data_9AW2
# 
_entry.id   9AW2 
# 
_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   9AW2         pdb_00009aw2 10.2210/pdb9aw2/pdb 
WWPDB D_1000282138 ?            ?                   
# 
_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                        9AW2 
_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 125 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    315 ?        ? ? ? 
# 
_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   401 137 HOH HOH A . 
D 4 HOH 2   402 106 HOH HOH A . 
D 4 HOH 3   403 211 HOH HOH A . 
D 4 HOH 4   404 187 HOH HOH A . 
D 4 HOH 5   405 7   HOH HOH A . 
D 4 HOH 6   406 254 HOH HOH A . 
D 4 HOH 7   407 203 HOH HOH A . 
D 4 HOH 8   408 220 HOH HOH A . 
D 4 HOH 9   409 212 HOH HOH A . 
D 4 HOH 10  410 36  HOH HOH A . 
D 4 HOH 11  411 200 HOH HOH A . 
D 4 HOH 12  412 217 HOH HOH A . 
D 4 HOH 13  413 209 HOH HOH A . 
D 4 HOH 14  414 108 HOH HOH A . 
D 4 HOH 15  415 308 HOH HOH A . 
D 4 HOH 16  416 264 HOH HOH A . 
D 4 HOH 17  417 5   HOH HOH A . 
D 4 HOH 18  418 154 HOH HOH A . 
D 4 HOH 19  419 128 HOH HOH A . 
D 4 HOH 20  420 152 HOH HOH A . 
D 4 HOH 21  421 293 HOH HOH A . 
D 4 HOH 22  422 3   HOH HOH A . 
D 4 HOH 23  423 35  HOH HOH A . 
D 4 HOH 24  424 107 HOH HOH A . 
D 4 HOH 25  425 81  HOH HOH A . 
D 4 HOH 26  426 18  HOH HOH A . 
D 4 HOH 27  427 130 HOH HOH A . 
D 4 HOH 28  428 57  HOH HOH A . 
D 4 HOH 29  429 135 HOH HOH A . 
D 4 HOH 30  430 236 HOH HOH A . 
D 4 HOH 31  431 125 HOH HOH A . 
D 4 HOH 32  432 260 HOH HOH A . 
D 4 HOH 33  433 205 HOH HOH A . 
D 4 HOH 34  434 145 HOH HOH A . 
D 4 HOH 35  435 219 HOH HOH A . 
D 4 HOH 36  436 1   HOH HOH A . 
D 4 HOH 37  437 122 HOH HOH A . 
D 4 HOH 38  438 37  HOH HOH A . 
D 4 HOH 39  439 59  HOH HOH A . 
D 4 HOH 40  440 151 HOH HOH A . 
D 4 HOH 41  441 91  HOH HOH A . 
D 4 HOH 42  442 49  HOH HOH A . 
D 4 HOH 43  443 248 HOH HOH A . 
D 4 HOH 44  444 47  HOH HOH A . 
D 4 HOH 45  445 48  HOH HOH A . 
D 4 HOH 46  446 72  HOH HOH A . 
D 4 HOH 47  447 34  HOH HOH A . 
D 4 HOH 48  448 73  HOH HOH A . 
D 4 HOH 49  449 24  HOH HOH A . 
D 4 HOH 50  450 191 HOH HOH A . 
D 4 HOH 51  451 314 HOH HOH A . 
D 4 HOH 52  452 58  HOH HOH A . 
D 4 HOH 53  453 80  HOH HOH A . 
D 4 HOH 54  454 68  HOH HOH A . 
D 4 HOH 55  455 262 HOH HOH A . 
D 4 HOH 56  456 156 HOH HOH A . 
D 4 HOH 57  457 155 HOH HOH A . 
D 4 HOH 58  458 144 HOH HOH A . 
D 4 HOH 59  459 270 HOH HOH A . 
D 4 HOH 60  460 98  HOH HOH A . 
D 4 HOH 61  461 76  HOH HOH A . 
D 4 HOH 62  462 273 HOH HOH A . 
D 4 HOH 63  463 17  HOH HOH A . 
D 4 HOH 64  464 165 HOH HOH A . 
D 4 HOH 65  465 208 HOH HOH A . 
D 4 HOH 66  466 102 HOH HOH A . 
D 4 HOH 67  467 10  HOH HOH A . 
D 4 HOH 68  468 312 HOH HOH A . 
D 4 HOH 69  469 132 HOH HOH A . 
D 4 HOH 70  470 61  HOH HOH A . 
D 4 HOH 71  471 55  HOH HOH A . 
D 4 HOH 72  472 232 HOH HOH A . 
D 4 HOH 73  473 175 HOH HOH A . 
D 4 HOH 74  474 280 HOH HOH A . 
D 4 HOH 75  475 161 HOH HOH A . 
D 4 HOH 76  476 82  HOH HOH A . 
D 4 HOH 77  477 124 HOH HOH A . 
D 4 HOH 78  478 15  HOH HOH A . 
D 4 HOH 79  479 11  HOH HOH A . 
D 4 HOH 80  480 16  HOH HOH A . 
D 4 HOH 81  481 113 HOH HOH A . 
D 4 HOH 82  482 8   HOH HOH A . 
D 4 HOH 83  483 174 HOH HOH A . 
D 4 HOH 84  484 143 HOH HOH A . 
D 4 HOH 85  485 104 HOH HOH A . 
D 4 HOH 86  486 215 HOH HOH A . 
D 4 HOH 87  487 141 HOH HOH A . 
D 4 HOH 88  488 193 HOH HOH A . 
D 4 HOH 89  489 173 HOH HOH A . 
D 4 HOH 90  490 4   HOH HOH A . 
D 4 HOH 91  491 190 HOH HOH A . 
D 4 HOH 92  492 147 HOH HOH A . 
D 4 HOH 93  493 251 HOH HOH A . 
D 4 HOH 94  494 44  HOH HOH A . 
D 4 HOH 95  495 45  HOH HOH A . 
D 4 HOH 96  496 93  HOH HOH A . 
D 4 HOH 97  497 26  HOH HOH A . 
D 4 HOH 98  498 78  HOH HOH A . 
D 4 HOH 99  499 63  HOH HOH A . 
D 4 HOH 100 500 46  HOH HOH A . 
D 4 HOH 101 501 201 HOH HOH A . 
D 4 HOH 102 502 79  HOH HOH A . 
D 4 HOH 103 503 119 HOH HOH A . 
D 4 HOH 104 504 21  HOH HOH A . 
D 4 HOH 105 505 110 HOH HOH A . 
D 4 HOH 106 506 138 HOH HOH A . 
D 4 HOH 107 507 126 HOH HOH A . 
D 4 HOH 108 508 117 HOH HOH A . 
D 4 HOH 109 509 13  HOH HOH A . 
D 4 HOH 110 510 60  HOH HOH A . 
D 4 HOH 111 511 2   HOH HOH A . 
D 4 HOH 112 512 274 HOH HOH A . 
D 4 HOH 113 513 265 HOH HOH A . 
D 4 HOH 114 514 159 HOH HOH A . 
D 4 HOH 115 515 214 HOH HOH A . 
D 4 HOH 116 516 39  HOH HOH A . 
D 4 HOH 117 517 176 HOH HOH A . 
D 4 HOH 118 518 30  HOH HOH A . 
D 4 HOH 119 519 53  HOH HOH A . 
D 4 HOH 120 520 100 HOH HOH A . 
D 4 HOH 121 521 116 HOH HOH A . 
D 4 HOH 122 522 285 HOH HOH A . 
D 4 HOH 123 523 184 HOH HOH A . 
D 4 HOH 124 524 64  HOH HOH A . 
D 4 HOH 125 525 182 HOH HOH A . 
D 4 HOH 126 526 19  HOH HOH A . 
D 4 HOH 127 527 29  HOH HOH A . 
D 4 HOH 128 528 54  HOH HOH A . 
D 4 HOH 129 529 90  HOH HOH A . 
D 4 HOH 130 530 65  HOH HOH A . 
D 4 HOH 131 531 105 HOH HOH A . 
D 4 HOH 132 532 249 HOH HOH A . 
D 4 HOH 133 533 228 HOH HOH A . 
D 4 HOH 134 534 31  HOH HOH A . 
D 4 HOH 135 535 250 HOH HOH A . 
D 4 HOH 136 536 195 HOH HOH A . 
D 4 HOH 137 537 118 HOH HOH A . 
D 4 HOH 138 538 178 HOH HOH A . 
D 4 HOH 139 539 115 HOH HOH A . 
D 4 HOH 140 540 71  HOH HOH A . 
D 4 HOH 141 541 99  HOH HOH A . 
D 4 HOH 142 542 114 HOH HOH A . 
D 4 HOH 143 543 169 HOH HOH A . 
D 4 HOH 144 544 96  HOH HOH A . 
D 4 HOH 145 545 77  HOH HOH A . 
D 4 HOH 146 546 194 HOH HOH A . 
D 4 HOH 147 547 153 HOH HOH A . 
D 4 HOH 148 548 221 HOH HOH A . 
D 4 HOH 149 549 121 HOH HOH A . 
D 4 HOH 150 550 23  HOH HOH A . 
D 4 HOH 151 551 224 HOH HOH A . 
D 4 HOH 152 552 89  HOH HOH A . 
D 4 HOH 153 553 22  HOH HOH A . 
D 4 HOH 154 554 148 HOH HOH A . 
D 4 HOH 155 555 38  HOH HOH A . 
D 4 HOH 156 556 95  HOH HOH A . 
D 4 HOH 157 557 43  HOH HOH A . 
D 4 HOH 158 558 40  HOH HOH A . 
D 4 HOH 159 559 134 HOH HOH A . 
D 4 HOH 160 560 94  HOH HOH A . 
D 4 HOH 161 561 20  HOH HOH A . 
D 4 HOH 162 562 192 HOH HOH A . 
D 4 HOH 163 563 112 HOH HOH A . 
D 4 HOH 164 564 42  HOH HOH A . 
D 4 HOH 165 565 88  HOH HOH A . 
D 4 HOH 166 566 27  HOH HOH A . 
D 4 HOH 167 567 244 HOH HOH A . 
D 4 HOH 168 568 163 HOH HOH A . 
D 4 HOH 169 569 177 HOH HOH A . 
D 4 HOH 170 570 92  HOH HOH A . 
D 4 HOH 171 571 12  HOH HOH A . 
D 4 HOH 172 572 41  HOH HOH A . 
D 4 HOH 173 573 196 HOH HOH A . 
D 4 HOH 174 574 164 HOH HOH A . 
D 4 HOH 175 575 223 HOH HOH A . 
D 4 HOH 176 576 131 HOH HOH A . 
D 4 HOH 177 577 146 HOH HOH A . 
D 4 HOH 178 578 32  HOH HOH A . 
D 4 HOH 179 579 62  HOH HOH A . 
D 4 HOH 180 580 51  HOH HOH A . 
D 4 HOH 181 581 28  HOH HOH A . 
D 4 HOH 182 582 111 HOH HOH A . 
D 4 HOH 183 583 56  HOH HOH A . 
D 4 HOH 184 584 311 HOH HOH A . 
D 4 HOH 185 585 52  HOH HOH A . 
D 4 HOH 186 586 166 HOH HOH A . 
D 4 HOH 187 587 139 HOH HOH A . 
D 4 HOH 188 588 9   HOH HOH A . 
D 4 HOH 189 589 86  HOH HOH A . 
D 4 HOH 190 590 6   HOH HOH A . 
D 4 HOH 191 591 142 HOH HOH A . 
D 4 HOH 192 592 87  HOH HOH A . 
D 4 HOH 193 593 33  HOH HOH A . 
D 4 HOH 194 594 140 HOH HOH A . 
D 4 HOH 195 595 14  HOH HOH A . 
D 4 HOH 196 596 75  HOH HOH A . 
D 4 HOH 197 597 199 HOH HOH A . 
D 4 HOH 198 598 227 HOH HOH A . 
D 4 HOH 199 599 239 HOH HOH A . 
D 4 HOH 200 600 136 HOH HOH A . 
D 4 HOH 201 601 183 HOH HOH A . 
D 4 HOH 202 602 246 HOH HOH A . 
D 4 HOH 203 603 234 HOH HOH A . 
D 4 HOH 204 604 120 HOH HOH A . 
D 4 HOH 205 605 157 HOH HOH A . 
D 4 HOH 206 606 83  HOH HOH A . 
D 4 HOH 207 607 288 HOH HOH A . 
D 4 HOH 208 608 97  HOH HOH A . 
D 4 HOH 209 609 25  HOH HOH A . 
D 4 HOH 210 610 279 HOH HOH A . 
D 4 HOH 211 611 167 HOH HOH A . 
D 4 HOH 212 612 149 HOH HOH A . 
D 4 HOH 213 613 256 HOH HOH A . 
D 4 HOH 214 614 101 HOH HOH A . 
D 4 HOH 215 615 241 HOH HOH A . 
D 4 HOH 216 616 197 HOH HOH A . 
D 4 HOH 217 617 276 HOH HOH A . 
D 4 HOH 218 618 302 HOH HOH A . 
D 4 HOH 219 619 188 HOH HOH A . 
D 4 HOH 220 620 301 HOH HOH A . 
D 4 HOH 221 621 133 HOH HOH A . 
D 4 HOH 222 622 296 HOH HOH A . 
D 4 HOH 223 623 263 HOH HOH A . 
D 4 HOH 224 624 171 HOH HOH A . 
D 4 HOH 225 625 284 HOH HOH A . 
D 4 HOH 226 626 252 HOH HOH A . 
D 4 HOH 227 627 162 HOH HOH A . 
D 4 HOH 228 628 245 HOH HOH A . 
D 4 HOH 229 629 179 HOH HOH A . 
D 4 HOH 230 630 213 HOH HOH A . 
D 4 HOH 231 631 253 HOH HOH A . 
D 4 HOH 232 632 277 HOH HOH A . 
D 4 HOH 233 633 168 HOH HOH A . 
D 4 HOH 234 634 297 HOH HOH A . 
D 4 HOH 235 635 103 HOH HOH A . 
D 4 HOH 236 636 306 HOH HOH A . 
D 4 HOH 237 637 69  HOH HOH A . 
D 4 HOH 238 638 261 HOH HOH A . 
D 4 HOH 239 639 295 HOH HOH A . 
D 4 HOH 240 640 218 HOH HOH A . 
D 4 HOH 241 641 202 HOH HOH A . 
D 4 HOH 242 642 189 HOH HOH A . 
D 4 HOH 243 643 286 HOH HOH A . 
D 4 HOH 244 644 242 HOH HOH A . 
D 4 HOH 245 645 235 HOH HOH A . 
D 4 HOH 246 646 292 HOH HOH A . 
D 4 HOH 247 647 266 HOH HOH A . 
D 4 HOH 248 648 290 HOH HOH A . 
D 4 HOH 249 649 185 HOH HOH A . 
D 4 HOH 250 650 275 HOH HOH A . 
D 4 HOH 251 651 207 HOH HOH A . 
D 4 HOH 252 652 240 HOH HOH A . 
D 4 HOH 253 653 282 HOH HOH A . 
D 4 HOH 254 654 186 HOH HOH A . 
D 4 HOH 255 655 258 HOH HOH A . 
D 4 HOH 256 656 243 HOH HOH A . 
D 4 HOH 257 657 259 HOH HOH A . 
D 4 HOH 258 658 278 HOH HOH A . 
D 4 HOH 259 659 294 HOH HOH A . 
D 4 HOH 260 660 123 HOH HOH A . 
D 4 HOH 261 661 229 HOH HOH A . 
D 4 HOH 262 662 281 HOH HOH A . 
D 4 HOH 263 663 310 HOH HOH A . 
D 4 HOH 264 664 129 HOH HOH A . 
D 4 HOH 265 665 313 HOH HOH A . 
D 4 HOH 266 666 237 HOH HOH A . 
D 4 HOH 267 667 299 HOH HOH A . 
D 4 HOH 268 668 67  HOH HOH A . 
D 4 HOH 269 669 304 HOH HOH A . 
D 4 HOH 270 670 287 HOH HOH A . 
D 4 HOH 271 671 231 HOH HOH A . 
D 4 HOH 272 672 198 HOH HOH A . 
D 4 HOH 273 673 181 HOH HOH A . 
D 4 HOH 274 674 268 HOH HOH A . 
D 4 HOH 275 675 283 HOH HOH A . 
D 4 HOH 276 676 150 HOH HOH A . 
D 4 HOH 277 677 70  HOH HOH A . 
D 4 HOH 278 678 267 HOH HOH A . 
D 4 HOH 279 679 222 HOH HOH A . 
D 4 HOH 280 680 289 HOH HOH A . 
D 4 HOH 281 681 204 HOH HOH A . 
D 4 HOH 282 682 74  HOH HOH A . 
D 4 HOH 283 683 210 HOH HOH A . 
D 4 HOH 284 684 170 HOH HOH A . 
D 4 HOH 285 685 109 HOH HOH A . 
D 4 HOH 286 686 127 HOH HOH A . 
D 4 HOH 287 687 291 HOH HOH A . 
D 4 HOH 288 688 160 HOH HOH A . 
D 4 HOH 289 689 172 HOH HOH A . 
D 4 HOH 290 690 247 HOH HOH A . 
D 4 HOH 291 691 180 HOH HOH A . 
D 4 HOH 292 692 307 HOH HOH A . 
D 4 HOH 293 693 206 HOH HOH A . 
D 4 HOH 294 694 50  HOH HOH A . 
D 4 HOH 295 695 216 HOH HOH A . 
D 4 HOH 296 696 257 HOH HOH A . 
D 4 HOH 297 697 66  HOH HOH A . 
D 4 HOH 298 698 85  HOH HOH A . 
D 4 HOH 299 699 226 HOH HOH A . 
D 4 HOH 300 700 300 HOH HOH A . 
D 4 HOH 301 701 315 HOH HOH A . 
D 4 HOH 302 702 255 HOH HOH A . 
D 4 HOH 303 703 233 HOH HOH A . 
D 4 HOH 304 704 84  HOH HOH A . 
D 4 HOH 305 705 303 HOH HOH A . 
D 4 HOH 306 706 225 HOH HOH A . 
D 4 HOH 307 707 309 HOH HOH A . 
D 4 HOH 308 708 305 HOH HOH A . 
D 4 HOH 309 709 271 HOH HOH A . 
D 4 HOH 310 710 269 HOH HOH A . 
D 4 HOH 311 711 238 HOH HOH A . 
D 4 HOH 312 712 272 HOH HOH A . 
D 4 HOH 313 713 158 HOH HOH A . 
D 4 HOH 314 714 298 HOH HOH A . 
D 4 HOH 315 715 230 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                     9AW2 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     54.282 
_cell.length_a_esd                 ? 
_cell.length_b                     58.206 
_cell.length_b_esd                 ? 
_cell.length_c                     66.462 
_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                         9AW2 
_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                   9AW2 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.25 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          45.35 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     125 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     CMOS 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'BRUKER PHOTON 100' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-11-02 
_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                                       9AW2 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.498 
_reflns.d_resolution_low                               23.940 
_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                                     34191 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           98.94 
_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                          15.39 
_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                                   0.837 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.5 
_reflns_shell.d_res_low                                     23.93 
_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                             1705 
_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                                  0.837 
_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]                            -0.022 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.054 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            0.075 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               10.235 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.956 
_refine.correlation_coeff_Fo_to_Fc_free          0.939 
_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                                 9AW2 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.498 
_refine.ls_d_res_low                             23.940 
_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                     34191 
_refine.ls_number_reflns_R_free                  1705 
_refine.ls_number_reflns_R_work                  32486 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.929 
_refine.ls_percent_reflns_R_free                 4.987 
_refine.ls_R_factor_all                          0.186 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2098 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1850 
_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                      0.199 
_refine.ls_wR_factor_R_work                      0.172 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.080 
_refine.pdbx_overall_ESU_R_Free                  0.079 
_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                             1.553 
_refine.overall_SU_ML                            0.055 
_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                    0.9719 
_refine.pdbx_average_fsc_free                    0.9682 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.498 
_refine_hist.d_res_low                        23.940 
_refine_hist.number_atoms_solvent             315 
_refine_hist.number_atoms_total               1954 
_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' ? 0.010  0.012  1669 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1540 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.720  1.758  2263 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.606  1.726  3563 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.200  5.000  222  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.211 5.000  3    ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 1.282  5.000  1    ? r_dihedral_angle_other_2_deg   ? ? 
'X-RAY DIFFRACTION' ? 10.842 10.000 269  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.137 10.000 58   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.084  0.200  254  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  1978 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  366  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.221  0.200  307  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.198  0.200  1425 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.177  0.200  823  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.085  0.200  924  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.283  0.200  193  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.125  0.200  6    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.194  0.200  4    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.125  0.200  34   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.141  0.200  37   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.031  0.988  891  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.021  0.988  891  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 1.524  1.776  1112 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 1.523  1.776  1113 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 1.868  1.124  778  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.867  1.123  779  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.795  1.972  1151 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.795  1.972  1151 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.156  15.138 1991 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.535  11.494 1883 ? r_lrange_other                 ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.498 1.537  2505 . 109 2206 92.4152  . 0.372 . . 0.373 . . . . . 0.330 . 20 . 0.922 0.935 0.353 
'X-RAY DIFFRACTION' 1.537 1.578  2450 . 101 2275 96.9796  . 0.349 . . 0.352 . . . . . 0.306 . 20 . 0.933 0.947 0.285 
'X-RAY DIFFRACTION' 1.578 1.624  2390 . 102 2244 98.1590  . 0.297 . . 0.295 . . . . . 0.246 . 20 . 0.955 0.943 0.343 
'X-RAY DIFFRACTION' 1.624 1.674  2293 . 104 2163 98.8661  . 0.249 . . 0.244 . . . . . 0.200 . 20 . 0.966 0.954 0.362 
'X-RAY DIFFRACTION' 1.674 1.728  2257 . 112 2137 99.6455  . 0.212 . . 0.211 . . . . . 0.172 . 20 . 0.974 0.962 0.234 
'X-RAY DIFFRACTION' 1.728 1.789  2189 . 120 2064 99.7716  . 0.189 . . 0.188 . . . . . 0.154 . 20 . 0.978 0.973 0.205 
'X-RAY DIFFRACTION' 1.789 1.856  2077 . 118 1958 99.9519  . 0.180 . . 0.178 . . . . . 0.151 . 20 . 0.980 0.973 0.222 
'X-RAY DIFFRACTION' 1.856 1.931  2021 . 109 1910 99.9010  . 0.180 . . 0.178 . . . . . 0.160 . 20 . 0.980 0.971 0.217 
'X-RAY DIFFRACTION' 1.931 2.016  1964 . 102 1861 99.9491  . 0.188 . . 0.186 . . . . . 0.175 . 20 . 0.981 0.969 0.213 
'X-RAY DIFFRACTION' 2.016 2.114  1852 . 102 1750 100.0000 . 0.171 . . 0.171 . . . . . 0.163 . 20 . 0.987 0.987 0.165 
'X-RAY DIFFRACTION' 2.114 2.227  1783 . 74  1709 100.0000 . 0.161 . . 0.160 . . . . . 0.154 . 20 . 0.987 0.980 0.193 
'X-RAY DIFFRACTION' 2.227 2.361  1696 . 82  1614 100.0000 . 0.148 . . 0.146 . . . . . 0.140 . 20 . 0.987 0.981 0.182 
'X-RAY DIFFRACTION' 2.361 2.523  1597 . 92  1505 100.0000 . 0.158 . . 0.156 . . . . . 0.152 . 20 . 0.984 0.975 0.196 
'X-RAY DIFFRACTION' 2.523 2.722  1486 . 79  1407 100.0000 . 0.146 . . 0.146 . . . . . 0.146 . 20 . 0.986 0.982 0.162 
'X-RAY DIFFRACTION' 2.722 2.978  1381 . 66  1315 100.0000 . 0.162 . . 0.162 . . . . . 0.164 . 20 . 0.983 0.982 0.164 
'X-RAY DIFFRACTION' 2.978 3.323  1258 . 54  1202 99.8410  . 0.162 . . 0.161 . . . . . 0.167 . 20 . 0.984 0.981 0.169 
'X-RAY DIFFRACTION' 3.323 3.825  1129 . 61  1067 99.9114  . 0.160 . . 0.157 . . . . . 0.165 . 20 . 0.984 0.971 0.219 
'X-RAY DIFFRACTION' 3.825 4.655  959  . 55  902  99.7915  . 0.145 . . 0.142 . . . . . 0.158 . 20 . 0.991 0.988 0.189 
'X-RAY DIFFRACTION' 4.655 6.462  776  . 43  733  100.0000 . 0.211 . . 0.209 . . . . . 0.224 . 20 . 0.988 0.980 0.238 
'X-RAY DIFFRACTION' 6.462 23.940 484  . 20  464  100.0000 . 0.234 . . 0.232 . . . . . 0.262 . 20 . 0.973 0.974 0.278 
# 
_struct.entry_id                     9AW2 
_struct.title                        'Crystal structure of trypsin at 125 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        9AW2 
_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              9AW2 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 223 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00760 
_struct_ref_seq.db_align_beg                  24 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  246 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       223 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0 
_pdbx_struct_oper_list.matrix[1][2]         0.0 
_pdbx_struct_oper_list.matrix[1][3]         0.0 
_pdbx_struct_oper_list.vector[1]            0.0 
_pdbx_struct_oper_list.matrix[2][1]         0.0 
_pdbx_struct_oper_list.matrix[2][2]         1.0 
_pdbx_struct_oper_list.matrix[2][3]         0.0 
_pdbx_struct_oper_list.vector[2]            0.0 
_pdbx_struct_oper_list.matrix[3][1]         0.0 
_pdbx_struct_oper_list.matrix[3][2]         0.0 
_pdbx_struct_oper_list.matrix[3][3]         1.0 
_pdbx_struct_oper_list.vector[3]            0.0 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ALA A 38  ? TYR A 42  ? ALA A 38  TYR A 42  5 ? 5  
HELX_P HELX_P2 AA2 SER A 144 ? TYR A 152 ? SER A 144 TYR A 152 1 ? 9  
HELX_P HELX_P3 AA3 TYR A 212 ? SER A 222 ? TYR A 212 SER A 222 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 7   SG  ? ? ? 1_555 A CYS 137 SG ? ? A CYS 7   A CYS 137 1_555 ? ? ? ? ? ? ? 2.052 ? ? 
disulf2 disulf ? ? A CYS 25  SG  ? ? ? 1_555 A CYS 41  SG ? ? A CYS 25  A CYS 41  1_555 ? ? ? ? ? ? ? 2.017 ? ? 
disulf3 disulf ? ? A CYS 109 SG  ? ? ? 1_555 A CYS 210 SG ? ? A CYS 109 A CYS 210 1_555 ? ? ? ? ? ? ? 2.065 ? ? 
disulf4 disulf ? ? A CYS 116 SG  ? ? ? 1_555 A CYS 183 SG ? ? A CYS 116 A CYS 183 1_555 ? ? ? ? ? ? ? 2.015 ? ? 
disulf5 disulf ? ? A CYS 148 SG  ? ? ? 1_555 A CYS 162 SG ? ? A CYS 148 A CYS 162 1_555 ? ? ? ? ? ? ? 1.975 ? ? 
disulf6 disulf ? ? A CYS 173 SG  ? ? ? 1_555 A CYS 197 SG ? ? A CYS 173 A CYS 197 1_555 ? ? ? ? ? ? ? 2.038 ? ? 
metalc1 metalc ? ? A GLU 52  OE1 ? ? ? 1_555 B CA  .   CA ? ? A GLU 52  A CA  301 1_555 ? ? ? ? ? ? ? 2.255 ? ? 
metalc2 metalc ? ? A ASN 54  O   ? ? ? 1_555 B CA  .   CA ? ? A ASN 54  A CA  301 1_555 ? ? ? ? ? ? ? 2.284 ? ? 
metalc3 metalc ? ? A VAL 57  O   ? ? ? 1_555 B CA  .   CA ? ? A VAL 57  A CA  301 1_555 ? ? ? ? ? ? ? 2.235 ? ? 
metalc4 metalc ? ? A GLU 62  OE2 ? ? ? 1_555 B CA  .   CA ? ? A GLU 62  A CA  301 1_555 ? ? ? ? ? ? ? 2.337 ? ? 
metalc5 metalc ? ? B CA  .   CA  ? ? ? 1_555 D HOH .   O  ? ? A CA  301 A HOH 410 1_555 ? ? ? ? ? ? ? 2.369 ? ? 
metalc6 metalc ? ? B CA  .   CA  ? ? ? 1_555 D HOH .   O  ? ? A CA  301 A HOH 490 1_555 ? ? ? ? ? ? ? 2.359 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A ASN 54 ? A ASN 54  ? 1_555 90.9  ? 
2  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57  ? 1_555 166.3 ? 
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 81.1  ? 
4  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 103.4 ? 
5  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 160.1 ? 
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 87.2  ? 
7  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 410 ? 1_555 86.3  ? 
8  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 410 ? 1_555 90.6  ? 
9  O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 410 ? 1_555 104.8 ? 
10 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 410 ? 1_555 76.8  ? 
11 OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 490 ? 1_555 79.9  ? 
12 O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 490 ? 1_555 101.3 ? 
13 O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 490 ? 1_555 90.7  ? 
14 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 490 ? 1_555 94.9  ? 
15 O   ? D HOH .  ? A HOH 410 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 490 ? 1_555 161.8 ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 7   ? CYS A 137 ? CYS A 7   ? 1_555 CYS A 137 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 25  ? CYS A 41  ? CYS A 25  ? 1_555 CYS A 41  ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 109 ? CYS A 210 ? CYS A 109 ? 1_555 CYS A 210 ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 116 ? CYS A 183 ? CYS A 116 ? 1_555 CYS A 183 ? 1_555 SG SG . . . None 'Disulfide bridge' 
5 CYS A 148 ? CYS A 162 ? CYS A 148 ? 1_555 CYS A 162 ? 1_555 SG SG . . . None 'Disulfide bridge' 
6 CYS A 173 ? CYS A 197 ? CYS A 173 ? 1_555 CYS A 197 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 7 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA2 6 7 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 TYR A 5   ? THR A 6   ? TYR A 5   THR A 6   
AA1 2 LYS A 136 ? PRO A 141 ? LYS A 136 PRO A 141 
AA1 3 GLN A 115 ? GLY A 120 ? GLN A 115 GLY A 120 
AA1 4 PRO A 180 ? CYS A 183 ? PRO A 180 CYS A 183 
AA1 5 LYS A 186 ? TRP A 193 ? LYS A 186 TRP A 193 
AA1 6 GLY A 204 ? LYS A 208 ? GLY A 204 LYS A 208 
AA1 7 MET A 160 ? ALA A 163 ? MET A 160 ALA A 163 
AA2 1 GLN A 15  ? ASN A 19  ? GLN A 15  ASN A 19  
AA2 2 HIS A 23  ? ASN A 31  ? HIS A 23  ASN A 31  
AA2 3 TRP A 34  ? SER A 37  ? TRP A 34  SER A 37  
AA2 4 MET A 86  ? LEU A 90  ? MET A 86  LEU A 90  
AA2 5 GLN A 63  ? VAL A 72  ? GLN A 63  VAL A 72  
AA2 6 GLN A 47  ? LEU A 50  ? GLN A 47  LEU A 50  
AA2 7 GLN A 15  ? ASN A 19  ? GLN A 15  ASN A 19  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N TYR A 5   ? N TYR A 5   O CYS A 137 ? O CYS A 137 
AA1 2 3 O LEU A 138 ? O LEU A 138 N ILE A 118 ? N ILE A 118 
AA1 3 4 N LEU A 117 ? N LEU A 117 O VAL A 182 ? O VAL A 182 
AA1 4 5 N CYS A 183 ? N CYS A 183 O LYS A 186 ? O LYS A 186 
AA1 5 6 N TRP A 193 ? N TRP A 193 O VAL A 205 ? O VAL A 205 
AA1 6 7 O TYR A 206 ? O TYR A 206 N PHE A 161 ? N PHE A 161 
AA2 1 2 N LEU A 18  ? N LEU A 18  O CYS A 25  ? O CYS A 25  
AA2 2 3 N SER A 28  ? N SER A 28  O VAL A 36  ? O VAL A 36  
AA2 3 4 N SER A 37  ? N SER A 37  O MET A 86  ? O MET A 86  
AA2 4 5 O LEU A 87  ? O LEU A 87  N ILE A 71  ? N ILE A 71  
AA2 5 6 O GLN A 63  ? O GLN A 63  N LEU A 50  ? N LEU A 50  
AA2 6 7 O GLN A 47  ? O GLN A 47  N ASN A 19  ? N ASN A 19  
# 
_pdbx_entry_details.entry_id                   9AW2 
_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 559 ? ? O A HOH 638 ? ? 2.11 
2 1 O A HOH 512 ? ? O A HOH 630 ? ? 2.17 
# 
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  ? ? -121.12 -84.11 
2 1 SER A 192 ? ? -121.36 -64.06 
# 
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 710 ? 5.85 . 
2 1 O ? A HOH 711 ? 6.10 . 
3 1 O ? A HOH 712 ? 6.15 . 
4 1 O ? A HOH 713 ? 6.61 . 
5 1 O ? A HOH 714 ? 6.72 . 
6 1 O ? A HOH 715 ? 7.03 . 
# 
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                    9AW2 
_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]   0.018422 
_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]   0.017180 
_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]   0.015046 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C  6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651  0.216   
CA 20 20 8.627  10.442 7.387 0.660  1.590 85.748 1.021 178.437 1.375   
H  1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800  0.003   
N  7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583   -11.538 
O  8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909  0.251   
S  16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172  0.867   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
ATOM   1    N  N   . ILE A 1 1   ? -8.010  -19.539 -13.399 1.000 7.708  0 1   ILE A N   1 ? 
ATOM   2    C  CA  . ILE A 1 1   ? -8.079  -20.476 -14.556 1.000 7.550  0 1   ILE A CA  1 ? 
ATOM   3    C  C   . ILE A 1 1   ? -9.374  -20.188 -15.315 1.000 7.856  0 1   ILE A C   1 ? 
ATOM   4    O  O   . ILE A 1 1   ? -10.492 -20.301 -14.772 1.000 7.994  0 1   ILE A O   1 ? 
ATOM   5    C  CB  . ILE A 1 1   ? -7.998  -21.952 -14.093 1.000 7.767  0 1   ILE A CB  1 ? 
ATOM   6    C  CG1 . ILE A 1 1   ? -6.777  -22.296 -13.171 1.000 7.227  0 1   ILE A CG1 1 ? 
ATOM   7    C  CG2 . ILE A 1 1   ? -8.001  -22.900 -15.299 1.000 8.255  0 1   ILE A CG2 1 ? 
ATOM   8    C  CD1 . ILE A 1 1   ? -5.426  -22.291 -13.867 1.000 7.131  0 1   ILE A CD1 1 ? 
ATOM   9    N  N   . VAL A 1 2   ? -9.223  -19.885 -16.613 1.000 8.427  0 2   VAL A N   1 ? 
ATOM   10   C  CA  . VAL A 1 2   ? -10.334 -19.659 -17.532 1.000 8.495  0 2   VAL A CA  1 ? 
ATOM   11   C  C   . VAL A 1 2   ? -10.500 -20.915 -18.374 1.000 8.429  0 2   VAL A C   1 ? 
ATOM   12   O  O   . VAL A 1 2   ? -9.535  -21.383 -18.989 1.000 8.841  0 2   VAL A O   1 ? 
ATOM   13   C  CB  . VAL A 1 2   ? -10.072 -18.420 -18.418 1.000 8.629  0 2   VAL A CB  1 ? 
ATOM   14   C  CG1 . VAL A 1 2   ? -11.175 -18.227 -19.447 1.000 9.198  0 2   VAL A CG1 1 ? 
ATOM   15   C  CG2 . VAL A 1 2   ? -9.903  -17.153 -17.602 1.000 8.994  0 2   VAL A CG2 1 ? 
ATOM   16   N  N   . GLY A 1 3   ? -11.729 -21.419 -18.458 1.000 8.607  0 3   GLY A N   1 ? 
ATOM   17   C  CA  . GLY A 1 3   ? -11.983 -22.494 -19.405 1.000 8.576  0 3   GLY A CA  1 ? 
ATOM   18   C  C   . GLY A 1 3   ? -11.527 -23.856 -18.877 1.000 9.113  0 3   GLY A C   1 ? 
ATOM   19   O  O   . GLY A 1 3   ? -11.378 -24.772 -19.659 1.000 9.902  0 3   GLY A O   1 ? 
ATOM   20   N  N   . GLY A 1 4   ? -11.321 -23.959 -17.567 1.000 8.003  0 4   GLY A N   1 ? 
ATOM   21   C  CA  . GLY A 1 4   ? -10.899 -25.197 -16.935 1.000 8.029  0 4   GLY A CA  1 ? 
ATOM   22   C  C   . GLY A 1 4   ? -12.044 -25.929 -16.252 1.000 8.859  0 4   GLY A C   1 ? 
ATOM   23   O  O   . GLY A 1 4   ? -13.210 -25.809 -16.637 1.000 8.376  0 4   GLY A O   1 ? 
ATOM   24   N  N   . TYR A 1 5   ? -11.660 -26.724 -15.253 1.000 8.476  0 5   TYR A N   1 ? 
ATOM   25   C  CA  . TYR A 1 5   ? -12.580 -27.616 -14.565 1.000 8.409  0 5   TYR A CA  1 ? 
ATOM   26   C  C   . TYR A 1 5   ? -12.232 -27.671 -13.087 1.000 8.817  0 5   TYR A C   1 ? 
ATOM   27   O  O   . TYR A 1 5   ? -11.147 -27.326 -12.650 1.000 8.614  0 5   TYR A O   1 ? 
ATOM   28   C  CB  . TYR A 1 5   ? -12.575 -28.993 -15.237 1.000 8.556  0 5   TYR A CB  1 ? 
ATOM   29   C  CG  . TYR A 1 5   ? -11.269 -29.731 -15.071 1.000 7.817  0 5   TYR A CG  1 ? 
ATOM   30   C  CD1 . TYR A 1 5   ? -10.257 -29.495 -15.983 1.000 7.931  0 5   TYR A CD1 1 ? 
ATOM   31   C  CD2 . TYR A 1 5   ? -11.041 -30.677 -14.086 1.000 7.685  0 5   TYR A CD2 1 ? 
ATOM   32   C  CE1 . TYR A 1 5   ? -9.039  -30.137 -15.890 1.000 8.807  0 5   TYR A CE1 1 ? 
ATOM   33   C  CE2 . TYR A 1 5   ? -9.827  -31.339 -13.990 1.000 8.109  0 5   TYR A CE2 1 ? 
ATOM   34   C  CZ  . TYR A 1 5   ? -8.811  -31.054 -14.887 1.000 8.671  0 5   TYR A CZ  1 ? 
ATOM   35   O  OH  . TYR A 1 5   ? -7.578  -31.666 -14.768 1.000 9.807  0 5   TYR A OH  1 ? 
ATOM   36   N  N   . THR A 1 6   ? -13.221 -28.025 -12.277 1.000 9.419  0 6   THR A N   1 ? 
ATOM   37   C  CA  . THR A 1 6   ? -13.011 -28.224 -10.850 1.000 8.706  0 6   THR A CA  1 ? 
ATOM   38   C  C   . THR A 1 6   ? -12.090 -29.426 -10.630 1.000 8.796  0 6   THR A C   1 ? 
ATOM   39   O  O   . THR A 1 6   ? -12.420 -30.578 -10.982 1.000 8.489  0 6   THR A O   1 ? 
ATOM   40   C  CB  . THR A 1 6   ? -14.356 -28.384 -10.138 1.000 8.797  0 6   THR A CB  1 ? 
ATOM   41   O  OG1 . THR A 1 6   ? -15.053 -27.144 -10.228 1.000 9.531  0 6   THR A OG1 1 ? 
ATOM   42   C  CG2 . THR A 1 6   ? -14.215 -28.759 -8.681  1.000 9.325  0 6   THR A CG2 1 ? 
ATOM   43   N  N   . CYS A 1 7   ? -10.942 -29.209 -9.981  1.000 7.944  0 7   CYS A N   1 ? 
ATOM   44   C  CA  . CYS A 1 7   ? -9.944  -30.264 -9.884  1.000 7.987  0 7   CYS A CA  1 ? 
ATOM   45   C  C   . CYS A 1 7   ? -10.456 -31.476 -9.110  1.000 8.353  0 7   CYS A C   1 ? 
ATOM   46   O  O   . CYS A 1 7   ? -10.224 -32.609 -9.488  1.000 9.440  0 7   CYS A O   1 ? 
ATOM   47   C  CB  . CYS A 1 7   ? -8.693  -29.821 -9.119  1.000 7.332  0 7   CYS A CB  1 ? 
ATOM   48   S  SG  . CYS A 1 7   ? -7.849  -28.407 -9.876  1.000 7.211  0 7   CYS A SG  1 ? 
ATOM   49   N  N   . GLY A 1 8   ? -11.186 -31.169 -8.050  1.000 7.795  0 8   GLY A N   1 ? 
ATOM   50   C  CA  . GLY A 1 8   ? -11.498 -32.121 -6.996  1.000 7.725  0 8   GLY A CA  1 ? 
ATOM   51   C  C   . GLY A 1 8   ? -10.633 -31.876 -5.778  1.000 8.035  0 8   GLY A C   1 ? 
ATOM   52   O  O   . GLY A 1 8   ? -9.423  -31.628 -5.877  1.000 7.918  0 8   GLY A O   1 ? 
