665 O  O   . HOH D 4 .   ? -4.350  1.206   -10.738 1.000 20.519 0 426 HOH A O   1 ? 
HETATM 1666 O  O   . HOH D 4 .   ? 10.265  11.831  5.673   1.000 20.412 0 427 HOH A O   1 ? 
HETATM 1667 O  O   . HOH D 4 .   ? -14.778 7.151   23.019  1.000 33.032 0 428 HOH A O   1 ? 
HETATM 1668 O  O   . HOH D 4 .   ? 13.712  -0.058  5.276   1.000 12.752 0 429 HOH A O   1 ? 
HETATM 1669 O  O   . HOH D 4 .   ? -4.938  5.896   8.437   1.000 12.658 0 430 HOH A O   1 ? 
HETATM 1670 O  O   . HOH D 4 .   ? -16.540 5.485   21.097  1.000 27.177 0 431 HOH A O   1 ? 
HETATM 1671 O  O   . HOH D 4 .   ? -15.396 20.556  18.155  1.000 13.917 0 432 HOH A O   1 ? 
HETATM 1672 O  O   . HOH D 4 .   ? -14.722 -2.180  0.516   1.000 43.924 0 433 HOH A O   1 ? 
HETATM 1673 O  O   . HOH D 4 .   ? -0.942  -2.539  -11.208 1.000 48.942 0 434 HOH A O   1 ? 
HETATM 1674 O  O   . HOH D 4 .   ? -9.857  8.378   25.373  1.000 25.742 0 435 HOH A O   1 ? 
HETATM 1675 O  O   . HOH D 4 .   ? -12.734 0.013   -9.668  1.000 32.212 0 436 HOH A O   1 ? 
HETATM 1676 O  O   . HOH D 4 .   ? 12.526  11.632  3.248   1.000 31.477 0 437 HOH A O   1 ? 
HETATM 1677 O  O   . HOH D 4 .   ? 0.785   0.465   11.250  1.000 10.280 0 438 HOH A O   1 ? 
HETATM 1678 O  O   . HOH D 4 .   ? -21.585 11.302  -4.050  1.000 26.431 0 439 HOH A O   1 ? 
HETATM 1679 O  O   . HOH D 4 .   ? -10.962 2.630   17.052  1.000 11.492 0 440 HOH A O   1 ? 
HETATM 1680 O  O   . HOH D 4 .   ? 14.782  1.608   17.955  1.000 23.552 0 441 HOH A O   1 ? 
HETATM 1681 O  O   . HOH D 4 .   ? 7.807   0.266   21.995  1.000 22.014 0 442 HOH A O   1 ? 
HETATM 1682 O  O   . HOH D 4 .   ? 10.077  -2.034  -2.144  1.000 14.500 0 443 HOH A O   1 ? 
HETATM 1683 O  O   . HOH D 4 .   ? 6.939   -4.230  10.167  1.000 30.241 0 444 HOH A O   1 ? 
HETATM 1684 O  O   . HOH D 4 .   ? 9.955   17.469  17.048  1.000 26.633 0 445 HOH A O   1 ? 
HETATM 1685 O  O   . HOH D 4 .   ? 18.413  14.530  8.715   1.000 41.905 0 446 HOH A O   1 ? 
HETATM 1686 O  O   . HOH D 4 .   ? -13.027 -6.583  11.430  1.000 28.927 0 447 HOH A O   1 ? 
HETATM 1687 O  O   . HOH D 4 .   ? -17.750 8.980   -6.791  1.000 32.429 0 448 HOH A O   1 ? 
HETATM 1688 O  O   . HOH D 4 .   ? -12.615 -1.789  -4.425  1.000 25.333 0 449 HOH A O   1 ? 
HETATM 1689 O  O   . HOH D 4 .   ? 2.968   -2.886  -5.957  1.000 18.036 0 450 HOH A O   1 ? 
HETATM 1690 O  O   . HOH D 4 .   ? 3.970   11.274  26.458  1.000 17.290 0 451 HOH A O   1 ? 
HETATM 1691 O  O   . HOH D 4 .   ? -0.124  18.398  -6.159  1.000 31.960 0 452 HOH A O   1 ? 
HETATM 1692 O  O   . HOH D 4 .   ? 10.922  1.601   19.708  1.000 20.752 0 453 HOH A O   1 ? 
HETATM 1693 O  O   . HOH D 4 .   ? -2.280  1.499   28.856  1.000 22.395 0 454 HOH A O   1 ? 
HETATM 1694 O  O   . HOH D 4 .   ? -1.673  0.484   -9.802  1.000 19.181 0 455 HOH A O   1 ? 
HETATM 1695 O  O   . HOH D 4 .   ? 13.540  9.247   21.835  1.000 24.172 0 456 HOH A O   1 ? 
HETATM 1696 O  O   . HOH D 4 .   ? 3.811   -7.219  3.671   1.000 19.441 0 457 HOH A O   1 ? 
HETATM 1697 O  O   . HOH D 4 .   ? -2.412  -5.933  23.124  1.000 37.867 0 458 HOH A O   1 ? 
HETATM 1698 O  O   . HOH D 4 .   ? -1.256  19.452  18.683  1.000 25.411 0 459 HOH A O   1 ? 
HETATM 1699 O  O   . HOH D 4 .   ? -1.484  -5.417  17.694  1.000 29.950 0 460 HOH A O   1 ? 
HETATM 1700 O  O   . HOH D 4 .   ? -7.592  21.316  8.879   1.000 13.278 0 461 HOH A O   1 ? 
HETATM 1701 O  O   . HOH D 4 .   ? -18.792 9.774   19.402  1.000 31.603 0 462 HOH A O   1 ? 
