data_9AWQ
# 
_entry.id   9AWQ 
# 
_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   9AWQ         pdb_00009awq 10.2210/pdb9awq/pdb 
WWPDB D_1000282211 ?            ?                   
# 
_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                        9AWQ 
_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 275 Kelvin with benzamidine' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Lima, L.M.T.R.'    1 0000-0001-6020-0504 
primary 'de Sa Ribeiro, F.' 2 0000-0002-8521-6745 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Cationic trypsin' 23324.287 1   3.4.21.4 ? ? ? 
2 non-polymer syn 'CALCIUM ION'      40.078    1   ?        ? ? ? 
3 non-polymer syn BENZAMIDINE        120.152   1   ?        ? ? ? 
4 water       nat water              18.015    120 ?        ? ? ? 
# 
_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_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 BEN ? ? BEN ? ? 'SUBJECT OF INVESTIGATION' ? 
2 CA  ? ? CA  ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
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   401 110 HOH HOH A . 
D 4 HOH 2   402 109 HOH HOH A . 
D 4 HOH 3   403 80  HOH HOH A . 
D 4 HOH 4   404 92  HOH HOH A . 
D 4 HOH 5   405 32  HOH HOH A . 
D 4 HOH 6   406 104 HOH HOH A . 
D 4 HOH 7   407 57  HOH HOH A . 
D 4 HOH 8   408 7   HOH HOH A . 
D 4 HOH 9   409 15  HOH HOH A . 
D 4 HOH 10  410 79  HOH HOH A . 
D 4 HOH 11  411 50  HOH HOH A . 
D 4 HOH 12  412 55  HOH HOH A . 
D 4 HOH 13  413 107 HOH HOH A . 
D 4 HOH 14  414 4   HOH HOH A . 
D 4 HOH 15  415 61  HOH HOH A . 
D 4 HOH 16  416 71  HOH HOH A . 
D 4 HOH 17  417 40  HOH HOH A . 
D 4 HOH 18  418 94  HOH HOH A . 
D 4 HOH 19  419 48  HOH HOH A . 
D 4 HOH 20  420 59  HOH HOH A . 
D 4 HOH 21  421 86  HOH HOH A . 
D 4 HOH 22  422 43  HOH HOH A . 
D 4 HOH 23  423 117 HOH HOH A . 
D 4 HOH 24  424 16  HOH HOH A . 
D 4 HOH 25  425 75  HOH HOH A . 
D 4 HOH 26  426 26  HOH HOH A . 
D 4 HOH 27  427 52  HOH HOH A . 
D 4 HOH 28  428 10  HOH HOH A . 
D 4 HOH 29  429 11  HOH HOH A . 
D 4 HOH 30  430 2   HOH HOH A . 
D 4 HOH 31  431 29  HOH HOH A . 
D 4 HOH 32  432 102 HOH HOH A . 
D 4 HOH 33  433 6   HOH HOH A . 
D 4 HOH 34  434 83  HOH HOH A . 
D 4 HOH 35  435 19  HOH HOH A . 
D 4 HOH 36  436 8   HOH HOH A . 
D 4 HOH 37  437 91  HOH HOH A . 
D 4 HOH 38  438 68  HOH HOH A . 
D 4 HOH 39  439 60  HOH HOH A . 
D 4 HOH 40  440 118 HOH HOH A . 
D 4 HOH 41  441 17  HOH HOH A . 
D 4 HOH 42  442 89  HOH HOH A . 
D 4 HOH 43  443 106 HOH HOH A . 
D 4 HOH 44  444 113 HOH HOH A . 
D 4 HOH 45  445 74  HOH HOH A . 
D 4 HOH 46  446 38  HOH HOH A . 
D 4 HOH 47  447 24  HOH HOH A . 
D 4 HOH 48  448 21  HOH HOH A . 
D 4 HOH 49  449 62  HOH HOH A . 
D 4 HOH 50  450 54  HOH HOH A . 
D 4 HOH 51  451 47  HOH HOH A . 
D 4 HOH 52  452 73  HOH HOH A . 
D 4 HOH 53  453 72  HOH HOH A . 
D 4 HOH 54  454 14  HOH HOH A . 
D 4 HOH 55  455 93  HOH HOH A . 
D 4 HOH 56  456 22  HOH HOH A . 
D 4 HOH 57  457 77  HOH HOH A . 
D 4 HOH 58  458 98  HOH HOH A . 
D 4 HOH 59  459 3   HOH HOH A . 
D 4 HOH 60  460 27  HOH HOH A . 