ATOM   53   N  N   . ALA A 1 9   ? -11.242 -32.008 -4.601  1.000 9.068  0 9   ALA A N   1 ? 
ATOM   54   C  CA  . ALA A 1 9   ? -10.552 -31.670 -3.363  1.000 8.819  0 9   ALA A CA  1 ? 
ATOM   55   C  C   . ALA A 1 9   ? -9.290  -32.504 -3.149  1.000 8.949  0 9   ALA A C   1 ? 
ATOM   56   O  O   . ALA A 1 9   ? -9.338  -33.748 -3.204  1.000 9.701  0 9   ALA A O   1 ? 
ATOM   57   C  CB  . ALA A 1 9   ? -11.519 -31.862 -2.230  1.000 9.067  0 9   ALA A CB  1 ? 
ATOM   58   N  N   . ASN A 1 10  ? -8.158  -31.802 -2.963  1.000 8.558  0 10  ASN A N   1 ? 
ATOM   59   C  CA  . ASN A 1 10  ? -6.861  -32.374 -2.634  1.000 8.686  0 10  ASN A CA  1 ? 
ATOM   60   C  C   . ASN A 1 10  ? -6.354  -33.330 -3.723  1.000 9.170  0 10  ASN A C   1 ? 
ATOM   61   O  O   . ASN A 1 10  ? -5.525  -34.165 -3.417  1.000 11.151 0 10  ASN A O   1 ? 
ATOM   62   C  CB  . ASN A 1 10  ? -6.884  -33.087 -1.280  1.000 9.472  0 10  ASN A CB  1 ? 
ATOM   63   C  CG  . ASN A 1 10  ? -7.498  -32.181 -0.244  1.000 9.709  0 10  ASN A CG  1 ? 
ATOM   64   O  OD1 . ASN A 1 10  ? -8.608  -32.431 0.267   1.000 11.079 0 10  ASN A OD1 1 ? 
ATOM   65   N  ND2 . ASN A 1 10  ? -6.805  -31.086 0.014   1.000 10.554 0 10  ASN A ND2 1 ? 
ATOM   66   N  N   . THR A 1 11  ? -6.805  -33.180 -4.976  1.000 8.888  0 11  THR A N   1 ? 
ATOM   67   C  CA  . THR A 1 11  ? -6.261  -33.998 -6.055  1.000 8.458  0 11  THR A CA  1 ? 
ATOM   68   C  C   . THR A 1 11  ? -4.971  -33.431 -6.623  1.000 8.629  0 11  THR A C   1 ? 
ATOM   69   O  O   . THR A 1 11  ? -4.382  -34.043 -7.493  1.000 8.822  0 11  THR A O   1 ? 
ATOM   70   C  CB  . THR A 1 11  ? -7.273  -34.165 -7.186  1.000 8.680  0 11  THR A CB  1 ? 
ATOM   71   O  OG1 . THR A 1 11  ? -7.628  -32.878 -7.703  1.000 8.892  0 11  THR A OG1 1 ? 
ATOM   72   C  CG2 . THR A 1 11  ? -8.585  -34.759 -6.706  1.000 8.420  0 11  THR A CG2 1 ? 
ATOM   73   N  N   . VAL A 1 12  ? -4.605  -32.216 -6.208  1.000 7.963  0 12  VAL A N   1 ? 
ATOM   74   C  CA  . VAL A 1 12  ? -3.383  -31.556 -6.625  1.000 7.291  0 12  VAL A CA  1 ? 
ATOM   75   C  C   . VAL A 1 12  ? -2.589  -31.244 -5.357  1.000 7.522  0 12  VAL A C   1 ? 
ATOM   76   O  O   . VAL A 1 12  ? -2.585  -30.128 -4.864  1.000 6.994  0 12  VAL A O   1 ? 
ATOM   77   C  CB  . VAL A 1 12  ? -3.655  -30.303 -7.467  1.000 7.488  0 12  VAL A CB  1 ? 
ATOM   78   C  CG1 . VAL A 1 12  ? -2.344  -29.739 -8.042  1.000 7.528  0 12  VAL A CG1 1 ? 
ATOM   79   C  CG2 . VAL A 1 12  ? -4.678  -30.567 -8.585  1.000 7.771  0 12  VAL A CG2 1 ? 
ATOM   80   N  N   . PRO A 1 13  ? -1.959  -32.256 -4.745  1.000 7.455  0 13  PRO A N   1 ? 
ATOM   81   C  CA  . PRO A 1 13  ? -1.556  -32.156 -3.327  1.000 6.985  0 13  PRO A CA  1 ? 
ATOM   82   C  C   . PRO A 1 13  ? -0.347  -31.268 -3.053  1.000 7.321  0 13  PRO A C   1 ? 
ATOM   83   O  O   . PRO A 1 13  ? -0.071  -30.942 -1.907  1.000 7.369  0 13  PRO A O   1 ? 
ATOM   84   C  CB  . PRO A 1 13  ? -1.363  -33.654 -2.950  1.000 7.424  0 13  PRO A CB  1 ? 
ATOM   85   C  CG  . PRO A 1 13  ? -0.962  -34.297 -4.232  1.000 7.625  0 13  PRO A CG  1 ? 
ATOM   86   C  CD  . PRO A 1 13  ? -1.783  -33.606 -5.306  1.000 7.316  0 13  PRO A CD  1 ? 
ATOM   87   N  N   . TYR A 1 14  ? 0.345   -30.879 -4.132  1.000 7.319  0 14  TYR A N   1 ? 
ATOM   88   C  CA  . TYR A 1 14  ? 1.450   -29.948 -4.057  1.000 6.835  0 14  TYR A CA  1 ? 
ATOM   89   C  C   . TYR A 1 14  ? 1.030   -28.490 -4.264  1.000 6.950  0 14  TYR A C   1 ? 
ATOM   90   O  O   . TYR A 1 14  ? 1.824   -27.604 -4.043  1.000 6.428  0 14  TYR A O   1 ? 
ATOM   91   C  CB  . TYR A 1 14  ? 2.480   -30.339 -5.132  1.000 6.919  0 14  TYR A CB  1 ? 
ATOM   92   C  CG  . TYR A 1 14  ? 1.850   -30.462 -6.518  1.000 7.199  0 14  TYR A CG  1 ? 
ATOM   93   C  CD1 . TYR A 1 14  ? 1.669   -29.364 -7.374  1.000 7.212  0 14  TYR A CD1 1 ? 
ATOM   94   C  CD2 . TYR A 1 14  ? 1.416   -31.702 -6.970  1.000 8.282  0 14  TYR A CD2 1 ? 
ATOM   95   C  CE1 . TYR A 1 14  ? 1.070   -29.499 -8.621  1.000 6.930  0 14  TYR A CE1 1 ? 
ATOM   96   C  CE2 . TYR A 1 14  ? 0.825   -31.849 -8.225  1.000 7.823  0 14  TYR A CE2 1 ? 
ATOM   97   C  CZ  . TYR A 1 14  ? 0.611   -30.749 -9.034  1.000 7.622  0 14  TYR A CZ  1 ? 
ATOM   98   O  OH  . TYR A 1 14  ? 0.013   -30.878 -10.253 1.000 7.063  0 14  TYR A OH  1 ? 
ATOM   99   N  N   . GLN A 1 15  ? -0.236  -28.226 -4.586  1.000 5.755  0 15  GLN A N   1 ? 
ATOM   100  C  CA  . GLN A 1 15  ? -0.745  -26.879 -4.776  1.000 6.307  0 15  GLN A CA  1 ? 
ATOM   101  C  C   . GLN A 1 15  ? -0.873  -26.168 -3.427  1.000 6.415  0 15  GLN A C   1 ? 
ATOM   102  O  O   . GLN A 1 15  ? -1.596  -26.640 -2.538  1.000 7.082  0 15  GLN A O   1 ? 
ATOM   103  C  CB  . GLN A 1 15  ? -2.107  -26.903 -5.462  1.000 6.477  0 15  GLN A CB  1 ? 
ATOM   104  C  CG  . GLN A 1 15  ? -2.758  -25.539 -5.558  1.000 6.542  0 15  GLN A CG  1 ? 
ATOM   105  C  CD  . GLN A 1 15  ? -2.241  -24.702 -6.714  1.000 6.862  0 15  GLN A CD  1 ? 
ATOM   106  O  OE1 . GLN A 1 15  ? -2.262  -25.109 -7.889  1.000 7.744  0 15  GLN A OE1 1 ? 
ATOM   107  N  NE2 . GLN A 1 15  ? -1.883  -23.465 -6.435  1.000 7.439  0 15  GLN A NE2 1 ? 
ATOM   108  N  N   . VAL A 1 16  ? -0.269  -24.986 -3.322  1.000 6.929  0 16  VAL A N   1 ? 
ATOM   109  C  CA  . VAL A 1 16  ? -0.461  -24.173 -2.127  1.000 7.920  0 16  VAL A CA  1 ? 
ATOM   110  C  C   . VAL A 1 16  ? -1.112  -22.831 -2.501  1.000 7.395  0 16  VAL A C   1 ? 
ATOM   111  O  O   . VAL A 1 16  ? -1.039  -22.354 -3.650  1.000 6.377  0 16  VAL A O   1 ? 
ATOM   112  C  CB  . VAL A 1 16  ? 0.805   -23.970 -1.275  1.000 11.874 0 16  VAL A CB  1 ? 
ATOM   113  C  CG1 . VAL A 1 16  ? 1.647   -25.223 -1.026  1.000 13.073 0 16  VAL A CG1 1 ? 
ATOM   114  C  CG2 . VAL A 1 16  ? 1.675   -22.893 -1.817  1.000 12.925 0 16  VAL A CG2 1 ? 
ATOM   115  N  N   . SER A 1 17  ? -1.762  -22.238 -1.484  1.000 6.684  0 17  SER A N   1 ? 
ATOM   116  C  CA  . SER A 1 17  ? -2.259  -20.883 -1.541  1.000 6.877  0 17  SER A CA  1 ? 
ATOM   117  C  C   . SER A 1 17  ? -1.349  -20.033 -0.655  1.000 6.516  0 17  SER A C   1 ? 
ATOM   118  O  O   . SER A 1 17  ? -1.097  -20.429 0.478   1.000 6.412  0 17  SER A O   1 ? 
ATOM   119  C  CB  . SER A 1 17  ? -3.699  -20.823 -1.093  1.000 6.861  0 17  SER A CB  1 ? 
ATOM   120  O  OG  . SER A 1 17  ? -4.127  -19.485 -0.852  1.000 7.274  0 17  SER A OG  1 ? 
ATOM   121  N  N   . LEU A 1 18  ? -0.883  -18.891 -1.178  1.000 6.378  0 18  LEU A N   1 ? 
ATOM   122  C  CA  . LEU A 1 18  ? -0.163  -17.911 -0.389  1.000 7.395  0 18  LEU A CA  1 ? 
ATOM   123  C  C   . LEU A 1 18  ? -1.198  -16.901 0.103   1.000 7.354  0 18  LEU A C   1 ? 
ATOM   124  O  O   . LEU A 1 18  ? -1.932  -16.343 -0.730  1.000 7.138  0 18  LEU A O   1 ? 
ATOM   125  C  CB  . LEU A 1 18  ? 0.948   -17.238 -1.215  1.000 7.541  0 18  LEU A CB  1 ? 
ATOM   126  C  CG  . LEU A 1 18  ? 1.959   -18.149 -1.908  1.000 8.205  0 18  LEU A CG  1 ? 
ATOM   127  C  CD1 . LEU A 1 18  ? 3.037   -17.297 -2.590  1.000 9.016  0 18  LEU A CD1 1 ? 
ATOM   128  C  CD2 . LEU A 1 18  ? 2.556   -19.152 -0.945  1.000 8.788  0 18  LEU A CD2 1 ? 
ATOM   129  N  N   . ASN A 1 19  ? -1.210  -16.688 1.438   1.000 7.306  0 19  ASN A N   1 ? 
ATOM   130  C  CA  . ASN A 1 19  ? -2.230  -15.911 2.097   1.000 6.840  0 19  ASN A CA  1 ? 
ATOM   131  C  C   . ASN A 1 19  ? -1.562  -14.775 2.885   1.000 7.410  0 19  ASN A C   1 ? 
ATOM   132  O  O   . ASN A 1 19  ? -0.639  -15.012 3.671   1.000 6.811  0 19  ASN A O   1 ? 
ATOM   133  C  CB  . ASN A 1 19  ? -3.107  -16.838 2.937   1.000 7.626  0 19  ASN A CB  1 ? 
ATOM   134  C  CG  . ASN A 1 19  ? -4.240  -16.118 3.618   1.000 7.441  0 19  ASN A CG  1 ? 
ATOM   135  O  OD1 . ASN A 1 19  ? -4.010  -15.355 4.560   1.000 7.999  0 19  ASN A OD1 1 ? 
ATOM   136  N  ND2 . ASN A 1 19  ? -5.454  -16.365 3.151   1.000 7.502  0 19  ASN A ND2 1 ? 
ATOM   137  N  N   . SER A 1 20  ? -2.060  -13.536 2.693   1.000 7.550  0 20  SER A N   1 ? 
ATOM   138  C  CA  . SER A 1 20  ? -1.624  -12.393 3.489   1.000 8.491  0 20  SER A CA  1 ? 
ATOM   139  C  C   . SER A 1 20  ? -2.850  -11.666 4.043   1.000 8.996  0 20  SER A C   1 ? 
ATOM   140  O  O   . SER A 1 20  ? -2.979  -10.463 3.911   1.000 10.524 0 20  SER A O   1 ? 
ATOM   141  C  CB  . SER A 1 20  ? -0.808  -11.448 2.639   1.000 9.157  0 20  SER A CB  1 ? 
ATOM   142  O  OG  . SER A 1 20  ? -1.575  -10.897 1.579   1.000 11.416 0 20  SER A OG  1 ? 
ATOM   143  N  N   . GLY A 1 21  ? -3.771  -12.450 4.583   1.000 8.773  0 21  GLY A N   1 ? 
ATOM   144  C  CA  . GLY A 1 21  ? -5.121  -12.023 4.934   1.000 8.368  0 21  GLY A CA  1 ? 
ATOM   145  C  C   . GLY A 1 21  ? -6.175  -12.491 3.933   1.000 8.971  0 21  GLY A C   1 ? 
ATOM   146  O  O   . GLY A 1 21  ? -7.381  -12.375 4.185   1.000 8.870  0 21  GLY A O   1 ? 
ATOM   147  N  N   . TYR A 1 22  ? -5.711  -12.932 2.752   1.000 8.407  0 22  TYR A N   1 ? 
ATOM   148  C  CA  . TYR A 1 22  ? -6.531  -13.309 1.611   1.000 8.139  0 22  TYR A CA  1 ? 
ATOM   149  C  C   . TYR A 1 22  ? -5.578  -14.084 0.696   1.000 7.323  0 22  TYR A C   1 ? 
ATOM   150  O  O   . TYR A 1 22  ? -4.364  -13.869 0.774   1.000 8.068  0 22  TYR A O   1 ? 
ATOM   151  C  CB  . TYR A 1 22  ? -7.142  -12.068 0.947   1.000 9.723  0 22  TYR A CB  1 ? 
ATOM   152  C  CG  . TYR A 1 22  ? -6.063  -11.023 0.726   1.000 11.881 0 22  TYR A CG  1 ? 
ATOM   153  C  CD1 . TYR A 1 22  ? -5.839  -10.028 1.678   1.000 13.856 0 22  TYR A CD1 1 ? 
ATOM   154  C  CD2 . TYR A 1 22  ? -5.223  -11.051 -0.376  1.000 14.231 0 22  TYR A CD2 1 ? 
ATOM   155  C  CE1 . TYR A 1 22  ? -4.817  -9.120  1.549   1.000 15.026 0 22  TYR A CE1 1 ? 
ATOM   156  C  CE2 . TYR A 1 22  ? -4.210  -10.119 -0.526  1.000 14.347 0 22  TYR A CE2 1 ? 
ATOM   157  C  CZ  . TYR A 1 22  ? -3.993  -9.172  0.452   1.000 16.979 0 22  TYR A CZ  1 ? 
ATOM   158  O  OH  . TYR A 1 22  ? -2.995  -8.238  0.356   1.000 21.949 0 22  TYR A OH  1 ? 
ATOM   159  N  N   . HIS A 1 23  ? -6.121  -14.981 -0.131  1.000 7.450  0 23  HIS A N   1 ? 
ATOM   160  C  CA  . HIS A 1 23  ? -5.323  -15.654 -1.151  1.000 7.314  0 23  HIS A CA  1 ? 
ATOM   161  C  C   . HIS A 1 23  ? -4.839  -14.569 -2.112  1.000 7.175  0 23  HIS A C   1 ? 
ATOM   162  O  O   . HIS A 1 23  ? -5.650  -13.802 -2.638  1.000 8.440  0 23  HIS A O   1 ? 
ATOM   163  C  CB  . HIS A 1 23  ? -6.220  -16.668 -1.881  1.000 7.742  0 23  HIS A CB  1 ? 
ATOM   164  C  CG  . HIS A 1 23  ? -5.615  -17.098 -3.172  1.000 7.343  0 23  HIS A CG  1 ? 
ATOM   165  N  ND1 . HIS A 1 23  ? -4.757  -18.166 -3.198  1.000 6.419  0 23  HIS A ND1 1 ? 
ATOM   166  C  CD2 . HIS A 1 23  ? -5.681  -16.616 -4.451  1.000 7.337  0 23  HIS A CD2 1 ? 
ATOM   167  C  CE1 . HIS A 1 23  ? -4.320  -18.312 -4.452  1.000 6.990  0 23  HIS A CE1 1 ? 
ATOM   168  N  NE2 . HIS A 1 23  ? -4.854  -17.394 -5.236  1.000 7.253  0 23  HIS A NE2 1 ? 
ATOM   169  N  N   . PHE A 1 24  ? -3.547  -14.633 -2.489  1.000 7.604  0 24  PHE A N   1 ? 
ATOM   170  C  CA  . PHE A 1 24  ? -3.063  -13.688 -3.475  1.000 7.315  0 24  PHE A CA  1 ? 
ATOM   171  C  C   . PHE A 1 24  ? -2.192  -14.333 -4.554  1.000 7.698  0 24  PHE A C   1 ? 
ATOM   172  O  O   . PHE A 1 24  ? -1.942  -13.688 -5.568  1.000 8.111  0 24  PHE A O   1 ? 
ATOM   173  C  CB  . PHE A 1 24  ? -2.332  -12.512 -2.827  1.000 7.918  0 24  PHE A CB  1 ? 
ATOM   174  C  CG  . PHE A 1 24  ? -1.028  -12.908 -2.198  1.000 7.826  0 24  PHE A CG  1 ? 
ATOM   175  C  CD1 . PHE A 1 24  ? 0.116   -12.916 -2.979  1.000 8.615  0 24  PHE A CD1 1 ? 
ATOM   176  C  CD2 . PHE A 1 24  ? -0.914  -13.297 -0.861  1.000 7.994  0 24  PHE A CD2 1 ? 
ATOM   177  C  CE1 . PHE A 1 24  ? 1.312   -13.336 -2.426  1.000 8.419  0 24  PHE A CE1 1 ? 
ATOM   178  C  CE2 . PHE A 1 24  ? 0.291   -13.663 -0.300  1.000 8.520  0 24  PHE A CE2 1 ? 
ATOM   179  C  CZ  . PHE A 1 24  ? 1.416   -13.700 -1.107  1.000 8.348  0 24  PHE A CZ  1 ? 
ATOM   180  N  N   . CYS A 1 25  ? -1.788  -15.589 -4.387  1.000 7.242  0 25  CYS A N   1 ? 
ATOM   181  C  CA  . CYS A 1 25  ? -0.917  -16.249 -5.367  1.000 7.117  0 25  CYS A CA  1 ? 
ATOM   182  C  C   . CYS A 1 25  ? -0.902  -17.729 -5.041  1.000 6.727  0 25  CYS A C   1 ? 
ATOM   183  O  O   . CYS A 1 25  ? -1.195  -18.150 -3.930  1.000 7.797  0 25  CYS A O   1 ? 
ATOM   184  C  CB  . CYS A 1 25  ? 0.547   -15.769 -5.378  1.000 7.434  0 25  CYS A CB  1 ? 
ATOM   185  S  SG  . CYS A 1 25  ? 0.882   -14.307 -6.430  1.000 6.585  0 25  CYS A SG  1 ? 
ATOM   186  N  N   . GLY A 1 26  ? -0.586  -18.532 -6.062  1.000 7.125  0 26  GLY A N   1 ? 
ATOM   187  C  CA  . GLY A 1 26  ? -0.285  -19.941 -5.848  1.000 6.957  0 26  GLY A CA  1 ? 
ATOM   188  C  C   . GLY A 1 26  ? 1.203   -20.194 -5.593  1.000 7.469  0 26  GLY A C   1 ? 
ATOM   189  O  O   . GLY A 1 26  ? 2.032   -19.306 -5.666  1.000 6.713  0 26  GLY A O   1 ? 
ATOM   190  N  N   . GLY A 1 27  ? 1.472   -21.466 -5.329  1.000 7.592  0 27  GLY A N   1 ? 
ATOM   191  C  CA  . GLY A 1 27  ? 2.820   -21.973 -5.162  1.000 6.936  0 27  GLY A CA  1 ? 
ATOM   192  C  C   . GLY A 1 27  ? 2.797   -23.484 -5.239  1.000 6.906  0 27  GLY A C   1 ? 
ATOM   193  O  O   . GLY A 1 27  ? 1.697   -24.049 -5.312  1.000 7.241  0 27  GLY A O   1 ? 
ATOM   194  N  N   . SER A 1 28  ? 3.982   -24.078 -5.241  1.000 6.190  0 28  SER A N   1 ? 
ATOM   195  C  CA  . SER A 1 28  ? 4.141   -25.514 -5.290  1.000 6.423  0 28  SER A CA  1 ? 
ATOM   196  C  C   . SER A 1 28  ? 5.061   -25.974 -4.171  1.000 7.038  0 28  SER A C   1 ? 
ATOM   197  O  O   . SER A 1 28  ? 6.155   -25.452 -4.009  1.000 7.190  0 28  SER A O   1 ? 
ATOM   198  C  CB  . SER A 1 28  ? 4.677   -25.974 -6.623  1.000 6.965  0 28  SER A CB  1 ? 
ATOM   199  O  OG  . SER A 1 28  ? 3.954   -25.514 -7.757  1.000 7.312  0 28  SER A OG  1 ? 
ATOM   200  N  N   . LEU A 1 29  ? 4.644   -27.013 -3.448  1.000 6.804  0 29  LEU A N   1 ? 
ATOM   201  C  CA  . LEU A 1 29  ? 5.422   -27.615 -2.374  1.000 7.067  0 29  LEU A CA  1 ? 
ATOM   202  C  C   . LEU A 1 29  ? 6.485   -28.535 -2.982  1.000 7.871  0 29  LEU A C   1 ? 
ATOM   203  O  O   . LEU A 1 29  ? 6.094   -29.448 -3.697  1.000 7.762  0 29  LEU A O   1 ? 
ATOM   204  C  CB  . LEU A 1 29  ? 4.496   -28.378 -1.419  1.000 7.790  0 29  LEU A CB  1 ? 
ATOM   205  C  CG  . LEU A 1 29  ? 5.199   -28.894 -0.157  1.000 8.347  0 29  LEU A CG  1 ? 
ATOM   206  C  CD1 . LEU A 1 29  ? 5.551   -27.724 0.757   1.000 8.639  0 29  LEU A CD1 1 ? 
ATOM   207  C  CD2 . LEU A 1 29  ? 4.362   -29.929 0.605   1.000 9.534  0 29  LEU A CD2 1 ? 
ATOM   208  N  N   . ILE A 1 30  ? 7.769   -28.285 -2.733  1.000 8.880  0 30  ILE A N   1 ? 
ATOM   209  C  CA  . ILE A 1 30  ? 8.806   -29.104 -3.390  1.000 9.955  0 30  ILE A CA  1 ? 
ATOM   210  C  C   . ILE A 1 30  ? 9.549   -30.006 -2.401  1.000 10.089 0 30  ILE A C   1 ? 
ATOM   211  O  O   . ILE A 1 30  ? 10.243  -30.933 -2.837  1.000 11.599 0 30  ILE A O   1 ? 
ATOM   212  C  CB  . ILE A 1 30  ? 9.777   -28.303 -4.261  1.000 11.609 0 30  ILE A CB  1 ? 
ATOM   213  C  CG1 . ILE A 1 30  ? 10.464  -27.187 -3.478  1.000 11.476 0 30  ILE A CG1 1 ? 
ATOM   214  C  CG2 . ILE A 1 30  ? 9.058   -27.795 -5.525  1.000 10.561 0 30  ILE A CG2 1 ? 
ATOM   215  C  CD1 . ILE A 1 30  ? 11.701  -26.640 -4.167  1.000 13.308 0 30  ILE A CD1 1 ? 
ATOM   216  N  N   . ASN A 1 31  ? 9.344   -29.769 -1.094  1.000 10.141 0 31  ASN A N   1 ? 
ATOM   217  C  CA  . ASN A 1 31  ? 9.727   -30.697 -0.041  1.000 10.277 0 31  ASN A CA  1 ? 
ATOM   218  C  C   . ASN A 1 31  ? 8.989   -30.272 1.223   1.000 9.973  0 31  ASN A C   1 ? 
ATOM   219  O  O   . ASN A 1 31  ? 8.230   -29.299 1.208   1.000 9.502  0 31  ASN A O   1 ? 
ATOM   220  C  CB  . ASN A 1 31  ? 11.244  -30.777 0.145   1.000 11.216 0 31  ASN A CB  1 ? 
ATOM   221  C  CG  . ASN A 1 31  ? 11.881  -29.473 0.586   1.000 13.826 0 31  ASN A CG  1 ? 
ATOM   222  O  OD1 . ASN A 1 31  ? 11.411  -28.755 1.460   1.000 11.896 0 31  ASN A OD1 1 ? 
ATOM   223  N  ND2 . ASN A 1 31  ? 12.988  -29.140 -0.039  1.000 19.773 0 31  ASN A ND2 1 ? 
ATOM   224  N  N   . SER A 1 32  ? 9.245   -30.932 2.352   1.000 9.727  0 32  SER A N   1 ? 
ATOM   225  C  CA  . SER A 1 32  ? 8.475   -30.642 3.535   1.000 9.735  0 32  SER A CA  1 ? 
ATOM   226  C  C   . SER A 1 32  ? 8.619   -29.202 4.039   1.000 10.223 0 32  SER A C   1 ? 
ATOM   227  O  O   . SER A 1 32  ? 7.783   -28.748 4.831   1.000 10.741 0 32  SER A O   1 ? 
ATOM   228  C  CB  . SER A 1 32  ? 8.824   -31.634 4.632   1.000 10.067 0 32  SER A CB  1 ? 
ATOM   229  O  OG  . SER A 1 32  ? 10.121  -31.343 5.103   1.000 11.797 0 32  SER A OG  1 ? 
ATOM   230  N  N   . GLN A 1 33  ? 9.675   -28.475 3.654   1.000 10.964 0 33  GLN A N   1 ? 
ATOM   231  C  CA  . GLN A 1 33  ? 9.872   -27.150 4.233   1.000 11.467 0 33  GLN A CA  1 ? 
ATOM   232  C  C   . GLN A 1 33  ? 10.000  -26.012 3.212   1.000 9.467  0 33  GLN A C   1 ? 
ATOM   233  O  O   . GLN A 1 33  ? 10.275  -24.883 3.645   1.000 8.753  0 33  GLN A O   1 ? 
ATOM   234  C  CB  . GLN A 1 33  ? 11.124  -27.033 5.100   1.000 15.915 0 33  GLN A CB  1 ? 
ATOM   235  C  CG  . GLN A 1 33  ? 11.366  -28.187 6.049   1.000 21.175 0 33  GLN A CG  1 ? 
ATOM   236  C  CD  . GLN A 1 33  ? 12.693  -28.052 6.752   1.000 22.992 0 33  GLN A CD  1 ? 
ATOM   237  O  OE1 . GLN A 1 33  ? 13.730  -28.629 6.355   1.000 27.884 0 33  GLN A OE1 1 ? 
ATOM   238  N  NE2 . GLN A 1 33  ? 12.639  -27.245 7.779   1.000 19.633 0 33  GLN A NE2 1 ? 
ATOM   239  N  N   . TRP A 1 34  ? 9.831   -26.299 1.913   1.000 8.233  0 34  TRP A N   1 ? 
ATOM   240  C  CA  . TRP A 1 34  ? 10.067  -25.291 0.880   1.000 7.826  0 34  TRP A CA  1 ? 
ATOM   241  C  C   . TRP A 1 34  ? 8.950   -25.272 -0.154  1.000 7.921  0 34  TRP A C   1 ? 
ATOM   242  O  O   . TRP A 1 34  ? 8.514   -26.314 -0.620  1.000 7.262  0 34  TRP A O   1 ? 
ATOM   243  C  CB  . TRP A 1 34  ? 11.382  -25.531 0.155   1.000 8.674  0 34  TRP A CB  1 ? 
ATOM   244  C  CG  . TRP A 1 34  ? 12.587  -25.246 1.002   1.000 9.193  0 34  TRP A CG  1 ? 
ATOM   245  C  CD1 . TRP A 1 34  ? 13.252  -26.120 1.824   1.000 10.213 0 34  TRP A CD1 1 ? 
ATOM   246  C  CD2 . TRP A 1 34  ? 13.292  -23.998 1.085   1.000 9.066  0 34  TRP A CD2 1 ? 
ATOM   247  N  NE1 . TRP A 1 34  ? 14.291  -25.476 2.441   1.000 9.730  0 34  TRP A NE1 1 ? 
ATOM   248  C  CE2 . TRP A 1 34  ? 14.366  -24.194 1.983   1.000 9.350  0 34  TRP A CE2 1 ? 
ATOM   249  C  CE3 . TRP A 1 34  ? 13.137  -22.745 0.489   1.000 9.097  0 34  TRP A CE3 1 ? 
ATOM   250  C  CZ2 . TRP A 1 34  ? 15.271  -23.188 2.309   1.000 9.965  0 34  TRP A CZ2 1 ? 
ATOM   251  C  CZ3 . TRP A 1 34  ? 14.033  -21.752 0.797   1.000 10.038 0 34  TRP A CZ3 1 ? 
ATOM   252  C  CH2 . TRP A 1 34  ? 15.095  -21.968 1.686   1.000 9.842  0 34  TRP A CH2 1 ? 
ATOM   253  N  N   . VAL A 1 35  ? 8.660   -24.047 -0.616  1.000 7.921  0 35  VAL A N   1 ? 
ATOM   254  C  CA  . VAL A 1 35  ? 7.676   -23.751 -1.655  1.000 7.799  0 35  VAL A CA  1 ? 
ATOM   255  C  C   . VAL A 1 35  ? 8.341   -22.940 -2.760  1.000 8.109  0 35  VAL A C   1 ? 
ATOM   256  O  O   . VAL A 1 35  ? 9.124   -22.023 -2.487  1.000 7.818  0 35  VAL A O   1 ? 
ATOM   257  C  CB  . VAL A 1 35  ? 6.478   -22.991 -1.050  1.000 8.563  0 35  VAL A CB  1 ? 
ATOM   258  C  CG1 . VAL A 1 35  ? 5.597   -22.300 -2.102  1.000 7.775  0 35  VAL A CG1 1 ? 
ATOM   259  C  CG2 . VAL A 1 35  ? 5.641   -23.886 -0.169  1.000 8.984  0 35  VAL A CG2 1 ? 
ATOM   260  N  N   . VAL A 1 36  ? 7.996   -23.269 -4.009  1.000 7.645  0 36  VAL A N   1 ? 
ATOM   261  C  CA  . VAL A 1 36  ? 8.407   -22.482 -5.163  1.000 8.879  0 36  VAL A CA  1 ? 
ATOM   262  C  C   . VAL A 1 36  ? 7.210   -21.679 -5.631  1.000 7.600  0 36  VAL A C   1 ? 
ATOM   263  O  O   . VAL A 1 36  ? 6.112   -22.226 -5.769  1.000 8.514  0 36  VAL A O   1 ? 
ATOM   264  C  CB  . VAL A 1 36  ? 8.899   -23.401 -6.307  1.000 12.311 0 36  VAL A CB  1 ? 
ATOM   265  C  CG1 . VAL A 1 36  ? 9.054   -22.641 -7.616  1.000 16.157 0 36  VAL A CG1 1 ? 
ATOM   266  C  CG2 . VAL A 1 36  ? 10.207  -24.074 -5.972  1.000 15.265 0 36  VAL A CG2 1 ? 
ATOM   267  N  N   . SER A 1 37  ? 7.440   -20.386 -5.929  1.000 6.803  0 37  SER A N   1 ? 
ATOM   268  C  CA  . SER A 1 37  ? 6.397   -19.532 -6.431  1.000 6.535  0 37  SER A CA  1 ? 
ATOM   269  C  C   . SER A 1 37  ? 7.012   -18.558 -7.448  1.000 5.921  0 37  SER A C   1 ? 
ATOM   270  O  O   . SER A 1 37  ? 8.165   -18.720 -7.872  1.000 4.842  0 37  SER A O   1 ? 
ATOM   271  C  CB  . SER A 1 37  ? 5.647   -18.846 -5.264  1.000 6.762  0 37  SER A CB  1 ? 
ATOM   272  O  OG  . SER A 1 37  ? 4.543   -18.085 -5.766  1.000 6.511  0 37  SER A OG  1 ? 
ATOM   273  N  N   . ALA A 1 38  ? 6.250   -17.539 -7.850  1.000 5.646  0 38  ALA A N   1 ? 
ATOM   274  C  CA  . ALA A 1 38  ? 6.741   -16.485 -8.759  1.000 5.880  0 38  ALA A CA  1 ? 
ATOM   275  C  C   . ALA A 1 38  ? 7.329   -15.331 -7.952  1.000 6.238  0 38  ALA A C   1 ? 
ATOM   276  O  O   . ALA A 1 38  ? 6.779   -15.012 -6.913  1.000 6.635  0 38  ALA A O   1 ? 
ATOM   277  C  CB  . ALA A 1 38  ? 5.616   -15.967 -9.633  1.000 6.025  0 38  ALA A CB  1 ? 
ATOM   278  N  N   . ALA A 1 39  ? 8.483   -14.774 -8.359  1.000 6.489  0 39  ALA A N   1 ? 
ATOM   279  C  CA  . ALA A 1 39  ? 9.033   -13.600 -7.702  1.000 6.773  0 39  ALA A CA  1 ? 
ATOM   280  C  C   . ALA A 1 39  ? 8.056   -12.436 -7.662  1.000 6.300  0 39  ALA A C   1 ? 
ATOM   281  O  O   . ALA A 1 39  ? 8.100   -11.683 -6.697  1.000 6.547  0 39  ALA A O   1 ? 
ATOM   282  C  CB  . ALA A 1 39  ? 10.353  -13.225 -8.333  1.000 6.819  0 39  ALA A CB  1 ? 
ATOM   283  N  N   . HIS A 1 40  ? 7.206   -12.265 -8.696  1.000 6.633  0 40  HIS A N   1 ? 
ATOM   284  C  CA  . HIS A 1 40  ? 6.275   -11.149 -8.715  1.000 6.702  0 40  HIS A CA  1 ? 
ATOM   285  C  C   . HIS A 1 40  ? 5.183   -11.322 -7.672  1.000 7.522  0 40  HIS A C   1 ? 
ATOM   286  O  O   . HIS A 1 40  ? 4.491   -10.344 -7.372  1.000 8.128  0 40  HIS A O   1 ? 
ATOM   287  C  CB  . HIS A 1 40  ? 5.735   -10.923 -10.119 1.000 7.230  0 40  HIS A CB  1 ? 
ATOM   288  C  CG  . HIS A 1 40  ? 4.588   -11.717 -10.555 1.000 7.431  0 40  HIS A CG  1 ? 
ATOM   289  N  ND1 . HIS A 1 40  ? 4.618   -12.778 -11.448 1.000 7.609  0 40  HIS A ND1 1 ? 
ATOM   290  C  CD2 . HIS A 1 40  ? 3.315   -11.507 -10.234 1.000 7.180  0 40  HIS A CD2 1 ? 
ATOM   291  C  CE1 . HIS A 1 40  ? 3.374   -13.180 -11.655 1.000 8.263  0 40  HIS A CE1 1 ? 
ATOM   292  N  NE2 . HIS A 1 40  ? 2.552   -12.417 -10.933 1.000 8.084  0 40  HIS A NE2 1 ? 
ATOM   293  N  N   . CYS A 1 41  ? 5.115   -12.498 -7.050  1.000 7.071  0 41  CYS A N   1 ? 
ATOM   294  C  CA  . CYS A 1 41  ? 4.259   -12.743 -5.911  1.000 7.652  0 41  CYS A CA  1 ? 
ATOM   295  C  C   . CYS A 1 41  ? 4.901   -12.309 -4.574  1.000 9.674  0 41  CYS A C   1 ? 
ATOM   296  O  O   . CYS A 1 41  ? 4.247   -12.391 -3.516  1.000 11.723 0 41  CYS A O   1 ? 
ATOM   297  C  CB  . CYS A 1 41  ? 3.903   -14.218 -5.818  1.000 8.141  0 41  CYS A CB  1 ? 
ATOM   298  S  SG  . CYS A 1 41  ? 2.736   -14.705 -7.117  1.000 7.959  0 41  CYS A SG  1 ? 
ATOM   299  N  N   . TYR A 1 42  ? 6.160   -11.868 -4.543  1.000 8.444  0 42  TYR A N   1 ? 
ATOM   300  C  CA  . TYR A 1 42  ? 6.806   -11.543 -3.281  1.000 9.409  0 42  TYR A CA  1 ? 
ATOM   301  C  C   . TYR A 1 42  ? 5.991   -10.516 -2.498  1.000 9.476  0 42  TYR A C   1 ? 
ATOM   302  O  O   . TYR A 1 42  ? 5.552   -9.503  -3.055  1.000 10.566 0 42  TYR A O   1 ? 
ATOM   303  C  CB  . TYR A 1 42  ? 8.218   -11.013 -3.564  1.000 9.457  0 42  TYR A CB  1 ? 
ATOM   304  C  CG  . TYR A 1 42  ? 8.737   -10.280 -2.325  1.000 10.481 0 42  TYR A CG  1 ? 
ATOM   305  C  CD1 . TYR A 1 42  ? 9.241   -10.973 -1.229  1.000 11.990 0 42  TYR A CD1 1 ? 
ATOM   306  C  CD2 . TYR A 1 42  ? 8.590   -8.908  -2.222  1.000 12.024 0 42  TYR A CD2 1 ? 
ATOM   307  C  CE1 . TYR A 1 42  ? 9.555   -10.293 -0.055  1.000 13.500 0 42  TYR A CE1 1 ? 
ATOM   308  C  CE2 . TYR A 1 42  ? 8.949   -8.216  -1.077  1.000 13.708 0 42  TYR A CE2 1 ? 
ATOM   309  C  CZ  . TYR A 1 42  ? 9.419   -8.918  0.011   1.000 15.180 0 42  TYR A CZ  1 ? 
ATOM   310  O  OH  . TYR A 1 42  ? 9.735   -8.181  1.137   1.000 16.889 0 42  TYR A OH  1 ? 
ATOM   311  N  N   . LYS A 1 43  ? 5.833   -10.809 -1.197  1.000 10.494 0 43  LYS A N   1 ? 
ATOM   312  C  CA  . LYS A 1 43  ? 5.564   -9.776  -0.191  1.000 12.401 0 43  LYS A CA  1 ? 
ATOM   313  C  C   . LYS A 1 43  ? 5.920   -10.303 1.193   1.000 12.801 0 43  LYS A C   1 ? 
ATOM   314  O  O   . LYS A 1 43  ? 6.261   -11.460 1.353   1.000 12.406 0 43  LYS A O   1 ? 
ATOM   315  C  CB  . LYS A 1 43  ? 4.092   -9.362  -0.256  1.000 16.767 0 43  LYS A CB  1 ? 
ATOM   316  C  CG  . LYS A 1 43  ? 3.196   -10.512 -0.020  1.000 16.439 0 43  LYS A CG  1 ? 
ATOM   317  C  CD  . LYS A 1 43  ? 1.726   -10.169 0.187   1.000 18.475 0 43  LYS A CD  1 ? 
ATOM   318  C  CE  . LYS A 1 43  ? 0.986   -9.738  -0.985  1.000 17.327 0 43  LYS A CE  1 ? 
ATOM   319  N  NZ  . LYS A 1 43  ? -0.349  -9.260  -0.563  1.000 19.527 0 43  LYS A NZ  1 ? 
ATOM   320  N  N   . SER A 1 44  ? 5.883   -9.436  2.223   1.000 14.678 0 44  SER A N   1 ? 
ATOM   321  C  CA  . SER A 1 44  ? 6.169   -9.941  3.559   1.000 16.627 0 44  SER A CA  1 ? 
ATOM   322  C  C   . SER A 1 44  ? 4.854   -10.395 4.176   1.000 15.541 0 44  SER A C   1 ? 
ATOM   323  O  O   . SER A 1 44  ? 3.809   -10.156 3.628   1.000 17.425 0 44  SER A O   1 ? 
ATOM   324  C  CB  . SER A 1 44  ? 6.854   -8.898  4.413   1.000 20.167 0 44  SER A CB  1 ? 
ATOM   325  O  OG  . SER A 1 44  ? 6.059   -7.736  4.393   1.000 21.057 0 44  SER A OG  1 ? 