HETATM 1702 O  O   . HOH D 4 .   ? 3.496   18.668  17.527  1.000 23.784 0 463 HOH A O   1 ? 
HETATM 1703 O  O   . HOH D 4 .   ? 9.812   -6.006  -0.256  1.000 25.978 0 464 HOH A O   1 ? 
HETATM 1704 O  O   . HOH D 4 .   ? 11.272  0.489   6.668   1.000 11.439 0 465 HOH A O   1 ? 
HETATM 1705 O  O   . HOH D 4 .   ? -10.181 19.053  21.090  1.000 13.989 0 466 HOH A O   1 ? 
HETATM 1706 O  O   . HOH D 4 .   ? 8.518   18.214  20.524  1.000 20.769 0 467 HOH A O   1 ? 
HETATM 1707 O  O   . HOH D 4 .   ? -8.674  -5.599  4.380   1.000 32.947 0 468 HOH A O   1 ? 
HETATM 1708 O  O   . HOH D 4 .   ? -0.920  9.974   -10.820 1.000 20.827 0 469 HOH A O   1 ? 
HETATM 1709 O  O   . HOH D 4 .   ? 16.385  1.846   -7.357  1.000 27.119 0 470 HOH A O   1 ? 
HETATM 1710 O  O   . HOH D 4 .   ? -8.246  -4.418  17.396  1.000 15.343 0 471 HOH A O   1 ? 
HETATM 1711 O  O   . HOH D 4 .   ? 4.480   15.002  22.893  1.000 16.879 0 472 HOH A O   1 ? 
HETATM 1712 O  O   . HOH D 4 .   ? 3.357   -5.226  9.977   1.000 24.759 0 473 HOH A O   1 ? 
HETATM 1713 O  O   . HOH D 4 .   ? 2.776   13.942  -6.885  1.000 19.524 0 474 HOH A O   1 ? 
HETATM 1714 O  O   . HOH D 4 .   ? -8.888  4.804   34.452  1.000 48.738 0 475 HOH A O   1 ? 
HETATM 1715 O  O   . HOH D 4 .   ? -5.640  4.756   34.186  1.000 37.277 0 476 HOH A O   1 ? 
HETATM 1716 O  O   . HOH D 4 .   ? 14.688  5.118   17.902  1.000 33.019 0 477 HOH A O   1 ? 
HETATM 1717 O  O   . HOH D 4 .   ? 3.588   17.117  6.944   1.000 37.821 0 478 HOH A O   1 ? 
HETATM 1718 O  O   . HOH D 4 .   ? -19.035 12.146  14.950  1.000 28.460 0 479 HOH A O   1 ? 
HETATM 1719 O  O   . HOH D 4 .   ? 7.467   8.959   -2.661  1.000 10.484 0 480 HOH A O   1 ? 
HETATM 1720 O  O   . HOH D 4 .   ? -12.413 9.095   24.243  1.000 32.390 0 481 HOH A O   1 ? 
HETATM 1721 O  O   . HOH D 4 .   ? -5.972  20.833  5.508   1.000 29.747 0 482 HOH A O   1 ? 
HETATM 1722 O  O   . HOH D 4 .   ? -7.940  16.050  -2.655  1.000 26.606 0 483 HOH A O   1 ? 
HETATM 1723 O  O   . HOH D 4 .   ? -8.623  20.100  6.446   1.000 17.142 0 484 HOH A O   1 ? 
HETATM 1724 O  O   . HOH D 4 .   ? 11.525  -6.348  3.783   1.000 31.372 0 485 HOH A O   1 ? 
HETATM 1725 O  O   . HOH D 4 .   ? -0.017  16.904  30.455  1.000 26.161 0 486 HOH A O   1 ? 
HETATM 1726 O  O   . HOH D 4 .   ? -1.875  17.733  14.217  1.000 14.210 0 487 HOH A O   1 ? 
HETATM 1727 O  O   . HOH D 4 .   ? -1.996  11.312  32.175  1.000 22.614 0 488 HOH A O   1 ? 
HETATM 1728 O  O   . HOH D 4 .   ? -7.857  -9.666  15.581  1.000 28.770 0 489 HOH A O   1 ? 
HETATM 1729 O  O   . HOH D 4 .   ? 6.089   -0.869  -9.224  1.000 21.795 0 490 HOH A O   1 ? 
HETATM 1730 O  O   . HOH D 4 .   ? 1.947   7.816   8.902   1.000 9.641  0 491 HOH A O   1 ? 
HETATM 1731 O  O   . HOH D 4 .   ? 15.517  15.418  19.869  1.000 41.332 0 492 HOH A O   1 ? 
HETATM 1732 O  O   . HOH D 4 .   ? -18.213 19.443  14.546  1.000 17.016 0 493 HOH A O   1 ? 
HETATM 1733 O  O   . HOH D 4 .   ? 4.042   -7.099  18.943  1.000 24.048 0 494 HOH A O   1 ? 
HETATM 1734 O  O   . HOH D 4 .   ? -5.520  13.973  -7.569  1.000 22.398 0 495 HOH A O   1 ? 
HETATM 1735 O  O   . HOH D 4 .   ? 12.982  4.247   21.832  1.000 23.235 0 496 HOH A O   1 ? 
HETATM 1736 O  O   . HOH D 4 .   ? -9.543  -5.382  0.129   1.000 22.585 0 497 HOH A O   1 ? 
HETATM 1737 O  O   . HOH D 4 .   ? -19.776 4.050   -7.220  1.000 15.196 0 498 HOH A O   1 ? 
HETATM 1738 O  O   . HOH D 4 .   ? -1.350  20.648  -3.410  1.000 44.728 0 499 HOH A O   1 ? 
HETATM 1739 O  O   . HOH D 4 .   ? -22.890 1.816   7.077   1.000 26.274 0 500 HOH A O   1 ? 