D 4 HOH 61  461 33  HOH HOH A . 
D 4 HOH 62  462 13  HOH HOH A . 
D 4 HOH 63  463 5   HOH HOH A . 
D 4 HOH 64  464 31  HOH HOH A . 
D 4 HOH 65  465 67  HOH HOH A . 
D 4 HOH 66  466 44  HOH HOH A . 
D 4 HOH 67  467 9   HOH HOH A . 
D 4 HOH 68  468 56  HOH HOH A . 
D 4 HOH 69  469 63  HOH HOH A . 
D 4 HOH 70  470 1   HOH HOH A . 
D 4 HOH 71  471 28  HOH HOH A . 
D 4 HOH 72  472 30  HOH HOH A . 
D 4 HOH 73  473 66  HOH HOH A . 
D 4 HOH 74  474 37  HOH HOH A . 
D 4 HOH 75  475 90  HOH HOH A . 
D 4 HOH 76  476 108 HOH HOH A . 
D 4 HOH 77  477 101 HOH HOH A . 
D 4 HOH 78  478 82  HOH HOH A . 
D 4 HOH 79  479 105 HOH HOH A . 
D 4 HOH 80  480 25  HOH HOH A . 
D 4 HOH 81  481 70  HOH HOH A . 
D 4 HOH 82  482 65  HOH HOH A . 
D 4 HOH 83  483 12  HOH HOH A . 
D 4 HOH 84  484 45  HOH HOH A . 
D 4 HOH 85  485 58  HOH HOH A . 
D 4 HOH 86  486 42  HOH HOH A . 
D 4 HOH 87  487 95  HOH HOH A . 
D 4 HOH 88  488 23  HOH HOH A . 
D 4 HOH 89  489 96  HOH HOH A . 
D 4 HOH 90  490 39  HOH HOH A . 
D 4 HOH 91  491 87  HOH HOH A . 
D 4 HOH 92  492 36  HOH HOH A . 
D 4 HOH 93  493 49  HOH HOH A . 
D 4 HOH 94  494 119 HOH HOH A . 
D 4 HOH 95  495 20  HOH HOH A . 
D 4 HOH 96  496 46  HOH HOH A . 
D 4 HOH 97  497 88  HOH HOH A . 
D 4 HOH 98  498 34  HOH HOH A . 
D 4 HOH 99  499 115 HOH HOH A . 
D 4 HOH 100 500 64  HOH HOH A . 
D 4 HOH 101 501 53  HOH HOH A . 
D 4 HOH 102 502 18  HOH HOH A . 
D 4 HOH 103 503 35  HOH HOH A . 
D 4 HOH 104 504 84  HOH HOH A . 
D 4 HOH 105 505 78  HOH HOH A . 
D 4 HOH 106 506 81  HOH HOH A . 
D 4 HOH 107 507 51  HOH HOH A . 
D 4 HOH 108 508 112 HOH HOH A . 
D 4 HOH 109 509 114 HOH HOH A . 
D 4 HOH 110 510 76  HOH HOH A . 
D 4 HOH 111 511 69  HOH HOH A . 
D 4 HOH 112 512 99  HOH HOH A . 
D 4 HOH 113 513 120 HOH HOH A . 
D 4 HOH 114 514 100 HOH HOH A . 
D 4 HOH 115 515 85  HOH HOH A . 
D 4 HOH 116 516 116 HOH HOH A . 
D 4 HOH 117 517 103 HOH HOH A . 
D 4 HOH 118 518 41  HOH HOH A . 
D 4 HOH 119 519 97  HOH HOH A . 
D 4 HOH 120 520 111 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 ? ? ? 5.8.0352 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                     9AWQ 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     54.440 
_cell.length_a_esd                 ? 
_cell.length_b                     57.339 
_cell.length_b_esd                 ? 
_cell.length_c                     67.134 
_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                         9AWQ 
_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                   9AWQ 
_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          45.24 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     275 
_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                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'Bruker PHOTON II' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-11-08 
_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             LAUE 
_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 X8 PROTEUM' 
_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                                       9AWQ 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.491 
_reflns.d_resolution_low                               21.80 
_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                                     33357 
_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                           95.47 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                10 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          13.800 
_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                                   0.804 
_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                                    1.50 
_reflns_shell.d_res_low                                     21.80 
_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                             1669 
_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                                  0.804 
_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]                            0.013 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.013 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -0.000 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               19.660 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.955 
_refine.correlation_coeff_Fo_to_Fc_free          0.936 
_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                                 9AWQ 
_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                            1.491 
_refine.ls_d_res_low                             21.800 
_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                     33357 
_refine.ls_number_reflns_R_free                  1669 
_refine.ls_number_reflns_R_work                  31688 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    95.469 
_refine.ls_percent_reflns_R_free                 5.003 
_refine.ls_R_factor_all                          0.228 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2730 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2262 
_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                      ? 