ATOM   326  N  N   . GLY A 1 45  ? 4.914   -11.134 5.271   1.000 18.350 0 45  GLY A N   1 ? 
ATOM   327  C  CA  . GLY A 1 45  ? 3.680   -11.495 5.945   1.000 16.218 0 45  GLY A CA  1 ? 
ATOM   328  C  C   . GLY A 1 45  ? 2.978   -12.674 5.271   1.000 16.210 0 45  GLY A C   1 ? 
ATOM   329  O  O   . GLY A 1 45  ? 1.736   -12.733 5.301   1.000 20.209 0 45  GLY A O   1 ? 
ATOM   330  N  N   . ILE A 1 46  ? 3.755   -13.579 4.645   1.000 13.755 0 46  ILE A N   1 ? 
ATOM   331  C  CA  . ILE A 1 46  ? 3.117   -14.700 3.955   1.000 12.406 0 46  ILE A CA  1 ? 
ATOM   332  C  C   . ILE A 1 46  ? 2.826   -15.825 4.945   1.000 11.959 0 46  ILE A C   1 ? 
ATOM   333  O  O   . ILE A 1 46  ? 3.710   -16.262 5.680   1.000 11.336 0 46  ILE A O   1 ? 
ATOM   334  C  CB  . ILE A 1 46  ? 3.956   -15.198 2.750   1.000 13.972 0 46  ILE A CB  1 ? 
ATOM   335  C  CG1 . ILE A 1 46  ? 4.084   -14.076 1.722   1.000 16.356 0 46  ILE A CG1 1 ? 
ATOM   336  C  CG2 . ILE A 1 46  ? 3.383   -16.463 2.111   1.000 13.559 0 46  ILE A CG2 1 ? 
ATOM   337  C  CD1 . ILE A 1 46  ? 4.905   -14.467 0.501   1.000 18.032 0 46  ILE A CD1 1 ? 
ATOM   338  N  N   . GLN A 1 47  ? 1.584   -16.316 4.899   1.000 9.386  0 47  GLN A N   1 ? 
ATOM   339  C  CA  . GLN A 1 47  ? 1.224   -17.623 5.426   1.000 8.011  0 47  GLN A CA  1 ? 
ATOM   340  C  C   . GLN A 1 47  ? 1.005   -18.567 4.255   1.000 8.669  0 47  GLN A C   1 ? 
ATOM   341  O  O   . GLN A 1 47  ? 0.210   -18.283 3.341   1.000 7.883  0 47  GLN A O   1 ? 
ATOM   342  C  CB  . GLN A 1 47  ? -0.034  -17.575 6.291   1.000 8.043  0 47  GLN A CB  1 ? 
ATOM   343  C  CG  . GLN A 1 47  ? -0.287  -18.840 7.106   1.000 8.449  0 47  GLN A CG  1 ? 
ATOM   344  C  CD  . GLN A 1 47  ? -1.616  -18.770 7.828   1.000 9.839  0 47  GLN A CD  1 ? 
ATOM   345  O  OE1 . GLN A 1 47  ? -2.685  -18.559 7.230   1.000 10.998 0 47  GLN A OE1 1 ? 
ATOM   346  N  NE2 . GLN A 1 47  ? -1.534  -18.826 9.147   1.000 11.862 0 47  GLN A NE2 1 ? 
ATOM   347  N  N   . VAL A 1 48  ? 1.663   -19.724 4.331   1.000 8.151  0 48  VAL A N   1 ? 
ATOM   348  C  CA  . VAL A 1 48  ? 1.479   -20.779 3.347   1.000 8.101  0 48  VAL A CA  1 ? 
ATOM   349  C  C   . VAL A 1 48  ? 0.337   -21.678 3.773   1.000 7.606  0 48  VAL A C   1 ? 
ATOM   350  O  O   . VAL A 1 48  ? 0.311   -22.145 4.900   1.000 8.656  0 48  VAL A O   1 ? 
ATOM   351  C  CB  . VAL A 1 48  ? 2.764   -21.581 3.161   1.000 8.459  0 48  VAL A CB  1 ? 
ATOM   352  C  CG1 . VAL A 1 48  ? 2.537   -22.723 2.195   1.000 9.333  0 48  VAL A CG1 1 ? 
ATOM   353  C  CG2 . VAL A 1 48  ? 3.835   -20.649 2.612   1.000 8.669  0 48  VAL A CG2 1 ? 
ATOM   354  N  N   . ARG A 1 49  ? -0.631  -21.868 2.874   1.000 7.349  0 49  ARG A N   1 ? 
ATOM   355  C  CA  . ARG A 1 49  ? -1.745  -22.745 3.160   1.000 7.162  0 49  ARG A CA  1 ? 
ATOM   356  C  C   . ARG A 1 49  ? -1.744  -23.987 2.266   1.000 7.073  0 49  ARG A C   1 ? 
ATOM   357  O  O   . ARG A 1 49  ? -1.857  -23.889 1.031   1.000 7.084  0 49  ARG A O   1 ? 
ATOM   358  C  CB  . ARG A 1 49  ? -3.020  -21.932 3.014   1.000 7.095  0 49  ARG A CB  1 ? 
ATOM   359  C  CG  . ARG A 1 49  ? -3.049  -20.804 4.033   1.000 6.858  0 49  ARG A CG  1 ? 
ATOM   360  C  CD  . ARG A 1 49  ? -4.433  -20.164 4.112   1.000 7.819  0 49  ARG A CD  1 ? 
ATOM   361  N  NE  . ARG A 1 49  ? -4.494  -19.289 5.294   1.000 7.824  0 49  ARG A NE  1 ? 
ATOM   362  C  CZ  . ARG A 1 49  ? -5.628  -18.962 5.918   1.000 8.767  0 49  ARG A CZ  1 ? 
ATOM   363  N  NH1 . ARG A 1 49  ? -6.811  -19.206 5.324   1.000 8.928  0 49  ARG A NH1 1 ? 
ATOM   364  N  NH2 . ARG A 1 49  ? -5.539  -18.403 7.122   1.000 9.773  0 49  ARG A NH2 1 ? 
ATOM   365  N  N   . LEU A 1 50  ? -1.477  -25.108 2.929   1.000 7.289  0 50  LEU A N   1 ? 
ATOM   366  C  CA  . LEU A 1 50  ? -1.360  -26.409 2.284   1.000 8.236  0 50  LEU A CA  1 ? 
ATOM   367  C  C   . LEU A 1 50  ? -2.657  -27.169 2.495   1.000 8.204  0 50  LEU A C   1 ? 
ATOM   368  O  O   . LEU A 1 50  ? -3.422  -26.922 3.429   1.000 7.654  0 50  LEU A O   1 ? 
ATOM   369  C  CB  . LEU A 1 50  ? -0.169  -27.173 2.854   1.000 10.239 0 50  LEU A CB  1 ? 
ATOM   370  C  CG  . LEU A 1 50  ? 1.179   -26.446 2.797   1.000 12.925 0 50  LEU A CG  1 ? 
ATOM   371  C  CD1 . LEU A 1 50  ? 1.532   -25.867 4.147   1.000 16.645 0 50  LEU A CD1 1 ? 
ATOM   372  C  CD2 . LEU A 1 50  ? 2.252   -27.389 2.332   1.000 17.152 0 50  LEU A CD2 1 ? 
ATOM   373  N  N   . GLY A 1 51  ? -2.907  -28.173 1.653   1.000 8.297  0 51  GLY A N   1 ? 
ATOM   374  C  CA  . GLY A 1 51  ? -4.054  -29.017 1.891   1.000 8.097  0 51  GLY A CA  1 ? 
ATOM   375  C  C   . GLY A 1 51  ? -5.393  -28.340 1.588   1.000 8.321  0 51  GLY A C   1 ? 
ATOM   376  O  O   . GLY A 1 51  ? -6.428  -28.800 2.051   1.000 9.031  0 51  GLY A O   1 ? 
ATOM   377  N  N   . GLU A 1 52  ? -5.389  -27.259 0.799   1.000 7.186  0 52  GLU A N   1 ? 
ATOM   378  C  CA  . GLU A 1 52  ? -6.606  -26.487 0.581   1.000 7.148  0 52  GLU A CA  1 ? 
ATOM   379  C  C   . GLU A 1 52  ? -7.388  -27.049 -0.612  1.000 7.360  0 52  GLU A C   1 ? 
ATOM   380  O  O   . GLU A 1 52  ? -6.810  -27.361 -1.661  1.000 8.074  0 52  GLU A O   1 ? 
ATOM   381  C  CB  . GLU A 1 52  ? -6.259  -25.025 0.272   1.000 7.769  0 52  GLU A CB  1 ? 
ATOM   382  C  CG  . GLU A 1 52  ? -5.811  -24.177 1.458   1.000 7.615  0 52  GLU A CG  1 ? 
ATOM   383  C  CD  . GLU A 1 52  ? -6.985  -23.759 2.354   1.000 7.704  0 52  GLU A CD  1 ? 
ATOM   384  O  OE1 . GLU A 1 52  ? -8.066  -24.358 2.191   1.000 7.127  0 52  GLU A OE1 1 ? 
ATOM   385  O  OE2 . GLU A 1 52  ? -6.818  -22.790 3.145   1.000 8.129  0 52  GLU A OE2 1 ? 
ATOM   386  N  N   . ASP A 1 53  ? -8.729  -26.956 -0.506  1.000 6.776  0 53  ASP A N   1 ? 
ATOM   387  C  CA  . ASP A 1 53  ? -9.626  -27.002 -1.659  1.000 6.857  0 53  ASP A CA  1 ? 
ATOM   388  C  C   . ASP A 1 53  ? -10.393 -25.677 -1.619  1.000 6.835  0 53  ASP A C   1 ? 
ATOM   389  O  O   . ASP A 1 53  ? -9.995  -24.725 -2.283  1.000 7.550  0 53  ASP A O   1 ? 
ATOM   390  C  CB  . ASP A 1 53  ? -10.511 -28.238 -1.770  1.000 7.395  0 53  ASP A CB  1 ? 
ATOM   391  C  CG  . ASP A 1 53  ? -11.238 -28.272 -3.100  1.000 7.942  0 53  ASP A CG  1 ? 
ATOM   392  O  OD1 . ASP A 1 53  ? -10.592 -28.008 -4.144  1.000 8.877  0 53  ASP A OD1 1 ? 
ATOM   393  O  OD2 . ASP A 1 53  ? -12.462 -28.524 -3.094  1.000 8.935  0 53  ASP A OD2 1 ? 
ATOM   394  N  N   . ASN A 1 54  ? -11.482 -25.587 -0.839  1.000 6.528  0 54  ASN A N   1 ? 
ATOM   395  C  CA  . ASN A 1 54  ? -12.152 -24.335 -0.635  1.000 7.380  0 54  ASN A CA  1 ? 
ATOM   396  C  C   . ASN A 1 54  ? -11.312 -23.448 0.276   1.000 6.955  0 54  ASN A C   1 ? 
ATOM   397  O  O   . ASN A 1 54  ? -11.147 -23.700 1.453   1.000 7.040  0 54  ASN A O   1 ? 
ATOM   398  C  CB  . ASN A 1 54  ? -13.549 -24.585 -0.069  1.000 6.936  0 54  ASN A CB  1 ? 
ATOM   399  C  CG  . ASN A 1 54  ? -14.404 -23.361 -0.202  1.000 7.731  0 54  ASN A CG  1 ? 
ATOM   400  O  OD1 . ASN A 1 54  ? -13.969 -22.258 0.130   1.000 7.837  0 54  ASN A OD1 1 ? 
ATOM   401  N  ND2 . ASN A 1 54  ? -15.621 -23.499 -0.714  1.000 8.693  0 54  ASN A ND2 1 ? 
ATOM   402  N  N   . ILE A 1 55  ? -10.838 -22.314 -0.283  1.000 6.404  0 55  ILE A N   1 ? 
ATOM   403  C  CA  . ILE A 1 55  ? -9.971  -21.391 0.439   1.000 6.732  0 55  ILE A CA  1 ? 
ATOM   404  C  C   . ILE A 1 55  ? -10.749 -20.492 1.389   1.000 6.930  0 55  ILE A C   1 ? 
ATOM   405  O  O   . ILE A 1 55  ? -10.147 -19.829 2.235   1.000 7.755  0 55  ILE A O   1 ? 
ATOM   406  C  CB  . ILE A 1 55  ? -9.091  -20.535 -0.491  1.000 7.232  0 55  ILE A CB  1 ? 
ATOM   407  C  CG1 . ILE A 1 55  ? -9.885  -19.819 -1.584  1.000 8.054  0 55  ILE A CG1 1 ? 
ATOM   408  C  CG2 . ILE A 1 55  ? -7.929  -21.378 -1.010  1.000 7.240  0 55  ILE A CG2 1 ? 
ATOM   409  C  CD1 . ILE A 1 55  ? -9.115  -18.655 -2.212  1.000 8.360  0 55  ILE A CD1 1 ? 
ATOM   410  N  N   . ASN A 1 56  ? -12.070 -20.634 1.423   1.000 6.683  0 56  ASN A N   1 ? 
ATOM   411  C  CA  . ASN A 1 56  ? -12.889 -19.860 2.326   1.000 7.795  0 56  ASN A CA  1 ? 
ATOM   412  C  C   . ASN A 1 56  ? -13.583 -20.716 3.387   1.000 8.245  0 56  ASN A C   1 ? 
ATOM   413  O  O   . ASN A 1 56  ? -14.383 -20.182 4.138   1.000 8.928  0 56  ASN A O   1 ? 
ATOM   414  C  CB  . ASN A 1 56  ? -13.911 -19.058 1.515   1.000 8.488  0 56  ASN A CB  1 ? 
ATOM   415  C  CG  . ASN A 1 56  ? -13.331 -17.767 0.996   1.000 9.880  0 56  ASN A CG  1 ? 
ATOM   416  O  OD1 . ASN A 1 56  ? -12.578 -17.086 1.703   1.000 9.329  0 56  ASN A OD1 1 ? 
ATOM   417  N  ND2 . ASN A 1 56  ? -13.669 -17.417 -0.231  1.000 12.311 0 56  ASN A ND2 1 ? 
ATOM   418  N  N   . VAL A 1 57  ? -13.360 -22.037 3.400   1.000 8.118  0 57  VAL A N   1 ? 
ATOM   419  C  CA  . VAL A 1 57  ? -13.938 -22.956 4.369   1.000 8.969  0 57  VAL A CA  1 ? 
ATOM   420  C  C   . VAL A 1 57  ? -12.846 -23.862 4.911   1.000 8.690  0 57  VAL A C   1 ? 
ATOM   421  O  O   . VAL A 1 57  ? -12.073 -24.431 4.145   1.000 8.291  0 57  VAL A O   1 ? 
ATOM   422  C  CB  . VAL A 1 57  ? -15.049 -23.779 3.674   1.000 8.584  0 57  VAL A CB  1 ? 
ATOM   423  C  CG1 . VAL A 1 57  ? -15.728 -24.795 4.609   1.000 9.326  0 57  VAL A CG1 1 ? 
ATOM   424  C  CG2 . VAL A 1 57  ? -16.113 -22.883 3.017   1.000 8.607  0 57  VAL A CG2 1 ? 
ATOM   425  N  N   . VAL A 1 58  ? -12.833 -24.065 6.230   1.000 8.126  0 58  VAL A N   1 ? 
ATOM   426  C  CA  . VAL A 1 58  ? -11.952 -25.055 6.861   1.000 8.814  0 58  VAL A CA  1 ? 
ATOM   427  C  C   . VAL A 1 58  ? -12.617 -26.427 6.757   1.000 9.094  0 58  VAL A C   1 ? 
ATOM   428  O  O   . VAL A 1 58  ? -13.698 -26.663 7.317   1.000 10.281 0 58  VAL A O   1 ? 
ATOM   429  C  CB  . VAL A 1 58  ? -11.614 -24.735 8.320   1.000 9.801  0 58  VAL A CB  1 ? 
ATOM   430  C  CG1 . VAL A 1 58  ? -10.720 -25.809 8.960   1.000 10.298 0 58  VAL A CG1 1 ? 
ATOM   431  C  CG2 . VAL A 1 58  ? -11.034 -23.350 8.470   1.000 8.958  0 58  VAL A CG2 1 ? 
ATOM   432  N  N   . GLU A 1 59  ? -12.005 -27.279 5.915   1.000 7.993  0 59  GLU A N   1 ? 
ATOM   433  C  CA  . GLU A 1 59  ? -12.608 -28.531 5.501   1.000 9.644  0 59  GLU A CA  1 ? 
ATOM   434  C  C   . GLU A 1 59  ? -11.898 -29.713 6.144   1.000 10.257 0 59  GLU A C   1 ? 
ATOM   435  O  O   . GLU A 1 59  ? -12.414 -30.829 6.010   1.000 11.183 0 59  GLU A O   1 ? 
ATOM   436  C  CB  . GLU A 1 59  ? -12.665 -28.692 3.982   1.000 9.886  0 59  GLU A CB  1 ? 
ATOM   437  C  CG  . GLU A 1 59  ? -13.462 -27.617 3.253   1.000 10.069 0 59  GLU A CG  1 ? 
ATOM   438  C  CD  . GLU A 1 59  ? -13.456 -27.731 1.740   1.000 11.824 0 59  GLU A CD  1 ? 
ATOM   439  O  OE1 . GLU A 1 59  ? -12.356 -27.525 1.142   1.000 8.774  0 59  GLU A OE1 1 ? 
ATOM   440  O  OE2 . GLU A 1 59  ? -14.541 -27.922 1.113   1.000 14.144 0 59  GLU A OE2 1 ? 
ATOM   441  N  N   . GLY A 1 60  ? -10.720 -29.529 6.738   1.000 10.359 0 60  GLY A N   1 ? 
ATOM   442  C  CA  . GLY A 1 60  ? -10.145 -30.568 7.579   1.000 10.632 0 60  GLY A CA  1 ? 
ATOM   443  C  C   . GLY A 1 60  ? -8.781  -31.122 7.171   1.000 11.286 0 60  GLY A C   1 ? 
ATOM   444  O  O   . GLY A 1 60  ? -8.248  -31.967 7.898   1.000 13.433 0 60  GLY A O   1 ? 
ATOM   445  N  N   . ASN A 1 61  ? -8.238  -30.719 6.011   1.000 10.017 0 61  ASN A N   1 ? 
ATOM   446  C  CA  . ASN A 1 61  ? -6.952  -31.230 5.567   1.000 10.292 0 61  ASN A CA  1 ? 
ATOM   447  C  C   . ASN A 1 61  ? -5.908  -30.130 5.470   1.000 10.296 0 61  ASN A C   1 ? 
ATOM   448  O  O   . ASN A 1 61  ? -4.775  -30.381 5.056   1.000 10.829 0 61  ASN A O   1 ? 
ATOM   449  C  CB  . ASN A 1 61  ? -7.100  -31.982 4.257   1.000 10.750 0 61  ASN A CB  1 ? 
ATOM   450  C  CG  . ASN A 1 61  ? -7.917  -33.229 4.466   1.000 12.261 0 61  ASN A CG  1 ? 
ATOM   451  O  OD1 . ASN A 1 61  ? -7.454  -34.160 5.152   1.000 13.864 0 61  ASN A OD1 1 ? 
ATOM   452  N  ND2 . ASN A 1 61  ? -9.097  -33.257 3.881   1.000 13.753 0 61  ASN A ND2 1 ? 
ATOM   453  N  N   . GLU A 1 62  ? -6.285  -28.947 5.929   1.000 9.590  0 62  GLU A N   1 ? 
ATOM   454  C  CA  . GLU A 1 62  ? -5.385  -27.815 5.819   1.000 9.114  0 62  GLU A CA  1 ? 
ATOM   455  C  C   . GLU A 1 62  ? -4.197  -27.929 6.775   1.000 9.186  0 62  GLU A C   1 ? 
ATOM   456  O  O   . GLU A 1 62  ? -4.292  -28.415 7.904   1.000 10.228 0 62  GLU A O   1 ? 
ATOM   457  C  CB  . GLU A 1 62  ? -6.027  -26.464 6.107   1.000 8.770  0 62  GLU A CB  1 ? 
ATOM   458  C  CG  . GLU A 1 62  ? -7.188  -26.131 5.169   1.000 8.805  0 62  GLU A CG  1 ? 
ATOM   459  C  CD  . GLU A 1 62  ? -8.590  -26.589 5.578   1.000 8.726  0 62  GLU A CD  1 ? 
ATOM   460  O  OE1 . GLU A 1 62  ? -8.714  -27.459 6.460   1.000 9.076  0 62  GLU A OE1 1 ? 
ATOM   461  O  OE2 . GLU A 1 62  ? -9.553  -26.150 4.942   1.000 8.009  0 62  GLU A OE2 1 ? 
ATOM   462  N  N   . GLN A 1 63  ? -3.080  -27.346 6.322   1.000 8.443  0 63  GLN A N   1 ? 
ATOM   463  C  CA  . GLN A 1 63  ? -1.968  -26.976 7.199   1.000 8.537  0 63  GLN A CA  1 ? 
ATOM   464  C  C   . GLN A 1 63  ? -1.575  -25.543 6.887   1.000 9.259  0 63  GLN A C   1 ? 
ATOM   465  O  O   . GLN A 1 63  ? -1.315  -25.229 5.751   1.000 8.069  0 63  GLN A O   1 ? 
ATOM   466  C  CB  . GLN A 1 63  ? -0.763  -27.889 7.025   1.000 9.482  0 63  GLN A CB  1 ? 
ATOM   467  C  CG  . GLN A 1 63  ? -1.043  -29.348 7.360   1.000 9.658  0 63  GLN A CG  1 ? 
ATOM   468  C  CD  . GLN A 1 63  ? 0.133   -30.260 7.082   1.000 10.451 0 63  GLN A CD  1 ? 
ATOM   469  O  OE1 . GLN A 1 63  ? 1.265   -29.965 7.497   1.000 11.528 0 63  GLN A OE1 1 ? 
ATOM   470  N  NE2 . GLN A 1 63  ? -0.164  -31.376 6.438   1.000 10.363 0 63  GLN A NE2 1 ? 
ATOM   471  N  N   . PHE A 1 64  ? -1.587  -24.678 7.907   1.000 9.322  0 64  PHE A N   1 ? 
ATOM   472  C  CA  . PHE A 1 64  ? -1.264  -23.270 7.730   1.000 9.842  0 64  PHE A CA  1 ? 
ATOM   473  C  C   . PHE A 1 64  ? 0.061   -23.014 8.433   1.000 10.861 0 64  PHE A C   1 ? 
ATOM   474  O  O   . PHE A 1 64  ? 0.160   -23.276 9.632   1.000 11.532 0 64  PHE A O   1 ? 
ATOM   475  C  CB  . PHE A 1 64  ? -2.323  -22.403 8.396   1.000 9.967  0 64  PHE A CB  1 ? 
ATOM   476  C  CG  . PHE A 1 64  ? -3.732  -22.425 7.836   1.000 10.173 0 64  PHE A CG  1 ? 
ATOM   477  C  CD1 . PHE A 1 64  ? -4.081  -23.030 6.645   1.000 10.292 0 64  PHE A CD1 1 ? 
ATOM   478  C  CD2 . PHE A 1 64  ? -4.706  -21.691 8.490   1.000 11.488 0 64  PHE A CD2 1 ? 
ATOM   479  C  CE1 . PHE A 1 64  ? -5.387  -22.934 6.165   1.000 9.830  0 64  PHE A CE1 1 ? 
ATOM   480  C  CE2 . PHE A 1 64  ? -5.987  -21.611 8.015   1.000 11.215 0 64  PHE A CE2 1 ? 
ATOM   481  C  CZ  . PHE A 1 64  ? -6.339  -22.282 6.891   1.000 11.586 0 64  PHE A CZ  1 ? 
ATOM   482  N  N   . ILE A 1 65  ? 1.072   -22.556 7.681   1.000 9.042  0 65  ILE A N   1 ? 
ATOM   483  C  CA  . ILE A 1 65  ? 2.428   -22.461 8.207   1.000 9.164  0 65  ILE A CA  1 ? 
ATOM   484  C  C   . ILE A 1 65  ? 3.011   -21.142 7.724   1.000 8.540  0 65  ILE A C   1 ? 
ATOM   485  O  O   . ILE A 1 65  ? 3.020   -20.870 6.533   1.000 9.617  0 65  ILE A O   1 ? 
ATOM   486  C  CB  . ILE A 1 65  ? 3.312   -23.644 7.768   1.000 8.716  0 65  ILE A CB  1 ? 
ATOM   487  C  CG1 . ILE A 1 65  ? 2.705   -25.005 8.159   1.000 9.244  0 65  ILE A CG1 1 ? 
ATOM   488  C  CG2 . ILE A 1 65  ? 4.711   -23.452 8.371   1.000 8.845  0 65  ILE A CG2 1 ? 
ATOM   489  C  CD1 . ILE A 1 65  ? 3.423   -26.207 7.602   1.000 9.281  0 65  ILE A CD1 1 ? 
ATOM   490  N  N   . SER A 1 66  ? 3.482   -20.292 8.646   1.000 9.858  0 66  SER A N   1 ? 
ATOM   491  C  CA  . SER A 1 66  ? 4.102   -19.024 8.268   1.000 10.889 0 66  SER A CA  1 ? 
ATOM   492  C  C   . SER A 1 66  ? 5.424   -19.253 7.520   1.000 9.989  0 66  SER A C   1 ? 
ATOM   493  O  O   . SER A 1 66  ? 6.180   -20.181 7.802   1.000 10.663 0 66  SER A O   1 ? 
ATOM   494  C  CB  . SER A 1 66  ? 4.396   -18.189 9.470   1.000 12.818 0 66  SER A CB  1 ? 
ATOM   495  O  OG  . SER A 1 66  ? 3.205   -17.867 10.157  1.000 15.010 0 66  SER A OG  1 ? 
ATOM   496  N  N   . ALA A 1 67  ? 5.694   -18.356 6.583   1.000 10.937 0 67  ALA A N   1 ? 
ATOM   497  C  CA  . ALA A 1 67  ? 7.007   -18.316 5.953   1.000 11.579 0 67  ALA A CA  1 ? 
ATOM   498  C  C   . ALA A 1 67  ? 8.020   -17.773 6.962   1.000 12.877 0 67  ALA A C   1 ? 
ATOM   499  O  O   . ALA A 1 67  ? 7.768   -16.754 7.620   1.000 14.629 0 67  ALA A O   1 ? 
ATOM   500  C  CB  . ALA A 1 67  ? 6.987   -17.475 4.706   1.000 11.822 0 67  ALA A CB  1 ? 
ATOM   501  N  N   . SER A 1 68  ? 9.197   -18.394 7.015   1.000 12.484 0 68  SER A N   1 ? 
ATOM   502  C  CA  . SER A 1 68  ? 10.310  -17.880 7.810   1.000 13.629 0 68  SER A CA  1 ? 
ATOM   503  C  C   . SER A 1 68  ? 11.264  -17.060 6.957   1.000 12.453 0 68  SER A C   1 ? 
ATOM   504  O  O   . SER A 1 68  ? 11.958  -16.205 7.486   1.000 11.287 0 68  SER A O   1 ? 
ATOM   505  C  CB  . SER A 1 68  ? 11.109  -18.971 8.453   1.000 14.530 0 68  SER A CB  1 ? 
ATOM   506  O  OG  . SER A 1 68  ? 11.531  -19.928 7.498   1.000 15.604 0 68  SER A OG  1 ? 
ATOM   507  N  N   . LYS A 1 69  ? 11.323  -17.340 5.657   1.000 11.341 0 69  LYS A N   1 ? 
ATOM   508  C  CA  . LYS A 1 69  ? 12.257  -16.639 4.779   1.000 12.888 0 69  LYS A CA  1 ? 
ATOM   509  C  C   . LYS A 1 69  ? 11.745  -16.706 3.351   1.000 11.370 0 69  LYS A C   1 ? 
ATOM   510  O  O   . LYS A 1 69  ? 11.203  -17.720 2.947   1.000 12.543 0 69  LYS A O   1 ? 
ATOM   511  C  CB  . LYS A 1 69  ? 13.638  -17.301 4.899   1.000 15.958 0 69  LYS A CB  1 ? 
ATOM   512  C  CG  . LYS A 1 69  ? 14.705  -16.816 3.949   1.000 20.054 0 69  LYS A CG  1 ? 
ATOM   513  C  CD  . LYS A 1 69  ? 16.021  -17.590 4.012   1.000 20.748 0 69  LYS A CD  1 ? 
ATOM   514  C  CE  . LYS A 1 69  ? 16.714  -17.489 5.317   1.000 21.946 0 69  LYS A CE  1 ? 
ATOM   515  N  NZ  . LYS A 1 69  ? 18.140  -17.821 5.233   1.000 21.465 0 69  LYS A NZ  1 ? 
ATOM   516  N  N   . SER A 1 70  ? 11.906  -15.627 2.586   1.000 10.532 0 70  SER A N   1 ? 
ATOM   517  C  CA  . SER A 1 70  ? 11.609  -15.617 1.166   1.000 11.247 0 70  SER A CA  1 ? 
ATOM   518  C  C   . SER A 1 70  ? 12.899  -15.279 0.415   1.000 10.360 0 70  SER A C   1 ? 
ATOM   519  O  O   . SER A 1 70  ? 13.707  -14.496 0.934   1.000 10.253 0 70  SER A O   1 ? 
ATOM   520  C  CB  . SER A 1 70  ? 10.530  -14.636 0.875   1.000 14.349 0 70  SER A CB  1 ? 
ATOM   521  O  OG  . SER A 1 70  ? 9.341   -15.138 1.469   1.000 18.195 0 70  SER A OG  1 ? 
ATOM   522  N  N   . ILE A 1 71  ? 13.121  -15.946 -0.714  1.000 7.804  0 71  ILE A N   1 ? 
ATOM   523  C  CA  . ILE A 1 71  ? 14.300  -15.714 -1.546  1.000 7.427  0 71  ILE A CA  1 ? 
ATOM   524  C  C   . ILE A 1 71  ? 13.876  -15.529 -3.006  1.000 7.427  0 71  ILE A C   1 ? 
ATOM   525  O  O   . ILE A 1 71  ? 13.562  -16.489 -3.708  1.000 7.520  0 71  ILE A O   1 ? 
ATOM   526  C  CB  . ILE A 1 71  ? 15.332  -16.852 -1.446  1.000 8.009  0 71  ILE A CB  1 ? 
ATOM   527  C  CG1 . ILE A 1 71  ? 15.702  -17.142 0.010   1.000 8.670  0 71  ILE A CG1 1 ? 
ATOM   528  C  CG2 . ILE A 1 71  ? 16.570  -16.533 -2.307  1.000 8.173  0 71  ILE A CG2 1 ? 
ATOM   529  C  CD1 . ILE A 1 71  ? 16.607  -18.322 0.209   1.000 9.933  0 71  ILE A CD1 1 ? 
ATOM   530  N  N   . VAL A 1 72  ? 13.825  -14.271 -3.439  1.000 7.252  0 72  VAL A N   1 ? 
ATOM   531  C  CA  . VAL A 1 72  ? 13.604  -13.961 -4.835  1.000 7.092  0 72  VAL A CA  1 ? 
ATOM   532  C  C   . VAL A 1 72  ? 14.877  -14.282 -5.591  1.000 7.000  0 72  VAL A C   1 ? 
ATOM   533  O  O   . VAL A 1 72  ? 15.984  -14.089 -5.091  1.000 7.289  0 72  VAL A O   1 ? 
ATOM   534  C  CB  . VAL A 1 72  ? 13.217  -12.467 -4.897  1.000 7.311  0 72  VAL A CB  1 ? 
ATOM   535  C  CG1 . VAL A 1 72  ? 13.298  -11.923 -6.323  1.000 7.993  0 72  VAL A CG1 1 ? 
ATOM   536  C  CG2 . VAL A 1 72  ? 11.833  -12.237 -4.310  1.000 6.914  0 72  VAL A CG2 1 ? 
ATOM   537  N  N   . HIS A 1 73  ? 14.719  -14.811 -6.799  1.000 6.738  0 73  HIS A N   1 ? 
ATOM   538  C  CA  . HIS A 1 73  ? 15.849  -15.156 -7.643  1.000 7.009  0 73  HIS A CA  1 ? 
ATOM   539  C  C   . HIS A 1 73  ? 16.816  -13.968 -7.693  1.000 7.309  0 73  HIS A C   1 ? 
ATOM   540  O  O   . HIS A 1 73  ? 16.394  -12.797 -7.835  1.000 7.555  0 73  HIS A O   1 ? 
ATOM   541  C  CB  . HIS A 1 73  ? 15.414  -15.523 -9.064  1.000 7.711  0 73  HIS A CB  1 ? 
ATOM   542  C  CG  . HIS A 1 73  ? 16.524  -16.180 -9.799  1.000 8.259  0 73  HIS A CG  1 ? 
ATOM   543  N  ND1 . HIS A 1 73  ? 17.481  -15.526 -10.565 1.000 9.118  0 73  HIS A ND1 1 ? 
ATOM   544  C  CD2 . HIS A 1 73  ? 16.843  -17.505 -9.856  1.000 8.250  0 73  HIS A CD2 1 ? 
ATOM   545  C  CE1 . HIS A 1 73  ? 18.359  -16.412 -11.004 1.000 8.749  0 73  HIS A CE1 1 ? 
ATOM   546  N  NE2 . HIS A 1 73  ? 17.974  -17.627 -10.604 1.000 9.383  0 73  HIS A NE2 1 ? 
ATOM   547  N  N   . PRO A 1 74  ? 18.141  -14.194 -7.628  1.000 8.050  0 74  PRO A N   1 ? 
ATOM   548  C  CA  . PRO A 1 74  ? 19.102  -13.090 -7.656  1.000 8.042  0 74  PRO A CA  1 ? 
ATOM   549  C  C   . PRO A 1 74  ? 18.966  -12.168 -8.862  1.000 7.859  0 74  PRO A C   1 ? 
ATOM   550  O  O   . PRO A 1 74  ? 19.215  -10.980 -8.693  1.000 7.792  0 74  PRO A O   1 ? 
ATOM   551  C  CB  . PRO A 1 74  ? 20.472  -13.796 -7.710  1.000 8.891  0 74  PRO A CB  1 ? 
ATOM   552  C  CG  . PRO A 1 74  ? 20.148  -15.178 -8.034  1.000 9.562  0 74  PRO A CG  1 ? 
ATOM   553  C  CD  . PRO A 1 74  ? 18.797  -15.491 -7.383  1.000 8.177  0 74  PRO A CD  1 ? 
ATOM   554  N  N   . SER A 1 75  ? 18.566  -12.719 -10.018 1.000 7.535  0 75  SER A N   1 ? 
ATOM   555  C  CA  . SER A 1 75  ? 18.479  -12.005 -11.290 1.000 8.504  0 75  SER A CA  1 ? 
ATOM   556  C  C   . SER A 1 75  ? 17.052  -11.650 -11.696 1.000 7.813  0 75  SER A C   1 ? 
ATOM   557  O  O   . SER A 1 75  ? 16.810  -11.271 -12.855 1.000 7.432  0 75  SER A O   1 ? 
ATOM   558  C  CB  . SER A 1 75  ? 19.157  -12.844 -12.358 1.000 9.560  0 75  SER A CB  1 ? 
ATOM   559  O  OG  . SER A 1 75  ? 20.515  -12.996 -11.953 1.000 11.155 0 75  SER A OG  1 ? 
ATOM   560  N  N   . TYR A 1 76  ? 16.101  -11.718 -10.760 1.000 6.849  0 76  TYR A N   1 ? 
ATOM   561  C  CA  . TYR A 1 76  ? 14.732  -11.335 -11.098 1.000 7.020  0 76  TYR A CA  1 ? 
ATOM   562  C  C   . TYR A 1 76  ? 14.694  -9.876  -11.588 1.000 7.485  0 76  TYR A C   1 ? 
ATOM   563  O  O   . TYR A 1 76  ? 15.244  -8.982  -10.895 1.000 8.448  0 76  TYR A O   1 ? 
ATOM   564  C  CB  . TYR A 1 76  ? 13.820  -11.469 -9.887  1.000 6.555  0 76  TYR A CB  1 ? 
ATOM   565  C  CG  . TYR A 1 76  ? 12.416  -10.916 -10.121 1.000 6.299  0 76  TYR A CG  1 ? 
ATOM   566  C  CD1 . TYR A 1 76  ? 11.638  -11.393 -11.153 1.000 6.602  0 76  TYR A CD1 1 ? 
ATOM   567  C  CD2 . TYR A 1 76  ? 11.866  -9.967  -9.244  1.000 6.350  0 76  TYR A CD2 1 ? 
ATOM   568  C  CE1 . TYR A 1 76  ? 10.358  -10.927 -11.344 1.000 6.596  0 76  TYR A CE1 1 ? 
ATOM   569  C  CE2 . TYR A 1 76  ? 10.563  -9.528  -9.409  1.000 6.405  0 76  TYR A CE2 1 ? 
ATOM   570  C  CZ  . TYR A 1 76  ? 9.820   -9.995  -10.478 1.000 7.001  0 76  TYR A CZ  1 ? 
ATOM   571  O  OH  . TYR A 1 76  ? 8.558   -9.577  -10.701 1.000 7.308  0 76  TYR A OH  1 ? 
ATOM   572  N  N   . ASN A 1 77  ? 14.046  -9.669  -12.750 1.000 7.747  0 77  ASN A N   1 ? 
ATOM   573  C  CA  . ASN A 1 77  ? 13.759  -8.342  -13.302 1.000 7.970  0 77  ASN A CA  1 ? 
ATOM   574  C  C   . ASN A 1 77  ? 12.243  -8.139  -13.359 1.000 7.778  0 77  ASN A C   1 ? 
ATOM   575  O  O   . ASN A 1 77  ? 11.555  -8.836  -14.085 1.000 7.610  0 77  ASN A O   1 ? 
ATOM   576  C  CB  . ASN A 1 77  ? 14.418  -8.172  -14.667 1.000 8.812  0 77  ASN A CB  1 ? 
ATOM   577  C  CG  . ASN A 1 77  ? 14.180  -6.793  -15.221 1.000 9.611  0 77  ASN A CG  1 ? 
ATOM   578  O  OD1 . ASN A 1 77  ? 13.056  -6.317  -15.172 1.000 9.643  0 77  ASN A OD1 1 ? 
ATOM   579  N  ND2 . ASN A 1 77  ? 15.228  -6.114  -15.648 1.000 11.968 0 77  ASN A ND2 1 ? 
ATOM   580  N  N   . SER A 1 78  ? 11.709  -7.263  -12.497 1.000 7.232  0 78  SER A N   1 ? 
ATOM   581  C  CA  . SER A 1 78  ? 10.266  -7.064  -12.410 1.000 7.442  0 78  SER A CA  1 ? 
ATOM   582  C  C   . SER A 1 78  ? 9.670   -6.364  -13.631 1.000 8.474  0 78  SER A C   1 ? 
ATOM   583  O  O   . SER A 1 78  ? 8.448   -6.381  -13.796 1.000 10.328 0 78  SER A O   1 ? 
ATOM   584  C  CB  . SER A 1 78  ? 9.925   -6.316  -11.158 1.000 7.746  0 78  SER A CB  1 ? 
ATOM   585  O  OG  . SER A 1 78  ? 10.581  -5.067  -11.081 1.000 9.620  0 78  SER A OG  1 ? 
ATOM   586  N  N   . ASN A 1 79  ? 10.503  -5.670  -14.407 1.000 8.102  0 79  ASN A N   1 ? 
ATOM   587  C  CA  . ASN A 1 79  ? 10.037  -5.016  -15.629 1.000 8.268  0 79  ASN A CA  1 ? 
ATOM   588  C  C   . ASN A 1 79  ? 9.773   -6.015  -16.757 1.000 8.956  0 79  ASN A C   1 ? 
ATOM   589  O  O   . ASN A 1 79  ? 8.722   -5.948  -17.423 1.000 10.581 0 79  ASN A O   1 ? 
ATOM   590  C  CB  . ASN A 1 79  ? 10.995  -3.911  -16.046 1.000 8.396  0 79  ASN A CB  1 ? 
ATOM   591  C  CG  . ASN A 1 79  ? 11.023  -2.784  -15.039 1.000 8.336  0 79  ASN A CG  1 ? 
ATOM   592  O  OD1 . ASN A 1 79  ? 9.977   -2.443  -14.464 1.000 10.410 0 79  ASN A OD1 1 ? 
ATOM   593  N  ND2 . ASN A 1 79  ? 12.191  -2.216  -14.826 1.000 10.178 0 79  ASN A ND2 1 ? 
ATOM   594  N  N   . THR A 1 80  ? 10.706  -6.954  -16.965 1.000 7.802  0 80  THR A N   1 ? 
ATOM   595  C  CA  . THR A 1 80  ? 10.615  -7.954  -18.032 1.000 8.030  0 80  THR A CA  1 ? 
ATOM   596  C  C   . THR A 1 80  ? 10.022  -9.277  -17.573 1.000 8.726  0 80  THR A C   1 ? 
ATOM   597  O  O   . THR A 1 80  ? 9.582   -10.072 -18.412 1.000 8.366  0 80  THR A O   1 ? 
ATOM   598  C  CB  . THR A 1 80  ? 11.991  -8.210  -18.609 1.000 7.696  0 80  THR A CB  1 ? 
ATOM   599  O  OG1 . THR A 1 80  ? 12.794  -8.790  -17.592 1.000 7.707  0 80  THR A OG1 1 ? 