HETATM 1740 O  O   . HOH D 4 .   ? -5.982  -7.361  3.126   1.000 20.222 0 501 HOH A O   1 ? 
HETATM 1741 O  O   . HOH D 4 .   ? -12.662 -4.262  22.882  1.000 37.243 0 502 HOH A O   1 ? 
HETATM 1742 O  O   . HOH D 4 .   ? 2.307   3.390   28.188  1.000 15.989 0 503 HOH A O   1 ? 
HETATM 1743 O  O   . HOH D 4 .   ? 8.365   15.937  2.546   1.000 26.791 0 504 HOH A O   1 ? 
HETATM 1744 O  O   . HOH D 4 .   ? 8.911   0.138   -3.363  1.000 10.929 0 505 HOH A O   1 ? 
HETATM 1745 O  O   . HOH D 4 .   ? 0.215   -8.572  2.993   1.000 21.031 0 506 HOH A O   1 ? 
HETATM 1746 O  O   . HOH D 4 .   ? 11.506  13.370  24.493  1.000 43.048 0 507 HOH A O   1 ? 
HETATM 1747 O  O   . HOH D 4 .   ? -8.719  16.461  32.717  1.000 33.162 0 508 HOH A O   1 ? 
HETATM 1748 O  O   . HOH D 4 .   ? 16.031  8.353   -6.323  1.000 14.838 0 509 HOH A O   1 ? 
HETATM 1749 O  O   . HOH D 4 .   ? -8.999  12.076  33.963  1.000 24.201 0 510 HOH A O   1 ? 
HETATM 1750 O  O   . HOH D 4 .   ? 3.257   3.367   0.538   1.000 10.030 0 511 HOH A O   1 ? 
HETATM 1751 O  O   . HOH D 4 .   ? 8.382   1.019   -9.173  1.000 22.706 0 512 HOH A O   1 ? 
HETATM 1752 O  O   . HOH D 4 .   ? -6.235  -6.561  7.526   1.000 25.610 0 513 HOH A O   1 ? 
HETATM 1753 O  O   . HOH D 4 .   ? -16.299 15.333  -1.725  1.000 25.200 0 514 HOH A O   1 ? 
HETATM 1754 O  O   . HOH D 4 .   ? 1.381   20.290  3.227   1.000 25.046 0 515 HOH A O   1 ? 
HETATM 1755 O  O   . HOH D 4 .   ? 9.116   8.402   10.951  1.000 11.324 0 516 HOH A O   1 ? 
HETATM 1756 O  O   . HOH D 4 .   ? 6.908   1.841   29.290  1.000 27.410 0 517 HOH A O   1 ? 
HETATM 1757 O  O   . HOH D 4 .   ? 1.020   0.420   0.531   1.000 13.646 0 518 HOH A O   1 ? 
HETATM 1758 O  O   . HOH D 4 .   ? 9.283   6.357   -4.450  1.000 10.247 0 519 HOH A O   1 ? 
HETATM 1759 O  O   . HOH D 4 .   ? -19.655 9.349   11.466  1.000 15.281 0 520 HOH A O   1 ? 
HETATM 1760 O  O   . HOH D 4 .   ? 3.650   8.812   23.432  1.000 14.246 0 521 HOH A O   1 ? 
HETATM 1761 O  O   . HOH D 4 .   ? 7.905   -0.006  3.600   1.000 10.446 0 522 HOH A O   1 ? 
HETATM 1762 O  O   . HOH D 4 .   ? -12.333 22.739  26.962  1.000 29.499 0 523 HOH A O   1 ? 
HETATM 1763 O  O   . HOH D 4 .   ? 2.710   5.397   29.881  1.000 20.119 0 524 HOH A O   1 ? 
HETATM 1764 O  O   . HOH D 4 .   ? 3.754   9.247   7.247   1.000 8.608  0 525 HOH A O   1 ? 
HETATM 1765 O  O   . HOH D 4 .   ? -10.608 24.837  8.424   1.000 18.429 0 526 HOH A O   1 ? 
HETATM 1766 O  O   . HOH D 4 .   ? -15.974 -3.508  10.401  1.000 30.805 0 527 HOH A O   1 ? 
HETATM 1767 O  O   . HOH D 4 .   ? -23.264 -0.155  -3.003  1.000 29.564 0 528 HOH A O   1 ? 
HETATM 1768 O  O   . HOH D 4 .   ? -19.499 -0.492  1.856   1.000 20.493 0 529 HOH A O   1 ? 
HETATM 1769 O  O   . HOH D 4 .   ? -8.628  29.090  14.012  1.000 11.777 0 530 HOH A O   1 ? 
HETATM 1770 O  O   . HOH D 4 .   ? 14.581  12.987  19.856  1.000 31.364 0 531 HOH A O   1 ? 
HETATM 1771 O  O   . HOH D 4 .   ? -7.253  7.141   25.508  1.000 14.281 0 532 HOH A O   1 ? 
HETATM 1772 O  O   . HOH D 4 .   ? -8.726  13.939  16.691  1.000 12.969 0 533 HOH A O   1 ? 
HETATM 1773 O  O   . HOH D 4 .   ? 11.916  6.348   15.018  1.000 14.903 0 534 HOH A O   1 ? 
HETATM 1774 O  O   . HOH D 4 .   ? -9.936  15.929  27.894  1.000 19.147 0 535 HOH A O   1 ? 
HETATM 1775 O  O   . HOH D 4 .   ? 5.770   10.579  -1.176  1.000 10.139 0 536 HOH A O   1 ? 
HETATM 1776 O  O   . HOH D 4 .   ? 6.750   9.175   24.750  1.000 27.369 0 537 HOH A O   1 ? 