_refine.ls_wR_factor_R_work                      ? 
_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                       0.093 
_refine.pdbx_overall_ESU_R_Free                  0.099 
_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                             3.098 
_refine.overall_SU_ML                            0.098 
_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                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1629 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         10 
_refine_hist.number_atoms_solvent             120 
_refine_hist.number_atoms_total               1759 
_refine_hist.d_res_high                       1.491 
_refine_hist.d_res_low                        21.800 
# 
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' ? 0.008  0.011  1669 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1484 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.467  1.619  2263 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.506  1.552  3479 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.017  5.000  222  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 7.650  10.000 2    ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.089  5.000  1    ? r_dihedral_angle_other_2_deg   ? ? 
'X-RAY DIFFRACTION' ? 13.781 10.000 269  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 16.949 10.000 58   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.071  0.200  254  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  1898 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  310  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.212  0.200  280  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.201  0.200  1340 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.173  0.200  835  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.083  0.200  939  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.362  0.200  99   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.116  0.200  6    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.129  0.200  8    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.213  0.200  21   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.134  0.200  8    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.627  1.966  891  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.626  1.966  891  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.391  2.949  1112 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.390  2.949  1113 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.521  2.194  778  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.520  2.194  779  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.745  3.171  1151 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.745  3.171  1151 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.714  29.335 1858 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.371  27.217 1831 ? 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' 1.491 1.529  2510 . 126 2011 85.1394 . 0.488 . . 0.489 . . . . . 0.463 . 20 . 0.783 0.801 0.468 
'X-RAY DIFFRACTION' 1.529 1.571  2478 . 96  2182 91.9290 . 0.463 . . 0.464 . . . . . 0.453 . 20 . 0.782 0.853 0.445 
'X-RAY DIFFRACTION' 1.571 1.616  2397 . 95  2084 90.9053 . 0.429 . . 0.430 . . . . . 0.416 . 20 . 0.836 0.855 0.405 
'X-RAY DIFFRACTION' 1.616 1.666  2352 . 108 1971 88.3929 . 0.434 . . 0.433 . . . . . 0.423 . 20 . 0.856 0.832 0.453 
'X-RAY DIFFRACTION' 1.666 1.720  2255 . 103 1974 92.1064 . 0.443 . . 0.442 . . . . . 0.416 . 20 . 0.879 0.885 0.457 
'X-RAY DIFFRACTION' 1.720 1.780  2187 . 126 1992 96.8450 . 0.374 . . 0.374 . . . . . 0.339 . 20 . 0.918 0.923 0.380 
'X-RAY DIFFRACTION' 1.780 1.847  2157 . 93  2043 99.0264 . 0.317 . . 0.314 . . . . . 0.261 . 20 . 0.932 0.900 0.392 
'X-RAY DIFFRACTION' 1.847 1.922  2056 . 103 1932 98.9786 . 0.281 . . 0.278 . . . . . 0.233 . 20 . 0.942 0.923 0.336 