ATOM   600  C  CG2 . THR A 1 80  ? 12.622  -6.945  -19.150 1.000 7.362  0 80  THR A CG2 1 ? 
ATOM   601  N  N   . LEU A 1 81  ? 9.955   -9.472  -16.261 1.000 8.139  0 81  LEU A N   1 ? 
ATOM   602  C  CA  . LEU A 1 81  ? 9.600   -10.727 -15.599 1.000 8.177  0 81  LEU A CA  1 ? 
ATOM   603  C  C   . LEU A 1 81  ? 10.611  -11.837 -15.919 1.000 7.541  0 81  LEU A C   1 ? 
ATOM   604  O  O   . LEU A 1 81  ? 10.313  -13.010 -15.731 1.000 7.264  0 81  LEU A O   1 ? 
ATOM   605  C  CB  . LEU A 1 81  ? 8.149   -11.127 -15.874 1.000 9.127  0 81  LEU A CB  1 ? 
ATOM   606  C  CG  . LEU A 1 81  ? 7.133   -10.094 -15.367 1.000 10.810 0 81  LEU A CG  1 ? 
ATOM   607  C  CD1 . LEU A 1 81  ? 5.726   -10.553 -15.694 1.000 12.364 0 81  LEU A CD1 1 ? 
ATOM   608  C  CD2 . LEU A 1 81  ? 7.252   -9.819  -13.875 1.000 11.725 0 81  LEU A CD2 1 ? 
ATOM   609  N  N   . ASN A 1 82  ? 11.820  -11.513 -16.372 1.000 7.358  0 82  ASN A N   1 ? 
ATOM   610  C  CA  . ASN A 1 82  ? 12.825  -12.549 -16.521 1.000 7.330  0 82  ASN A CA  1 ? 
ATOM   611  C  C   . ASN A 1 82  ? 13.223  -13.052 -15.136 1.000 7.129  0 82  ASN A C   1 ? 
ATOM   612  O  O   . ASN A 1 82  ? 13.413  -12.267 -14.205 1.000 7.993  0 82  ASN A O   1 ? 
ATOM   613  C  CB  . ASN A 1 82  ? 14.051  -11.994 -17.225 1.000 6.878  0 82  ASN A CB  1 ? 
ATOM   614  C  CG  . ASN A 1 82  ? 14.918  -13.058 -17.831 1.000 7.872  0 82  ASN A CG  1 ? 
ATOM   615  O  OD1 . ASN A 1 82  ? 14.461  -14.171 -18.109 1.000 7.262  0 82  ASN A OD1 1 ? 
ATOM   616  N  ND2 . ASN A 1 82  ? 16.182  -12.723 -18.057 1.000 8.718  0 82  ASN A ND2 1 ? 
ATOM   617  N  N   . ASN A 1 83  ? 13.355  -14.380 -15.033 1.000 6.663  0 83  ASN A N   1 ? 
ATOM   618  C  CA  . ASN A 1 83  ? 13.688  -15.074 -13.797 1.000 6.804  0 83  ASN A CA  1 ? 
ATOM   619  C  C   . ASN A 1 83  ? 12.591  -14.891 -12.741 1.000 6.865  0 83  ASN A C   1 ? 
ATOM   620  O  O   . ASN A 1 83  ? 12.893  -14.598 -11.603 1.000 7.118  0 83  ASN A O   1 ? 
ATOM   621  C  CB  . ASN A 1 83  ? 15.025  -14.642 -13.221 1.000 7.097  0 83  ASN A CB  1 ? 
ATOM   622  C  CG  . ASN A 1 83  ? 16.154  -14.747 -14.223 1.000 7.391  0 83  ASN A CG  1 ? 
ATOM   623  O  OD1 . ASN A 1 83  ? 16.537  -15.840 -14.676 1.000 7.712  0 83  ASN A OD1 1 ? 
ATOM   624  N  ND2 . ASN A 1 83  ? 16.660  -13.607 -14.658 1.000 8.054  0 83  ASN A ND2 1 ? 
ATOM   625  N  N   . ASP A 1 84  ? 11.325  -15.121 -13.123 1.000 6.597  0 84  ASP A N   1 ? 
ATOM   626  C  CA  . ASP A 1 84  ? 10.176  -14.926 -12.247 1.000 6.037  0 84  ASP A CA  1 ? 
ATOM   627  C  C   . ASP A 1 84  ? 9.972   -16.166 -11.382 1.000 5.571  0 84  ASP A C   1 ? 
ATOM   628  O  O   . ASP A 1 84  ? 9.055   -16.976 -11.594 1.000 5.455  0 84  ASP A O   1 ? 
ATOM   629  C  CB  . ASP A 1 84  ? 8.924   -14.525 -13.019 1.000 6.231  0 84  ASP A CB  1 ? 
ATOM   630  C  CG  . ASP A 1 84  ? 7.747   -14.084 -12.154 1.000 6.404  0 84  ASP A CG  1 ? 
ATOM   631  O  OD1 . ASP A 1 84  ? 7.996   -13.784 -10.967 1.000 7.035  0 84  ASP A OD1 1 ? 
ATOM   632  O  OD2 . ASP A 1 84  ? 6.590   -13.988 -12.704 1.000 6.849  0 84  ASP A OD2 1 ? 
ATOM   633  N  N   . ILE A 1 85  ? 10.822  -16.246 -10.363 1.000 5.845  0 85  ILE A N   1 ? 
ATOM   634  C  CA  . ILE A 1 85  ? 10.828  -17.402 -9.476  1.000 6.119  0 85  ILE A CA  1 ? 
ATOM   635  C  C   . ILE A 1 85  ? 11.293  -16.949 -8.097  1.000 6.396  0 85  ILE A C   1 ? 
ATOM   636  O  O   . ILE A 1 85  ? 12.221  -16.131 -7.994  1.000 5.714  0 85  ILE A O   1 ? 
ATOM   637  C  CB  . ILE A 1 85  ? 11.653  -18.544 -10.081 1.000 6.412  0 85  ILE A CB  1 ? 
ATOM   638  C  CG1 . ILE A 1 85  ? 11.556  -19.802 -9.226  1.000 6.915  0 85  ILE A CG1 1 ? 
ATOM   639  C  CG2 . ILE A 1 85  ? 13.131  -18.186 -10.334 1.000 6.297  0 85  ILE A CG2 1 ? 
ATOM   640  C  CD1 . ILE A 1 85  ? 12.152  -21.036 -9.880  1.000 7.163  0 85  ILE A CD1 1 ? 
ATOM   641  N  N   . MET A 1 86  ? 10.737  -17.568 -7.056  1.000 6.270  0 86  MET A N   1 ? 
ATOM   642  C  CA  . MET A 1 86  ? 11.136  -17.294 -5.682  1.000 7.173  0 86  MET A CA  1 ? 
ATOM   643  C  C   . MET A 1 86  ? 10.907  -18.560 -4.859  1.000 6.982  0 86  MET A C   1 ? 
ATOM   644  O  O   . MET A 1 86  ? 10.029  -19.363 -5.181  1.000 6.806  0 86  MET A O   1 ? 
ATOM   645  C  CB  . MET A 1 86  ? 10.363  -16.101 -5.074  1.000 8.805  0 86  MET A CB  1 ? 
ATOM   646  C  CG  . MET A 1 86  ? 8.970   -16.380 -4.661  1.000 10.873 0 86  MET A CG  1 ? 
ATOM   647  S  SD  . MET A 1 86  ? 8.241   -14.987 -3.761  1.000 16.284 0 86  MET A SD  1 ? 
ATOM   648  C  CE  . MET A 1 86  ? 9.377   -14.484 -2.537  1.000 17.422 0 86  MET A CE  1 ? 
ATOM   649  N  N   . LEU A 1 87  ? 11.723  -18.743 -3.826  1.000 6.709  0 87  LEU A N   1 ? 
ATOM   650  C  CA  . LEU A 1 87  ? 11.590  -19.828 -2.857  1.000 6.651  0 87  LEU A CA  1 ? 
ATOM   651  C  C   . LEU A 1 87  ? 11.102  -19.257 -1.531  1.000 7.363  0 87  LEU A C   1 ? 
ATOM   652  O  O   . LEU A 1 87  ? 11.484  -18.140 -1.142  1.000 8.025  0 87  LEU A O   1 ? 
ATOM   653  C  CB  . LEU A 1 87  ? 12.933  -20.513 -2.644  1.000 7.342  0 87  LEU A CB  1 ? 
ATOM   654  C  CG  . LEU A 1 87  ? 13.379  -21.404 -3.789  1.000 7.981  0 87  LEU A CG  1 ? 
ATOM   655  C  CD1 . LEU A 1 87  ? 14.852  -21.736 -3.681  1.000 8.604  0 87  LEU A CD1 1 ? 
ATOM   656  C  CD2 . LEU A 1 87  ? 12.551  -22.652 -3.791  1.000 8.538  0 87  LEU A CD2 1 ? 
ATOM   657  N  N   . ILE A 1 88  ? 10.255  -20.041 -0.860  1.000 7.453  0 88  ILE A N   1 ? 
ATOM   658  C  CA  . ILE A 1 88  ? 9.738   -19.677 0.435   1.000 7.553  0 88  ILE A CA  1 ? 
ATOM   659  C  C   . ILE A 1 88  ? 10.048  -20.846 1.371   1.000 7.660  0 88  ILE A C   1 ? 
ATOM   660  O  O   . ILE A 1 88  ? 9.623   -21.978 1.090   1.000 7.582  0 88  ILE A O   1 ? 
ATOM   661  C  CB  . ILE A 1 88  ? 8.234   -19.411 0.361   1.000 8.342  0 88  ILE A CB  1 ? 
ATOM   662  C  CG1 . ILE A 1 88  ? 7.927   -18.263 -0.630  1.000 8.239  0 88  ILE A CG1 1 ? 
ATOM   663  C  CG2 . ILE A 1 88  ? 7.717   -19.108 1.776   1.000 9.438  0 88  ILE A CG2 1 ? 
ATOM   664  C  CD1 . ILE A 1 88  ? 6.448   -18.105 -0.894  1.000 9.874  0 88  ILE A CD1 1 ? 
ATOM   665  N  N   . LYS A 1 89  ? 10.732  -20.559 2.481   1.000 7.801  0 89  LYS A N   1 ? 
ATOM   666  C  CA  . LYS A 1 89  ? 10.966  -21.575 3.499   1.000 8.768  0 89  LYS A CA  1 ? 
ATOM   667  C  C   . LYS A 1 89  ? 9.880   -21.421 4.566   1.000 8.763  0 89  LYS A C   1 ? 
ATOM   668  O  O   . LYS A 1 89  ? 9.562   -20.304 5.006   1.000 9.839  0 89  LYS A O   1 ? 
ATOM   669  C  CB  . LYS A 1 89  ? 12.355  -21.414 4.117   1.000 9.114  0 89  LYS A CB  1 ? 
ATOM   670  C  CG  . LYS A 1 89  ? 12.742  -22.587 5.027   1.000 10.053 0 89  LYS A CG  1 ? 
ATOM   671  C  CD  . LYS A 1 89  ? 14.139  -22.510 5.630   1.000 11.368 0 89  LYS A CD  1 ? 
ATOM   672  C  CE  . LYS A 1 89  ? 14.399  -23.718 6.511   1.000 12.177 0 89  LYS A CE  1 ? 
ATOM   673  N  NZ  . LYS A 1 89  ? 15.642  -23.598 7.286   1.000 13.341 0 89  LYS A NZ  1 ? 
ATOM   674  N  N   . LEU A 1 90  ? 9.354   -22.564 5.014   1.000 9.488  0 90  LEU A N   1 ? 
ATOM   675  C  CA  . LEU A 1 90  ? 8.302   -22.653 6.027   1.000 10.918 0 90  LEU A CA  1 ? 
ATOM   676  C  C   . LEU A 1 90  ? 8.940   -22.640 7.414   1.000 11.219 0 90  LEU A C   1 ? 
ATOM   677  O  O   . LEU A 1 90  ? 10.037  -23.179 7.587   1.000 10.670 0 90  LEU A O   1 ? 
ATOM   678  C  CB  . LEU A 1 90  ? 7.497   -23.932 5.842   1.000 11.009 0 90  LEU A CB  1 ? 
ATOM   679  C  CG  . LEU A 1 90  ? 6.834   -24.125 4.477   1.000 11.443 0 90  LEU A CG  1 ? 
ATOM   680  C  CD1 . LEU A 1 90  ? 5.980   -25.380 4.435   1.000 11.655 0 90  LEU A CD1 1 ? 
ATOM   681  C  CD2 . LEU A 1 90  ? 6.051   -22.914 4.101   1.000 12.975 0 90  LEU A CD2 1 ? 
ATOM   682  N  N   . LYS A 1 91  ? 8.287   -22.007 8.400   1.000 11.686 0 91  LYS A N   1 ? 
ATOM   683  C  CA  . LYS A 1 91  ? 8.820   -21.952 9.764   1.000 13.463 0 91  LYS A CA  1 ? 
ATOM   684  C  C   . LYS A 1 91  ? 8.909   -23.338 10.395  1.000 13.484 0 91  LYS A C   1 ? 
ATOM   685  O  O   . LYS A 1 91  ? 9.763   -23.594 11.256  1.000 14.667 0 91  LYS A O   1 ? 
ATOM   686  C  CB  . LYS A 1 91  ? 7.908   -21.111 10.668  1.000 15.965 0 91  LYS A CB  1 ? 
ATOM   687  C  CG  . LYS A 1 91  ? 8.143   -19.656 10.510  1.000 19.930 0 91  LYS A CG  1 ? 
ATOM   688  C  CD  . LYS A 1 91  ? 7.520   -18.828 11.625  1.000 25.040 0 91  LYS A CD  1 ? 
ATOM   689  C  CE  . LYS A 1 91  ? 7.617   -17.356 11.306  1.000 28.332 0 91  LYS A CE  1 ? 
ATOM   690  N  NZ  . LYS A 1 91  ? 6.903   -16.633 12.364  1.000 31.680 0 91  LYS A NZ  1 ? 
ATOM   691  N  N   . SER A 1 92  ? 8.026   -24.236 9.983   1.000 12.624 0 92  SER A N   1 ? 
ATOM   692  C  CA  . SER A 1 92  ? 8.095   -25.622 10.393  1.000 12.533 0 92  SER A CA  1 ? 
ATOM   693  C  C   . SER A 1 92  ? 7.857   -26.511 9.185   1.000 12.986 0 92  SER A C   1 ? 
ATOM   694  O  O   . SER A 1 92  ? 7.206   -26.107 8.237   1.000 12.618 0 92  SER A O   1 ? 
ATOM   695  C  CB  . SER A 1 92  ? 7.087   -25.926 11.457  1.000 12.614 0 92  SER A CB  1 ? 
ATOM   696  O  OG  . SER A 1 92  ? 5.766   -25.653 11.034  1.000 15.000 0 92  SER A OG  1 ? 
ATOM   697  N  N   . ALA A 1 93  ? 8.296   -27.764 9.253   1.000 13.253 0 93  ALA A N   1 ? 
ATOM   698  C  CA  . ALA A 1 93  ? 8.029   -28.711 8.190   1.000 11.826 0 93  ALA A CA  1 ? 
ATOM   699  C  C   . ALA A 1 93  ? 6.545   -29.066 8.144   1.000 12.875 0 93  ALA A C   1 ? 
ATOM   700  O  O   . ALA A 1 93  ? 5.934   -29.394 9.170   1.000 12.238 0 93  ALA A O   1 ? 
ATOM   701  C  CB  . ALA A 1 93  ? 8.849   -29.975 8.441   1.000 11.839 0 93  ALA A CB  1 ? 
ATOM   702  N  N   . ALA A 1 94  ? 5.999   -29.091 6.922   1.000 11.946 0 94  ALA A N   1 ? 
ATOM   703  C  CA  . ALA A 1 94  ? 4.709   -29.703 6.679   1.000 12.057 0 94  ALA A CA  1 ? 
ATOM   704  C  C   . ALA A 1 94  ? 4.747   -31.184 7.026   1.000 12.219 0 94  ALA A C   1 ? 
ATOM   705  O  O   . ALA A 1 94  ? 5.772   -31.862 6.834   1.000 12.417 0 94  ALA A O   1 ? 
ATOM   706  C  CB  . ALA A 1 94  ? 4.291   -29.497 5.238   1.000 12.215 0 94  ALA A CB  1 ? 
ATOM   707  N  N   . SER A 1 95  ? 3.579   -31.690 7.454   1.000 11.835 0 95  SER A N   1 ? 
ATOM   708  C  CA  . SER A 1 95  ? 3.350   -33.129 7.581   1.000 13.176 0 95  SER A CA  1 ? 
ATOM   709  C  C   . SER A 1 95  ? 2.852   -33.684 6.263   1.000 12.118 0 95  SER A C   1 ? 
ATOM   710  O  O   . SER A 1 95  ? 1.722   -33.414 5.869   1.000 13.006 0 95  SER A O   1 ? 
ATOM   711  C  CB  . SER A 1 95  ? 2.310   -33.449 8.640   1.000 15.499 0 95  SER A CB  1 ? 
ATOM   712  O  OG  . SER A 1 95  ? 2.756   -33.017 9.905   1.000 22.824 0 95  SER A OG  1 ? 
ATOM   713  N  N   . LEU A 1 96  ? 3.687   -34.458 5.565   1.000 11.593 0 96  LEU A N   1 ? 
ATOM   714  C  CA  . LEU A 1 96  ? 3.332   -34.925 4.248   1.000 12.654 0 96  LEU A CA  1 ? 
ATOM   715  C  C   . LEU A 1 96  ? 2.444   -36.155 4.377   1.000 13.626 0 96  LEU A C   1 ? 
ATOM   716  O  O   . LEU A 1 96  ? 2.682   -37.025 5.215   1.000 14.414 0 96  LEU A O   1 ? 
ATOM   717  C  CB  . LEU A 1 96  ? 4.601   -35.221 3.454   1.000 12.701 0 96  LEU A CB  1 ? 
ATOM   718  C  CG  . LEU A 1 96  ? 5.576   -34.053 3.288   1.000 13.611 0 96  LEU A CG  1 ? 
ATOM   719  C  CD1 . LEU A 1 96  ? 6.766   -34.546 2.471   1.000 14.858 0 96  LEU A CD1 1 ? 
ATOM   720  C  CD2 . LEU A 1 96  ? 4.947   -32.853 2.658   1.000 14.282 0 96  LEU A CD2 1 ? 
ATOM   721  N  N   . ASN A 1 97  ? 1.422   -36.198 3.522   1.000 12.541 0 97  ASN A N   1 ? 
ATOM   722  C  CA  . ASN A 1 97  ? 0.435   -37.264 3.482   1.000 13.045 0 97  ASN A CA  1 ? 
ATOM   723  C  C   . ASN A 1 97  ? -0.108  -37.332 2.046   1.000 12.705 0 97  ASN A C   1 ? 
ATOM   724  O  O   . ASN A 1 97  ? 0.430   -36.701 1.125   1.000 12.610 0 97  ASN A O   1 ? 
ATOM   725  C  CB  . ASN A 1 97  ? -0.582  -37.068 4.616   1.000 12.756 0 97  ASN A CB  1 ? 
ATOM   726  C  CG  . ASN A 1 97  ? -1.207  -35.692 4.614   1.000 14.725 0 97  ASN A CG  1 ? 
ATOM   727  O  OD1 . ASN A 1 97  ? -1.265  -34.979 5.627   1.000 17.119 0 97  ASN A OD1 1 ? 
ATOM   728  N  ND2 . ASN A 1 97  ? -1.711  -35.323 3.454   1.000 11.375 0 97  ASN A ND2 1 ? 
ATOM   729  N  N   . SER A 1 98  ? -1.191  -38.087 1.832   1.000 12.777 0 98  SER A N   1 ? 
ATOM   730  C  CA  . SER A 1 98  ? -1.782  -38.240 0.510   1.000 12.669 0 98  SER A CA  1 ? 
ATOM   731  C  C   . SER A 1 98  ? -2.325  -36.934 -0.077  1.000 12.230 0 98  SER A C   1 ? 
ATOM   732  O  O   . SER A 1 98  ? -2.390  -36.816 -1.302  1.000 13.655 0 98  SER A O   1 ? 
ATOM   733  C  CB  . SER A 1 98  ? -2.873  -39.277 0.553   1.000 13.740 0 98  SER A CB  1 ? 
ATOM   734  O  OG  . SER A 1 98  ? -4.009  -38.856 1.302   1.000 13.487 0 98  SER A OG  1 ? 
ATOM   735  N  N   . ARG A 1 99  ? -2.730  -35.979 0.792   1.000 10.659 0 99  ARG A N   1 ? 
ATOM   736  C  CA  . ARG A 1 99  ? -3.361  -34.724 0.384   1.000 10.688 0 99  ARG A CA  1 ? 
ATOM   737  C  C   . ARG A 1 99  ? -2.414  -33.523 0.442   1.000 11.047 0 99  ARG A C   1 ? 
ATOM   738  O  O   . ARG A 1 99  ? -2.753  -32.452 -0.087  1.000 10.947 0 99  ARG A O   1 ? 
ATOM   739  C  CB  . ARG A 1 99  ? -4.615  -34.518 1.249   1.000 10.855 0 99  ARG A CB  1 ? 
ATOM   740  C  CG  . ARG A 1 99  ? -5.642  -35.622 1.015   1.000 11.531 0 99  ARG A CG  1 ? 
ATOM   741  C  CD  . ARG A 1 99  ? -6.862  -35.456 1.895   1.000 13.102 0 99  ARG A CD  1 ? 
ATOM   742  N  NE  . ARG A 1 99  ? -7.950  -36.387 1.571   1.000 14.538 0 99  ARG A NE  1 ? 
ATOM   743  C  CZ  . ARG A 1 99  ? -7.974  -37.642 1.946   1.000 17.738 0 99  ARG A CZ  1 ? 
ATOM   744  N  NH1 . ARG A 1 99  ? -7.063  -38.102 2.803   1.000 18.885 0 99  ARG A NH1 1 ? 
ATOM   745  N  NH2 . ARG A 1 99  ? -8.964  -38.415 1.511   1.000 18.578 0 99  ARG A NH2 1 ? 
ATOM   746  N  N   . VAL A 1 100 ? -1.236  -33.691 1.058   1.000 9.634  0 100 VAL A N   1 ? 
ATOM   747  C  CA  . VAL A 1 100 ? -0.223  -32.659 1.161   1.000 9.664  0 100 VAL A CA  1 ? 
ATOM   748  C  C   . VAL A 1 100 ? 1.083   -33.336 0.785   1.000 10.177 0 100 VAL A C   1 ? 
ATOM   749  O  O   . VAL A 1 100 ? 1.676   -34.080 1.583   1.000 10.834 0 100 VAL A O   1 ? 
ATOM   750  C  CB  . VAL A 1 100 ? -0.173  -32.003 2.554   1.000 9.520  0 100 VAL A CB  1 ? 
ATOM   751  C  CG1 . VAL A 1 100 ? 0.969   -31.000 2.658   1.000 10.428 0 100 VAL A CG1 1 ? 
ATOM   752  C  CG2 . VAL A 1 100 ? -1.507  -31.347 2.864   1.000 10.640 0 100 VAL A CG2 1 ? 
ATOM   753  N  N   . ALA A 1 101 ? 1.536   -33.065 -0.425  1.000 9.388  0 101 ALA A N   1 ? 
ATOM   754  C  CA  . ALA A 1 101 ? 2.647   -33.817 -0.985  1.000 8.720  0 101 ALA A CA  1 ? 
ATOM   755  C  C   . ALA A 1 101 ? 3.531   -32.943 -1.862  1.000 9.287  0 101 ALA A C   1 ? 
ATOM   756  O  O   . ALA A 1 101 ? 3.068   -31.994 -2.449  1.000 9.399  0 101 ALA A O   1 ? 
ATOM   757  C  CB  . ALA A 1 101 ? 2.154   -35.008 -1.753  1.000 9.338  0 101 ALA A CB  1 ? 
ATOM   758  N  N   . SER A 1 102 ? 4.824   -33.232 -1.861  1.000 9.094  0 102 SER A N   1 ? 
ATOM   759  C  CA  . SER A 1 102 ? 5.745   -32.494 -2.709  1.000 9.213  0 102 SER A CA  1 ? 
ATOM   760  C  C   . SER A 1 102 ? 5.642   -32.953 -4.158  1.000 8.910  0 102 SER A C   1 ? 
ATOM   761  O  O   . SER A 1 102 ? 5.273   -34.094 -4.435  1.000 11.310 0 102 SER A O   1 ? 
ATOM   762  C  CB  . SER A 1 102 ? 7.149   -32.623 -2.182  1.000 10.778 0 102 SER A CB  1 ? 
ATOM   763  O  OG  . SER A 1 102 ? 7.545   -33.983 -2.062  1.000 12.349 0 102 SER A OG  1 ? 
ATOM   764  N  N   . ILE A 1 103 ? 6.022   -32.062 -5.080  1.000 8.045  0 103 ILE A N   1 ? 
ATOM   765  C  CA  . ILE A 1 103 ? 6.124   -32.355 -6.504  1.000 8.936  0 103 ILE A CA  1 ? 
ATOM   766  C  C   . ILE A 1 103 ? 7.594   -32.426 -6.873  1.000 8.976  0 103 ILE A C   1 ? 
ATOM   767  O  O   . ILE A 1 103 ? 8.386   -31.548 -6.518  1.000 8.716  0 103 ILE A O   1 ? 
ATOM   768  C  CB  . ILE A 1 103 ? 5.335   -31.332 -7.367  1.000 9.836  0 103 ILE A CB  1 ? 
ATOM   769  C  CG1 . ILE A 1 103 ? 5.278   -31.737 -8.863  1.000 10.885 0 103 ILE A CG1 1 ? 
ATOM   770  C  CG2 . ILE A 1 103 ? 5.816   -29.897 -7.186  1.000 10.909 0 103 ILE A CG2 1 ? 
ATOM   771  C  CD1 . ILE A 1 103 ? 4.489   -33.004 -9.058  1.000 11.222 0 103 ILE A CD1 1 ? 
ATOM   772  N  N   . SER A 1 104 ? 7.940   -33.451 -7.673  1.000 9.377  0 104 SER A N   1 ? 
ATOM   773  C  CA  . SER A 1 104 ? 9.299   -33.613 -8.167  1.000 10.250 0 104 SER A CA  1 ? 
ATOM   774  C  C   . SER A 1 104 ? 9.756   -32.439 -9.034  1.000 10.052 0 104 SER A C   1 ? 
ATOM   775  O  O   . SER A 1 104 ? 8.984   -31.932 -9.852  1.000 9.606  0 104 SER A O   1 ? 
ATOM   776  C  CB  . SER A 1 104 ? 9.371   -34.889 -8.954  1.000 13.004 0 104 SER A CB  1 ? 
ATOM   777  O  OG  . SER A 1 104 ? 9.202   -35.998 -8.100  1.000 16.430 0 104 SER A OG  1 ? 
ATOM   778  N  N   . LEU A 1 105 ? 11.026  -32.056 -8.900  1.000 10.277 0 105 LEU A N   1 ? 
ATOM   779  C  CA  . LEU A 1 105 ? 11.642  -31.093 -9.800  1.000 10.493 0 105 LEU A CA  1 ? 
ATOM   780  C  C   . LEU A 1 105 ? 12.052  -31.848 -11.053 1.000 10.780 0 105 LEU A C   1 ? 
ATOM   781  O  O   . LEU A 1 105 ? 12.320  -33.038 -11.008 1.000 12.301 0 105 LEU A O   1 ? 
ATOM   782  C  CB  . LEU A 1 105 ? 12.863  -30.449 -9.154  1.000 11.667 0 105 LEU A CB  1 ? 
ATOM   783  C  CG  . LEU A 1 105 ? 12.533  -29.582 -7.938  1.000 13.499 0 105 LEU A CG  1 ? 
ATOM   784  C  CD1 . LEU A 1 105 ? 13.813  -29.171 -7.284  1.000 14.413 0 105 LEU A CD1 1 ? 
ATOM   785  C  CD2 . LEU A 1 105 ? 11.727  -28.399 -8.356  1.000 14.535 0 105 LEU A CD2 1 ? 
ATOM   786  N  N   . PRO A 1 106 ? 12.148  -31.170 -12.203 1.000 10.976 0 106 PRO A N   1 ? 
ATOM   787  C  CA  . PRO A 1 106 ? 12.545  -31.840 -13.436 1.000 12.300 0 106 PRO A CA  1 ? 
ATOM   788  C  C   . PRO A 1 106 ? 14.036  -32.160 -13.416 1.000 12.725 0 106 PRO A C   1 ? 
ATOM   789  O  O   . PRO A 1 106 ? 14.831  -31.461 -12.805 1.000 12.798 0 106 PRO A O   1 ? 
ATOM   790  C  CB  . PRO A 1 106 ? 12.208  -30.883 -14.553 1.000 12.829 0 106 PRO A CB  1 ? 
ATOM   791  C  CG  . PRO A 1 106 ? 12.094  -29.553 -13.871 1.000 12.266 0 106 PRO A CG  1 ? 
ATOM   792  C  CD  . PRO A 1 106 ? 11.849  -29.751 -12.371 1.000 11.554 0 106 PRO A CD  1 ? 
ATOM   793  N  N   . THR A 1 107 ? 14.393  -33.227 -14.124 1.000 16.484 0 107 THR A N   1 ? 
ATOM   794  C  CA  . THR A 1 107 ? 15.788  -33.537 -14.414 1.000 18.907 0 107 THR A CA  1 ? 
ATOM   795  C  C   . THR A 1 107 ? 16.150  -33.067 -15.816 1.000 19.067 0 107 THR A C   1 ? 
ATOM   796  O  O   . THR A 1 107 ? 17.324  -32.847 -16.090 1.000 24.197 0 107 THR A O   1 ? 
ATOM   797  C  CB  . THR A 1 107 ? 16.023  -35.039 -14.261 1.000 19.393 0 107 THR A CB  1 ? 
ATOM   798  O  OG1 . THR A 1 107 ? 15.144  -35.669 -15.176 1.000 23.480 0 107 THR A OG1 1 ? 
ATOM   799  C  CG2 . THR A 1 107 ? 15.655  -35.547 -12.889 1.000 19.686 0 107 THR A CG2 1 ? 
ATOM   800  N  N   . SER A 1 108 ? 15.150  -32.968 -16.696 1.000 18.901 0 108 SER A N   1 ? 
ATOM   801  C  CA  . SER A 1 108 ? 15.295  -32.344 -17.991 1.000 21.110 0 108 SER A CA  1 ? 
ATOM   802  C  C   . SER A 1 108 ? 14.040  -31.532 -18.281 1.000 18.278 0 108 SER A C   1 ? 
ATOM   803  O  O   . SER A 1 108 ? 12.982  -31.710 -17.667 1.000 15.679 0 108 SER A O   1 ? 
ATOM   804  C  CB  . SER A 1 108 ? 15.550  -33.345 -19.093 1.000 24.508 0 108 SER A CB  1 ? 
ATOM   805  O  OG  . SER A 1 108 ? 14.372  -34.067 -19.419 1.000 27.965 0 108 SER A OG  1 ? 
ATOM   806  N  N   . CYS A 1 109 ? 14.207  -30.617 -19.218 1.000 17.207 0 109 CYS A N   1 ? 
ATOM   807  C  CA  . CYS A 1 109 ? 13.163  -29.703 -19.618 1.000 16.317 0 109 CYS A CA  1 ? 
ATOM   808  C  C   . CYS A 1 109 ? 12.119  -30.475 -20.376 1.000 18.411 0 109 CYS A C   1 ? 
ATOM   809  O  O   . CYS A 1 109 ? 12.377  -31.581 -20.867 1.000 20.397 0 109 CYS A O   1 ? 
ATOM   810  C  CB  . CYS A 1 109 ? 13.745  -28.566 -20.447 1.000 16.575 0 109 CYS A CB  1 ? 
ATOM   811  S  SG  . CYS A 1 109 ? 15.072  -27.728 -19.579 1.000 14.938 0 109 CYS A SG  1 ? 
ATOM   812  N  N   . ALA A 1 110 ? 10.947  -29.882 -20.434 1.000 16.088 0 110 ALA A N   1 ? 
ATOM   813  C  CA  . ALA A 1 110 ? 9.866   -30.398 -21.230 1.000 18.196 0 110 ALA A CA  1 ? 
ATOM   814  C  C   . ALA A 1 110 ? 9.926   -29.772 -22.624 1.000 19.433 0 110 ALA A C   1 ? 
ATOM   815  O  O   . ALA A 1 110 ? 10.589  -28.740 -22.854 1.000 25.693 0 110 ALA A O   1 ? 
ATOM   816  C  CB  . ALA A 1 110 ? 8.577   -30.114 -20.548 1.000 17.684 0 110 ALA A CB  1 ? 
ATOM   817  N  N   . SER A 1 111 ? 9.213   -30.415 -23.527 1.000 19.364 0 111 SER A N   1 ? 
ATOM   818  C  CA  . SER A 1 111 ? 9.181   -30.061 -24.936 1.000 21.452 0 111 SER A CA  1 ? 
ATOM   819  C  C   . SER A 1 111 ? 7.767   -29.630 -25.340 1.000 18.667 0 111 SER A C   1 ? 
ATOM   820  O  O   . SER A 1 111 ? 6.769   -30.157 -24.851 1.000 17.753 0 111 SER A O   1 ? 
ATOM   821  C  CB  . SER A 1 111 ? 9.652   -31.269 -25.815 1.000 20.855 0 111 SER A CB  1 ? 
ATOM   822  O  OG  . SER A 1 111 ? 11.039  -31.505 -25.643 1.000 29.214 0 111 SER A OG  1 ? 
ATOM   823  N  N   . ALA A 1 112 ? 7.725   -28.772 -26.357 1.000 19.160 0 112 ALA A N   1 ? 
ATOM   824  C  CA  . ALA A 1 112 ? 6.517   -28.495 -27.116 1.000 19.450 0 112 ALA A CA  1 ? 
ATOM   825  C  C   . ALA A 1 112 ? 5.742   -29.788 -27.407 1.000 18.215 0 112 ALA A C   1 ? 
ATOM   826  O  O   . ALA A 1 112 ? 6.329   -30.832 -27.783 1.000 17.810 0 112 ALA A O   1 ? 
ATOM   827  C  CB  . ALA A 1 112 ? 6.900   -27.756 -28.390 1.000 17.975 0 112 ALA A CB  1 ? 
ATOM   828  N  N   . GLY A 1 113 ? 4.423   -29.723 -27.135 1.000 17.396 0 113 GLY A N   1 ? 
ATOM   829  C  CA  . GLY A 1 113 ? 3.497   -30.807 -27.416 1.000 19.993 0 113 GLY A CA  1 ? 
ATOM   830  C  C   . GLY A 1 113 ? 3.161   -31.608 -26.158 1.000 20.211 0 113 GLY A C   1 ? 
ATOM   831  O  O   . GLY A 1 113 ? 2.134   -32.272 -26.101 1.000 20.342 0 113 GLY A O   1 ? 
ATOM   832  N  N   . THR A 1 114 ? 4.017   -31.542 -25.134 1.000 18.766 0 114 THR A N   1 ? 
ATOM   833  C  CA  . THR A 1 114 ? 3.724   -32.249 -23.889 1.000 18.582 0 114 THR A CA  1 ? 
ATOM   834  C  C   . THR A 1 114 ? 2.503   -31.609 -23.202 1.000 18.364 0 114 THR A C   1 ? 
ATOM   835  O  O   . THR A 1 114 ? 2.463   -30.401 -23.025 1.000 18.803 0 114 THR A O   1 ? 
ATOM   836  C  CB  . THR A 1 114 ? 4.978   -32.196 -23.012 1.000 20.566 0 114 THR A CB  1 ? 
ATOM   837  O  OG1 . THR A 1 114 ? 6.008   -32.852 -23.747 1.000 24.345 0 114 THR A OG1 1 ? 
ATOM   838  C  CG2 . THR A 1 114 ? 4.839   -32.932 -21.686 1.000 20.489 0 114 THR A CG2 1 ? 
ATOM   839  N  N   . GLN A 1 115 ? 1.539   -32.428 -22.788 1.000 16.104 0 115 GLN A N   1 ? 
ATOM   840  C  CA  . GLN A 1 115 ? 0.393   -32.024 -21.992 1.000 20.055 0 115 GLN A CA  1 ? 
ATOM   841  C  C   . GLN A 1 115 ? 0.796   -31.804 -20.525 1.000 18.121 0 115 GLN A C   1 ? 
ATOM   842  O  O   . GLN A 1 115 ? 1.681   -32.494 -19.981 1.000 16.794 0 115 GLN A O   1 ? 
ATOM   843  C  CB  . GLN A 1 115 ? -0.712  -33.059 -22.142 1.000 23.777 0 115 GLN A CB  1 ? 
ATOM   844  C  CG  . GLN A 1 115 ? -1.483  -32.986 -23.467 1.000 31.542 0 115 GLN A CG  1 ? 
ATOM   845  C  CD  . GLN A 1 115 ? -2.527  -31.881 -23.611 1.000 36.829 0 115 GLN A CD  1 ? 
ATOM   846  O  OE1 . GLN A 1 115 ? -3.335  -31.600 -22.717 1.000 43.940 0 115 GLN A OE1 1 ? 
ATOM   847  N  NE2 . GLN A 1 115 ? -2.572  -31.258 -24.781 1.000 36.388 0 115 GLN A NE2 1 ? 
ATOM   848  N  N   . CYS A 1 116 ? 0.218   -30.760 -19.912 1.000 12.935 0 116 CYS A N   1 ? 
ATOM   849  C  CA  . CYS A 1 116 ? 0.550   -30.397 -18.546 1.000 12.217 0 116 CYS A CA  1 ? 
ATOM   850  C  C   . CYS A 1 116 ? -0.728  -29.997 -17.812 1.000 10.037 0 116 CYS A C   1 ? 
ATOM   851  O  O   . CYS A 1 116 ? -1.748  -29.725 -18.445 1.000 12.320 0 116 CYS A O   1 ? 
ATOM   852  C  CB  . CYS A 1 116 ? 1.502   -29.215 -18.523 1.000 11.536 0 116 CYS A CB  1 ? 
ATOM   853  S  SG  . CYS A 1 116 ? 3.039   -29.492 -19.460 1.000 13.087 0 116 CYS A SG  1 ? 
ATOM   854  N  N   . LEU A 1 117 ? -0.649  -29.992 -16.488 1.000 8.021  0 117 LEU A N   1 ? 
ATOM   855  C  CA  . LEU A 1 117 ? -1.768  -29.614 -15.633 1.000 7.522  0 117 LEU A CA  1 ? 
ATOM   856  C  C   . LEU A 1 117 ? -1.385  -28.320 -14.928 1.000 7.628  0 117 LEU A C   1 ? 
ATOM   857  O  O   . LEU A 1 117 ? -0.368  -28.302 -14.224 1.000 7.195  0 117 LEU A O   1 ? 
ATOM   858  C  CB  . LEU A 1 117 ? -2.035  -30.710 -14.600 1.000 8.226  0 117 LEU A CB  1 ? 
ATOM   859  C  CG  . LEU A 1 117 ? -3.209  -30.453 -13.649 1.000 8.989  0 117 LEU A CG  1 ? 
ATOM   860  C  CD1 . LEU A 1 117 ? -4.537  -30.502 -14.379 1.000 9.614  0 117 LEU A CD1 1 ? 
ATOM   861  C  CD2 . LEU A 1 117 ? -3.168  -31.402 -12.441 1.000 10.053 0 117 LEU A CD2 1 ? 
ATOM   862  N  N   . ILE A 1 118 ? -2.225  -27.296 -15.114 1.000 6.450  0 118 ILE A N   1 ? 
ATOM   863  C  CA  . ILE A 1 118 ? -2.050  -25.976 -14.531 1.000 6.777  0 118 ILE A CA  1 ? 
ATOM   864  C  C   . ILE A 1 118 ? -3.199  -25.801 -13.577 1.000 6.969  0 118 ILE A C   1 ? 
ATOM   865  O  O   . ILE A 1 118 ? -4.337  -26.164 -13.869 1.000 7.619  0 118 ILE A O   1 ? 
ATOM   866  C  CB  . ILE A 1 118 ? -2.086  -24.941 -15.657 1.000 7.455  0 118 ILE A CB  1 ? 
ATOM   867  C  CG1 . ILE A 1 118 ? -1.078  -25.320 -16.739 1.000 7.927  0 118 ILE A CG1 1 ? 
ATOM   868  C  CG2 . ILE A 1 118 ? -1.845  -23.534 -15.121 1.000 8.007  0 118 ILE A CG2 1 ? 
ATOM   869  C  CD1 . ILE A 1 118 ? -1.161  -24.377 -17.931 1.000 8.920  0 118 ILE A CD1 1 ? 
ATOM   870  N  N   . SER A 1 119 ? -2.955  -25.206 -12.412 1.000 6.646  0 119 SER A N   1 ? 
ATOM   871  C  CA  . SER A 1 119 ? -4.024  -25.140 -11.431 1.000 6.482  0 119 SER A CA  1 ? 
ATOM   872  C  C   . SER A 1 119 ? -3.929  -23.835 -10.646 1.000 6.845  0 119 SER A C   1 ? 
ATOM   873  O  O   . SER A 1 119 ? -2.862  -23.238 -10.512 1.000 6.443  0 119 SER A O   1 ? 