HETATM 1777 O  O   . HOH D 4 .   ? -1.937  5.775   31.626  1.000 36.860 0 538 HOH A O   1 ? 
HETATM 1778 O  O   . HOH D 4 .   ? -1.572  -6.299  14.739  1.000 24.541 0 539 HOH A O   1 ? 
HETATM 1779 O  O   . HOH D 4 .   ? -17.434 20.321  9.125   1.000 13.827 0 540 HOH A O   1 ? 
HETATM 1780 O  O   . HOH D 4 .   ? -17.169 18.148  5.695   1.000 16.575 0 541 HOH A O   1 ? 
HETATM 1781 O  O   . HOH D 4 .   ? 2.224   -11.614 -2.860  1.000 41.285 0 542 HOH A O   1 ? 
HETATM 1782 O  O   . HOH D 4 .   ? 12.209  -4.198  11.954  1.000 21.073 0 543 HOH A O   1 ? 
HETATM 1783 O  O   . HOH D 4 .   ? 0.729   -4.486  10.776  1.000 14.872 0 544 HOH A O   1 ? 
HETATM 1784 O  O   . HOH D 4 .   ? -16.254 2.150   -4.022  1.000 28.517 0 545 HOH A O   1 ? 
HETATM 1785 O  O   . HOH D 4 .   ? -6.540  15.411  -4.696  1.000 28.724 0 546 HOH A O   1 ? 
HETATM 1786 O  O   . HOH D 4 .   ? -18.026 3.072   18.527  1.000 23.315 0 547 HOH A O   1 ? 
HETATM 1787 O  O   . HOH D 4 .   ? 10.139  12.073  -2.954  1.000 18.601 0 548 HOH A O   1 ? 
HETATM 1788 O  O   . HOH D 4 .   ? -20.344 6.410   16.215  1.000 43.051 0 549 HOH A O   1 ? 
HETATM 1789 O  O   . HOH D 4 .   ? -17.836 22.193  14.643  1.000 20.411 0 550 HOH A O   1 ? 
HETATM 1790 O  O   . HOH D 4 .   ? -3.730  8.036   -11.400 1.000 20.579 0 551 HOH A O   1 ? 
HETATM 1791 O  O   . HOH D 4 .   ? -6.586  -8.445  9.723   1.000 37.656 0 552 HOH A O   1 ? 
HETATM 1792 O  O   . HOH D 4 .   ? 8.915   13.576  -0.327  1.000 14.672 0 553 HOH A O   1 ? 
HETATM 1793 O  O   . HOH D 4 .   ? 0.388   15.062  -6.684  1.000 23.777 0 554 HOH A O   1 ? 
HETATM 1794 O  O   . HOH D 4 .   ? 5.588   -1.035  4.507   1.000 13.380 0 555 HOH A O   1 ? 
HETATM 1795 O  O   . HOH D 4 .   ? -5.887  -6.431  -7.012  1.000 28.591 0 556 HOH A O   1 ? 
HETATM 1796 O  O   . HOH D 4 .   ? -10.388 5.604   31.876  1.000 24.170 0 557 HOH A O   1 ? 
HETATM 1797 O  O   . HOH D 4 .   ? 4.200   0.831   2.521   1.000 11.619 0 558 HOH A O   1 ? 
HETATM 1798 O  O   . HOH D 4 .   ? -10.535 -4.393  -2.102  1.000 24.870 0 559 HOH A O   1 ? 
HETATM 1799 O  O   . HOH D 4 .   ? -17.292 18.886  17.077  1.000 16.917 0 560 HOH A O   1 ? 
HETATM 1800 O  O   . HOH D 4 .   ? 9.505   15.983  27.896  1.000 28.628 0 561 HOH A O   1 ? 
HETATM 1801 O  O   . HOH D 4 .   ? 15.794  6.875   6.430   1.000 31.555 0 562 HOH A O   1 ? 
HETATM 1802 O  O   . HOH D 4 .   ? 14.079  -2.891  4.706   1.000 21.294 0 563 HOH A O   1 ? 
HETATM 1803 O  O   . HOH D 4 .   ? 2.692   3.706   -10.484 1.000 22.121 0 564 HOH A O   1 ? 
HETATM 1804 O  O   . HOH D 4 .   ? -14.368 -7.197  17.636  1.000 43.257 0 565 HOH A O   1 ? 
HETATM 1805 O  O   . HOH D 4 .   ? -3.025  20.743  27.418  1.000 26.513 0 566 HOH A O   1 ? 
HETATM 1806 O  O   . HOH D 4 .   ? 4.507   11.377  23.729  1.000 14.490 0 567 HOH A O   1 ? 
HETATM 1807 O  O   . HOH D 4 .   ? -9.603  0.349   -11.676 1.000 27.161 0 568 HOH A O   1 ? 
HETATM 1808 O  O   . HOH D 4 .   ? -5.430  22.499  -1.283  1.000 25.645 0 569 HOH A O   1 ? 
HETATM 1809 O  O   . HOH D 4 .   ? 15.311  10.739  10.325  1.000 30.210 0 570 HOH A O   1 ? 
HETATM 1810 O  O   . HOH D 4 .   ? -12.940 29.226  13.416  1.000 22.759 0 571 HOH A O   1 ? 
HETATM 1811 O  O   . HOH D 4 .   ? 14.931  6.366   -7.829  1.000 11.800 0 572 HOH A O   1 ? 
HETATM 1812 O  O   . HOH D 4 .   ? -13.458 22.425  10.229  1.000 12.634 0 573 HOH A O   1 ? 
HETATM 1813 O  O   . HOH D 4 .   ? 10.050  11.080  32.054  1.000 33.337 0 574 HOH A O   1 ? 