ATOM   874  C  CB  . SER A 1 119 ? -3.979  -26.391 -10.571 1.000 5.947  0 119 SER A CB  1 ? 
ATOM   875  O  OG  . SER A 1 119 ? -2.647  -26.649 -10.076 1.000 6.639  0 119 SER A OG  1 ? 
ATOM   876  N  N   . GLY A 1 120 ? -5.052  -23.449 -10.044 1.000 6.439  0 120 GLY A N   1 ? 
ATOM   877  C  CA  . GLY A 1 120 ? -5.061  -22.275 -9.185  1.000 6.228  0 120 GLY A CA  1 ? 
ATOM   878  C  C   . GLY A 1 120 ? -6.454  -21.760 -8.868  1.000 6.475  0 120 GLY A C   1 ? 
ATOM   879  O  O   . GLY A 1 120 ? -7.465  -22.257 -9.341  1.000 6.895  0 120 GLY A O   1 ? 
ATOM   880  N  N   . TRP A 1 121 ? -6.486  -20.715 -8.026  1.000 6.196  0 121 TRP A N   1 ? 
ATOM   881  C  CA  . TRP A 1 121 ? -7.699  -20.073 -7.554  1.000 6.815  0 121 TRP A CA  1 ? 
ATOM   882  C  C   . TRP A 1 121 ? -7.908  -18.726 -8.244  1.000 6.587  0 121 TRP A C   1 ? 
ATOM   883  O  O   . TRP A 1 121 ? -8.550  -17.833 -7.673  1.000 7.148  0 121 TRP A O   1 ? 
ATOM   884  C  CB  . TRP A 1 121 ? -7.646  -19.907 -6.027  1.000 6.905  0 121 TRP A CB  1 ? 
ATOM   885  C  CG  . TRP A 1 121 ? -7.788  -21.209 -5.269  1.000 6.329  0 121 TRP A CG  1 ? 
ATOM   886  C  CD1 . TRP A 1 121 ? -8.957  -21.792 -4.886  1.000 6.606  0 121 TRP A CD1 1 ? 
ATOM   887  C  CD2 . TRP A 1 121 ? -6.752  -22.024 -4.707  1.000 6.180  0 121 TRP A CD2 1 ? 
ATOM   888  N  NE1 . TRP A 1 121 ? -8.723  -22.932 -4.164  1.000 6.762  0 121 TRP A NE1 1 ? 
ATOM   889  C  CE2 . TRP A 1 121 ? -7.381  -23.099 -4.020  1.000 6.338  0 121 TRP A CE2 1 ? 
ATOM   890  C  CE3 . TRP A 1 121 ? -5.350  -21.952 -4.685  1.000 6.306  0 121 TRP A CE3 1 ? 
ATOM   891  C  CZ2 . TRP A 1 121 ? -6.664  -24.079 -3.346  1.000 6.616  0 121 TRP A CZ2 1 ? 
ATOM   892  C  CZ3 . TRP A 1 121 ? -4.654  -22.909 -4.011  1.000 6.267  0 121 TRP A CZ3 1 ? 
ATOM   893  C  CH2 . TRP A 1 121 ? -5.297  -23.954 -3.341  1.000 6.485  0 121 TRP A CH2 1 ? 
ATOM   894  N  N   . GLY A 1 122 ? -7.261  -18.507 -9.396  1.000 6.548  0 122 GLY A N   1 ? 
ATOM   895  C  CA  . GLY A 1 122 ? -7.376  -17.229 -10.058 1.000 6.621  0 122 GLY A CA  1 ? 
ATOM   896  C  C   . GLY A 1 122 ? -8.703  -17.026 -10.785 1.000 7.183  0 122 GLY A C   1 ? 
ATOM   897  O  O   . GLY A 1 122 ? -9.582  -17.888 -10.764 1.000 8.698  0 122 GLY A O   1 ? 
ATOM   898  N  N   . ASN A 1 123 ? -8.809  -15.864 -11.445 1.000 8.089  0 123 ASN A N   1 ? 
ATOM   899  C  CA  . ASN A 1 123 ? -10.021 -15.470 -12.157 1.000 8.481  0 123 ASN A CA  1 ? 
ATOM   900  C  C   . ASN A 1 123 ? -10.426 -16.558 -13.155 1.000 8.803  0 123 ASN A C   1 ? 
ATOM   901  O  O   . ASN A 1 123 ? -9.577  -17.095 -13.865 1.000 7.894  0 123 ASN A O   1 ? 
ATOM   902  C  CB  . ASN A 1 123 ? -9.763  -14.103 -12.781 1.000 8.993  0 123 ASN A CB  1 ? 
ATOM   903  C  CG  . ASN A 1 123 ? -10.970 -13.381 -13.334 1.000 10.501 0 123 ASN A CG  1 ? 
ATOM   904  O  OD1 . ASN A 1 123 ? -12.090 -13.861 -13.291 1.000 11.227 0 123 ASN A OD1 1 ? 
ATOM   905  N  ND2 . ASN A 1 123 ? -10.743 -12.194 -13.885 1.000 13.510 0 123 ASN A ND2 1 ? 
ATOM   906  N  N   . THR A 1 124 ? -11.737 -16.762 -13.282 1.000 8.934  0 124 THR A N   1 ? 
ATOM   907  C  CA  . THR A 1 124 ? -12.305 -17.758 -14.185 1.000 9.609  0 124 THR A CA  1 ? 
ATOM   908  C  C   . THR A 1 124 ? -12.929 -17.088 -15.411 1.000 10.958 0 124 THR A C   1 ? 
ATOM   909  O  O   . THR A 1 124 ? -13.357 -17.792 -16.302 1.000 10.570 0 124 THR A O   1 ? 
ATOM   910  C  CB  . THR A 1 124 ? -13.269 -18.730 -13.498 1.000 10.298 0 124 THR A CB  1 ? 
ATOM   911  O  OG1 . THR A 1 124 ? -14.362 -17.921 -13.052 1.000 10.798 0 124 THR A OG1 1 ? 
ATOM   912  C  CG2 . THR A 1 124 ? -12.592 -19.556 -12.400 1.000 9.599  0 124 THR A CG2 1 ? 
ATOM   913  N  N   . LYS A 1 125 ? -12.914 -15.753 -15.505 1.000 12.910 0 125 LYS A N   1 ? 
ATOM   914  C  CA  . LYS A 1 125 ? -13.431 -15.077 -16.699 1.000 17.535 0 125 LYS A CA  1 ? 
ATOM   915  C  C   . LYS A 1 125 ? -12.358 -14.290 -17.453 1.000 17.599 0 125 LYS A C   1 ? 
ATOM   916  O  O   . LYS A 1 125 ? -11.442 -13.722 -16.856 1.000 19.639 0 125 LYS A O   1 ? 
ATOM   917  C  CB  . LYS A 1 125 ? -14.432 -14.013 -16.259 1.000 22.160 0 125 LYS A CB  1 ? 
ATOM   918  C  CG  . LYS A 1 125 ? -15.499 -14.544 -15.341 1.000 26.813 0 125 LYS A CG  1 ? 
ATOM   919  C  CD  . LYS A 1 125 ? -16.267 -15.739 -15.875 1.000 29.955 0 125 LYS A CD  1 ? 
ATOM   920  C  CE  . LYS A 1 125 ? -17.567 -15.284 -16.444 1.000 37.538 0 125 LYS A CE  1 ? 
ATOM   921  N  NZ  . LYS A 1 125 ? -18.513 -14.914 -15.390 1.000 35.799 0 125 LYS A NZ  1 ? 
ATOM   922  N  N   . SER A 1 126 ? -12.517 -14.212 -18.782 1.000 21.805 0 126 SER A N   1 ? 
ATOM   923  C  CA  . SER A 1 126 ? -11.592 -13.514 -19.663 1.000 24.311 0 126 SER A CA  1 ? 
ATOM   924  C  C   . SER A 1 126 ? -12.052 -12.079 -19.945 1.000 25.257 0 126 SER A C   1 ? 
ATOM   925  O  O   . SER A 1 126 ? -11.227 -11.236 -20.311 1.000 25.181 0 126 SER A O   1 ? 
ATOM   926  C  CB  . SER A 1 126 ? -11.434 -14.286 -20.949 1.000 25.041 0 126 SER A CB  1 ? 
ATOM   927  O  OG  . SER A 1 126 ? -12.694 -14.505 -21.584 1.000 25.423 0 126 SER A OG  1 ? 
ATOM   928  N  N   . SER A 1 127 ? -13.374 -11.838 -19.817 1.000 24.494 0 127 SER A N   1 ? 
ATOM   929  C  CA  . SER A 1 127 ? -14.005 -10.534 -20.006 1.000 27.097 0 127 SER A CA  1 ? 
ATOM   930  C  C   . SER A 1 127 ? -15.006 -10.283 -18.881 1.000 30.575 0 127 SER A C   1 ? 
ATOM   931  O  O   . SER A 1 127 ? -16.176 -9.966  -19.104 1.000 34.279 0 127 SER A O   1 ? 
ATOM   932  C  CB  . SER A 1 127 ? -14.706 -10.424 -21.340 1.000 28.694 0 127 SER A CB  1 ? 
ATOM   933  O  OG  . SER A 1 127 ? -13.774 -10.399 -22.414 1.000 29.918 0 127 SER A OG  1 ? 
ATOM   934  N  N   . GLY A 1 128 ? -14.494 -10.356 -17.670 1.000 25.989 0 128 GLY A N   1 ? 
ATOM   935  C  CA  . GLY A 1 128 ? -15.311 -10.507 -16.488 1.000 25.152 0 128 GLY A CA  1 ? 
ATOM   936  C  C   . GLY A 1 128 ? -14.386 -10.680 -15.298 1.000 23.705 0 128 GLY A C   1 ? 
ATOM   937  O  O   . GLY A 1 128 ? -13.168 -10.686 -15.489 1.000 22.123 0 128 GLY A O   1 ? 
ATOM   938  N  N   . THR A 1 129 ? -14.984 -10.748 -14.099 1.000 22.063 0 129 THR A N   1 ? 
ATOM   939  C  CA  . THR A 1 129 ? -14.277 -11.088 -12.877 1.000 21.606 0 129 THR A CA  1 ? 
ATOM   940  C  C   . THR A 1 129 ? -15.123 -12.062 -12.083 1.000 17.443 0 129 THR A C   1 ? 
ATOM   941  O  O   . THR A 1 129 ? -16.226 -11.748 -11.693 1.000 18.334 0 129 THR A O   1 ? 
ATOM   942  C  CB  . THR A 1 129 ? -14.026 -9.837  -12.048 1.000 27.133 0 129 THR A CB  1 ? 
ATOM   943  O  OG1 . THR A 1 129 ? -13.293 -9.032  -12.960 1.000 33.443 0 129 THR A OG1 1 ? 
ATOM   944  C  CG2 . THR A 1 129 ? -13.166 -10.130 -10.839 1.000 26.626 0 129 THR A CG2 1 ? 
ATOM   945  N  N   . SER A 1 130 ? -14.584 -13.245 -11.832 1.000 15.427 0 130 SER A N   1 ? 
ATOM   946  C  CA  . SER A 1 130 ? -15.187 -14.169 -10.888 1.000 15.020 0 130 SER A CA  1 ? 
ATOM   947  C  C   . SER A 1 130 ? -14.088 -15.073 -10.330 1.000 14.200 0 130 SER A C   1 ? 
ATOM   948  O  O   . SER A 1 130 ? -13.422 -15.798 -11.084 1.000 14.153 0 130 SER A O   1 ? 
ATOM   949  C  CB  . SER A 1 130 ? -16.278 -14.970 -11.484 1.000 17.563 0 130 SER A CB  1 ? 
ATOM   950  O  OG  . SER A 1 130 ? -16.821 -15.912 -10.560 1.000 17.354 0 130 SER A OG  1 ? 
ATOM   951  N  N   . TYR A 1 131 ? -13.926 -15.023 -9.007  1.000 12.288 0 131 TYR A N   1 ? 
ATOM   952  C  CA  . TYR A 1 131 ? -12.878 -15.771 -8.325  1.000 11.777 0 131 TYR A CA  1 ? 
ATOM   953  C  C   . TYR A 1 131 ? -13.523 -16.965 -7.634  1.000 11.697 0 131 TYR A C   1 ? 
ATOM   954  O  O   . TYR A 1 131 ? -14.502 -16.818 -6.886  1.000 12.182 0 131 TYR A O   1 ? 
ATOM   955  C  CB  . TYR A 1 131 ? -12.142 -14.878 -7.333  1.000 10.978 0 131 TYR A CB  1 ? 
ATOM   956  C  CG  . TYR A 1 131 ? -11.170 -13.965 -8.042  1.000 11.376 0 131 TYR A CG  1 ? 
ATOM   957  C  CD1 . TYR A 1 131 ? -11.595 -12.759 -8.564  1.000 12.092 0 131 TYR A CD1 1 ? 
ATOM   958  C  CD2 . TYR A 1 131 ? -9.855  -14.367 -8.254  1.000 12.196 0 131 TYR A CD2 1 ? 
ATOM   959  C  CE1 . TYR A 1 131 ? -10.706 -11.926 -9.211  1.000 12.556 0 131 TYR A CE1 1 ? 
ATOM   960  C  CE2 . TYR A 1 131 ? -8.972  -13.559 -8.933  1.000 13.624 0 131 TYR A CE2 1 ? 
ATOM   961  C  CZ  . TYR A 1 131 ? -9.407  -12.336 -9.400  1.000 13.301 0 131 TYR A CZ  1 ? 
ATOM   962  O  OH  . TYR A 1 131 ? -8.576  -11.489 -10.065 1.000 17.648 0 131 TYR A OH  1 ? 
ATOM   963  N  N   . PRO A 1 132 ? -13.022 -18.190 -7.914  1.000 10.390 0 132 PRO A N   1 ? 
ATOM   964  C  CA  . PRO A 1 132 ? -13.590 -19.415 -7.383  1.000 9.899  0 132 PRO A CA  1 ? 
ATOM   965  C  C   . PRO A 1 132 ? -13.122 -19.592 -5.937  1.000 10.255 0 132 PRO A C   1 ? 
ATOM   966  O  O   . PRO A 1 132 ? -12.106 -19.062 -5.513  1.000 12.681 0 132 PRO A O   1 ? 
ATOM   967  C  CB  . PRO A 1 132 ? -13.013 -20.486 -8.308  1.000 9.732  0 132 PRO A CB  1 ? 
ATOM   968  C  CG  . PRO A 1 132 ? -11.632 -19.954 -8.623  1.000 10.087 0 132 PRO A CG  1 ? 
ATOM   969  C  CD  . PRO A 1 132 ? -11.835 -18.458 -8.759  1.000 9.651  0 132 PRO A CD  1 ? 
ATOM   970  N  N   . ASP A 1 133 ? -13.881 -20.367 -5.200  1.000 10.511 0 133 ASP A N   1 ? 
ATOM   971  C  CA  . ASP A 1 133 ? -13.505 -20.786 -3.865  1.000 10.832 0 133 ASP A CA  1 ? 
ATOM   972  C  C   . ASP A 1 133 ? -12.714 -22.091 -3.892  1.000 10.200 0 133 ASP A C   1 ? 
ATOM   973  O  O   . ASP A 1 133 ? -11.832 -22.290 -3.047  1.000 9.238  0 133 ASP A O   1 ? 
ATOM   974  C  CB  . ASP A 1 133 ? -14.728 -20.840 -2.962  1.000 12.714 0 133 ASP A CB  1 ? 
ATOM   975  C  CG  . ASP A 1 133 ? -15.431 -19.502 -2.806  1.000 16.638 0 133 ASP A CG  1 ? 
ATOM   976  O  OD1 . ASP A 1 133 ? -14.756 -18.532 -2.489  1.000 17.977 0 133 ASP A OD1 1 ? 
ATOM   977  O  OD2 . ASP A 1 133 ? -16.654 -19.432 -3.070  1.000 22.133 0 133 ASP A OD2 1 ? 
ATOM   978  N  N   . VAL A 1 134 ? -13.034 -22.995 -4.841  1.000 8.812  0 134 VAL A N   1 ? 
ATOM   979  C  CA  . VAL A 1 134 ? -12.383 -24.292 -4.931  1.000 8.525  0 134 VAL A CA  1 ? 
ATOM   980  C  C   . VAL A 1 134 ? -11.353 -24.293 -6.065  1.000 7.782  0 134 VAL A C   1 ? 
ATOM   981  O  O   . VAL A 1 134 ? -11.360 -23.434 -6.936  1.000 7.465  0 134 VAL A O   1 ? 
ATOM   982  C  CB  . VAL A 1 134 ? -13.311 -25.488 -5.106  1.000 8.958  0 134 VAL A CB  1 ? 
ATOM   983  C  CG1 . VAL A 1 134 ? -14.280 -25.573 -3.931  1.000 9.373  0 134 VAL A CG1 1 ? 
ATOM   984  C  CG2 . VAL A 1 134 ? -14.067 -25.399 -6.428  1.000 9.201  0 134 VAL A CG2 1 ? 
ATOM   985  N  N   . LEU A 1 135 ? -10.405 -25.220 -5.986  1.000 7.367  0 135 LEU A N   1 ? 
ATOM   986  C  CA  . LEU A 1 135 ? -9.270  -25.209 -6.902  1.000 7.126  0 135 LEU A CA  1 ? 
ATOM   987  C  C   . LEU A 1 135 ? -9.718  -25.579 -8.308  1.000 7.407  0 135 LEU A C   1 ? 
ATOM   988  O  O   . LEU A 1 135 ? -10.431 -26.561 -8.494  1.000 6.874  0 135 LEU A O   1 ? 
ATOM   989  C  CB  . LEU A 1 135 ? -8.180  -26.141 -6.401  1.000 7.242  0 135 LEU A CB  1 ? 
ATOM   990  C  CG  . LEU A 1 135 ? -6.844  -26.162 -7.136  1.000 7.493  0 135 LEU A CG  1 ? 
ATOM   991  C  CD1 . LEU A 1 135 ? -6.089  -24.849 -7.023  1.000 6.903  0 135 LEU A CD1 1 ? 
ATOM   992  C  CD2 . LEU A 1 135 ? -5.974  -27.329 -6.640  1.000 8.904  0 135 LEU A CD2 1 ? 
ATOM   993  N  N   . LYS A 1 136 ? -9.208  -24.853 -9.305  1.000 7.178  0 136 LYS A N   1 ? 
ATOM   994  C  CA  . LYS A 1 136 ? -9.536  -25.085 -10.706 1.000 8.027  0 136 LYS A CA  1 ? 
ATOM   995  C  C   . LYS A 1 136 ? -8.289  -25.602 -11.413 1.000 8.010  0 136 LYS A C   1 ? 
ATOM   996  O  O   . LYS A 1 136 ? -7.164  -25.345 -11.007 1.000 6.970  0 136 LYS A O   1 ? 
ATOM   997  C  CB  . LYS A 1 136 ? -10.081 -23.851 -11.424 1.000 9.275  0 136 LYS A CB  1 ? 
ATOM   998  C  CG  . LYS A 1 136 ? -11.370 -23.329 -10.830 1.000 10.730 0 136 LYS A CG  1 ? 
ATOM   999  C  CD  . LYS A 1 136 ? -12.565 -24.180 -11.252 1.000 13.173 0 136 LYS A CD  1 ? 
ATOM   1000 C  CE  . LYS A 1 136 ? -13.844 -23.701 -10.664 1.000 16.698 0 136 LYS A CE  1 ? 
ATOM   1001 N  NZ  . LYS A 1 136 ? -14.875 -24.566 -11.253 1.000 17.358 0 136 LYS A NZ  1 ? 
ATOM   1002 N  N   . CYS A 1 137 ? -8.534  -26.370 -12.458 1.000 7.101  0 137 CYS A N   1 ? 
ATOM   1003 C  CA  . CYS A 1 137 ? -7.515  -27.106 -13.180 1.000 7.442  0 137 CYS A CA  1 ? 
ATOM   1004 C  C   . CYS A 1 137 ? -7.695  -26.889 -14.688 1.000 7.389  0 137 CYS A C   1 ? 
ATOM   1005 O  O   . CYS A 1 137 ? -8.815  -26.712 -15.193 1.000 7.734  0 137 CYS A O   1 ? 
ATOM   1006 C  CB  . CYS A 1 137 ? -7.676  -28.596 -12.892 1.000 8.433  0 137 CYS A CB  1 ? 
ATOM   1007 S  SG  . CYS A 1 137 ? -6.775  -29.192 -11.439 1.000 7.867  0 137 CYS A SG  1 ? 
ATOM   1008 N  N   . LEU A 1 138 ? -6.581  -26.974 -15.403 1.000 7.464  0 138 LEU A N   1 ? 
ATOM   1009 C  CA  . LEU A 1 138 ? -6.563  -26.887 -16.862 1.000 7.735  0 138 LEU A CA  1 ? 
ATOM   1010 C  C   . LEU A 1 138 ? -5.459  -27.791 -17.410 1.000 7.664  0 138 LEU A C   1 ? 
ATOM   1011 O  O   . LEU A 1 138 ? -4.308  -27.724 -17.006 1.000 8.368  0 138 LEU A O   1 ? 
ATOM   1012 C  CB  . LEU A 1 138 ? -6.372  -25.451 -17.364 1.000 8.626  0 138 LEU A CB  1 ? 
ATOM   1013 C  CG  . LEU A 1 138 ? -6.185  -25.264 -18.870 1.000 8.664  0 138 LEU A CG  1 ? 
ATOM   1014 C  CD1 . LEU A 1 138 ? -7.519  -25.574 -19.579 1.000 9.327  0 138 LEU A CD1 1 ? 
ATOM   1015 C  CD2 . LEU A 1 138 ? -5.681  -23.878 -19.212 1.000 9.166  0 138 LEU A CD2 1 ? 
ATOM   1016 N  N   . LYS A 1 139 ? -5.863  -28.675 -18.337 1.000 7.200  0 139 LYS A N   1 ? 
ATOM   1017 C  CA  . LYS A 1 139 ? -4.892  -29.418 -19.114 1.000 8.294  0 139 LYS A CA  1 ? 
ATOM   1018 C  C   . LYS A 1 139 ? -4.536  -28.625 -20.370 1.000 8.242  0 139 LYS A C   1 ? 
ATOM   1019 O  O   . LYS A 1 139 ? -5.429  -28.243 -21.135 1.000 8.534  0 139 LYS A O   1 ? 
ATOM   1020 C  CB  . LYS A 1 139 ? -5.388  -30.833 -19.422 1.000 8.577  0 139 LYS A CB  1 ? 
ATOM   1021 C  CG  . LYS A 1 139 ? -5.551  -31.692 -18.159 1.000 9.307  0 139 LYS A CG  1 ? 
ATOM   1022 C  CD  . LYS A 1 139 ? -5.844  -33.149 -18.444 1.000 10.102 0 139 LYS A CD  1 ? 
ATOM   1023 C  CE  . LYS A 1 139 ? -5.953  -33.932 -17.166 1.000 10.981 0 139 LYS A CE  1 ? 
ATOM   1024 N  NZ  . LYS A 1 139 ? -6.318  -35.314 -17.540 1.000 11.192 0 139 LYS A NZ  1 ? 
ATOM   1025 N  N   . ALA A 1 140 ? -3.234  -28.444 -20.586 1.000 9.241  0 140 ALA A N   1 ? 
ATOM   1026 C  CA  . ALA A 1 140 ? -2.747  -27.620 -21.687 1.000 9.164  0 140 ALA A CA  1 ? 
ATOM   1027 C  C   . ALA A 1 140 ? -1.388  -28.096 -22.149 1.000 9.240  0 140 ALA A C   1 ? 
ATOM   1028 O  O   . ALA A 1 140 ? -0.529  -28.483 -21.344 1.000 9.042  0 140 ALA A O   1 ? 
ATOM   1029 C  CB  . ALA A 1 140 ? -2.644  -26.200 -21.241 1.000 9.534  0 140 ALA A CB  1 ? 
ATOM   1030 N  N   . PRO A 1 141 ? -1.126  -27.959 -23.455 1.000 9.502  0 141 PRO A N   1 ? 
ATOM   1031 C  CA  . PRO A 1 141 ? 0.176   -28.295 -24.005 1.000 9.249  0 141 PRO A CA  1 ? 
ATOM   1032 C  C   . PRO A 1 141 ? 1.182   -27.161 -23.998 1.000 9.028  0 141 PRO A C   1 ? 
ATOM   1033 O  O   . PRO A 1 141 ? 0.827   -25.998 -24.166 1.000 9.035  0 141 PRO A O   1 ? 
ATOM   1034 C  CB  . PRO A 1 141 ? -0.243  -28.688 -25.433 1.000 10.038 0 141 PRO A CB  1 ? 
ATOM   1035 C  CG  . PRO A 1 141 ? -1.294  -27.720 -25.799 1.000 10.425 0 141 PRO A CG  1 ? 
ATOM   1036 C  CD  . PRO A 1 141 ? -2.107  -27.627 -24.514 1.000 9.788  0 141 PRO A CD  1 ? 
ATOM   1037 N  N   . ILE A 1 142 ? 2.450   -27.541 -23.910 1.000 9.879  0 142 ILE A N   1 ? 
ATOM   1038 C  CA  . ILE A 1 142 ? 3.494   -26.586 -24.166 1.000 10.166 0 142 ILE A CA  1 ? 
ATOM   1039 C  C   . ILE A 1 142 ? 3.491   -26.225 -25.651 1.000 11.258 0 142 ILE A C   1 ? 
ATOM   1040 O  O   . ILE A 1 142 ? 3.288   -27.108 -26.484 1.000 11.119 0 142 ILE A O   1 ? 
ATOM   1041 C  CB  . ILE A 1 142 ? 4.820   -27.171 -23.678 1.000 12.065 0 142 ILE A CB  1 ? 
ATOM   1042 C  CG1 . ILE A 1 142 ? 4.758   -27.454 -22.140 1.000 12.676 0 142 ILE A CG1 1 ? 
ATOM   1043 C  CG2 . ILE A 1 142 ? 5.982   -26.287 -24.056 1.000 12.384 0 142 ILE A CG2 1 ? 
ATOM   1044 C  CD1 . ILE A 1 142 ? 6.015   -28.124 -21.626 1.000 15.118 0 142 ILE A CD1 1 ? 
ATOM   1045 N  N   . LEU A 1 143 ? 3.697   -24.941 -25.951 1.000 10.405 0 143 LEU A N   1 ? 
ATOM   1046 C  CA  . LEU A 1 143 ? 3.789   -24.435 -27.314 1.000 10.545 0 143 LEU A CA  1 ? 
ATOM   1047 C  C   . LEU A 1 143 ? 5.261   -24.309 -27.696 1.000 10.875 0 143 LEU A C   1 ? 
ATOM   1048 O  O   . LEU A 1 143 ? 6.136   -24.187 -26.833 1.000 11.024 0 143 LEU A O   1 ? 
ATOM   1049 C  CB  . LEU A 1 143 ? 3.051   -23.102 -27.371 1.000 11.322 0 143 LEU A CB  1 ? 
ATOM   1050 C  CG  . LEU A 1 143 ? 1.566   -23.211 -26.986 1.000 12.496 0 143 LEU A CG  1 ? 
ATOM   1051 C  CD1 . LEU A 1 143 ? 0.962   -21.827 -26.787 1.000 13.483 0 143 LEU A CD1 1 ? 
ATOM   1052 C  CD2 . LEU A 1 143 ? 0.714   -24.003 -27.950 1.000 15.205 0 143 LEU A CD2 1 ? 
ATOM   1053 N  N   . SER A 1 144 ? 5.512   -24.338 -29.017 1.000 11.293 0 144 SER A N   1 ? 
ATOM   1054 C  CA  . SER A 1 144 ? 6.849   -24.183 -29.547 1.000 11.623 0 144 SER A CA  1 ? 
ATOM   1055 C  C   . SER A 1 144 ? 7.418   -22.815 -29.180 1.000 11.761 0 144 SER A C   1 ? 
ATOM   1056 O  O   . SER A 1 144 ? 6.682   -21.834 -29.076 1.000 11.923 0 144 SER A O   1 ? 
ATOM   1057 C  CB  . SER A 1 144 ? 6.858   -24.355 -31.025 1.000 12.684 0 144 SER A CB  1 ? 
ATOM   1058 O  OG  . SER A 1 144 ? 6.078   -23.356 -31.659 1.000 14.104 0 144 SER A OG  1 ? 
ATOM   1059 N  N   . ASP A 1 145 ? 8.739   -22.768 -28.983 1.000 13.128 0 145 ASP A N   1 ? 
ATOM   1060 C  CA  . ASP A 1 145 ? 9.462   -21.524 -28.744 1.000 14.031 0 145 ASP A CA  1 ? 
ATOM   1061 C  C   . ASP A 1 145 ? 9.123   -20.546 -29.861 1.000 14.129 0 145 ASP A C   1 ? 
ATOM   1062 O  O   . ASP A 1 145 ? 8.869   -19.373 -29.593 1.000 11.315 0 145 ASP A O   1 ? 
ATOM   1063 C  CB  . ASP A 1 145 ? 10.969  -21.750 -28.679 1.000 15.738 0 145 ASP A CB  1 ? 
ATOM   1064 C  CG  . ASP A 1 145 ? 11.799  -20.536 -28.278 1.000 21.734 0 145 ASP A CG  1 ? 
ATOM   1065 O  OD1 . ASP A 1 145 ? 11.461  -19.876 -27.241 1.000 22.931 0 145 ASP A OD1 1 ? 
ATOM   1066 O  OD2 . ASP A 1 145 ? 12.799  -20.245 -28.996 1.000 25.400 0 145 ASP A OD2 1 ? 
ATOM   1067 N  N   . SER A 1 146 ? 9.080   -21.003 -31.121 1.000 15.361 0 146 SER A N   1 ? 
ATOM   1068 C  CA  . SER A 1 146 ? 8.801   -20.074 -32.217 1.000 16.178 0 146 SER A CA  1 ? 
ATOM   1069 C  C   . SER A 1 146 ? 7.385   -19.496 -32.153 1.000 14.655 0 146 SER A C   1 ? 
ATOM   1070 O  O   . SER A 1 146 ? 7.203   -18.288 -32.410 1.000 14.169 0 146 SER A O   1 ? 
ATOM   1071 C  CB  . SER A 1 146 ? 9.088   -20.657 -33.607 1.000 17.941 0 146 SER A CB  1 ? 
ATOM   1072 O  OG  . SER A 1 146 ? 8.218   -21.730 -33.878 1.000 24.473 0 146 SER A OG  1 ? 
ATOM   1073 N  N   . SER A 1 147 ? 6.367   -20.281 -31.767 1.000 12.059 0 147 SER A N   1 ? 
ATOM   1074 C  CA  . SER A 1 147 ? 5.034   -19.702 -31.709 1.000 12.546 0 147 SER A CA  1 ? 
ATOM   1075 C  C   . SER A 1 147 ? 4.917   -18.794 -30.492 1.000 11.421 0 147 SER A C   1 ? 
ATOM   1076 O  O   . SER A 1 147 ? 4.219   -17.786 -30.552 1.000 12.410 0 147 SER A O   1 ? 
ATOM   1077 C  CB  . SER A 1 147 ? 3.900   -20.684 -31.772 1.000 14.712 0 147 SER A CB  1 ? 
ATOM   1078 O  OG  . SER A 1 147 ? 3.907   -21.479 -30.618 1.000 18.123 0 147 SER A OG  1 ? 
ATOM   1079 N  N   . CYS A 1 148 ? 5.683   -19.099 -29.426 1.000 11.234 0 148 CYS A N   1 ? 
ATOM   1080 C  CA  . CYS A 1 148 ? 5.702   -18.256 -28.229 1.000 9.900  0 148 CYS A CA  1 ? 
ATOM   1081 C  C   . CYS A 1 148 ? 6.259   -16.869 -28.565 1.000 11.120 0 148 CYS A C   1 ? 
ATOM   1082 O  O   . CYS A 1 148 ? 5.657   -15.852 -28.225 1.000 10.937 0 148 CYS A O   1 ? 
ATOM   1083 C  CB  . CYS A 1 148 ? 6.416   -19.026 -27.112 1.000 10.415 0 148 CYS A CB  1 ? 
ATOM   1084 S  SG  . CYS A 1 148 ? 6.338   -18.238 -25.484 1.000 9.612  0 148 CYS A SG  1 ? 
ATOM   1085 N  N   . LYS A 1 149 ? 7.423   -16.853 -29.211 1.000 11.917 0 149 LYS A N   1 ? 
ATOM   1086 C  CA  . LYS A 1 149 ? 8.092   -15.639 -29.625 1.000 12.323 0 149 LYS A CA  1 ? 
ATOM   1087 C  C   . LYS A 1 149 ? 7.251   -14.855 -30.624 1.000 12.132 0 149 LYS A C   1 ? 
ATOM   1088 O  O   . LYS A 1 149 ? 7.203   -13.609 -30.563 1.000 12.392 0 149 LYS A O   1 ? 
ATOM   1089 C  CB  . LYS A 1 149 ? 9.496   -15.938 -30.138 1.000 13.258 0 149 LYS A CB  1 ? 
ATOM   1090 C  CG  . LYS A 1 149 ? 10.409  -16.373 -29.051 1.000 14.567 0 149 LYS A CG  1 ? 
ATOM   1091 C  CD  . LYS A 1 149 ? 11.778  -16.811 -29.506 1.000 17.533 0 149 LYS A CD  1 ? 
ATOM   1092 C  CE  . LYS A 1 149 ? 12.673  -16.815 -28.302 1.000 22.079 0 149 LYS A CE  1 ? 
ATOM   1093 N  NZ  . LYS A 1 149 ? 13.904  -17.530 -28.655 1.000 26.619 0 149 LYS A NZ  1 ? 
ATOM   1094 N  N   . SER A 1 150 ? 6.546   -15.538 -31.530 1.000 12.908 0 150 SER A N   1 ? 
ATOM   1095 C  CA  . SER A 1 150 ? 5.681   -14.850 -32.485 1.000 13.474 0 150 SER A CA  1 ? 
ATOM   1096 C  C   . SER A 1 150 ? 4.476   -14.203 -31.812 1.000 12.690 0 150 SER A C   1 ? 
ATOM   1097 O  O   . SER A 1 150 ? 4.022   -13.150 -32.260 1.000 13.677 0 150 SER A O   1 ? 
ATOM   1098 C  CB  . SER A 1 150 ? 5.195   -15.775 -33.562 1.000 16.054 0 150 SER A CB  1 ? 
ATOM   1099 O  OG  . SER A 1 150 ? 6.309   -16.159 -34.349 1.000 20.191 0 150 SER A OG  1 ? 
ATOM   1100 N  N   . ALA A 1 151 ? 3.945   -14.847 -30.756 1.000 10.311 0 151 ALA A N   1 ? 
ATOM   1101 C  CA  . ALA A 1 151 ? 2.826   -14.318 -29.994 1.000 10.412 0 151 ALA A CA  1 ? 
ATOM   1102 C  C   . ALA A 1 151 ? 3.227   -13.050 -29.219 1.000 10.712 0 151 ALA A C   1 ? 
ATOM   1103 O  O   . ALA A 1 151 ? 2.427   -12.119 -29.069 1.000 10.870 0 151 ALA A O   1 ? 
ATOM   1104 C  CB  . ALA A 1 151 ? 2.301   -15.391 -29.077 1.000 10.765 0 151 ALA A CB  1 ? 
ATOM   1105 N  N   . TYR A 1 152 ? 4.478   -13.000 -28.741 1.000 9.934  0 152 TYR A N   1 ? 
ATOM   1106 C  CA  . TYR A 1 152 ? 4.951   -11.932 -27.886 1.000 9.842  0 152 TYR A CA  1 ? 
ATOM   1107 C  C   . TYR A 1 152 ? 6.319   -11.452 -28.360 1.000 10.408 0 152 TYR A C   1 ? 
ATOM   1108 O  O   . TYR A 1 152 ? 7.346   -11.696 -27.737 1.000 9.946  0 152 TYR A O   1 ? 
ATOM   1109 C  CB  . TYR A 1 152 ? 5.094   -12.458 -26.453 1.000 9.382  0 152 TYR A CB  1 ? 
ATOM   1110 C  CG  . TYR A 1 152 ? 3.766   -12.798 -25.773 1.000 8.867  0 152 TYR A CG  1 ? 
ATOM   1111 C  CD1 . TYR A 1 152 ? 2.953   -11.799 -25.265 1.000 9.003  0 152 TYR A CD1 1 ? 
ATOM   1112 C  CD2 . TYR A 1 152 ? 3.391   -14.119 -25.538 1.000 8.975  0 152 TYR A CD2 1 ? 
ATOM   1113 C  CE1 . TYR A 1 152 ? 1.753   -12.101 -24.650 1.000 9.396  0 152 TYR A CE1 1 ? 
ATOM   1114 C  CE2 . TYR A 1 152 ? 2.201   -14.438 -24.895 1.000 8.711  0 152 TYR A CE2 1 ? 
ATOM   1115 C  CZ  . TYR A 1 152 ? 1.394   -13.425 -24.426 1.000 8.827  0 152 TYR A CZ  1 ? 
ATOM   1116 O  OH  . TYR A 1 152 ? 0.220   -13.675 -23.787 1.000 10.534 0 152 TYR A OH  1 ? 
ATOM   1117 N  N   . PRO A 1 153 ? 6.376   -10.715 -29.495 1.000 10.843 0 153 PRO A N   1 ? 
ATOM   1118 C  CA  . PRO A 1 153 ? 7.630   -10.211 -30.044 1.000 12.111 0 153 PRO A CA  1 ? 
ATOM   1119 C  C   . PRO A 1 153 ? 8.472   -9.456  -29.029 1.000 11.257 0 153 PRO A C   1 ? 
ATOM   1120 O  O   . PRO A 1 153 ? 7.954   -8.637  -28.296 1.000 10.831 0 153 PRO A O   1 ? 
ATOM   1121 C  CB  . PRO A 1 153 ? 7.175   -9.260  -31.168 1.000 12.747 0 153 PRO A CB  1 ? 
ATOM   1122 C  CG  . PRO A 1 153 ? 5.776   -9.716  -31.491 1.000 13.086 0 153 PRO A CG  1 ? 
ATOM   1123 C  CD  . PRO A 1 153 ? 5.187   -10.354 -30.279 1.000 12.570 0 153 PRO A CD  1 ? 
ATOM   1124 N  N   . GLY A 1 154 ? 9.752   -9.836  -28.978 1.000 11.575 0 154 GLY A N   1 ? 
ATOM   1125 C  CA  . GLY A 1 154 ? 10.745  -9.170  -28.171 1.000 13.674 0 154 GLY A CA  1 ? 
ATOM   1126 C  C   . GLY A 1 154 ? 10.630  -9.399  -26.664 1.000 14.077 0 154 GLY A C   1 ? 
ATOM   1127 O  O   . GLY A 1 154 ? 11.306  -8.702  -25.917 1.000 16.087 0 154 GLY A O   1 ? 
ATOM   1128 N  N   . GLN A 1 155 ? 9.801   -10.359 -26.212 1.000 12.583 0 155 GLN A N   1 ? 
ATOM   1129 C  CA  . GLN A 1 155 ? 9.471   -10.446 -24.785 1.000 10.368 0 155 GLN A CA  1 ? 
ATOM   1130 C  C   . GLN A 1 155 ? 9.831   -11.792 -24.165 1.000 9.760  0 155 GLN A C   1 ? 
ATOM   1131 O  O   . GLN A 1 155 ? 9.799   -11.906 -22.945 1.000 10.375 0 155 GLN A O   1 ? 
ATOM   1132 C  CB  . GLN A 1 155 ? 7.980   -10.220 -24.553 1.000 9.765  0 155 GLN A CB  1 ? 
ATOM   1133 C  CG  . GLN A 1 155 ? 7.512   -8.848  -25.053 1.000 10.881 0 155 GLN A CG  1 ? 
ATOM   1134 C  CD  . GLN A 1 155 ? 6.029   -8.710  -25.274 1.000 13.348 0 155 GLN A CD  1 ? 
ATOM   1135 O  OE1 . GLN A 1 155 ? 5.276   -8.742  -24.300 1.000 13.899 0 155 GLN A OE1 1 ? 
ATOM   1136 N  NE2 . GLN A 1 155 ? 5.610   -8.558  -26.540 1.000 14.231 0 155 GLN A NE2 1 ? 
ATOM   1137 N  N   . ILE A 1 156 ? 10.044  -12.819 -24.994 1.000 9.618  0 156 ILE A N   1 ? 
ATOM   1138 C  CA  . ILE A 1 156 ? 10.220  -14.166 -24.476 1.000 9.311  0 156 ILE A CA  1 ? 
ATOM   1139 C  C   . ILE A 1 156 ? 11.712  -14.440 -24.335 1.000 9.378  0 156 ILE A C   1 ? 
ATOM   1140 O  O   . ILE A 1 156 ? 12.449  -14.398 -25.324 1.000 10.270 0 156 ILE A O   1 ? 
ATOM   1141 C  CB  . ILE A 1 156 ? 9.529   -15.189 -25.390 1.000 9.328  0 156 ILE A CB  1 ? 
ATOM   1142 C  CG1 . ILE A 1 156 ? 8.028   -14.935 -25.552 1.000 10.085 0 156 ILE A CG1 1 ? 
ATOM   1143 C  CG2 . ILE A 1 156 ? 9.766   -16.619 -24.908 1.000 8.983  0 156 ILE A CG2 1 ? 