HETATM 1814 O  O   . HOH D 4 .   ? -19.302 12.868  17.713  1.000 24.045 0 575 HOH A O   1 ? 
HETATM 1815 O  O   . HOH D 4 .   ? -0.905  11.323  17.150  1.000 12.303 0 576 HOH A O   1 ? 
HETATM 1816 O  O   . HOH D 4 .   ? -12.410 6.651   -11.306 1.000 31.068 0 577 HOH A O   1 ? 
HETATM 1817 O  O   . HOH D 4 .   ? -19.510 2.960   13.220  1.000 24.349 0 578 HOH A O   1 ? 
HETATM 1818 O  O   . HOH D 4 .   ? 14.306  13.268  4.217   1.000 17.414 0 579 HOH A O   1 ? 
HETATM 1819 O  O   . HOH D 4 .   ? 7.341   19.709  26.929  1.000 36.805 0 580 HOH A O   1 ? 
HETATM 1820 O  O   . HOH D 4 .   ? -3.289  3.695   30.580  1.000 24.821 0 581 HOH A O   1 ? 
HETATM 1821 O  O   . HOH D 4 .   ? -1.899  14.710  34.076  1.000 47.825 0 582 HOH A O   1 ? 
HETATM 1822 O  O   . HOH D 4 .   ? 1.104   20.702  -5.031  1.000 37.263 0 583 HOH A O   1 ? 
HETATM 1823 O  O   . HOH D 4 .   ? 16.681  2.781   1.026   1.000 24.386 0 584 HOH A O   1 ? 
HETATM 1824 O  O   . HOH D 4 .   ? -12.645 -4.057  6.565   1.000 29.825 0 585 HOH A O   1 ? 
HETATM 1825 O  O   . HOH D 4 .   ? -11.876 -7.087  6.635   1.000 34.052 0 586 HOH A O   1 ? 
HETATM 1826 O  O   . HOH D 4 .   ? 19.883  13.322  10.460  1.000 44.711 0 587 HOH A O   1 ? 
HETATM 1827 O  O   . HOH D 4 .   ? -22.342 17.668  10.090  1.000 22.665 0 588 HOH A O   1 ? 
HETATM 1828 O  O   . HOH D 4 .   ? 5.920   -3.240  -9.645  1.000 37.422 0 589 HOH A O   1 ? 
HETATM 1829 O  O   . HOH D 4 .   ? -19.188 15.438  16.242  1.000 18.463 0 590 HOH A O   1 ? 
HETATM 1830 O  O   . HOH D 4 .   ? 15.918  0.556   13.362  1.000 19.933 0 591 HOH A O   1 ? 
HETATM 1831 O  O   . HOH D 4 .   ? -11.445 5.773   24.268  1.000 28.772 0 592 HOH A O   1 ? 
HETATM 1832 O  O   . HOH D 4 .   ? -10.660 2.073   19.956  1.000 18.988 0 593 HOH A O   1 ? 
HETATM 1833 O  O   . HOH D 4 .   ? -20.013 6.338   11.699  1.000 13.947 0 594 HOH A O   1 ? 
HETATM 1834 O  O   . HOH D 4 .   ? -10.272 3.721   29.207  1.000 26.956 0 595 HOH A O   1 ? 
HETATM 1835 O  O   . HOH D 4 .   ? 5.763   -7.782  15.090  1.000 17.664 0 596 HOH A O   1 ? 
HETATM 1836 O  O   . HOH D 4 .   ? 1.526   23.142  22.969  1.000 36.186 0 597 HOH A O   1 ? 
HETATM 1837 O  O   . HOH D 4 .   ? -3.948  21.441  8.531   1.000 38.975 0 598 HOH A O   1 ? 
HETATM 1838 O  O   . HOH D 4 .   ? -2.406  20.714  23.716  1.000 27.732 0 599 HOH A O   1 ? 
HETATM 1839 O  O   . HOH D 4 .   ? -5.324  10.156  35.245  1.000 34.877 0 600 HOH A O   1 ? 
HETATM 1840 O  O   . HOH D 4 .   ? -6.048  22.756  12.016  1.000 22.293 0 601 HOH A O   1 ? 
HETATM 1841 O  O   . HOH D 4 .   ? 12.399  -4.157  -7.882  1.000 43.554 0 602 HOH A O   1 ? 
HETATM 1842 O  O   . HOH D 4 .   ? -5.312  -6.895  0.520   1.000 16.555 0 603 HOH A O   1 ? 
HETATM 1843 O  O   . HOH D 4 .   ? 8.112   13.823  -4.032  1.000 14.259 0 604 HOH A O   1 ? 
HETATM 1844 O  O   . HOH D 4 .   ? 5.783   -1.255  26.240  1.000 30.293 0 605 HOH A O   1 ? 
HETATM 1845 O  O   . HOH D 4 .   ? -11.302 12.792  16.179  1.000 9.788  0 606 HOH A O   1 ? 
HETATM 1846 O  O   . HOH D 4 .   ? -6.829  19.326  19.509  1.000 21.795 0 607 HOH A O   1 ? 
HETATM 1847 O  O   . HOH D 4 .   ? -2.059  -10.515 -3.171  1.000 42.628 0 608 HOH A O   1 ? 
HETATM 1848 O  O   . HOH D 4 .   ? -17.137 13.954  23.479  1.000 26.163 0 609 HOH A O   1 ? 
HETATM 1849 O  O   . HOH D 4 .   ? 15.020  4.166   14.376  1.000 33.570 0 610 HOH A O   1 ? 
HETATM 1850 O  O   . HOH D 4 .   ? -15.637 2.769   23.641  1.000 25.014 0 611 HOH A O   1 ? 
HETATM 1851 O  O   . HOH D 4 .   ? -12.293 -5.427  15.844  1.000 26.929 0 612 HOH A O   1 ? 
HETATM 1852 O  O   . HOH D 4 .   ? 10.822  -6.634  -4.399  1.000 38.863 0 613 HOH A O   1 ? 
HETATM 1853 O  O   . HOH D 4 .   ? -10.861 -5.270  20.910  1.000 25.296 0 614 HOH A O   1 ? 
HETATM 1854 O  O   . HOH D 4 .   ? -9.658  3.226   22.708  1.000 31.810 0 615 HOH A O   1 ? 
HETATM 1855 O  O   . HOH D 4 .   ? 1.179   20.123  17.279  1.000 32.291 0 616 HOH A O   1 ? 
HETATM 1856 O  O   . HOH D 4 .   ? -10.296 1.859   27.136  1.000 28.517 0 617 HOH A O   1 ? 
HETATM 1857 O  O   . HOH D 4 .   ? -22.153 15.307  14.494  1.000 42.940 0 618 HOH A O   1 ? 
HETATM 1858 O  O   . HOH D 4 .   ? 12.612  16.767  24.041  1.000 34.977 0 619 HOH A O   1 ? 
HETATM 1859 O  O   . HOH D 4 .   ? -8.956  11.386  -14.733 1.000 46.179 0 620 HOH A O   1 ? 
HETATM 1860 O  O   . HOH D 4 .   ? -7.505  -7.340  5.399   1.000 26.267 0 621 HOH A O   1 ? 
HETATM 1861 O  O   . HOH D 4 .   ? 3.804   9.510   -11.232 1.000 41.735 0 622 HOH A O   1 ? 
HETATM 1862 O  O   . HOH D 4 .   ? -3.415  21.164  -6.268  1.000 49.529 0 623 HOH A O   1 ? 
HETATM 1863 O  O   . HOH D 4 .   ? 6.459   -3.901  22.163  1.000 20.711 0 624 HOH A O   1 ? 
HETATM 1864 O  O   . HOH D 4 .   ? -4.035  -6.075  -11.761 1.000 40.424 0 625 HOH A O   1 ? 
HETATM 1865 O  O   . HOH D 4 .   ? -13.392 18.296  24.320  1.000 24.478 0 626 HOH A O   1 ? 
HETATM 1866 O  O   . HOH D 4 .   ? -20.570 13.364  -6.283  1.000 39.598 0 627 HOH A O   1 ? 
HETATM 1867 O  O   . HOH D 4 .   ? 2.411   -9.576  -6.825  1.000 44.087 0 628 HOH A O   1 ? 
HETATM 1868 O  O   . HOH D 4 .   ? -0.074  2.619   -10.657 1.000 35.754 0 629 HOH A O   1 ? 
HETATM 1869 O  O   . HOH D 4 .   ? -6.185  18.720  -8.254  1.000 45.239 0 630 HOH A O   1 ? 
HETATM 1870 O  O   . HOH D 4 .   ? -8.290  23.991  8.557   1.000 43.836 0 631 HOH A O   1 ? 
HETATM 1871 O  O   . HOH D 4 .   ? -17.776 5.227   -10.026 1.000 29.426 0 632 HOH A O   1 ? 
HETATM 1872 O  O   . HOH D 4 .   ? 2.191   17.101  -7.532  1.000 31.460 0 633 HOH A O   1 ? 
HETATM 1873 O  O   . HOH D 4 .   ? -18.743 7.588   20.739  1.000 33.808 0 634 HOH A O   1 ? 
HETATM 1874 O  O   . HOH D 4 .   ? -7.405  16.712  -7.036  1.000 48.035 0 635 HOH A O   1 ? 
HETATM 1875 O  O   . HOH D 4 .   ? -16.214 23.116  18.958  1.000 20.926 0 636 HOH A O   1 ? 
HETATM 1876 O  O   . HOH D 4 .   ? -23.229 0.641   4.190   1.000 32.697 0 637 HOH A O   1 ? 
HETATM 1877 O  O   . HOH D 4 .   ? 9.949   8.401   -6.136  1.000 15.753 0 638 HOH A O   1 ? 
HETATM 1878 O  O   . HOH D 4 .   ? -3.723  9.811   -13.408 1.000 28.370 0 639 HOH A O   1 ? 
HETATM 1879 O  O   . HOH D 4 .   ? 5.555   -5.446  -8.125  1.000 47.573 0 640 HOH A O   1 ? 
HETATM 1880 O  O   . HOH D 4 .   ? -4.572  0.881   -13.304 1.000 31.464 0 641 HOH A O   1 ? 
HETATM 1881 O  O   . HOH D 4 .   ? 3.182   13.475  -9.376  1.000 25.901 0 642 HOH A O   1 ? 
HETATM 1882 O  O   . HOH D 4 .   ? -1.889  -9.637  1.690   1.000 30.843 0 643 HOH A O   1 ? 
HETATM 1883 O  O   . HOH D 4 .   ? -7.584  -4.560  20.242  1.000 28.926 0 644 HOH A O   1 ? 
HETATM 1884 O  O   . HOH D 4 .   ? 0.854   13.603  -10.501 1.000 33.514 0 645 HOH A O   1 ? 
HETATM 1885 O  O   . HOH D 4 .   ? -15.018 18.992  20.273  1.000 19.763 0 646 HOH A O   1 ? 
HETATM 1886 O  O   . HOH D 4 .   ? -18.510 23.893  17.050  1.000 40.126 0 647 HOH A O   1 ? 
HETATM 1887 O  O   . HOH D 4 .   ? 13.171  5.860   23.857  1.000 27.359 0 648 HOH A O   1 ? 
HETATM 1888 O  O   . HOH D 4 .   ? -26.397 5.870   5.680   1.000 37.982 0 649 HOH A O   1 ? 