ATOM   1144 C  CD1 . ILE A 1 156 ? 7.272   -14.895 -24.226 1.000 9.706  0 156 ILE A CD1 1 ? 
ATOM   1145 N  N   . THR A 1 157 ? 12.163  -14.697 -23.100 1.000 8.708  0 157 THR A N   1 ? 
ATOM   1146 C  CA  . THR A 1 157 ? 13.546  -15.054 -22.850 1.000 9.044  0 157 THR A CA  1 ? 
ATOM   1147 C  C   . THR A 1 157 ? 13.693  -16.579 -22.803 1.000 10.111 0 157 THR A C   1 ? 
ATOM   1148 O  O   . THR A 1 157 ? 12.717  -17.326 -22.799 1.000 9.839  0 157 THR A O   1 ? 
ATOM   1149 C  CB  . THR A 1 157 ? 14.034  -14.449 -21.533 1.000 9.017  0 157 THR A CB  1 ? 
ATOM   1150 O  OG1 . THR A 1 157 ? 13.405  -15.154 -20.455 1.000 8.410  0 157 THR A OG1 1 ? 
ATOM   1151 C  CG2 . THR A 1 157 ? 13.775  -12.961 -21.431 1.000 9.942  0 157 THR A CG2 1 ? 
ATOM   1152 N  N   . SER A 1 158 ? 14.937  -17.013 -22.607 1.000 10.907 0 158 SER A N   1 ? 
ATOM   1153 C  CA  . SER A 1 158 ? 15.262  -18.425 -22.512 1.000 10.261 0 158 SER A CA  1 ? 
ATOM   1154 C  C   . SER A 1 158 ? 14.752  -19.037 -21.203 1.000 9.423  0 158 SER A C   1 ? 
ATOM   1155 O  O   . SER A 1 158 ? 14.778  -20.259 -21.048 1.000 9.332  0 158 SER A O   1 ? 
ATOM   1156 C  CB  . SER A 1 158 ? 16.744  -18.609 -22.680 1.000 12.742 0 158 SER A CB  1 ? 
ATOM   1157 O  OG  . SER A 1 158 ? 17.455  -18.027 -21.605 1.000 16.397 0 158 SER A OG  1 ? 
ATOM   1158 N  N   . ASN A 1 159 ? 14.236  -18.198 -20.284 1.000 8.020  0 159 ASN A N   1 ? 
ATOM   1159 C  CA  . ASN A 1 159 ? 13.711  -18.642 -18.996 1.000 7.327  0 159 ASN A CA  1 ? 
ATOM   1160 C  C   . ASN A 1 159 ? 12.183  -18.642 -18.988 1.000 7.524  0 159 ASN A C   1 ? 
ATOM   1161 O  O   . ASN A 1 159 ? 11.587  -18.741 -17.907 1.000 7.276  0 159 ASN A O   1 ? 
ATOM   1162 C  CB  . ASN A 1 159 ? 14.221  -17.746 -17.868 1.000 7.493  0 159 ASN A CB  1 ? 
ATOM   1163 C  CG  . ASN A 1 159 ? 15.733  -17.705 -17.872 1.000 8.015  0 159 ASN A CG  1 ? 
ATOM   1164 O  OD1 . ASN A 1 159 ? 16.382  -18.765 -17.826 1.000 9.884  0 159 ASN A OD1 1 ? 
ATOM   1165 N  ND2 . ASN A 1 159 ? 16.337  -16.520 -17.905 1.000 8.423  0 159 ASN A ND2 1 ? 
ATOM   1166 N  N   . MET A 1 160 ? 11.592  -18.596 -20.204 1.000 6.986  0 160 MET A N   1 ? 
ATOM   1167 C  CA  . MET A 1 160 ? 10.137  -18.535 -20.343 1.000 6.984  0 160 MET A CA  1 ? 
ATOM   1168 C  C   . MET A 1 160 ? 9.693   -19.542 -21.396 1.000 7.332  0 160 MET A C   1 ? 
ATOM   1169 O  O   . MET A 1 160 ? 10.452  -19.827 -22.336 1.000 9.617  0 160 MET A O   1 ? 
ATOM   1170 C  CB  . MET A 1 160 ? 9.624   -17.165 -20.784 1.000 7.630  0 160 MET A CB  1 ? 
ATOM   1171 C  CG  . MET A 1 160 ? 9.969   -16.071 -19.793 1.000 7.418  0 160 MET A CG  1 ? 
ATOM   1172 S  SD  . MET A 1 160 ? 9.600   -14.486 -20.544 1.000 7.434  0 160 MET A SD  1 ? 
ATOM   1173 C  CE  . MET A 1 160 ? 10.485  -13.410 -19.402 1.000 8.483  0 160 MET A CE  1 ? 
ATOM   1174 N  N   . PHE A 1 161 ? 8.514   -20.146 -21.171 1.000 7.330  0 161 PHE A N   1 ? 
ATOM   1175 C  CA  . PHE A 1 161 ? 7.839   -20.886 -22.244 1.000 7.854  0 161 PHE A CA  1 ? 
ATOM   1176 C  C   . PHE A 1 161 ? 6.357   -20.555 -22.229 1.000 7.668  0 161 PHE A C   1 ? 
ATOM   1177 O  O   . PHE A 1 161 ? 5.787   -20.077 -21.259 1.000 8.406  0 161 PHE A O   1 ? 
ATOM   1178 C  CB  . PHE A 1 161 ? 8.086   -22.386 -22.140 1.000 8.402  0 161 PHE A CB  1 ? 
ATOM   1179 C  CG  . PHE A 1 161 ? 7.417   -23.091 -20.958 1.000 8.609  0 161 PHE A CG  1 ? 
ATOM   1180 C  CD1 . PHE A 1 161 ? 8.049   -23.127 -19.718 1.000 8.737  0 161 PHE A CD1 1 ? 
ATOM   1181 C  CD2 . PHE A 1 161 ? 6.137   -23.621 -21.021 1.000 9.741  0 161 PHE A CD2 1 ? 
ATOM   1182 C  CE1 . PHE A 1 161 ? 7.469   -23.761 -18.630 1.000 8.624  0 161 PHE A CE1 1 ? 
ATOM   1183 C  CE2 . PHE A 1 161 ? 5.553   -24.258 -19.946 1.000 9.409  0 161 PHE A CE2 1 ? 
ATOM   1184 C  CZ  . PHE A 1 161 ? 6.243   -24.350 -18.737 1.000 8.779  0 161 PHE A CZ  1 ? 
ATOM   1185 N  N   . CYS A 1 162 ? 5.736   -20.793 -23.370 1.000 8.088  0 162 CYS A N   1 ? 
ATOM   1186 C  CA  . CYS A 1 162 ? 4.313   -20.597 -23.490 1.000 8.438  0 162 CYS A CA  1 ? 
ATOM   1187 C  C   . CYS A 1 162 ? 3.619   -21.958 -23.377 1.000 8.197  0 162 CYS A C   1 ? 
ATOM   1188 O  O   . CYS A 1 162 ? 4.072   -23.001 -23.873 1.000 8.996  0 162 CYS A O   1 ? 
ATOM   1189 C  CB  . CYS A 1 162 ? 3.958   -19.972 -24.836 1.000 8.095  0 162 CYS A CB  1 ? 
ATOM   1190 S  SG  . CYS A 1 162 ? 4.407   -18.239 -25.068 1.000 8.634  0 162 CYS A SG  1 ? 
ATOM   1191 N  N   . ALA A 1 163 ? 2.422   -21.938 -22.815 1.000 8.000  0 163 ALA A N   1 ? 
ATOM   1192 C  CA  . ALA A 1 163 ? 1.548   -23.087 -22.855 1.000 8.506  0 163 ALA A CA  1 ? 
ATOM   1193 C  C   . ALA A 1 163 ? 0.104   -22.640 -22.923 1.000 7.863  0 163 ALA A C   1 ? 
ATOM   1194 O  O   . ALA A 1 163 ? -0.232  -21.546 -22.500 1.000 7.964  0 163 ALA A O   1 ? 
ATOM   1195 C  CB  . ALA A 1 163 ? 1.781   -23.924 -21.636 1.000 8.784  0 163 ALA A CB  1 ? 
ATOM   1196 N  N   . GLY A 1 164 ? -0.728  -23.478 -23.536 1.000 7.883  0 164 GLY A N   1 ? 
ATOM   1197 C  CA  . GLY A 1 164 ? -2.133  -23.210 -23.719 1.000 9.008  0 164 GLY A CA  1 ? 
ATOM   1198 C  C   . GLY A 1 164 ? -2.576  -23.352 -25.164 1.000 9.794  0 164 GLY A C   1 ? 
ATOM   1199 O  O   . GLY A 1 164 ? -2.201  -24.309 -25.844 1.000 10.591 0 164 GLY A O   1 ? 
ATOM   1200 N  N   . TYR A 1 165 ? -3.439  -22.412 -25.565 1.000 9.721  0 165 TYR A N   1 ? 
ATOM   1201 C  CA  . TYR A 1 165 ? -4.196  -22.563 -26.807 1.000 10.762 0 165 TYR A CA  1 ? 
ATOM   1202 C  C   . TYR A 1 165 ? -4.233  -21.231 -27.538 1.000 11.789 0 165 TYR A C   1 ? 
ATOM   1203 O  O   . TYR A 1 165 ? -4.800  -20.286 -27.014 1.000 13.364 0 165 TYR A O   1 ? 
ATOM   1204 C  CB  . TYR A 1 165 ? -5.585  -23.050 -26.409 1.000 11.185 0 165 TYR A CB  1 ? 
ATOM   1205 C  CG  . TYR A 1 165 ? -5.617  -24.405 -25.723 1.000 12.041 0 165 TYR A CG  1 ? 
ATOM   1206 C  CD1 . TYR A 1 165 ? -5.650  -25.573 -26.444 1.000 13.122 0 165 TYR A CD1 1 ? 
ATOM   1207 C  CD2 . TYR A 1 165 ? -5.526  -24.511 -24.335 1.000 12.823 0 165 TYR A CD2 1 ? 
ATOM   1208 C  CE1 . TYR A 1 165 ? -5.643  -26.812 -25.825 1.000 13.603 0 165 TYR A CE1 1 ? 
ATOM   1209 C  CE2 . TYR A 1 165 ? -5.526  -25.740 -23.701 1.000 12.842 0 165 TYR A CE2 1 ? 
ATOM   1210 C  CZ  . TYR A 1 165 ? -5.569  -26.903 -24.451 1.000 13.649 0 165 TYR A CZ  1 ? 
ATOM   1211 O  OH  . TYR A 1 165 ? -5.579  -28.176 -23.945 1.000 14.563 0 165 TYR A OH  1 ? 
ATOM   1212 N  N   . LEU A 1 166 ? -3.697  -21.203 -28.772 1.000 11.287 0 166 LEU A N   1 ? 
ATOM   1213 C  CA  . LEU A 1 166 ? -3.694  -19.953 -29.530 1.000 13.027 0 166 LEU A CA  1 ? 
ATOM   1214 C  C   . LEU A 1 166 ? -5.103  -19.477 -29.885 1.000 13.672 0 166 LEU A C   1 ? 
ATOM   1215 O  O   . LEU A 1 166 ? -5.309  -18.272 -30.064 1.000 15.764 0 166 LEU A O   1 ? 
ATOM   1216 C  CB  . LEU A 1 166 ? -2.813  -20.087 -30.763 1.000 12.647 0 166 LEU A CB  1 ? 
ATOM   1217 C  CG  . LEU A 1 166 ? -1.334  -20.325 -30.487 1.000 13.202 0 166 LEU A CG  1 ? 
ATOM   1218 C  CD1 . LEU A 1 166 ? -0.651  -20.484 -31.841 1.000 14.551 0 166 LEU A CD1 1 ? 
ATOM   1219 C  CD2 . LEU A 1 166 ? -0.691  -19.247 -29.652 1.000 13.482 0 166 LEU A CD2 1 ? 
ATOM   1220 N  N   . GLU A 1 167 ? -6.084  -20.381 -29.939 1.000 14.912 0 167 GLU A N   1 ? 
ATOM   1221 C  CA  . GLU A 1 167 ? -7.427  -20.016 -30.336 1.000 16.888 0 167 GLU A CA  1 ? 
ATOM   1222 C  C   . GLU A 1 167 ? -8.108  -19.219 -29.229 1.000 16.242 0 167 GLU A C   1 ? 
ATOM   1223 O  O   . GLU A 1 167 ? -9.146  -18.632 -29.493 1.000 18.474 0 167 GLU A O   1 ? 
ATOM   1224 C  CB  . GLU A 1 167 ? -8.282  -21.220 -30.726 1.000 20.243 0 167 GLU A CB  1 ? 
ATOM   1225 C  CG  . GLU A 1 167 ? -8.407  -22.280 -29.629 1.000 26.040 0 167 GLU A CG  1 ? 
ATOM   1226 C  CD  . GLU A 1 167 ? -7.380  -23.422 -29.587 1.000 28.460 0 167 GLU A CD  1 ? 
ATOM   1227 O  OE1 . GLU A 1 167 ? -7.892  -24.540 -29.252 1.000 30.655 0 167 GLU A OE1 1 ? 
ATOM   1228 O  OE2 . GLU A 1 167 ? -6.138  -23.260 -29.857 1.000 23.924 0 167 GLU A OE2 1 ? 
ATOM   1229 N  N   . GLY A 1 168 ? -7.580  -19.265 -27.992 1.000 15.012 0 168 GLY A N   1 ? 
ATOM   1230 C  CA  . GLY A 1 168 ? -8.196  -18.564 -26.876 1.000 15.447 0 168 GLY A CA  1 ? 
ATOM   1231 C  C   . GLY A 1 168 ? -9.206  -19.431 -26.105 1.000 14.294 0 168 GLY A C   1 ? 
ATOM   1232 O  O   . GLY A 1 168 ? -9.604  -20.505 -26.554 1.000 16.067 0 168 GLY A O   1 ? 
ATOM   1233 N  N   . GLY A 1 169 ? -9.672  -18.902 -24.984 1.000 11.687 0 169 GLY A N   1 ? 
ATOM   1234 C  CA  . GLY A 1 169 ? -10.743 -19.521 -24.210 1.000 11.683 0 169 GLY A CA  1 ? 
ATOM   1235 C  C   . GLY A 1 169 ? -10.268 -20.388 -23.044 1.000 10.333 0 169 GLY A C   1 ? 
ATOM   1236 O  O   . GLY A 1 169 ? -11.063 -20.690 -22.160 1.000 11.045 0 169 GLY A O   1 ? 
ATOM   1237 N  N   . LYS A 1 170 ? -8.986  -20.774 -23.035 1.000 9.674  0 170 LYS A N   1 ? 
ATOM   1238 C  CA  . LYS A 1 170 ? -8.473  -21.670 -21.999 1.000 9.511  0 170 LYS A CA  1 ? 
ATOM   1239 C  C   . LYS A 1 170 ? -7.089  -21.156 -21.597 1.000 8.948  0 170 LYS A C   1 ? 
ATOM   1240 O  O   . LYS A 1 170 ? -6.152  -21.189 -22.403 1.000 9.591  0 170 LYS A O   1 ? 
ATOM   1241 C  CB  . LYS A 1 170 ? -8.372  -23.095 -22.556 1.000 10.929 0 170 LYS A CB  1 ? 
ATOM   1242 C  CG  . LYS A 1 170 ? -9.710  -23.800 -22.724 1.000 13.733 0 170 LYS A CG  1 ? 
ATOM   1243 C  CD  . LYS A 1 170 ? -9.646  -25.239 -23.244 1.000 17.562 0 170 LYS A CD  1 ? 
ATOM   1244 C  CE  . LYS A 1 170 ? -9.338  -25.299 -24.697 1.000 24.957 0 170 LYS A CE  1 ? 
ATOM   1245 N  NZ  . LYS A 1 170 ? -9.172  -26.687 -25.172 1.000 32.593 0 170 LYS A NZ  1 ? 
ATOM   1246 N  N   . ASP A 1 171 ? -6.936  -20.735 -20.337 1.000 8.569  0 171 ASP A N   1 ? 
ATOM   1247 C  CA  . ASP A 1 171 ? -5.677  -20.159 -19.893 1.000 7.776  0 171 ASP A CA  1 ? 
ATOM   1248 C  C   . ASP A 1 171 ? -5.650  -20.070 -18.359 1.000 7.056  0 171 ASP A C   1 ? 
ATOM   1249 O  O   . ASP A 1 171 ? -6.694  -20.208 -17.697 1.000 7.817  0 171 ASP A O   1 ? 
ATOM   1250 C  CB  . ASP A 1 171 ? -5.536  -18.741 -20.467 1.000 7.814  0 171 ASP A CB  1 ? 
ATOM   1251 C  CG  . ASP A 1 171 ? -4.169  -18.079 -20.485 1.000 8.006  0 171 ASP A CG  1 ? 
ATOM   1252 O  OD1 . ASP A 1 171 ? -3.163  -18.660 -20.017 1.000 7.524  0 171 ASP A OD1 1 ? 
ATOM   1253 O  OD2 . ASP A 1 171 ? -4.150  -16.888 -20.911 1.000 7.698  0 171 ASP A OD2 1 ? 
ATOM   1254 N  N   . SER A 1 172 ? -4.481  -19.807 -17.787 1.000 6.776  0 172 SER A N   1 ? 
ATOM   1255 C  CA  . SER A 1 172 ? -4.391  -19.266 -16.437 1.000 7.185  0 172 SER A CA  1 ? 
ATOM   1256 C  C   . SER A 1 172 ? -4.662  -17.738 -16.433 1.000 7.094  0 172 SER A C   1 ? 
ATOM   1257 O  O   . SER A 1 172 ? -4.837  -17.141 -17.518 1.000 7.054  0 172 SER A O   1 ? 
ATOM   1258 C  CB  . SER A 1 172 ? -3.057  -19.646 -15.792 1.000 7.137  0 172 SER A CB  1 ? 
ATOM   1259 O  OG  . SER A 1 172 ? -1.941  -19.105 -16.490 1.000 7.548  0 172 SER A OG  1 ? 
ATOM   1260 N  N   . CYS A 1 173 ? -4.754  -17.140 -15.227 1.000 7.233  0 173 CYS A N   1 ? 
ATOM   1261 C  CA  . CYS A 1 173 ? -5.192  -15.759 -15.097 1.000 7.545  0 173 CYS A CA  1 ? 
ATOM   1262 C  C   . CYS A 1 173 ? -4.726  -15.188 -13.760 1.000 8.564  0 173 CYS A C   1 ? 
ATOM   1263 O  O   . CYS A 1 173 ? -4.105  -15.868 -12.949 1.000 8.450  0 173 CYS A O   1 ? 
ATOM   1264 C  CB  . CYS A 1 173 ? -6.713  -15.730 -15.274 1.000 7.898  0 173 CYS A CB  1 ? 
ATOM   1265 S  SG  . CYS A 1 173 ? -7.385  -14.112 -15.744 1.000 8.878  0 173 CYS A SG  1 ? 
ATOM   1266 N  N   . GLN A 1 174 ? -5.014  -13.893 -13.574 1.000 9.699  0 174 GLN A N   1 ? 
ATOM   1267 C  CA  . GLN A 1 174 ? -4.805  -13.179 -12.330 1.000 10.967 0 174 GLN A CA  1 ? 
ATOM   1268 C  C   . GLN A 1 174 ? -5.204  -14.068 -11.151 1.000 9.430  0 174 GLN A C   1 ? 
ATOM   1269 O  O   . GLN A 1 174 ? -6.335  -14.555 -11.113 1.000 9.163  0 174 GLN A O   1 ? 
ATOM   1270 C  CB  . GLN A 1 174 ? -5.625  -11.885 -12.259 1.000 12.944 0 174 GLN A CB  1 ? 
ATOM   1271 C  CG  . GLN A 1 174 ? -4.971  -10.720 -12.998 1.000 16.644 0 174 GLN A CG  1 ? 
ATOM   1272 C  CD  . GLN A 1 174 ? -4.912  -10.884 -14.509 1.000 17.784 0 174 GLN A CD  1 ? 
ATOM   1273 O  OE1 . GLN A 1 174 ? -5.907  -11.169 -15.175 1.000 21.860 0 174 GLN A OE1 1 ? 
ATOM   1274 N  NE2 . GLN A 1 174 ? -3.752  -10.617 -15.079 1.000 22.220 0 174 GLN A NE2 1 ? 
ATOM   1275 N  N   . GLY A 1 175 ? -4.288  -14.212 -10.194 1.000 8.645  0 175 GLY A N   1 ? 
ATOM   1276 C  CA  . GLY A 1 175 ? -4.582  -14.975 -8.994  1.000 7.912  0 175 GLY A CA  1 ? 
ATOM   1277 C  C   . GLY A 1 175 ? -4.056  -16.395 -9.103  1.000 7.335  0 175 GLY A C   1 ? 
ATOM   1278 O  O   . GLY A 1 175 ? -3.923  -17.051 -8.091  1.000 7.098  0 175 GLY A O   1 ? 
ATOM   1279 N  N   . ASP A 1 176 ? -3.726  -16.864 -10.311 1.000 7.001  0 176 ASP A N   1 ? 
ATOM   1280 C  CA  . ASP A 1 176 ? -3.083  -18.153 -10.478 1.000 7.340  0 176 ASP A CA  1 ? 
ATOM   1281 C  C   . ASP A 1 176 ? -1.557  -18.027 -10.360 1.000 7.191  0 176 ASP A C   1 ? 
ATOM   1282 O  O   . ASP A 1 176 ? -0.852  -19.039 -10.218 1.000 7.348  0 176 ASP A O   1 ? 
ATOM   1283 C  CB  . ASP A 1 176 ? -3.407  -18.762 -11.828 1.000 7.267  0 176 ASP A CB  1 ? 
ATOM   1284 C  CG  . ASP A 1 176 ? -4.866  -19.151 -12.004 1.000 6.960  0 176 ASP A CG  1 ? 
ATOM   1285 O  OD1 . ASP A 1 176 ? -5.409  -19.761 -11.042 1.000 7.330  0 176 ASP A OD1 1 ? 
ATOM   1286 O  OD2 . ASP A 1 176 ? -5.424  -18.926 -13.125 1.000 7.509  0 176 ASP A OD2 1 ? 
ATOM   1287 N  N   . SER A 1 177 ? -1.083  -16.786 -10.513 1.000 6.813  0 177 SER A N   1 ? 
ATOM   1288 C  CA  . SER A 1 177 ? 0.350   -16.490 -10.504 1.000 7.135  0 177 SER A CA  1 ? 
ATOM   1289 C  C   . SER A 1 177 ? 1.084   -17.237 -9.417  1.000 6.379  0 177 SER A C   1 ? 
ATOM   1290 O  O   . SER A 1 177 ? 0.597   -17.283 -8.308  1.000 6.109  0 177 SER A O   1 ? 
ATOM   1291 C  CB  . SER A 1 177 ? 0.592   -15.073 -10.332 1.000 8.210  0 177 SER A CB  1 ? 
ATOM   1292 O  OG  . SER A 1 177 ? 0.171   -14.394 -11.487 1.000 10.874 0 177 SER A OG  1 ? 
ATOM   1293 N  N   . GLY A 1 178 ? 2.260   -17.783 -9.753  1.000 6.004  0 178 GLY A N   1 ? 
ATOM   1294 C  CA  . GLY A 1 178 ? 3.067   -18.494 -8.767  1.000 6.007  0 178 GLY A CA  1 ? 
ATOM   1295 C  C   . GLY A 1 178 ? 2.795   -19.991 -8.713  1.000 6.401  0 178 GLY A C   1 ? 
ATOM   1296 O  O   . GLY A 1 178 ? 3.569   -20.745 -8.116  1.000 6.308  0 178 GLY A O   1 ? 
ATOM   1297 N  N   . GLY A 1 179 ? 1.638   -20.412 -9.268  1.000 6.273  0 179 GLY A N   1 ? 
ATOM   1298 C  CA  . GLY A 1 179 ? 1.219   -21.793 -9.175  1.000 6.239  0 179 GLY A CA  1 ? 
ATOM   1299 C  C   . GLY A 1 179 ? 1.901   -22.684 -10.196 1.000 6.579  0 179 GLY A C   1 ? 
ATOM   1300 O  O   . GLY A 1 179 ? 2.684   -22.267 -11.062 1.000 7.500  0 179 GLY A O   1 ? 
ATOM   1301 N  N   . PRO A 1 180 ? 1.562   -23.978 -10.110 1.000 6.114  0 180 PRO A N   1 ? 
ATOM   1302 C  CA  . PRO A 1 180 ? 2.231   -25.013 -10.894 1.000 6.336  0 180 PRO A CA  1 ? 
ATOM   1303 C  C   . PRO A 1 180 ? 1.767   -25.219 -12.311 1.000 6.388  0 180 PRO A C   1 ? 
ATOM   1304 O  O   . PRO A 1 180 ? 0.579   -25.157 -12.630 1.000 6.898  0 180 PRO A O   1 ? 
ATOM   1305 C  CB  . PRO A 1 180 ? 1.950   -26.276 -10.117 1.000 6.506  0 180 PRO A CB  1 ? 
ATOM   1306 C  CG  . PRO A 1 180 ? 0.585   -25.959 -9.551  1.000 5.877  0 180 PRO A CG  1 ? 
ATOM   1307 C  CD  . PRO A 1 180 ? 0.617   -24.511 -9.136  1.000 6.356  0 180 PRO A CD  1 ? 
ATOM   1308 N  N   . VAL A 1 181 ? 2.752   -25.648 -13.118 1.000 6.206  0 181 VAL A N   1 ? 
ATOM   1309 C  CA  . VAL A 1 181 ? 2.540   -26.320 -14.381 1.000 6.738  0 181 VAL A CA  1 ? 
ATOM   1310 C  C   . VAL A 1 181 ? 3.282   -27.643 -14.291 1.000 7.228  0 181 VAL A C   1 ? 
ATOM   1311 O  O   . VAL A 1 181 ? 4.505   -27.626 -14.235 1.000 7.137  0 181 VAL A O   1 ? 
ATOM   1312 C  CB  . VAL A 1 181 ? 3.081   -25.535 -15.590 1.000 6.997  0 181 VAL A CB  1 ? 
ATOM   1313 C  CG1 . VAL A 1 181 ? 2.818   -26.274 -16.890 1.000 7.682  0 181 VAL A CG1 1 ? 
ATOM   1314 C  CG2 . VAL A 1 181 ? 2.527   -24.111 -15.663 1.000 7.247  0 181 VAL A CG2 1 ? 
ATOM   1315 N  N   . VAL A 1 182 ? 2.553   -28.759 -14.218 1.000 6.771  0 182 VAL A N   1 ? 
ATOM   1316 C  CA  . VAL A 1 182 ? 3.149   -30.064 -13.988 1.000 7.211  0 182 VAL A CA  1 ? 
ATOM   1317 C  C   . VAL A 1 182 ? 2.927   -30.923 -15.219 1.000 7.074  0 182 VAL A C   1 ? 
ATOM   1318 O  O   . VAL A 1 182 ? 1.810   -31.051 -15.710 1.000 8.147  0 182 VAL A O   1 ? 
ATOM   1319 C  CB  . VAL A 1 182 ? 2.551   -30.735 -12.743 1.000 7.251  0 182 VAL A CB  1 ? 
ATOM   1320 C  CG1 . VAL A 1 182 ? 2.859   -32.246 -12.667 1.000 7.771  0 182 VAL A CG1 1 ? 
ATOM   1321 C  CG2 . VAL A 1 182 ? 2.996   -30.000 -11.491 1.000 7.637  0 182 VAL A CG2 1 ? 
ATOM   1322 N  N   . CYS A 1 183 ? 4.022   -31.537 -15.679 1.000 7.513  0 183 CYS A N   1 ? 
ATOM   1323 C  CA  . CYS A 1 183 ? 4.035   -32.313 -16.912 1.000 8.858  0 183 CYS A CA  1 ? 
ATOM   1324 C  C   . CYS A 1 183 ? 4.694   -33.637 -16.589 1.000 9.415  0 183 CYS A C   1 ? 
ATOM   1325 O  O   . CYS A 1 183 ? 5.802   -33.659 -16.067 1.000 9.179  0 183 CYS A O   1 ? 
ATOM   1326 C  CB  . CYS A 1 183 ? 4.816   -31.618 -18.029 1.000 9.657  0 183 CYS A CB  1 ? 
ATOM   1327 S  SG  . CYS A 1 183 ? 4.529   -29.848 -18.151 1.000 10.860 0 183 CYS A SG  1 ? 
ATOM   1328 N  N   . SER A 1 184 ? 3.959   -34.725 -16.822 1.000 10.869 0 184 SER A N   1 ? 
ATOM   1329 C  CA  . SER A 1 184 ? 4.449   -36.064 -16.524 1.000 11.649 0 184 SER A CA  1 ? 
ATOM   1330 C  C   . SER A 1 184 ? 5.041   -36.137 -15.108 1.000 11.043 0 184 SER A C   1 ? 
ATOM   1331 O  O   . SER A 1 184 ? 6.123   -36.707 -14.917 1.000 12.018 0 184 SER A O   1 ? 
ATOM   1332 C  CB  . SER A 1 184 ? 5.461   -36.457 -17.557 1.000 13.081 0 184 SER A CB  1 ? 
ATOM   1333 O  OG  . SER A 1 184 ? 4.907   -36.389 -18.866 1.000 14.769 0 184 SER A OG  1 ? 
ATOM   1334 N  N   . GLY A 1 185 ? 4.372   -35.526 -14.132 1.000 10.700 0 185 GLY A N   1 ? 
ATOM   1335 C  CA  . GLY A 1 185 ? 4.727   -35.678 -12.731 1.000 11.570 0 185 GLY A CA  1 ? 
ATOM   1336 C  C   . GLY A 1 185 ? 5.910   -34.804 -12.323 1.000 11.303 0 185 GLY A C   1 ? 
ATOM   1337 O  O   . GLY A 1 185 ? 6.429   -35.006 -11.228 1.000 11.775 0 185 GLY A O   1 ? 
ATOM   1338 N  N   . LYS A 1 186 ? 6.282   -33.806 -13.142 1.000 10.800 0 186 LYS A N   1 ? 
ATOM   1339 C  CA  . LYS A 1 186 ? 7.407   -32.924 -12.830 1.000 9.957  0 186 LYS A CA  1 ? 
ATOM   1340 C  C   . LYS A 1 186 ? 6.955   -31.463 -12.894 1.000 8.538  0 186 LYS A C   1 ? 
ATOM   1341 O  O   . LYS A 1 186 ? 6.221   -31.084 -13.790 1.000 8.950  0 186 LYS A O   1 ? 
ATOM   1342 C  CB  . LYS A 1 186 ? 8.588   -33.086 -13.800 1.000 12.451 0 186 LYS A CB  1 ? 
ATOM   1343 C  CG  . LYS A 1 186 ? 9.072   -34.499 -14.129 1.000 14.088 0 186 LYS A CG  1 ? 
ATOM   1344 C  CD  . LYS A 1 186 ? 9.546   -35.205 -12.865 1.000 16.439 0 186 LYS A CD  1 ? 
ATOM   1345 C  CE  . LYS A 1 186 ? 9.751   -36.651 -13.186 1.000 20.715 0 186 LYS A CE  1 ? 
ATOM   1346 N  NZ  . LYS A 1 186 ? 10.735  -37.257 -12.303 1.000 26.277 0 186 LYS A NZ  1 ? 
ATOM   1347 N  N   . LEU A 1 187 ? 7.444   -30.640 -11.959 1.000 8.352  0 187 LEU A N   1 ? 
ATOM   1348 C  CA  . LEU A 1 187 ? 7.135   -29.225 -11.988 1.000 8.165  0 187 LEU A CA  1 ? 
ATOM   1349 C  C   . LEU A 1 187 ? 7.970   -28.553 -13.090 1.000 7.417  0 187 LEU A C   1 ? 
ATOM   1350 O  O   . LEU A 1 187 ? 9.134   -28.254 -12.890 1.000 9.482  0 187 LEU A O   1 ? 
ATOM   1351 C  CB  . LEU A 1 187 ? 7.414   -28.608 -10.619 1.000 8.152  0 187 LEU A CB  1 ? 
ATOM   1352 C  CG  . LEU A 1 187 ? 7.033   -27.126 -10.512 1.000 8.646  0 187 LEU A CG  1 ? 
ATOM   1353 C  CD1 . LEU A 1 187 ? 5.524   -26.923 -10.568 1.000 9.748  0 187 LEU A CD1 1 ? 
ATOM   1354 C  CD2 . LEU A 1 187 ? 7.614   -26.516 -9.244  1.000 8.850  0 187 LEU A CD2 1 ? 
ATOM   1355 N  N   . GLN A 1 188 ? 7.354   -28.233 -14.226 1.000 7.862  0 188 GLN A N   1 ? 
ATOM   1356 C  CA  . GLN A 1 188 ? 8.080   -27.654 -15.333 1.000 7.853  0 188 GLN A CA  1 ? 
ATOM   1357 C  C   . GLN A 1 188 ? 7.877   -26.145 -15.470 1.000 7.382  0 188 GLN A C   1 ? 
ATOM   1358 O  O   . GLN A 1 188 ? 8.711   -25.447 -16.057 1.000 7.298  0 188 GLN A O   1 ? 
ATOM   1359 C  CB  . GLN A 1 188 ? 7.766   -28.315 -16.667 1.000 8.544  0 188 GLN A CB  1 ? 
ATOM   1360 C  CG  . GLN A 1 188 ? 8.228   -29.766 -16.778 1.000 8.269  0 188 GLN A CG  1 ? 
ATOM   1361 C  CD  . GLN A 1 188 ? 9.709   -29.952 -17.017 1.000 9.999  0 188 GLN A CD  1 ? 
ATOM   1362 O  OE1 . GLN A 1 188 ? 10.521  -29.034 -16.940 1.000 10.456 0 188 GLN A OE1 1 ? 
ATOM   1363 N  NE2 . GLN A 1 188 ? 10.085  -31.201 -17.250 1.000 10.422 0 188 GLN A NE2 1 ? 
ATOM   1364 N  N   . GLY A 1 189 ? 6.781   -25.622 -14.898 1.000 7.570  0 189 GLY A N   1 ? 
ATOM   1365 C  CA  . GLY A 1 189 ? 6.536   -24.199 -15.051 1.000 7.030  0 189 GLY A CA  1 ? 
ATOM   1366 C  C   . GLY A 1 189 ? 5.913   -23.569 -13.810 1.000 6.742  0 189 GLY A C   1 ? 
ATOM   1367 O  O   . GLY A 1 189 ? 5.357   -24.256 -12.959 1.000 6.665  0 189 GLY A O   1 ? 
ATOM   1368 N  N   . ILE A 1 190 ? 5.989   -22.242 -13.778 1.000 6.681  0 190 ILE A N   1 ? 
ATOM   1369 C  CA  . ILE A 1 190 ? 5.374   -21.408 -12.774 1.000 6.787  0 190 ILE A CA  1 ? 
ATOM   1370 C  C   . ILE A 1 190 ? 4.511   -20.390 -13.511 1.000 6.336  0 190 ILE A C   1 ? 
ATOM   1371 O  O   . ILE A 1 190 ? 4.971   -19.764 -14.451 1.000 7.493  0 190 ILE A O   1 ? 
ATOM   1372 C  CB  . ILE A 1 190 ? 6.457   -20.744 -11.912 1.000 7.213  0 190 ILE A CB  1 ? 
ATOM   1373 C  CG1 . ILE A 1 190 ? 7.372   -21.763 -11.236 1.000 9.378  0 190 ILE A CG1 1 ? 
ATOM   1374 C  CG2 . ILE A 1 190 ? 5.786   -19.748 -10.961 1.000 7.162  0 190 ILE A CG2 1 ? 
ATOM   1375 C  CD1 . ILE A 1 190 ? 8.580   -21.090 -10.623 1.000 9.911  0 190 ILE A CD1 1 ? 
ATOM   1376 N  N   . VAL A 1 191 ? 3.245   -20.232 -13.111 1.000 6.096  0 191 VAL A N   1 ? 
ATOM   1377 C  CA  . VAL A 1 191 ? 2.360   -19.242 -13.733 1.000 5.806  0 191 VAL A CA  1 ? 
ATOM   1378 C  C   . VAL A 1 191 ? 2.987   -17.852 -13.583 1.000 5.909  0 191 VAL A C   1 ? 
ATOM   1379 O  O   . VAL A 1 191 ? 3.166   -17.375 -12.457 1.000 6.603  0 191 VAL A O   1 ? 
ATOM   1380 C  CB  . VAL A 1 191 ? 0.942   -19.274 -13.104 1.000 5.856  0 191 VAL A CB  1 ? 
ATOM   1381 C  CG1 . VAL A 1 191 ? 0.018   -18.250 -13.760 1.000 6.192  0 191 VAL A CG1 1 ? 
ATOM   1382 C  CG2 . VAL A 1 191 ? 0.323   -20.665 -13.127 1.000 6.006  0 191 VAL A CG2 1 ? 
ATOM   1383 N  N   . SER A 1 192 ? 3.270   -17.177 -14.723 1.000 6.321  0 192 SER A N   1 ? 
ATOM   1384 C  CA  . SER A 1 192 ? 4.030   -15.932 -14.670 1.000 6.224  0 192 SER A CA  1 ? 
ATOM   1385 C  C   . SER A 1 192 ? 3.250   -14.757 -15.271 1.000 6.871  0 192 SER A C   1 ? 
ATOM   1386 O  O   . SER A 1 192 ? 2.976   -13.807 -14.540 1.000 8.120  0 192 SER A O   1 ? 
ATOM   1387 C  CB  . SER A 1 192 ? 5.406   -16.104 -15.291 1.000 7.013  0 192 SER A CB  1 ? 
ATOM   1388 O  OG  . SER A 1 192 ? 6.196   -14.919 -15.170 1.000 6.452  0 192 SER A OG  1 ? 
ATOM   1389 N  N   . TRP A 1 193 ? 2.934   -14.776 -16.575 1.000 6.887  0 193 TRP A N   1 ? 
ATOM   1390 C  CA  . TRP A 1 193 ? 2.331   -13.605 -17.180 1.000 6.873  0 193 TRP A CA  1 ? 
ATOM   1391 C  C   . TRP A 1 193 ? 1.578   -13.939 -18.469 1.000 7.582  0 193 TRP A C   1 ? 
ATOM   1392 O  O   . TRP A 1 193 ? 1.524   -15.090 -18.861 1.000 7.021  0 193 TRP A O   1 ? 
ATOM   1393 C  CB  . TRP A 1 193 ? 3.373   -12.498 -17.362 1.000 6.515  0 193 TRP A CB  1 ? 
ATOM   1394 C  CG  . TRP A 1 193 ? 4.513   -12.777 -18.301 1.000 7.050  0 193 TRP A CG  1 ? 
ATOM   1395 C  CD1 . TRP A 1 193 ? 5.711   -13.370 -18.027 1.000 6.988  0 193 TRP A CD1 1 ? 
ATOM   1396 C  CD2 . TRP A 1 193 ? 4.573   -12.343 -19.674 1.000 7.400  0 193 TRP A CD2 1 ? 
ATOM   1397 N  NE1 . TRP A 1 193 ? 6.487   -13.391 -19.161 1.000 7.070  0 193 TRP A NE1 1 ? 
ATOM   1398 C  CE2 . TRP A 1 193 ? 5.831   -12.761 -20.174 1.000 7.888  0 193 TRP A CE2 1 ? 
ATOM   1399 C  CE3 . TRP A 1 193 ? 3.698   -11.651 -20.538 1.000 8.379  0 193 TRP A CE3 1 ? 
ATOM   1400 C  CZ2 . TRP A 1 193 ? 6.261   -12.510 -21.476 1.000 8.241  0 193 TRP A CZ2 1 ? 
ATOM   1401 C  CZ3 . TRP A 1 193 ? 4.115   -11.415 -21.824 1.000 8.762  0 193 TRP A CZ3 1 ? 
ATOM   1402 C  CH2 . TRP A 1 193 ? 5.369   -11.816 -22.276 1.000 8.744  0 193 TRP A CH2 1 ? 
ATOM   1403 N  N   . GLY A 1 194 ? 0.963   -12.918 -19.083 1.000 8.490  0 194 GLY A N   1 ? 
ATOM   1404 C  CA  . GLY A 1 194 ? 0.285   -13.031 -20.365 1.000 9.402  0 194 GLY A CA  1 ? 
ATOM   1405 C  C   . GLY A 1 194 ? -0.540  -11.767 -20.585 1.000 10.503 0 194 GLY A C   1 ? 
ATOM   1406 O  O   . GLY A 1 194 ? -0.849  -11.088 -19.612 1.000 12.509 0 194 GLY A O   1 ? 
ATOM   1407 N  N   . SER A 1 195 ? -0.951  -11.530 -21.822 1.000 10.369 0 195 SER A N   1 ? 
ATOM   1408 C  CA  . SER A 1 195 ? -1.716  -10.342 -22.135 1.000 11.215 0 195 SER A CA  1 ? 
ATOM   1409 C  C   . SER A 1 195 ? -3.191  -10.645 -21.933 1.000 9.613  0 195 SER A C   1 ? 
ATOM   1410 O  O   . SER A 1 195 ? -3.799  -11.448 -22.649 1.000 11.413 0 195 SER A O   1 ? 
ATOM   1411 C  CB  . SER A 1 195 ? -1.461  -9.905  -23.510 1.000 12.888 0 195 SER A CB  1 ? 
ATOM   1412 O  OG  . SER A 1 195 ? -2.241  -8.729  -23.725 1.000 17.548 0 195 SER A OG  1 ? 