HETATM 1889 O  O   . HOH D 4 .   ? -14.479 24.303  11.828  1.000 28.323 0 650 HOH A O   1 ? 
HETATM 1890 O  O   . HOH D 4 .   ? -21.010 20.058  11.482  1.000 33.204 0 651 HOH A O   1 ? 
HETATM 1891 O  O   . HOH D 4 .   ? -7.660  -7.821  -0.480  1.000 30.165 0 652 HOH A O   1 ? 
HETATM 1892 O  O   . HOH D 4 .   ? -5.371  3.029   -14.861 1.000 47.673 0 653 HOH A O   1 ? 
HETATM 1893 O  O   . HOH D 4 .   ? -9.923  -5.999  -4.300  1.000 33.413 0 654 HOH A O   1 ? 
HETATM 1894 O  O   . HOH D 4 .   ? -1.405  20.668  21.176  1.000 17.914 0 655 HOH A O   1 ? 
HETATM 1895 O  O   . HOH D 4 .   ? -11.636 -5.323  1.926   1.000 37.515 0 656 HOH A O   1 ? 
HETATM 1896 O  O   . HOH D 4 .   ? -24.929 4.381   7.097   1.000 47.849 0 657 HOH A O   1 ? 
HETATM 1897 O  O   . HOH D 4 .   ? -17.466 23.537  12.458  1.000 29.654 0 658 HOH A O   1 ? 
HETATM 1898 O  O   . HOH D 4 .   ? 15.179  8.821   19.668  1.000 31.630 0 659 HOH A O   1 ? 
HETATM 1899 O  O   . HOH D 4 .   ? -8.490  -8.583  2.821   1.000 33.753 0 660 HOH A O   1 ? 
HETATM 1900 O  O   . HOH D 4 .   ? -17.328 12.611  25.621  1.000 37.483 0 661 HOH A O   1 ? 
HETATM 1901 O  O   . HOH D 4 .   ? 1.223   -5.164  -8.590  1.000 38.329 0 662 HOH A O   1 ? 
HETATM 1902 O  O   . HOH D 4 .   ? -5.017  21.354  10.197  1.000 44.236 0 663 HOH A O   1 ? 
HETATM 1903 O  O   . HOH D 4 .   ? 13.492  -1.280  -9.839  1.000 50.957 0 664 HOH A O   1 ? 
HETATM 1904 O  O   . HOH D 4 .   ? 3.525   -3.012  -8.441  1.000 39.958 0 665 HOH A O   1 ? 
HETATM 1905 O  O   . HOH D 4 .   ? -21.000 19.349  14.188  1.000 22.944 0 666 HOH A O   1 ? 
HETATM 1906 O  O   . HOH D 4 .   ? -5.129  -7.004  -9.747  1.000 39.431 0 667 HOH A O   1 ? 
HETATM 1907 O  O   . HOH D 4 .   ? -18.852 21.656  10.817  1.000 27.600 0 668 HOH A O   1 ? 
HETATM 1908 O  O   . HOH D 4 .   ? -12.858 19.607  22.082  1.000 20.322 0 669 HOH A O   1 ? 
HETATM 1909 O  O   . HOH D 4 .   ? 6.145   -4.120  25.175  1.000 36.583 0 670 HOH A O   1 ? 
HETATM 1910 O  O   . HOH D 4 .   ? -20.053 5.382   19.944  1.000 39.631 0 671 HOH A O   1 ? 
HETATM 1911 O  O   . HOH D 4 .   ? 12.822  -2.394  -1.320  1.000 24.041 0 672 HOH A O   1 ? 
HETATM 1912 O  O   . HOH D 4 .   ? 16.172  8.345   10.730  1.000 38.049 0 673 HOH A O   1 ? 
HETATM 1913 O  O   . HOH D 4 .   ? 9.771   -2.643  -11.633 1.000 40.906 0 674 HOH A O   1 ? 
HETATM 1914 O  O   . HOH D 4 .   ? -1.857  18.409  -8.733  1.000 38.334 0 675 HOH A O   1 ? 
HETATM 1915 O  O   . HOH D 4 .   ? 0.183   11.951  -12.529 1.000 36.264 0 676 HOH A O   1 ? 
HETATM 1916 O  O   . HOH D 4 .   ? -12.460 6.564   32.813  1.000 36.667 0 677 HOH A O   1 ? 
HETATM 1917 O  O   . HOH D 4 .   ? -6.664  -4.562  -10.260 1.000 42.205 0 678 HOH A O   1 ? 
HETATM 1918 O  O   . HOH D 4 .   ? -4.931  1.706   31.986  1.000 25.087 0 679 HOH A O   1 ? 
HETATM 1919 O  O   . HOH D 4 .   ? 4.921   -5.606  13.802  1.000 22.626 0 680 HOH A O   1 ? 
HETATM 1920 O  O   . HOH D 4 .   ? 16.130  -1.962  12.661  1.000 35.145 0 681 HOH A O   1 ? 
HETATM 1921 O  O   . HOH D 4 .   ? 3.062   -8.328  16.037  1.000 26.934 0 682 HOH A O   1 ? 
HETATM 1922 O  O   . HOH D 4 .   ? -9.475  23.703  -4.987  1.000 36.718 0 683 HOH A O   1 ? 
HETATM 1923 O  O   . HOH D 4 .   ? -17.224 18.037  21.658  1.000 26.692 0 684 HOH A O   1 ? 
HETATM 1924 O  O   . HOH D 4 .   ? 14.639  6.885   14.782  1.000 23.940 0 685 HOH A O   1 ? 
HETATM 1925 O  O   . HOH D 4 .   ? 2.611   -5.285  19.382  1.000 31.471 0 686 HOH A O   1 ? 