ATOM   1413 N  N   . GLY A 1 196 ? -3.771  -10.085 -20.893 1.000 8.687  0 196 GLY A N   1 ? 
ATOM   1414 C  CA  . GLY A 1 196 ? -5.113  -10.487 -20.517 1.000 8.410  0 196 GLY A CA  1 ? 
ATOM   1415 C  C   . GLY A 1 196 ? -5.109  -11.970 -20.137 1.000 8.736  0 196 GLY A C   1 ? 
ATOM   1416 O  O   . GLY A 1 196 ? -4.085  -12.472 -19.681 1.000 10.323 0 196 GLY A O   1 ? 
ATOM   1417 N  N   . CYS A 1 197 ? -6.247  -12.640 -20.265 1.000 8.310  0 197 CYS A N   1 ? 
ATOM   1418 C  CA  . CYS A 1 197 ? -6.346  -14.066 -20.048 1.000 8.908  0 197 CYS A CA  1 ? 
ATOM   1419 C  C   . CYS A 1 197 ? -7.176  -14.675 -21.165 1.000 9.103  0 197 CYS A C   1 ? 
ATOM   1420 O  O   . CYS A 1 197 ? -8.287  -14.211 -21.436 1.000 8.792  0 197 CYS A O   1 ? 
ATOM   1421 C  CB  . CYS A 1 197 ? -7.036  -14.366 -18.711 1.000 9.545  0 197 CYS A CB  1 ? 
ATOM   1422 S  SG  . CYS A 1 197 ? -6.256  -13.494 -17.324 1.000 10.378 0 197 CYS A SG  1 ? 
ATOM   1423 N  N   . ALA A 1 198 ? -6.698  -15.797 -21.688 1.000 9.576  0 198 ALA A N   1 ? 
ATOM   1424 C  CA  . ALA A 1 198 ? -7.462  -16.631 -22.614 1.000 8.843  0 198 ALA A CA  1 ? 
ATOM   1425 C  C   . ALA A 1 198 ? -7.810  -15.872 -23.897 1.000 10.158 0 198 ALA A C   1 ? 
ATOM   1426 O  O   . ALA A 1 198 ? -8.785  -16.225 -24.577 1.000 11.448 0 198 ALA A O   1 ? 
ATOM   1427 C  CB  . ALA A 1 198 ? -8.722  -17.148 -21.968 1.000 9.800  0 198 ALA A CB  1 ? 
ATOM   1428 N  N   . GLN A 1 199 ? -6.979  -14.890 -24.243 1.000 10.036 0 199 GLN A N   1 ? 
ATOM   1429 C  CA  . GLN A 1 199 ? -7.218  -14.131 -25.459 1.000 11.161 0 199 GLN A CA  1 ? 
ATOM   1430 C  C   . GLN A 1 199 ? -6.602  -14.875 -26.640 1.000 11.599 0 199 GLN A C   1 ? 
ATOM   1431 O  O   . GLN A 1 199 ? -5.543  -15.478 -26.535 1.000 10.621 0 199 GLN A O   1 ? 
ATOM   1432 C  CB  . GLN A 1 199 ? -6.621  -12.743 -25.310 1.000 12.604 0 199 GLN A CB  1 ? 
ATOM   1433 C  CG  . GLN A 1 199 ? -7.226  -11.904 -24.190 1.000 13.335 0 199 GLN A CG  1 ? 
ATOM   1434 C  CD  . GLN A 1 199 ? -8.716  -11.735 -24.330 1.000 15.637 0 199 GLN A CD  1 ? 
ATOM   1435 O  OE1 . GLN A 1 199 ? -9.183  -11.074 -25.273 1.000 21.985 0 199 GLN A OE1 1 ? 
ATOM   1436 N  NE2 . GLN A 1 199 ? -9.493  -12.363 -23.450 1.000 16.887 0 199 GLN A NE2 1 ? 
ATOM   1437 N  N   . LYS A 1 200 ? -7.209  -14.722 -27.822 1.000 12.021 0 200 LYS A N   1 ? 
ATOM   1438 C  CA  . LYS A 1 200 ? -6.664  -15.309 -29.031 1.000 13.348 0 200 LYS A CA  1 ? 
ATOM   1439 C  C   . LYS A 1 200 ? -5.248  -14.786 -29.284 1.000 11.894 0 200 LYS A C   1 ? 
ATOM   1440 O  O   . LYS A 1 200 ? -4.942  -13.600 -29.121 1.000 12.608 0 200 LYS A O   1 ? 
ATOM   1441 C  CB  . LYS A 1 200 ? -7.578  -15.014 -30.228 1.000 15.389 0 200 LYS A CB  1 ? 
ATOM   1442 C  CG  . LYS A 1 200 ? -7.145  -15.546 -31.584 1.000 20.275 0 200 LYS A CG  1 ? 
ATOM   1443 C  CD  . LYS A 1 200 ? -8.225  -15.272 -32.642 1.000 23.166 0 200 LYS A CD  1 ? 
ATOM   1444 C  CE  . LYS A 1 200 ? -7.735  -15.066 -34.040 1.000 31.245 0 200 LYS A CE  1 ? 
ATOM   1445 N  NZ  . LYS A 1 200 ? -6.927  -16.181 -34.518 1.000 35.441 0 200 LYS A NZ  1 ? 
ATOM   1446 N  N   . ASN A 1 201 ? -4.360  -15.716 -29.646 1.000 11.615 0 201 ASN A N   1 ? 
ATOM   1447 C  CA  . ASN A 1 201 ? -2.973  -15.441 -29.993 1.000 14.279 0 201 ASN A CA  1 ? 
ATOM   1448 C  C   . ASN A 1 201 ? -2.154  -14.907 -28.813 1.000 15.156 0 201 ASN A C   1 ? 
ATOM   1449 O  O   . ASN A 1 201 ? -1.069  -14.379 -29.047 1.000 16.631 0 201 ASN A O   1 ? 
ATOM   1450 C  CB  . ASN A 1 201 ? -2.851  -14.530 -31.212 1.000 16.145 0 201 ASN A CB  1 ? 
ATOM   1451 C  CG  . ASN A 1 201 ? -3.298  -15.262 -32.459 1.000 21.242 0 201 ASN A CG  1 ? 
ATOM   1452 O  OD1 . ASN A 1 201 ? -4.001  -14.689 -33.306 1.000 24.442 0 201 ASN A OD1 1 ? 
ATOM   1453 N  ND2 . ASN A 1 201 ? -2.919  -16.527 -32.565 1.000 22.872 0 201 ASN A ND2 1 ? 
ATOM   1454 N  N   . LYS A 1 202 ? -2.652  -15.036 -27.566 1.000 12.632 0 202 LYS A N   1 ? 
ATOM   1455 C  CA  . LYS A 1 202 ? -1.945  -14.538 -26.396 1.000 13.224 0 202 LYS A CA  1 ? 
ATOM   1456 C  C   . LYS A 1 202 ? -1.947  -15.613 -25.312 1.000 11.266 0 202 LYS A C   1 ? 
ATOM   1457 O  O   . LYS A 1 202 ? -2.678  -15.527 -24.335 1.000 10.982 0 202 LYS A O   1 ? 
ATOM   1458 C  CB  . LYS A 1 202 ? -2.521  -13.224 -25.879 1.000 14.524 0 202 LYS A CB  1 ? 
ATOM   1459 C  CG  . LYS A 1 202 ? -2.425  -12.050 -26.867 1.000 16.903 0 202 LYS A CG  1 ? 
ATOM   1460 C  CD  . LYS A 1 202 ? -0.972  -11.614 -27.080 1.000 19.757 0 202 LYS A CD  1 ? 
ATOM   1461 C  CE  . LYS A 1 202 ? -0.757  -10.420 -27.951 1.000 21.361 0 202 LYS A CE  1 ? 
ATOM   1462 N  NZ  . LYS A 1 202 ? 0.669   -10.090 -28.057 1.000 18.714 0 202 LYS A NZ  1 ? 
ATOM   1463 N  N   . PRO A 1 203 ? -1.138  -16.669 -25.514 1.000 10.677 0 203 PRO A N   1 ? 
ATOM   1464 C  CA  . PRO A 1 203 ? -1.120  -17.802 -24.597 1.000 9.619  0 203 PRO A CA  1 ? 
ATOM   1465 C  C   . PRO A 1 203 ? -0.456  -17.398 -23.276 1.000 8.448  0 203 PRO A C   1 ? 
ATOM   1466 O  O   . PRO A 1 203 ? 0.145   -16.329 -23.142 1.000 9.426  0 203 PRO A O   1 ? 
ATOM   1467 C  CB  . PRO A 1 203 ? -0.350  -18.846 -25.359 1.000 10.194 0 203 PRO A CB  1 ? 
ATOM   1468 C  CG  . PRO A 1 203 ? 0.624   -18.030 -26.165 1.000 10.428 0 203 PRO A CG  1 ? 
ATOM   1469 C  CD  . PRO A 1 203 ? -0.191  -16.844 -26.620 1.000 10.614 0 203 PRO A CD  1 ? 
ATOM   1470 N  N   . GLY A 1 204 ? -0.618  -18.254 -22.266 1.000 7.799  0 204 GLY A N   1 ? 
ATOM   1471 C  CA  . GLY A 1 204 ? 0.103   -18.044 -21.025 1.000 6.875  0 204 GLY A CA  1 ? 
ATOM   1472 C  C   . GLY A 1 204 ? 1.613   -18.164 -21.205 1.000 6.995  0 204 GLY A C   1 ? 
ATOM   1473 O  O   . GLY A 1 204 ? 2.094   -19.032 -21.922 1.000 6.784  0 204 GLY A O   1 ? 
ATOM   1474 N  N   . VAL A 1 205 ? 2.326   -17.420 -20.357 1.000 6.305  0 205 VAL A N   1 ? 
ATOM   1475 C  CA  . VAL A 1 205 ? 3.764   -17.456 -20.294 1.000 6.084  0 205 VAL A CA  1 ? 
ATOM   1476 C  C   . VAL A 1 205 ? 4.145   -17.911 -18.890 1.000 6.485  0 205 VAL A C   1 ? 
ATOM   1477 O  O   . VAL A 1 205 ? 3.656   -17.406 -17.872 1.000 7.314  0 205 VAL A O   1 ? 
ATOM   1478 C  CB  . VAL A 1 205 ? 4.422   -16.105 -20.645 1.000 6.392  0 205 VAL A CB  1 ? 
ATOM   1479 C  CG1 . VAL A 1 205 ? 5.920   -16.304 -20.817 1.000 7.104  0 205 VAL A CG1 1 ? 
ATOM   1480 C  CG2 . VAL A 1 205 ? 3.826   -15.555 -21.927 1.000 6.235  0 205 VAL A CG2 1 ? 
ATOM   1481 N  N   . TYR A 1 206 ? 5.091   -18.872 -18.847 1.000 6.411  0 206 TYR A N   1 ? 
ATOM   1482 C  CA  . TYR A 1 206 ? 5.465   -19.594 -17.644 1.000 6.426  0 206 TYR A CA  1 ? 
ATOM   1483 C  C   . TYR A 1 206 ? 6.972   -19.524 -17.433 1.000 6.531  0 206 TYR A C   1 ? 
ATOM   1484 O  O   . TYR A 1 206 ? 7.768   -19.646 -18.386 1.000 6.717  0 206 TYR A O   1 ? 
ATOM   1485 C  CB  . TYR A 1 206 ? 4.965   -21.048 -17.823 1.000 6.024  0 206 TYR A CB  1 ? 
ATOM   1486 C  CG  . TYR A 1 206 ? 3.449   -21.064 -17.948 1.000 6.073  0 206 TYR A CG  1 ? 
ATOM   1487 C  CD1 . TYR A 1 206 ? 2.660   -21.081 -16.791 1.000 5.994  0 206 TYR A CD1 1 ? 
ATOM   1488 C  CD2 . TYR A 1 206 ? 2.821   -21.017 -19.190 1.000 6.074  0 206 TYR A CD2 1 ? 
ATOM   1489 C  CE1 . TYR A 1 206 ? 1.279   -21.058 -16.837 1.000 6.062  0 206 TYR A CE1 1 ? 
ATOM   1490 C  CE2 . TYR A 1 206 ? 1.434   -21.020 -19.260 1.000 6.100  0 206 TYR A CE2 1 ? 
ATOM   1491 C  CZ  . TYR A 1 206 ? 0.676   -21.039 -18.082 1.000 6.375  0 206 TYR A CZ  1 ? 
ATOM   1492 O  OH  . TYR A 1 206 ? -0.684  -20.961 -18.204 1.000 6.839  0 206 TYR A OH  1 ? 
ATOM   1493 N  N   . THR A 1 207 ? 7.379   -19.442 -16.162 1.000 6.139  0 207 THR A N   1 ? 
ATOM   1494 C  CA  . THR A 1 207 ? 8.789   -19.564 -15.845 1.000 6.441  0 207 THR A CA  1 ? 
ATOM   1495 C  C   . THR A 1 207 ? 9.263   -20.991 -16.104 1.000 6.751  0 207 THR A C   1 ? 
ATOM   1496 O  O   . THR A 1 207 ? 8.634   -21.950 -15.681 1.000 6.651  0 207 THR A O   1 ? 
ATOM   1497 C  CB  . THR A 1 207 ? 9.039   -19.216 -14.377 1.000 6.298  0 207 THR A CB  1 ? 
ATOM   1498 O  OG1 . THR A 1 207 ? 8.378   -17.973 -14.112 1.000 5.663  0 207 THR A OG1 1 ? 
ATOM   1499 C  CG2 . THR A 1 207 ? 10.528  -19.222 -14.101 1.000 6.520  0 207 THR A CG2 1 ? 
ATOM   1500 N  N   . LYS A 1 208 ? 10.419  -21.113 -16.772 1.000 5.914  0 208 LYS A N   1 ? 
ATOM   1501 C  CA  . LYS A 1 208 ? 10.913  -22.421 -17.177 1.000 6.874  0 208 LYS A CA  1 ? 
ATOM   1502 C  C   . LYS A 1 208 ? 11.759  -23.033 -16.060 1.000 6.664  0 208 LYS A C   1 ? 
ATOM   1503 O  O   . LYS A 1 208 ? 12.961  -22.809 -15.932 1.000 6.333  0 208 LYS A O   1 ? 
ATOM   1504 C  CB  . LYS A 1 208 ? 11.686  -22.233 -18.492 1.000 7.973  0 208 LYS A CB  1 ? 
ATOM   1505 C  CG  . LYS A 1 208 ? 12.106  -23.547 -19.136 1.000 9.593  0 208 LYS A CG  1 ? 
ATOM   1506 C  CD  . LYS A 1 208 ? 12.730  -23.305 -20.503 1.000 10.223 0 208 LYS A CD  1 ? 
ATOM   1507 C  CE  . LYS A 1 208 ? 13.177  -24.585 -21.127 1.000 12.849 0 208 LYS A CE  1 ? 
ATOM   1508 N  NZ  . LYS A 1 208 ? 13.606  -24.384 -22.499 1.000 16.568 0 208 LYS A NZ  1 ? 
ATOM   1509 N  N   . VAL A 1 209 ? 11.121  -23.851 -15.219 1.000 7.088  0 209 VAL A N   1 ? 
ATOM   1510 C  CA  . VAL A 1 209 ? 11.677  -24.320 -13.965 1.000 6.909  0 209 VAL A CA  1 ? 
ATOM   1511 C  C   . VAL A 1 209 ? 12.965  -25.118 -14.204 1.000 7.556  0 209 VAL A C   1 ? 
ATOM   1512 O  O   . VAL A 1 209 ? 13.861  -25.069 -13.375 1.000 7.723  0 209 VAL A O   1 ? 
ATOM   1513 C  CB  . VAL A 1 209 ? 10.625  -25.108 -13.147 1.000 7.149  0 209 VAL A CB  1 ? 
ATOM   1514 C  CG1 . VAL A 1 209 ? 11.239  -25.811 -11.920 1.000 7.178  0 209 VAL A CG1 1 ? 
ATOM   1515 C  CG2 . VAL A 1 209 ? 9.465   -24.212 -12.732 1.000 7.394  0 209 VAL A CG2 1 ? 
ATOM   1516 N  N   . CYS A 1 210 ? 13.032  -25.913 -15.283 1.000 8.217  0 210 CYS A N   1 ? 
ATOM   1517 C  CA  . CYS A 1 210 ? 14.222  -26.734 -15.476 1.000 8.422  0 210 CYS A CA  1 ? 
ATOM   1518 C  C   . CYS A 1 210 ? 15.508  -25.918 -15.464 1.000 9.087  0 210 CYS A C   1 ? 
ATOM   1519 O  O   . CYS A 1 210 ? 16.566  -26.435 -15.120 1.000 10.937 0 210 CYS A O   1 ? 
ATOM   1520 C  CB  . CYS A 1 210 ? 14.071  -27.582 -16.731 1.000 9.379  0 210 CYS A CB  1 ? 
ATOM   1521 S  SG  . CYS A 1 210 ? 13.993  -26.592 -18.234 1.000 9.624  0 210 CYS A SG  1 ? 
ATOM   1522 N  N   . ASN A 1 211 ? 15.470  -24.641 -15.845 1.000 8.227  0 211 ASN A N   1 ? 
ATOM   1523 C  CA  . ASN A 1 211 ? 16.657  -23.795 -15.821 1.000 8.629  0 211 ASN A CA  1 ? 
ATOM   1524 C  C   . ASN A 1 211 ? 17.136  -23.441 -14.409 1.000 8.902  0 211 ASN A C   1 ? 
ATOM   1525 O  O   . ASN A 1 211 ? 18.269  -22.957 -14.247 1.000 10.489 0 211 ASN A O   1 ? 
ATOM   1526 C  CB  . ASN A 1 211 ? 16.410  -22.471 -16.537 1.000 8.276  0 211 ASN A CB  1 ? 
ATOM   1527 C  CG  . ASN A 1 211 ? 16.153  -22.607 -18.016 1.000 9.420  0 211 ASN A CG  1 ? 
ATOM   1528 O  OD1 . ASN A 1 211 ? 16.200  -23.720 -18.565 1.000 10.113 0 211 ASN A OD1 1 ? 
ATOM   1529 N  ND2 . ASN A 1 211 ? 15.877  -21.481 -18.671 1.000 10.127 0 211 ASN A ND2 1 ? 
ATOM   1530 N  N   . TYR A 1 212 ? 16.330  -23.722 -13.399 1.000 8.876  0 212 TYR A N   1 ? 
ATOM   1531 C  CA  . TYR A 1 212 ? 16.537  -23.215 -12.051 1.000 8.686  0 212 TYR A CA  1 ? 
ATOM   1532 C  C   . TYR A 1 212 ? 16.826  -24.310 -11.030 1.000 8.769  0 212 TYR A C   1 ? 
ATOM   1533 O  O   . TYR A 1 212 ? 16.966  -24.005 -9.857  1.000 9.596  0 212 TYR A O   1 ? 
ATOM   1534 C  CB  . TYR A 1 212 ? 15.305  -22.427 -11.605 1.000 8.346  0 212 TYR A CB  1 ? 
ATOM   1535 C  CG  . TYR A 1 212 ? 15.157  -21.184 -12.464 1.000 7.352  0 212 TYR A CG  1 ? 
ATOM   1536 C  CD1 . TYR A 1 212 ? 16.001  -20.093 -12.302 1.000 7.160  0 212 TYR A CD1 1 ? 
ATOM   1537 C  CD2 . TYR A 1 212 ? 14.191  -21.108 -13.459 1.000 7.358  0 212 TYR A CD2 1 ? 
ATOM   1538 C  CE1 . TYR A 1 212 ? 15.895  -18.972 -13.100 1.000 6.554  0 212 TYR A CE1 1 ? 
ATOM   1539 C  CE2 . TYR A 1 212 ? 14.110  -20.004 -14.282 1.000 7.024  0 212 TYR A CE2 1 ? 
ATOM   1540 C  CZ  . TYR A 1 212 ? 14.916  -18.917 -14.063 1.000 6.466  0 212 TYR A CZ  1 ? 
ATOM   1541 O  OH  . TYR A 1 212 ? 14.829  -17.851 -14.925 1.000 7.565  0 212 TYR A OH  1 ? 
ATOM   1542 N  N   . VAL A 1 213 ? 16.891  -25.571 -11.465 1.000 10.691 0 213 VAL A N   1 ? 
ATOM   1543 C  CA  . VAL A 1 213 ? 16.993  -26.657 -10.521 1.000 11.080 0 213 VAL A CA  1 ? 
ATOM   1544 C  C   . VAL A 1 213 ? 18.318  -26.575 -9.757  1.000 9.582  0 213 VAL A C   1 ? 
ATOM   1545 O  O   . VAL A 1 213 ? 18.326  -26.871 -8.565  1.000 9.269  0 213 VAL A O   1 ? 
ATOM   1546 C  CB  . VAL A 1 213 ? 16.791  -27.985 -11.267 1.000 12.765 0 213 VAL A CB  1 ? 
ATOM   1547 C  CG1 . VAL A 1 213 ? 17.189  -29.190 -10.421 1.000 14.964 0 213 VAL A CG1 1 ? 
ATOM   1548 C  CG2 . VAL A 1 213 ? 15.345  -28.137 -11.761 1.000 12.946 0 213 VAL A CG2 1 ? 
ATOM   1549 N  N   . SER A 1 214 ? 19.411  -26.190 -10.419 1.000 9.573  0 214 SER A N   1 ? 
ATOM   1550 C  CA  . SER A 1 214 ? 20.694  -26.039 -9.728  1.000 11.123 0 214 SER A CA  1 ? 
ATOM   1551 C  C   . SER A 1 214 ? 20.602  -24.997 -8.617  1.000 9.770  0 214 SER A C   1 ? 
ATOM   1552 O  O   . SER A 1 214 ? 21.051  -25.225 -7.491  1.000 8.971  0 214 SER A O   1 ? 
ATOM   1553 C  CB  . SER A 1 214 ? 21.820  -25.687 -10.668 1.000 15.421 0 214 SER A CB  1 ? 
ATOM   1554 O  OG  . SER A 1 214 ? 22.102  -26.873 -11.389 1.000 23.791 0 214 SER A OG  1 ? 
ATOM   1555 N  N   . TRP A 1 215 ? 19.997  -23.851 -8.947  1.000 8.815  0 215 TRP A N   1 ? 
ATOM   1556 C  CA  . TRP A 1 215 ? 19.803  -22.788 -7.977  1.000 9.652  0 215 TRP A CA  1 ? 
ATOM   1557 C  C   . TRP A 1 215 ? 18.898  -23.254 -6.832  1.000 8.947  0 215 TRP A C   1 ? 
ATOM   1558 O  O   . TRP A 1 215 ? 19.191  -23.016 -5.659  1.000 8.989  0 215 TRP A O   1 ? 
ATOM   1559 C  CB  . TRP A 1 215 ? 19.265  -21.502 -8.643  1.000 8.792  0 215 TRP A CB  1 ? 
ATOM   1560 C  CG  . TRP A 1 215 ? 18.860  -20.423 -7.676  1.000 8.100  0 215 TRP A CG  1 ? 
ATOM   1561 C  CD1 . TRP A 1 215 ? 19.639  -19.595 -6.924  1.000 7.929  0 215 TRP A CD1 1 ? 
ATOM   1562 C  CD2 . TRP A 1 215 ? 17.507  -20.086 -7.326  1.000 7.523  0 215 TRP A CD2 1 ? 
ATOM   1563 N  NE1 . TRP A 1 215 ? 18.871  -18.776 -6.141  1.000 8.098  0 215 TRP A NE1 1 ? 
ATOM   1564 C  CE2 . TRP A 1 215 ? 17.552  -19.026 -6.393  1.000 7.998  0 215 TRP A CE2 1 ? 
ATOM   1565 C  CE3 . TRP A 1 215 ? 16.255  -20.563 -7.764  1.000 8.041  0 215 TRP A CE3 1 ? 
ATOM   1566 C  CZ2 . TRP A 1 215 ? 16.399  -18.466 -5.858  1.000 7.965  0 215 TRP A CZ2 1 ? 
ATOM   1567 C  CZ3 . TRP A 1 215 ? 15.126  -20.004 -7.227  1.000 7.927  0 215 TRP A CZ3 1 ? 
ATOM   1568 C  CH2 . TRP A 1 215 ? 15.201  -18.966 -6.304  1.000 8.236  0 215 TRP A CH2 1 ? 
ATOM   1569 N  N   . ILE A 1 216 ? 17.800  -23.939 -7.175  1.000 7.357  0 216 ILE A N   1 ? 
ATOM   1570 C  CA  . ILE A 1 216 ? 16.892  -24.392 -6.136  1.000 8.263  0 216 ILE A CA  1 ? 
ATOM   1571 C  C   . ILE A 1 216 ? 17.619  -25.330 -5.166  1.000 8.965  0 216 ILE A C   1 ? 
ATOM   1572 O  O   . ILE A 1 216 ? 17.542  -25.154 -3.953  1.000 8.929  0 216 ILE A O   1 ? 
ATOM   1573 C  CB  . ILE A 1 216 ? 15.657  -25.058 -6.748  1.000 8.546  0 216 ILE A CB  1 ? 
ATOM   1574 C  CG1 . ILE A 1 216 ? 14.809  -24.056 -7.503  1.000 8.854  0 216 ILE A CG1 1 ? 
ATOM   1575 C  CG2 . ILE A 1 216 ? 14.858  -25.795 -5.673  1.000 9.067  0 216 ILE A CG2 1 ? 
ATOM   1576 C  CD1 . ILE A 1 216 ? 13.740  -24.695 -8.377  1.000 9.013  0 216 ILE A CD1 1 ? 
ATOM   1577 N  N   . LYS A 1 217 ? 18.334  -26.311 -5.714  1.000 9.405  0 217 LYS A N   1 ? 
ATOM   1578 C  CA  . LYS A 1 217 ? 18.939  -27.340 -4.883  1.000 10.447 0 217 LYS A CA  1 ? 
ATOM   1579 C  C   . LYS A 1 217 ? 20.028  -26.730 -4.005  1.000 10.142 0 217 LYS A C   1 ? 
ATOM   1580 O  O   . LYS A 1 217 ? 20.099  -27.026 -2.821  1.000 10.859 0 217 LYS A O   1 ? 
ATOM   1581 C  CB  . LYS A 1 217 ? 19.505  -28.457 -5.763  1.000 12.627 0 217 LYS A CB  1 ? 
ATOM   1582 C  CG  . LYS A 1 217 ? 18.471  -29.346 -6.448  1.000 16.381 0 217 LYS A CG  1 ? 
ATOM   1583 C  CD  . LYS A 1 217 ? 19.204  -30.472 -7.192  1.000 21.058 0 217 LYS A CD  1 ? 
ATOM   1584 C  CE  . LYS A 1 217 ? 18.452  -31.351 -8.138  1.000 27.922 0 217 LYS A CE  1 ? 
ATOM   1585 N  NZ  . LYS A 1 217 ? 17.337  -32.017 -7.469  1.000 33.205 0 217 LYS A NZ  1 ? 
ATOM   1586 N  N   . GLN A 1 218 ? 20.847  -25.805 -4.533  1.000 10.468 0 218 GLN A N   1 ? 
ATOM   1587 C  CA  . GLN A 1 218 ? 21.934  -25.263 -3.717  1.000 11.588 0 218 GLN A CA  1 ? 
ATOM   1588 C  C   . GLN A 1 218 ? 21.362  -24.341 -2.634  1.000 10.471 0 218 GLN A C   1 ? 
ATOM   1589 O  O   . GLN A 1 218 ? 21.855  -24.292 -1.495  1.000 10.192 0 218 GLN A O   1 ? 
ATOM   1590 C  CB  . GLN A 1 218 ? 22.992  -24.686 -4.666  1.000 15.587 0 218 GLN A CB  1 ? 
ATOM   1591 C  CG  . GLN A 1 218 ? 22.695  -23.315 -5.245  1.000 19.270 0 218 GLN A CG  1 ? 
ATOM   1592 C  CD  . GLN A 1 218 ? 23.143  -22.150 -4.376  1.000 23.629 0 218 GLN A CD  1 ? 
ATOM   1593 O  OE1 . GLN A 1 218 ? 23.754  -22.319 -3.311  1.000 28.364 0 218 GLN A OE1 1 ? 
ATOM   1594 N  NE2 . GLN A 1 218 ? 22.795  -20.943 -4.819  1.000 22.856 0 218 GLN A NE2 1 ? 
ATOM   1595 N  N   . THR A 1 219 ? 20.283  -23.621 -2.983  1.000 9.667  0 219 THR A N   1 ? 
ATOM   1596 C  CA  . THR A 1 219 ? 19.660  -22.679 -2.070  1.000 9.814  0 219 THR A CA  1 ? 
ATOM   1597 C  C   . THR A 1 219 ? 19.089  -23.433 -0.872  1.000 10.999 0 219 THR A C   1 ? 
ATOM   1598 O  O   . THR A 1 219 ? 19.353  -23.094 0.303   1.000 10.270 0 219 THR A O   1 ? 
ATOM   1599 C  CB  . THR A 1 219 ? 18.590  -21.813 -2.742  1.000 10.704 0 219 THR A CB  1 ? 
ATOM   1600 O  OG1 . THR A 1 219 ? 19.244  -21.028 -3.721  1.000 9.972  0 219 THR A OG1 1 ? 
ATOM   1601 C  CG2 . THR A 1 219 ? 17.866  -20.937 -1.730  1.000 11.579 0 219 THR A CG2 1 ? 
ATOM   1602 N  N   . ILE A 1 220 ? 18.343  -24.515 -1.156  1.000 10.101 0 220 ILE A N   1 ? 
ATOM   1603 C  CA  . ILE A 1 220 ? 17.813  -25.379 -0.112  1.000 11.414 0 220 ILE A CA  1 ? 
ATOM   1604 C  C   . ILE A 1 220 ? 18.941  -25.963 0.730   1.000 12.141 0 220 ILE A C   1 ? 
ATOM   1605 O  O   . ILE A 1 220 ? 18.800  -26.112 1.943   1.000 15.419 0 220 ILE A O   1 ? 
ATOM   1606 C  CB  . ILE A 1 220 ? 16.910  -26.465 -0.712  1.000 12.481 0 220 ILE A CB  1 ? 
ATOM   1607 C  CG1 . ILE A 1 220 ? 15.612  -25.874 -1.203  1.000 14.296 0 220 ILE A CG1 1 ? 
ATOM   1608 C  CG2 . ILE A 1 220 ? 16.676  -27.585 0.290   1.000 12.778 0 220 ILE A CG2 1 ? 
ATOM   1609 C  CD1 . ILE A 1 220 ? 14.862  -26.780 -2.180  1.000 16.968 0 220 ILE A CD1 1 ? 
ATOM   1610 N  N   . ALA A 1 221 ? 20.055  -26.356 0.103   1.000 12.227 0 221 ALA A N   1 ? 
ATOM   1611 C  CA  . ALA A 1 221 ? 21.106  -27.017 0.858   1.000 12.333 0 221 ALA A CA  1 ? 
ATOM   1612 C  C   . ALA A 1 221 ? 21.819  -26.060 1.823   1.000 13.201 0 221 ALA A C   1 ? 
ATOM   1613 O  O   . ALA A 1 221 ? 22.554  -26.499 2.700   1.000 13.294 0 221 ALA A O   1 ? 
ATOM   1614 C  CB  . ALA A 1 221 ? 22.087  -27.615 -0.117  1.000 13.185 0 221 ALA A CB  1 ? 
ATOM   1615 N  N   . SER A 1 222 ? 21.657  -24.744 1.665   1.000 13.508 0 222 SER A N   1 ? 
ATOM   1616 C  CA  . SER A 1 222 ? 22.395  -23.805 2.504   1.000 14.819 0 222 SER A CA  1 ? 
ATOM   1617 C  C   . SER A 1 222 ? 21.488  -22.916 3.340   1.000 14.552 0 222 SER A C   1 ? 
ATOM   1618 O  O   . SER A 1 222 ? 21.938  -21.905 3.881   1.000 13.853 0 222 SER A O   1 ? 
ATOM   1619 C  CB  . SER A 1 222 ? 23.327  -22.968 1.692   1.000 18.287 0 222 SER A CB  1 ? 
ATOM   1620 O  OG  . SER A 1 222 ? 24.410  -23.793 1.293   1.000 20.164 0 222 SER A OG  1 ? 
ATOM   1621 N  N   . ASN A 1 223 ? 20.184  -23.215 3.380   1.000 13.342 0 223 ASN A N   1 ? 
ATOM   1622 C  CA  . ASN A 1 223 ? 19.257  -22.362 4.114   1.000 14.709 0 223 ASN A CA  1 ? 
ATOM   1623 C  C   . ASN A 1 223 ? 18.276  -23.212 4.934   1.000 15.011 0 223 ASN A C   1 ? 
ATOM   1624 O  O   . ASN A 1 223 ? 17.399  -22.590 5.539   1.000 19.400 0 223 ASN A O   1 ? 
ATOM   1625 C  CB  . ASN A 1 223 ? 18.478  -21.447 3.180   1.000 12.808 0 223 ASN A CB  1 ? 
ATOM   1626 C  CG  . ASN A 1 223 ? 19.316  -20.332 2.616   1.000 13.533 0 223 ASN A CG  1 ? 
ATOM   1627 O  OD1 . ASN A 1 223 ? 19.438  -19.226 3.193   1.000 15.388 0 223 ASN A OD1 1 ? 
ATOM   1628 N  ND2 . ASN A 1 223 ? 19.868  -20.585 1.450   1.000 13.894 0 223 ASN A ND2 1 ? 
ATOM   1629 O  OXT . ASN A 1 223 ? 18.382  -24.443 4.908   1.000 15.665 0 223 ASN A OXT 1 ? 
HETATM 1630 CA CA  . CA  B 2 .   ? -10.053 -24.657 3.215   1.000 7.629  0 301 CA  A CA  1 ? 
HETATM 1631 C  C1  . BEN C 3 .   ? -1.795  -14.817 -17.072 1.000 9.877  0 302 BEN A C1  1 ? 
HETATM 1632 C  C2  . BEN C 3 .   ? -1.413  -15.449 -15.891 1.000 10.126 0 302 BEN A C2  1 ? 
HETATM 1633 C  C3  . BEN C 3 .   ? -1.102  -14.736 -14.752 1.000 10.913 0 302 BEN A C3  1 ? 
HETATM 1634 C  C4  . BEN C 3 .   ? -1.084  -13.363 -14.811 1.000 11.388 0 302 BEN A C4  1 ? 
HETATM 1635 C  C5  . BEN C 3 .   ? -1.330  -12.729 -16.007 1.000 12.692 0 302 BEN A C5  1 ? 
HETATM 1636 C  C6  . BEN C 3 .   ? -1.719  -13.436 -17.135 1.000 11.629 0 302 BEN A C6  1 ? 
HETATM 1637 C  C   . BEN C 3 .   ? -2.135  -15.607 -18.279 1.000 9.065  0 302 BEN A C   1 ? 
HETATM 1638 N  N1  . BEN C 3 .   ? -1.740  -16.854 -18.425 1.000 8.412  0 302 BEN A N1  1 ? 
HETATM 1639 N  N2  . BEN C 3 .   ? -2.870  -15.040 -19.238 1.000 8.841  0 302 BEN A N2  1 ? 
HETATM 1640 O  O   . HOH D 4 .   ? -8.160  -10.748 -14.550 1.000 24.442 0 401 HOH A O   1 ? 
HETATM 1641 O  O   . HOH D 4 .   ? -14.411 -28.786 -1.189  1.000 19.791 0 402 HOH A O   1 ? 
HETATM 1642 O  O   . HOH D 4 .   ? -3.363  -33.658 -21.351 1.000 45.252 0 403 HOH A O   1 ? 
HETATM 1643 O  O   . HOH D 4 .   ? -8.256  -28.007 -27.058 1.000 33.446 0 404 HOH A O   1 ? 
HETATM 1644 O  O   . HOH D 4 .   ? -7.310  -33.615 -13.238 1.000 21.677 0 405 HOH A O   1 ? 
HETATM 1645 O  O   . HOH D 4 .   ? -3.348  -28.065 10.193  1.000 52.015 0 406 HOH A O   1 ? 
HETATM 1646 O  O   . HOH D 4 .   ? -18.078 -14.822 -8.682  1.000 31.079 0 407 HOH A O   1 ? 
HETATM 1647 O  O   . HOH D 4 .   ? 7.931   -13.332 2.544   1.000 26.845 0 408 HOH A O   1 ? 
HETATM 1648 O  O   . HOH D 4 .   ? 13.101  -32.990 -22.885 1.000 34.854 0 409 HOH A O   1 ? 
HETATM 1649 O  O   . HOH D 4 .   ? -10.114 -26.767 2.140   1.000 8.333  0 410 HOH A O   1 ? 
HETATM 1650 O  O   . HOH D 4 .   ? 12.758  -21.689 8.917   1.000 29.240 0 411 HOH A O   1 ? 
HETATM 1651 O  O   . HOH D 4 .   ? -3.374  -34.213 -9.872  1.000 21.944 0 412 HOH A O   1 ? 
HETATM 1652 O  O   . HOH D 4 .   ? 1.825   -8.498  3.790   1.000 37.422 0 413 HOH A O   1 ? 
HETATM 1653 O  O   . HOH D 4 .   ? -5.327  -41.087 1.288   1.000 25.848 0 414 HOH A O   1 ? 
HETATM 1654 O  O   . HOH D 4 .   ? 5.864   -31.406 10.803  1.000 35.686 0 415 HOH A O   1 ? 
HETATM 1655 O  O   . HOH D 4 .   ? 18.628  -19.372 -16.657 1.000 31.289 0 416 HOH A O   1 ? 
HETATM 1656 O  O   . HOH D 4 .   ? 10.898  -26.390 -17.121 1.000 9.575  0 417 HOH A O   1 ? 
HETATM 1657 O  O   . HOH D 4 .   ? -10.650 -35.852 -2.382  1.000 23.126 0 418 HOH A O   1 ? 
HETATM 1658 O  O   . HOH D 4 .   ? -6.233  -11.337 -28.931 1.000 21.863 0 419 HOH A O   1 ? 
HETATM 1659 O  O   . HOH D 4 .   ? 9.712   -20.577 -25.428 1.000 22.476 0 420 HOH A O   1 ? 
HETATM 1660 O  O   . HOH D 4 .   ? -16.898 -15.816 -6.568  1.000 30.342 0 421 HOH A O   1 ? 
HETATM 1661 O  O   . HOH D 4 .   ? -13.682 -29.110 -5.337  1.000 9.857  0 422 HOH A O   1 ? 
HETATM 1662 O  O   . HOH D 4 .   ? 10.652  -31.898 -5.238  1.000 16.764 0 423 HOH A O   1 ? 
HETATM 1663 O  O   . HOH D 4 .   ? 4.313   -27.820 10.774  1.000 18.594 0 424 HOH A O   1 ? 
HETATM 1664 O  O   . HOH D 4 .   ? -13.965 -20.224 -17.073 1.000 14.649 0 425 HOH A O   1 ? 
HETATM 1665 O  O   . HOH D 4 .   ? -2.045  -21.142 -20.439 1.000 8.247  0 426 HOH A O   1 ? 
HETATM 1666 O  O   . HOH D 4 .   ? 21.509  -17.858 4.053   1.000 20.905 0 427 HOH A O   1 ? 
HETATM 1667 O  O   . HOH D 4 .   ? 12.413  -20.172 -24.050 1.000 26.680 0 428 HOH A O   1 ? 
HETATM 1668 O  O   . HOH D 4 .   ? 6.077   -18.540 -35.454 1.000 32.223 0 429 HOH A O   1 ? 
HETATM 1669 O  O   . HOH D 4 .   ? 21.719  -15.259 -11.339 1.000 37.967 0 430 HOH A O   1 ? 
HETATM 1670 O  O   . HOH D 4 .   ? 14.793  -21.802 -23.187 1.000 24.968 0 431 HOH A O   1 ? 
HETATM 1671 O  O   . HOH D 4 .   ? 9.026   -24.085 -34.753 1.000 39.846 0 432 HOH A O   1 ? 
HETATM 1672 O  O   . HOH D 4 .   ? -0.020  -11.048 6.344   1.000 32.251 0 433 HOH A O   1 ? 
HETATM 1673 O  O   . HOH D 4 .   ? 6.266   -8.197  -21.903 1.000 19.724 0 434 HOH A O   1 ? 
HETATM 1674 O  O   . HOH D 4 .   ? -11.396 -15.834 -24.847 1.000 38.754 0 435 HOH A O   1 ? 
HETATM 1675 O  O   . HOH D 4 .   ? -4.367  -30.657 -1.197  1.000 10.423 0 436 HOH A O   1 ? 
HETATM 1676 O  O   . HOH D 4 .   ? -13.544 -19.761 -21.949 1.000 20.176 0 437 HOH A O   1 ? 
HETATM 1677 O  O   . HOH D 4 .   ? 5.734   -36.416 -3.226  1.000 16.975 0 438 HOH A O   1 ? 
HETATM 1678 O  O   . HOH D 4 .   ? 10.076  -9.961  -21.153 1.000 12.670 0 439 HOH A O   1 ? 
HETATM 1679 O  O   . HOH D 4 .   ? -16.737 -18.598 -14.044 1.000 23.025 0 440 HOH A O   1 ? 
HETATM 1680 O  O   . HOH D 4 .   ? -10.114 -17.205 -5.608  1.000 16.742 0 441 HOH A O   1 ? 