HETATM 1926 O  O   . HOH D 4 .   ? 14.482  -3.884  13.836  1.000 21.917 0 687 HOH A O   1 ? 
HETATM 1927 O  O   . HOH D 4 .   ? -19.688 -1.453  -0.722  1.000 31.144 0 688 HOH A O   1 ? 
HETATM 1928 O  O   . HOH D 4 .   ? -21.908 9.664   10.217  1.000 30.515 0 689 HOH A O   1 ? 
HETATM 1929 O  O   . HOH D 4 .   ? 16.337  -1.393  1.749   1.000 45.522 0 690 HOH A O   1 ? 
HETATM 1930 O  O   . HOH D 4 .   ? 0.473   21.408  14.946  1.000 32.130 0 691 HOH A O   1 ? 
HETATM 1931 O  O   . HOH D 4 .   ? 12.133  8.276   31.790  1.000 45.440 0 692 HOH A O   1 ? 
HETATM 1932 O  O   . HOH D 4 .   ? 0.331   -1.078  28.686  1.000 34.439 0 693 HOH A O   1 ? 
HETATM 1933 O  O   . HOH D 4 .   ? -11.581 10.855  33.312  1.000 37.515 0 694 HOH A O   1 ? 
HETATM 1934 O  O   . HOH D 4 .   ? -19.541 19.192  18.551  1.000 32.602 0 695 HOH A O   1 ? 
HETATM 1935 O  O   . HOH D 4 .   ? -9.089  21.397  22.006  1.000 23.351 0 696 HOH A O   1 ? 
HETATM 1936 O  O   . HOH D 4 .   ? -16.121 16.847  24.216  1.000 35.675 0 697 HOH A O   1 ? 
HETATM 1937 O  O   . HOH D 4 .   ? 15.734  3.842   20.282  1.000 43.943 0 698 HOH A O   1 ? 
HETATM 1938 O  O   . HOH D 4 .   ? 2.544   -5.366  15.417  1.000 20.228 0 699 HOH A O   1 ? 
HETATM 1939 O  O   . HOH D 4 .   ? -16.813 7.544   24.874  1.000 31.929 0 700 HOH A O   1 ? 
HETATM 1940 O  O   . HOH D 4 .   ? -12.720 4.134   29.252  1.000 36.179 0 701 HOH A O   1 ? 
HETATM 1941 O  O   . HOH D 4 .   ? 17.302  1.140   -4.677  1.000 33.295 0 702 HOH A O   1 ? 
HETATM 1942 O  O   . HOH D 4 .   ? 15.411  -3.405  7.184   1.000 31.830 0 703 HOH A O   1 ? 
HETATM 1943 O  O   . HOH D 4 .   ? 3.724   19.869  29.254  1.000 28.870 0 704 HOH A O   1 ? 
HETATM 1944 O  O   . HOH D 4 .   ? 9.992   16.629  30.535  1.000 46.215 0 705 HOH A O   1 ? 
HETATM 1945 O  O   . HOH D 4 .   ? 4.002   5.773   -11.709 1.000 52.206 0 706 HOH A O   1 ? 
HETATM 1946 O  O   . HOH D 4 .   ? 0.506   1.553   29.002  1.000 20.942 0 707 HOH A O   1 ? 
HETATM 1947 O  O   . HOH D 4 .   ? 16.465  0.666   5.430   1.000 15.735 0 708 HOH A O   1 ? 
HETATM 1948 O  O   . HOH D 4 .   ? 6.203   -0.881  -11.900 1.000 45.022 0 709 HOH A O   1 ? 
HETATM 1949 O  O   . HOH D 4 .   ? -14.138 4.781   31.341  1.000 35.305 0 710 HOH A O   1 ? 
HETATM 1950 O  O   . HOH D 4 .   ? 4.078   1.503   29.051  1.000 29.429 0 711 HOH A O   1 ? 
HETATM 1951 O  O   . HOH D 4 .   ? 16.141  6.327   19.787  1.000 48.037 0 712 HOH A O   1 ? 
HETATM 1952 O  O   . HOH D 4 .   ? 0.615   -5.686  13.160  1.000 22.773 0 713 HOH A O   1 ? 
HETATM 1953 O  O   . HOH D 4 .   ? -3.536  2.369   34.355  1.000 44.929 0 714 HOH A O   1 ? 
HETATM 1954 O  O   . HOH D 4 .   ? -16.388 19.900  25.724  1.000 54.896 0 715 HOH A O   1 ? 
HETATM 1955 O  O   . HOH D 4 .   ? 0.718   4.895   31.818  1.000 26.226 0 716 HOH A O   1 ? 
HETATM 1956 O  O   . HOH D 4 .   ? 2.696   5.915   34.109  1.000 39.647 0 717 HOH A O   1 ? 
HETATM 1957 O  O   . HOH D 4 .   ? 8.450   -0.734  -13.010 1.000 40.043 0 718 HOH A O   1 ? 
HETATM 1958 O  O   . HOH D 4 .   ? -16.772 22.344  21.388  1.000 34.099 0 719 HOH A O   1 ? 
HETATM 1959 O  O   . HOH D 4 .   ? 4.433   1.617   -13.801 1.000 50.921 0 720 HOH A O   1 ? 
HETATM 1960 O  O   . HOH D 4 .   ? 1.304   8.807   -14.922 1.000 48.524 0 721 HOH A O   1 ? 
HETATM 1961 O  O   . HOH D 4 .   ? 17.253  8.151   21.344  1.000 59.803 0 722 HOH A O   1 ? 
HETATM 1962 O  O   . HOH D 4 .   ? 0.918   2.244   31.877  1.000 29.975 0 723 HOH A O   1 ? 
# 