HETATM 1681 O  O   . HOH D 4 .   ? -12.449 -17.431 -3.246  1.000 26.868 0 442 HOH A O   1 ? 
HETATM 1682 O  O   . HOH D 4 .   ? 12.783  -27.323 -23.417 1.000 34.228 0 443 HOH A O   1 ? 
HETATM 1683 O  O   . HOH D 4 .   ? 15.369  -8.558  -18.272 1.000 13.722 0 444 HOH A O   1 ? 
HETATM 1684 O  O   . HOH D 4 .   ? -3.824  -36.220 -3.598  1.000 12.386 0 445 HOH A O   1 ? 
HETATM 1685 O  O   . HOH D 4 .   ? -8.585  -10.819 -20.307 1.000 15.122 0 446 HOH A O   1 ? 
HETATM 1686 O  O   . HOH D 4 .   ? 4.948   -23.120 -8.421  1.000 8.943  0 447 HOH A O   1 ? 
HETATM 1687 O  O   . HOH D 4 .   ? 8.427   -32.796 -22.575 1.000 25.005 0 448 HOH A O   1 ? 
HETATM 1688 O  O   . HOH D 4 .   ? -4.469  -14.069 -22.971 1.000 12.152 0 449 HOH A O   1 ? 
HETATM 1689 O  O   . HOH D 4 .   ? -6.391  -11.711 -8.523  1.000 34.396 0 450 HOH A O   1 ? 
HETATM 1690 O  O   . HOH D 4 .   ? 7.549   -33.406 8.123   1.000 27.439 0 451 HOH A O   1 ? 
HETATM 1691 O  O   . HOH D 4 .   ? 2.254   -27.490 -28.933 1.000 17.767 0 452 HOH A O   1 ? 
HETATM 1692 O  O   . HOH D 4 .   ? 9.030   -3.074  -12.029 1.000 14.202 0 453 HOH A O   1 ? 
HETATM 1693 O  O   . HOH D 4 .   ? -4.007  -17.779 -26.450 1.000 14.874 0 454 HOH A O   1 ? 
HETATM 1694 O  O   . HOH D 4 .   ? 4.683   -7.877  -8.426  1.000 36.271 0 455 HOH A O   1 ? 
HETATM 1695 O  O   . HOH D 4 .   ? -0.172  -13.946 6.760   1.000 22.682 0 456 HOH A O   1 ? 
HETATM 1696 O  O   . HOH D 4 .   ? 18.209  -9.671  -14.512 1.000 18.280 0 457 HOH A O   1 ? 
HETATM 1697 O  O   . HOH D 4 .   ? 7.531   -38.928 -15.527 1.000 29.224 0 458 HOH A O   1 ? 
HETATM 1698 O  O   . HOH D 4 .   ? 14.411  -36.220 -17.717 1.000 39.617 0 459 HOH A O   1 ? 
HETATM 1699 O  O   . HOH D 4 .   ? 1.406   -34.593 -17.698 1.000 23.116 0 460 HOH A O   1 ? 
HETATM 1700 O  O   . HOH D 4 .   ? -2.656  -15.110 6.888   1.000 16.437 0 461 HOH A O   1 ? 
HETATM 1701 O  O   . HOH D 4 .   ? -2.384  -8.519  -14.058 1.000 51.421 0 462 HOH A O   1 ? 
HETATM 1702 O  O   . HOH D 4 .   ? -9.885  -11.531 -17.159 1.000 24.322 0 463 HOH A O   1 ? 
HETATM 1703 O  O   . HOH D 4 .   ? -6.689  -20.113 -24.827 1.000 23.315 0 464 HOH A O   1 ? 
HETATM 1704 O  O   . HOH D 4 .   ? 19.000  -16.917 -14.999 1.000 23.133 0 465 HOH A O   1 ? 
HETATM 1705 O  O   . HOH D 4 .   ? 9.465   -34.443 -0.208  1.000 17.182 0 466 HOH A O   1 ? 
HETATM 1706 O  O   . HOH D 4 .   ? -0.806  -28.554 -11.381 1.000 7.055  0 467 HOH A O   1 ? 
HETATM 1707 O  O   . HOH D 4 .   ? -17.575 -18.883 -5.560  1.000 43.601 0 468 HOH A O   1 ? 
HETATM 1708 O  O   . HOH D 4 .   ? 17.609  -20.104 6.609   1.000 30.710 0 469 HOH A O   1 ? 
HETATM 1709 O  O   . HOH D 4 .   ? -17.708 -27.470 -9.764  1.000 25.934 0 470 HOH A O   1 ? 
HETATM 1710 O  O   . HOH D 4 .   ? 7.552   -7.748  -8.965  1.000 10.360 0 471 HOH A O   1 ? 
HETATM 1711 O  O   . HOH D 4 .   ? -7.705  -9.422  -26.841 1.000 34.700 0 472 HOH A O   1 ? 
HETATM 1712 O  O   . HOH D 4 .   ? -16.346 -27.259 7.401   1.000 25.207 0 473 HOH A O   1 ? 
HETATM 1713 O  O   . HOH D 4 .   ? 12.644  -30.811 4.247   1.000 21.130 0 474 HOH A O   1 ? 
HETATM 1714 O  O   . HOH D 4 .   ? 10.429  -32.986 7.250   1.000 22.982 0 475 HOH A O   1 ? 
HETATM 1715 O  O   . HOH D 4 .   ? -0.306  -37.641 -2.845  1.000 16.250 0 476 HOH A O   1 ? 
HETATM 1716 O  O   . HOH D 4 .   ? -3.484  -10.350 -17.776 1.000 18.911 0 477 HOH A O   1 ? 
HETATM 1717 O  O   . HOH D 4 .   ? -9.157  -20.574 -10.932 1.000 8.083  0 478 HOH A O   1 ? 
HETATM 1718 O  O   . HOH D 4 .   ? -3.230  -25.715 -0.562  1.000 7.130  0 479 HOH A O   1 ? 
HETATM 1719 O  O   . HOH D 4 .   ? -11.365 -28.537 -6.705  1.000 8.019  0 480 HOH A O   1 ? 
HETATM 1720 O  O   . HOH D 4 .   ? 8.528   -8.998  -6.487  1.000 20.501 0 481 HOH A O   1 ? 
HETATM 1721 O  O   . HOH D 4 .   ? -1.978  -21.254 -8.859  1.000 6.421  0 482 HOH A O   1 ? 
HETATM 1722 O  O   . HOH D 4 .   ? 1.290   -9.662  -18.686 1.000 28.031 0 483 HOH A O   1 ? 
HETATM 1723 O  O   . HOH D 4 .   ? 16.364  -23.603 -21.292 1.000 27.122 0 484 HOH A O   1 ? 
HETATM 1724 O  O   . HOH D 4 .   ? 7.339   -32.938 -26.135 1.000 18.630 0 485 HOH A O   1 ? 
HETATM 1725 O  O   . HOH D 4 .   ? 5.718   -8.448  -5.574  1.000 23.563 0 486 HOH A O   1 ? 
HETATM 1726 O  O   . HOH D 4 .   ? 2.088   -17.766 -32.268 1.000 19.525 0 487 HOH A O   1 ? 
HETATM 1727 O  O   . HOH D 4 .   ? 22.882  -27.243 -7.218  1.000 23.020 0 488 HOH A O   1 ? 
HETATM 1728 O  O   . HOH D 4 .   ? 8.638   -25.068 -26.148 1.000 24.706 0 489 HOH A O   1 ? 
HETATM 1729 O  O   . HOH D 4 .   ? -9.276  -22.751 4.367   1.000 7.780  0 490 HOH A O   1 ? 
HETATM 1730 O  O   . HOH D 4 .   ? -7.603  -40.502 4.029   1.000 36.399 0 491 HOH A O   1 ? 
HETATM 1731 O  O   . HOH D 4 .   ? 23.477  -29.087 2.773   1.000 25.801 0 492 HOH A O   1 ? 
HETATM 1732 O  O   . HOH D 4 .   ? -3.733  -11.990 -6.789  1.000 37.127 0 493 HOH A O   1 ? 
HETATM 1733 O  O   . HOH D 4 .   ? -7.412  -20.140 2.666   1.000 7.651  0 494 HOH A O   1 ? 
HETATM 1734 O  O   . HOH D 4 .   ? 8.690   -15.016 -16.718 1.000 8.701  0 495 HOH A O   1 ? 
HETATM 1735 O  O   . HOH D 4 .   ? 5.513   -15.156 7.561   1.000 16.032 0 496 HOH A O   1 ? 
HETATM 1736 O  O   . HOH D 4 .   ? -5.732  -18.481 1.166   1.000 7.813  0 497 HOH A O   1 ? 
HETATM 1737 O  O   . HOH D 4 .   ? 1.828   -11.304 -14.249 1.000 12.373 0 498 HOH A O   1 ? 
HETATM 1738 O  O   . HOH D 4 .   ? 17.347  -8.833  -9.097  1.000 9.861  0 499 HOH A O   1 ? 
HETATM 1739 O  O   . HOH D 4 .   ? -2.467  -25.702 -28.226 1.000 13.686 0 500 HOH A O   1 ? 
HETATM 1740 O  O   . HOH D 4 .   ? 16.249  -26.146 4.395   1.000 25.302 0 501 HOH A O   1 ? 
HETATM 1741 O  O   . HOH D 4 .   ? 8.701   -34.500 -4.534  1.000 25.655 0 502 HOH A O   1 ? 
HETATM 1742 O  O   . HOH D 4 .   ? -4.183  -36.121 -19.123 1.000 24.064 0 503 HOH A O   1 ? 
HETATM 1743 O  O   . HOH D 4 .   ? -8.885  -28.996 3.335   1.000 9.344  0 504 HOH A O   1 ? 
HETATM 1744 O  O   . HOH D 4 .   ? 19.382  -29.572 -1.966  1.000 16.068 0 505 HOH A O   1 ? 
HETATM 1745 O  O   . HOH D 4 .   ? 2.143   -35.107 -23.229 1.000 31.171 0 506 HOH A O   1 ? 
HETATM 1746 O  O   . HOH D 4 .   ? 17.950  -25.890 -18.590 1.000 19.629 0 507 HOH A O   1 ? 
HETATM 1747 O  O   . HOH D 4 .   ? 10.663  -4.295  -8.403  1.000 17.664 0 508 HOH A O   1 ? 
HETATM 1748 O  O   . HOH D 4 .   ? -3.743  -20.315 -23.502 1.000 10.741 0 509 HOH A O   1 ? 
HETATM 1749 O  O   . HOH D 4 .   ? -16.001 -20.765 6.334   1.000 11.119 0 510 HOH A O   1 ? 
HETATM 1750 O  O   . HOH D 4 .   ? 0.852   -19.258 10.734  1.000 17.559 0 511 HOH A O   1 ? 
HETATM 1751 O  O   . HOH D 4 .   ? 4.204   -17.173 12.848  1.000 30.290 0 512 HOH A O   1 ? 
HETATM 1752 O  O   . HOH D 4 .   ? -2.078  -8.716  -18.790 1.000 38.553 0 513 HOH A O   1 ? 
HETATM 1753 O  O   . HOH D 4 .   ? -8.367  -13.175 -2.438  1.000 19.361 0 514 HOH A O   1 ? 
HETATM 1754 O  O   . HOH D 4 .   ? 0.056   -12.123 -30.557 1.000 28.122 0 515 HOH A O   1 ? 
HETATM 1755 O  O   . HOH D 4 .   ? 19.554  -19.699 -11.627 1.000 12.421 0 516 HOH A O   1 ? 
HETATM 1756 O  O   . HOH D 4 .   ? -6.885  -27.152 -29.233 1.000 30.068 0 517 HOH A O   1 ? 
HETATM 1757 O  O   . HOH D 4 .   ? 8.201   -33.439 -17.493 1.000 10.968 0 518 HOH A O   1 ? 
HETATM 1758 O  O   . HOH D 4 .   ? -10.884 -27.521 -19.868 1.000 17.827 0 519 HOH A O   1 ? 
HETATM 1759 O  O   . HOH D 4 .   ? -9.900  -34.915 0.176   1.000 19.556 0 520 HOH A O   1 ? 
HETATM 1760 O  O   . HOH D 4 .   ? 6.531   -13.911 4.448   1.000 25.937 0 521 HOH A O   1 ? 
HETATM 1761 O  O   . HOH D 4 .   ? -12.282 -33.201 -11.962 1.000 19.034 0 522 HOH A O   1 ? 
HETATM 1762 O  O   . HOH D 4 .   ? 13.012  -35.706 -11.529 1.000 26.722 0 523 HOH A O   1 ? 
HETATM 1763 O  O   . HOH D 4 .   ? 9.826   -12.995 -27.930 1.000 11.573 0 524 HOH A O   1 ? 
HETATM 1764 O  O   . HOH D 4 .   ? -9.501  -13.115 -28.065 1.000 27.210 0 525 HOH A O   1 ? 
HETATM 1765 O  O   . HOH D 4 .   ? -10.074 -16.990 2.977   1.000 13.416 0 526 HOH A O   1 ? 
HETATM 1766 O  O   . HOH D 4 .   ? -7.927  -28.999 -3.654  1.000 7.478  0 527 HOH A O   1 ? 
HETATM 1767 O  O   . HOH D 4 .   ? -12.014 -22.643 -15.122 1.000 12.722 0 528 HOH A O   1 ? 
HETATM 1768 O  O   . HOH D 4 .   ? -0.733  -33.533 -10.823 1.000 13.645 0 529 HOH A O   1 ? 
HETATM 1769 O  O   . HOH D 4 .   ? 8.721   0.040   -14.002 1.000 10.798 0 530 HOH A O   1 ? 
HETATM 1770 O  O   . HOH D 4 .   ? 18.682  -19.300 -19.369 1.000 26.239 0 531 HOH A O   1 ? 
HETATM 1771 O  O   . HOH D 4 .   ? 1.843   -23.992 11.787  1.000 38.958 0 532 HOH A O   1 ? 
HETATM 1772 O  O   . HOH D 4 .   ? -14.936 -27.598 -17.983 1.000 20.589 0 533 HOH A O   1 ? 
HETATM 1773 O  O   . HOH D 4 .   ? 7.219   -21.867 -25.529 1.000 11.975 0 534 HOH A O   1 ? 
HETATM 1774 O  O   . HOH D 4 .   ? 0.420   -33.518 -15.633 1.000 29.428 0 535 HOH A O   1 ? 
HETATM 1775 O  O   . HOH D 4 .   ? 6.232   -6.291  -12.028 1.000 26.973 0 536 HOH A O   1 ? 
HETATM 1776 O  O   . HOH D 4 .   ? 16.120  -32.518 -10.509 1.000 26.669 0 537 HOH A O   1 ? 
HETATM 1777 O  O   . HOH D 4 .   ? -12.448 -12.486 -23.808 1.000 24.590 0 538 HOH A O   1 ? 
HETATM 1778 O  O   . HOH D 4 .   ? -8.119  -28.576 -21.996 1.000 23.524 0 539 HOH A O   1 ? 
HETATM 1779 O  O   . HOH D 4 .   ? 10.318  -23.451 -31.874 1.000 17.239 0 540 HOH A O   1 ? 
HETATM 1780 O  O   . HOH D 4 .   ? -8.190  -28.149 9.170   1.000 21.798 0 541 HOH A O   1 ? 
HETATM 1781 O  O   . HOH D 4 .   ? 1.555   -35.297 -14.468 1.000 19.683 0 542 HOH A O   1 ? 
HETATM 1782 O  O   . HOH D 4 .   ? -1.480  -6.307  -22.438 1.000 27.030 0 543 HOH A O   1 ? 
HETATM 1783 O  O   . HOH D 4 .   ? 16.389  -13.812 1.599   1.000 14.084 0 544 HOH A O   1 ? 
HETATM 1784 O  O   . HOH D 4 .   ? 2.911   -8.410  -27.534 1.000 17.069 0 545 HOH A O   1 ? 
HETATM 1785 O  O   . HOH D 4 .   ? 14.592  -35.463 -21.894 1.000 30.464 0 546 HOH A O   1 ? 
HETATM 1786 O  O   . HOH D 4 .   ? -13.158 -24.797 -21.886 1.000 19.824 0 547 HOH A O   1 ? 
HETATM 1787 O  O   . HOH D 4 .   ? -10.042 -18.052 -32.137 1.000 38.248 0 548 HOH A O   1 ? 
HETATM 1788 O  O   . HOH D 4 .   ? -1.252  -8.894  -3.248  1.000 21.213 0 549 HOH A O   1 ? 
HETATM 1789 O  O   . HOH D 4 .   ? -1.080  -28.662 -0.510  1.000 9.404  0 550 HOH A O   1 ? 
HETATM 1790 O  O   . HOH D 4 .   ? -15.222 -18.269 -10.313 1.000 23.087 0 551 HOH A O   1 ? 
HETATM 1791 O  O   . HOH D 4 .   ? 3.662   -21.123 11.377  1.000 16.976 0 552 HOH A O   1 ? 
HETATM 1792 O  O   . HOH D 4 .   ? -14.809 -22.760 7.835   1.000 10.100 0 553 HOH A O   1 ? 
HETATM 1793 O  O   . HOH D 4 .   ? 23.092  -21.175 -7.655  1.000 33.110 0 554 HOH A O   1 ? 
HETATM 1794 O  O   . HOH D 4 .   ? -2.493  -25.516 10.489  1.000 19.681 0 555 HOH A O   1 ? 
HETATM 1795 O  O   . HOH D 4 .   ? -15.654 -22.174 -6.542  1.000 23.186 0 556 HOH A O   1 ? 
HETATM 1796 O  O   . HOH D 4 .   ? -8.849  -15.597 0.498   1.000 10.888 0 557 HOH A O   1 ? 
HETATM 1797 O  O   . HOH D 4 .   ? -2.756  -23.644 -29.949 1.000 15.346 0 558 HOH A O   1 ? 
HETATM 1798 O  O   . HOH D 4 .   ? 8.670   -12.487 -32.760 1.000 25.719 0 559 HOH A O   1 ? 
HETATM 1799 O  O   . HOH D 4 .   ? 9.293   -17.064 -33.952 1.000 22.508 0 560 HOH A O   1 ? 
HETATM 1800 O  O   . HOH D 4 .   ? -14.279 -15.946 -4.156  1.000 12.840 0 561 HOH A O   1 ? 
HETATM 1801 O  O   . HOH D 4 .   ? 6.109   -35.666 -7.598  1.000 25.347 0 562 HOH A O   1 ? 
HETATM 1802 O  O   . HOH D 4 .   ? 12.680  -33.235 -6.858  1.000 24.263 0 563 HOH A O   1 ? 
HETATM 1803 O  O   . HOH D 4 .   ? -5.645  -30.113 -4.537  1.000 8.957  0 564 HOH A O   1 ? 
HETATM 1804 O  O   . HOH D 4 .   ? 12.370  -34.524 -15.718 1.000 22.071 0 565 HOH A O   1 ? 
HETATM 1805 O  O   . HOH D 4 .   ? 0.861   -17.710 -17.216 1.000 10.546 0 566 HOH A O   1 ? 
HETATM 1806 O  O   . HOH D 4 .   ? 5.242   -6.790  -2.116  1.000 28.563 0 567 HOH A O   1 ? 
HETATM 1807 O  O   . HOH D 4 .   ? -5.636  -36.822 -15.173 1.000 24.208 0 568 HOH A O   1 ? 
HETATM 1808 O  O   . HOH D 4 .   ? 4.915   -23.273 12.434  1.000 27.776 0 569 HOH A O   1 ? 
HETATM 1809 O  O   . HOH D 4 .   ? 13.116  0.122   -13.401 1.000 18.084 0 570 HOH A O   1 ? 
HETATM 1810 O  O   . HOH D 4 .   ? -4.212  -28.205 -2.614  1.000 8.052  0 571 HOH A O   1 ? 
HETATM 1811 O  O   . HOH D 4 .   ? -3.787  -19.833 -7.305  1.000 6.776  0 572 HOH A O   1 ? 
HETATM 1812 O  O   . HOH D 4 .   ? 5.397   -33.473 -27.049 1.000 36.059 0 573 HOH A O   1 ? 
HETATM 1813 O  O   . HOH D 4 .   ? -14.903 -23.743 -17.761 1.000 22.431 0 574 HOH A O   1 ? 
HETATM 1814 O  O   . HOH D 4 .   ? 10.037  -27.251 -27.227 1.000 28.185 0 575 HOH A O   1 ? 
HETATM 1815 O  O   . HOH D 4 .   ? 2.418   -8.413  -23.920 1.000 20.636 0 576 HOH A O   1 ? 
HETATM 1816 O  O   . HOH D 4 .   ? 0.865   -8.243  -25.825 1.000 21.286 0 577 HOH A O   1 ? 
HETATM 1817 O  O   . HOH D 4 .   ? 13.463  -6.686  -10.250 1.000 9.795  0 578 HOH A O   1 ? 
HETATM 1818 O  O   . HOH D 4 .   ? 17.174  -10.974 -5.695  1.000 12.228 0 579 HOH A O   1 ? 
HETATM 1819 O  O   . HOH D 4 .   ? 3.328   -25.406 -30.638 1.000 16.513 0 580 HOH A O   1 ? 
HETATM 1820 O  O   . HOH D 4 .   ? -4.568  -17.683 -23.767 1.000 10.955 0 581 HOH A O   1 ? 
HETATM 1821 O  O   . HOH D 4 .   ? -7.152  -33.492 -10.521 1.000 33.048 0 582 HOH A O   1 ? 
HETATM 1822 O  O   . HOH D 4 .   ? 10.737  -27.014 -19.841 1.000 11.474 0 583 HOH A O   1 ? 
HETATM 1823 O  O   . HOH D 4 .   ? 10.543  -33.558 2.129   1.000 15.293 0 584 HOH A O   1 ? 
HETATM 1824 O  O   . HOH D 4 .   ? -15.868 -28.371 -13.514 1.000 18.731 0 585 HOH A O   1 ? 
HETATM 1825 O  O   . HOH D 4 .   ? -16.587 -26.270 -0.946  1.000 21.195 0 586 HOH A O   1 ? 
HETATM 1826 O  O   . HOH D 4 .   ? 19.139  -13.558 -16.252 1.000 15.850 0 587 HOH A O   1 ? 
HETATM 1827 O  O   . HOH D 4 .   ? 17.864  -7.010  -14.677 1.000 17.797 0 588 HOH A O   1 ? 
HETATM 1828 O  O   . HOH D 4 .   ? 17.251  -10.126 -17.147 1.000 13.413 0 589 HOH A O   1 ? 
HETATM 1829 O  O   . HOH D 4 .   ? -8.030  -15.335 4.170   1.000 11.792 0 590 HOH A O   1 ? 
HETATM 1830 O  O   . HOH D 4 .   ? 5.369   -6.680  1.285   1.000 20.414 0 591 HOH A O   1 ? 
HETATM 1831 O  O   . HOH D 4 .   ? 19.385  -26.128 -13.382 1.000 20.038 0 592 HOH A O   1 ? 
HETATM 1832 O  O   . HOH D 4 .   ? 19.932  -22.811 -11.724 1.000 13.139 0 593 HOH A O   1 ? 
HETATM 1833 O  O   . HOH D 4 .   ? -14.205 -31.905 -4.738  1.000 20.844 0 594 HOH A O   1 ? 
HETATM 1834 O  O   . HOH D 4 .   ? 11.340  -16.186 -16.282 1.000 7.161  0 595 HOH A O   1 ? 
HETATM 1835 O  O   . HOH D 4 .   ? 10.219  -25.337 -29.337 1.000 19.424 0 596 HOH A O   1 ? 
HETATM 1836 O  O   . HOH D 4 .   ? 11.510  -23.158 -24.237 1.000 26.954 0 597 HOH A O   1 ? 
HETATM 1837 O  O   . HOH D 4 .   ? 16.908  -29.417 -15.178 1.000 28.794 0 598 HOH A O   1 ? 
HETATM 1838 O  O   . HOH D 4 .   ? -14.389 -32.229 -9.405  1.000 34.519 0 599 HOH A O   1 ? 
HETATM 1839 O  O   . HOH D 4 .   ? 6.745   -9.678  -19.377 1.000 24.432 0 600 HOH A O   1 ? 
HETATM 1840 O  O   . HOH D 4 .   ? 20.462  -23.140 -16.329 1.000 31.445 0 601 HOH A O   1 ? 
HETATM 1841 O  O   . HOH D 4 .   ? -10.202 -24.717 -31.217 1.000 41.995 0 602 HOH A O   1 ? 
HETATM 1842 O  O   . HOH D 4 .   ? -15.059 -24.861 -14.417 1.000 30.084 0 603 HOH A O   1 ? 
HETATM 1843 O  O   . HOH D 4 .   ? 19.353  -16.153 -17.772 1.000 20.961 0 604 HOH A O   1 ? 
HETATM 1844 O  O   . HOH D 4 .   ? 15.624  -26.385 -23.587 1.000 20.466 0 605 HOH A O   1 ? 
HETATM 1845 O  O   . HOH D 4 .   ? 17.190  -15.067 -23.325 1.000 21.549 0 606 HOH A O   1 ? 
HETATM 1846 O  O   . HOH D 4 .   ? 26.196  -20.879 -4.512  1.000 43.902 0 607 HOH A O   1 ? 
HETATM 1847 O  O   . HOH D 4 .   ? -5.146  -30.302 -26.179 1.000 42.706 0 608 HOH A O   1 ? 
HETATM 1848 O  O   . HOH D 4 .   ? 5.272   -36.001 -0.521  1.000 12.223 0 609 HOH A O   1 ? 
HETATM 1849 O  O   . HOH D 4 .   ? -4.770  -17.962 10.123  1.000 20.563 0 610 HOH A O   1 ? 
HETATM 1850 O  O   . HOH D 4 .   ? -5.648  -18.719 -33.208 1.000 37.611 0 611 HOH A O   1 ? 
HETATM 1851 O  O   . HOH D 4 .   ? 11.960  -36.178 -6.611  1.000 29.847 0 612 HOH A O   1 ? 
HETATM 1852 O  O   . HOH D 4 .   ? 10.598  -22.800 -26.427 1.000 38.256 0 613 HOH A O   1 ? 
HETATM 1853 O  O   . HOH D 4 .   ? 9.582   -25.754 -23.055 1.000 32.489 0 614 HOH A O   1 ? 
HETATM 1854 O  O   . HOH D 4 .   ? 21.615  -14.296 -14.616 1.000 39.186 0 615 HOH A O   1 ? 
HETATM 1855 O  O   . HOH D 4 .   ? -2.453  -12.208 7.458   1.000 38.373 0 616 HOH A O   1 ? 
HETATM 1856 O  O   . HOH D 4 .   ? 9.708   -28.375 12.028  1.000 18.634 0 617 HOH A O   1 ? 
HETATM 1857 O  O   . HOH D 4 .   ? 13.226  -10.653 -24.305 1.000 26.353 0 618 HOH A O   1 ? 
HETATM 1858 O  O   . HOH D 4 .   ? 7.336   -36.340 -5.383  1.000 27.326 0 619 HOH A O   1 ? 
HETATM 1859 O  O   . HOH D 4 .   ? -3.765  -19.656 11.288  1.000 34.832 0 620 HOH A O   1 ? 
HETATM 1860 O  O   . HOH D 4 .   ? 7.720   -37.830 -10.399 1.000 37.958 0 621 HOH A O   1 ? 
HETATM 1861 O  O   . HOH D 4 .   ? -12.420 -33.481 7.851   1.000 37.499 0 622 HOH A O   1 ? 
HETATM 1862 O  O   . HOH D 4 .   ? 25.343  -26.691 -11.204 1.000 47.194 0 623 HOH A O   1 ? 
HETATM 1863 O  O   . HOH D 4 .   ? 0.169   -26.455 10.647  1.000 28.497 0 624 HOH A O   1 ? 
HETATM 1864 O  O   . HOH D 4 .   ? 20.650  -15.939 6.407   1.000 28.544 0 625 HOH A O   1 ? 
HETATM 1865 O  O   . HOH D 4 .   ? -12.314 -35.258 -3.886  1.000 48.396 0 626 HOH A O   1 ? 
HETATM 1866 O  O   . HOH D 4 .   ? -7.912  -41.651 2.056   1.000 37.045 0 627 HOH A O   1 ? 
HETATM 1867 O  O   . HOH D 4 .   ? -11.816 -23.088 -25.918 1.000 41.711 0 628 HOH A O   1 ? 
HETATM 1868 O  O   . HOH D 4 .   ? 11.461  -34.114 -2.121  1.000 33.882 0 629 HOH A O   1 ? 
HETATM 1869 O  O   . HOH D 4 .   ? 3.650   -19.202 13.392  1.000 26.942 0 630 HOH A O   1 ? 
HETATM 1870 O  O   . HOH D 4 .   ? -8.789  -23.442 -32.505 1.000 51.131 0 631 HOH A O   1 ? 
HETATM 1871 O  O   . HOH D 4 .   ? 16.145  -5.959  -19.087 1.000 19.154 0 632 HOH A O   1 ? 
HETATM 1872 O  O   . HOH D 4 .   ? -3.247  -15.711 9.386   1.000 21.976 0 633 HOH A O   1 ? 
HETATM 1873 O  O   . HOH D 4 .   ? 23.220  -28.464 -4.414  1.000 30.697 0 634 HOH A O   1 ? 
HETATM 1874 O  O   . HOH D 4 .   ? 14.948  -9.871  -20.255 1.000 20.942 0 635 HOH A O   1 ? 
HETATM 1875 O  O   . HOH D 4 .   ? 2.118   -12.542 8.919   1.000 47.305 0 636 HOH A O   1 ? 
HETATM 1876 O  O   . HOH D 4 .   ? -9.982  -20.808 6.157   1.000 13.033 0 637 HOH A O   1 ? 
HETATM 1877 O  O   . HOH D 4 .   ? 9.364   -14.316 -33.542 1.000 46.535 0 638 HOH A O   1 ? 
HETATM 1878 O  O   . HOH D 4 .   ? 10.024  -20.948 -36.973 1.000 42.132 0 639 HOH A O   1 ? 
HETATM 1879 O  O   . HOH D 4 .   ? -13.059 -23.255 -23.937 1.000 39.588 0 640 HOH A O   1 ? 
HETATM 1880 O  O   . HOH D 4 .   ? 8.417   -37.500 -2.852  1.000 29.639 0 641 HOH A O   1 ? 
HETATM 1881 O  O   . HOH D 4 .   ? 19.878  -24.300 -18.529 1.000 43.261 0 642 HOH A O   1 ? 
HETATM 1882 O  O   . HOH D 4 .   ? -6.644  -33.108 -21.885 1.000 26.383 0 643 HOH A O   1 ? 
HETATM 1883 O  O   . HOH D 4 .   ? 3.400   -9.314  -12.874 1.000 24.804 0 644 HOH A O   1 ? 
HETATM 1884 O  O   . HOH D 4 .   ? 8.188   -18.215 -36.916 1.000 51.559 0 645 HOH A O   1 ? 
HETATM 1885 O  O   . HOH D 4 .   ? 20.961  -9.177  -11.534 1.000 29.125 0 646 HOH A O   1 ? 
HETATM 1886 O  O   . HOH D 4 .   ? 21.918  -30.312 -3.378  1.000 34.495 0 647 HOH A O   1 ? 
HETATM 1887 O  O   . HOH D 4 .   ? 20.929  -9.857  -14.070 1.000 23.767 0 648 HOH A O   1 ? 
HETATM 1888 O  O   . HOH D 4 .   ? -15.146 -20.341 -19.774 1.000 29.697 0 649 HOH A O   1 ? 
HETATM 1889 O  O   . HOH D 4 .   ? 14.442  -4.664  -11.879 1.000 25.818 0 650 HOH A O   1 ? 
HETATM 1890 O  O   . HOH D 4 .   ? 1.926   -38.695 -1.780  1.000 28.514 0 651 HOH A O   1 ? 
HETATM 1891 O  O   . HOH D 4 .   ? 8.393   -5.142  -7.935  1.000 42.000 0 652 HOH A O   1 ? 
HETATM 1892 O  O   . HOH D 4 .   ? 1.484   -8.487  -21.191 1.000 18.573 0 653 HOH A O   1 ? 
HETATM 1893 O  O   . HOH D 4 .   ? -12.686 -31.511 9.807   1.000 37.757 0 654 HOH A O   1 ? 
HETATM 1894 O  O   . HOH D 4 .   ? 19.679  -19.309 -14.220 1.000 33.244 0 655 HOH A O   1 ? 
HETATM 1895 O  O   . HOH D 4 .   ? -2.706  -23.837 12.238  1.000 36.779 0 656 HOH A O   1 ? 
HETATM 1896 O  O   . HOH D 4 .   ? 18.088  -22.169 -21.900 1.000 45.176 0 657 HOH A O   1 ? 
HETATM 1897 O  O   . HOH D 4 .   ? 12.779  -9.436  -22.066 1.000 15.894 0 658 HOH A O   1 ? 
HETATM 1898 O  O   . HOH D 4 .   ? 18.915  -7.457  -10.841 1.000 25.168 0 659 HOH A O   1 ? 
HETATM 1899 O  O   . HOH D 4 .   ? 17.063  -11.109 -21.597 1.000 24.055 0 660 HOH A O   1 ? 
HETATM 1900 O  O   . HOH D 4 .   ? -12.979 -26.774 11.264  1.000 55.284 0 661 HOH A O   1 ? 
HETATM 1901 O  O   . HOH D 4 .   ? 19.705  -30.343 0.539   1.000 26.380 0 662 HOH A O   1 ? 
HETATM 1902 O  O   . HOH D 4 .   ? 18.358  -4.955  -17.907 1.000 37.710 0 663 HOH A O   1 ? 
HETATM 1903 O  O   . HOH D 4 .   ? 7.686   -33.787 -20.197 1.000 21.853 0 664 HOH A O   1 ? 
HETATM 1904 O  O   . HOH D 4 .   ? 10.125  -35.268 4.128   1.000 19.896 0 665 HOH A O   1 ? 
HETATM 1905 O  O   . HOH D 4 .   ? 9.346   -5.412  4.839   1.000 32.377 0 666 HOH A O   1 ? 
HETATM 1906 O  O   . HOH D 4 .   ? 1.840   -10.290 8.536   1.000 31.339 0 667 HOH A O   1 ? 
HETATM 1907 O  O   . HOH D 4 .   ? 4.947   -27.236 -32.125 1.000 21.359 0 668 HOH A O   1 ? 
HETATM 1908 O  O   . HOH D 4 .   ? 6.989   -33.312 10.463  1.000 43.063 0 669 HOH A O   1 ? 
HETATM 1909 O  O   . HOH D 4 .   ? -16.178 -20.706 -10.461 1.000 27.988 0 670 HOH A O   1 ? 
HETATM 1910 O  O   . HOH D 4 .   ? 5.123   -5.550  -21.627 1.000 33.550 0 671 HOH A O   1 ? 
HETATM 1911 O  O   . HOH D 4 .   ? -3.080  -37.383 -15.917 1.000 27.036 0 672 HOH A O   1 ? 
HETATM 1912 O  O   . HOH D 4 .   ? 21.840  -19.111 -10.100 1.000 31.129 0 673 HOH A O   1 ? 
HETATM 1913 O  O   . HOH D 4 .   ? 19.415  -10.110 -18.728 1.000 28.791 0 674 HOH A O   1 ? 
HETATM 1914 O  O   . HOH D 4 .   ? -14.417 -32.955 -13.834 1.000 17.496 0 675 HOH A O   1 ? 
HETATM 1915 O  O   . HOH D 4 .   ? -16.268 -30.926 -12.730 1.000 28.577 0 676 HOH A O   1 ? 
HETATM 1916 O  O   . HOH D 4 .   ? -14.613 -22.258 -14.795 1.000 28.000 0 677 HOH A O   1 ? 
HETATM 1917 O  O   . HOH D 4 .   ? -7.022  -11.369 -32.069 1.000 39.571 0 678 HOH A O   1 ? 
HETATM 1918 O  O   . HOH D 4 .   ? 0.154   -17.675 13.129  1.000 41.801 0 679 HOH A O   1 ? 
HETATM 1919 O  O   . HOH D 4 .   ? -4.648  -21.826 -33.687 1.000 35.878 0 680 HOH A O   1 ? 
HETATM 1920 O  O   . HOH D 4 .   ? -12.713 -29.165 10.656  1.000 29.759 0 681 HOH A O   1 ? 
HETATM 1921 O  O   . HOH D 4 .   ? 9.007   -7.557  -21.840 1.000 21.281 0 682 HOH A O   1 ? 
HETATM 1922 O  O   . HOH D 4 .   ? -15.334 -31.554 -2.052  1.000 31.109 0 683 HOH A O   1 ? 
HETATM 1923 O  O   . HOH D 4 .   ? 11.582  -18.182 -33.324 1.000 26.816 0 684 HOH A O   1 ? 
HETATM 1924 O  O   . HOH D 4 .   ? -1.368  -30.038 -28.863 1.000 26.465 0 685 HOH A O   1 ? 
HETATM 1925 O  O   . HOH D 4 .   ? 9.153   -31.160 11.968  1.000 27.359 0 686 HOH A O   1 ? 
HETATM 1926 O  O   . HOH D 4 .   ? -2.489  -34.331 -15.520 1.000 23.730 0 687 HOH A O   1 ? 
HETATM 1927 O  O   . HOH D 4 .   ? -3.936  -9.270  -29.195 1.000 24.199 0 688 HOH A O   1 ? 
HETATM 1928 O  O   . HOH D 4 .   ? -9.972  -28.561 11.033  1.000 24.038 0 689 HOH A O   1 ? 
HETATM 1929 O  O   . HOH D 4 .   ? -11.380 -15.719 -32.093 1.000 40.568 0 690 HOH A O   1 ? 
HETATM 1930 O  O   . HOH D 4 .   ? -17.075 -27.915 -2.645  1.000 24.877 0 691 HOH A O   1 ? 
HETATM 1931 O  O   . HOH D 4 .   ? 21.068  -32.868 -5.010  1.000 37.890 0 692 HOH A O   1 ? 
HETATM 1932 O  O   . HOH D 4 .   ? -17.320 -27.829 4.804   1.000 32.894 0 693 HOH A O   1 ? 
HETATM 1933 O  O   . HOH D 4 .   ? -16.405 -28.489 -5.423  1.000 14.888 0 694 HOH A O   1 ? 
HETATM 1934 O  O   . HOH D 4 .   ? 16.247  -12.211 -23.992 1.000 27.257 0 695 HOH A O   1 ? 
HETATM 1935 O  O   . HOH D 4 .   ? 2.107   -19.367 -34.298 1.000 37.038 0 696 HOH A O   1 ? 
HETATM 1936 O  O   . HOH D 4 .   ? -4.333  -27.435 -29.088 1.000 23.625 0 697 HOH A O   1 ? 
HETATM 1937 O  O   . HOH D 4 .   ? -0.490  -27.391 -29.133 1.000 16.531 0 698 HOH A O   1 ? 
HETATM 1938 O  O   . HOH D 4 .   ? 12.815  -24.990 -29.285 1.000 33.125 0 699 HOH A O   1 ? 
HETATM 1939 O  O   . HOH D 4 .   ? 14.041  -24.090 -31.442 1.000 27.284 0 700 HOH A O   1 ? 
HETATM 1940 O  O   . HOH D 4 .   ? 7.856   -36.773 5.191   1.000 32.628 0 701 HOH A O   1 ? 
HETATM 1941 O  O   . HOH D 4 .   ? -0.600  -34.665 -13.278 1.000 27.884 0 702 HOH A O   1 ? 
HETATM 1942 O  O   . HOH D 4 .   ? -14.387 -34.338 -1.516  1.000 44.227 0 703 HOH A O   1 ? 
HETATM 1943 O  O   . HOH D 4 .   ? -0.776  -24.006 -31.915 1.000 19.872 0 704 HOH A O   1 ? 
HETATM 1944 O  O   . HOH D 4 .   ? 3.649   -27.049 -34.741 1.000 34.468 0 705 HOH A O   1 ? 
HETATM 1945 O  O   . HOH D 4 .   ? -3.357  -27.578 -31.927 1.000 28.566 0 706 HOH A O   1 ? 
HETATM 1946 O  O   . HOH D 4 .   ? 18.331  -8.617  -21.328 1.000 42.981 0 707 HOH A O   1 ? 
HETATM 1947 O  O   . HOH D 4 .   ? 16.541  -6.716  -21.441 1.000 32.488 0 708 HOH A O   1 ? 
HETATM 1948 O  O   . HOH D 4 .   ? -2.226  -22.787 -34.125 1.000 43.338 0 709 HOH A O   1 ? 
HETATM 1949 O  O   . HOH D 4 .   ? -19.079 -25.421 5.399   1.000 52.008 0 710 HOH A O   1 ? 
HETATM 1950 O  O   . HOH D 4 .   ? -8.422  -26.461 12.467  1.000 41.662 0 711 HOH A O   1 ? 
HETATM 1951 O  O   . HOH D 4 .   ? 22.572  -18.583 -14.589 1.000 36.449 0 712 HOH A O   1 ? 
HETATM 1952 O  O   . HOH D 4 .   ? -0.761  -26.823 -31.786 1.000 24.238 0 713 HOH A O   1 ? 
HETATM 1953 O  O   . HOH D 4 .   ? -3.651  -26.173 14.355  1.000 46.411 0 714 HOH A O   1 ? 
HETATM 1954 O  O   . HOH D 4 .   ? -18.939 -31.666 -14.131 1.000 36.147 0 715 HOH A O   1 ? 
# 