'X-RAY DIFFRACTION' 1.922 2.007  1951 . 118 1807 98.6674 . 0.282 . . 0.279 . . . . . 0.238 . 20 . 0.945 0.924 0.327 
'X-RAY DIFFRACTION' 2.007 2.104  1891 . 97  1757 98.0434 . 0.255 . . 0.250 . . . . . 0.206 . 20 . 0.958 0.918 0.349 
'X-RAY DIFFRACTION' 2.104 2.216  1800 . 95  1686 98.9444 . 0.211 . . 0.211 . . . . . 0.182 . 20 . 0.974 0.971 0.218 
'X-RAY DIFFRACTION' 2.216 2.349  1700 . 64  1618 98.9412 . 0.186 . . 0.184 . . . . . 0.165 . 20 . 0.979 0.954 0.257 
'X-RAY DIFFRACTION' 2.349 2.509  1614 . 73  1536 99.6902 . 0.176 . . 0.172 . . . . . 0.155 . 20 . 0.981 0.957 0.254 
'X-RAY DIFFRACTION' 2.509 2.707  1511 . 71  1435 99.6691 . 0.157 . . 0.154 . . . . . 0.143 . 20 . 0.984 0.968 0.230 
'X-RAY DIFFRACTION' 2.707 2.961  1392 . 82  1306 99.7126 . 0.161 . . 0.159 . . . . . 0.151 . 20 . 0.984 0.971 0.202 
'X-RAY DIFFRACTION' 2.961 3.303  1276 . 60  1212 99.6865 . 0.150 . . 0.148 . . . . . 0.143 . 20 . 0.986 0.977 0.199 
'X-RAY DIFFRACTION' 3.303 3.800  1133 . 57  1067 99.2057 . 0.151 . . 0.148 . . . . . 0.149 . 20 . 0.986 0.979 0.206 
'X-RAY DIFFRACTION' 3.800 4.619  975  . 48  915  98.7692 . 0.163 . . 0.162 . . . . . 0.166 . 20 . 0.983 0.978 0.189 
'X-RAY DIFFRACTION' 4.619 6.390  790  . 28  711  93.5443 . 0.208 . . 0.205 . . . . . 0.213 . 20 . 0.976 0.961 0.299 
'X-RAY DIFFRACTION' 6.390 21.800 498  . 26  448  95.1807 . 0.199 . . 0.199 . . . . . 0.224 . 20 . 0.968 0.985 0.204 
# 
_struct.entry_id                     9AWQ 
_struct.title                        'Crystal structure of trypsin at 275 Kelvin with benzamidine' 
_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        9AWQ 
_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              9AWQ 
_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_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]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
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 ? ALA A 221 ? TYR A 212 ALA A 221 1 ? 10 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 7   SG  ? ? ? 1_555 A CYS 137 SG ? ? A CYS 7   A CYS 137 1_555 ? ? ? ? ? ? ? 2.058 ? ? 
disulf2 disulf ? ? A CYS 25  SG  ? ? ? 1_555 A CYS 41  SG ? ? A CYS 25  A CYS 41  1_555 ? ? ? ? ? ? ? 2.118 ? ? 
disulf3 disulf ? ? A CYS 109 SG  ? ? ? 1_555 A CYS 210 SG ? ? A CYS 109 A CYS 210 1_555 ? ? ? ? ? ? ? 2.051 ? ? 
disulf4 disulf ? ? A CYS 116 SG  ? ? ? 1_555 A CYS 183 SG ? ? A CYS 116 A CYS 183 1_555 ? ? ? ? ? ? ? 2.071 ? ? 
disulf5 disulf ? ? A CYS 148 SG  ? ? ? 1_555 A CYS 162 SG ? ? A CYS 148 A CYS 162 1_555 ? ? ? ? ? ? ? 2.030 ? ? 
disulf6 disulf ? ? A CYS 173 SG  ? ? ? 1_555 A CYS 197 SG ? ? A CYS 173 A CYS 197 1_555 ? ? ? ? ? ? ? 2.035 ? ? 
metalc1 metalc ? ? A GLU 52  OE1 ? ? ? 1_555 B CA  .   CA ? ? A GLU 52  A CA  301 1_555 ? ? ? ? ? ? ? 2.279 ? ? 
metalc2 metalc ? ? A ASN 54  O   ? ? ? 1_555 B CA  .   CA ? ? A ASN 54  A CA  301 1_555 ? ? ? ? ? ? ? 2.346 ? ? 
metalc3 metalc ? ? A VAL 57  O   ? ? ? 1_555 B CA  .   CA ? ? A VAL 57  A CA  301 1_555 ? ? ? ? ? ? ? 2.298 ? ? 
metalc4 metalc ? ? A GLU 62  OE2 ? ? ? 1_555 B CA  .   CA ? ? A GLU 62  A CA  301 1_555 ? ? ? ? ? ? ? 2.275 ? ? 
metalc5 metalc ? ? B CA  .   CA  ? ? ? 1_555 D HOH .   O  ? ? A CA  301 A HOH 402 1_555 ? ? ? ? ? ? ? 2.309 ? ? 
metalc6 metalc ? ? B CA  .   CA  ? ? ? 1_555 D HOH .   O  ? ? A CA  301 A HOH 480 1_555 ? ? ? ? ? ? ? 2.338 ? ? 
# 
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 89.5  ? 
2  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57  ? 1_555 159.4 ? 
3  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57  ? 1_555 81.2  ? 
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_555 101.1 ? 
5  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 167.1 ? 
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 90.9  ? 
7  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 402 ? 1_555 95.2  ? 
8  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 402 ? 1_555 88.4  ? 
9  O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 402 ? 1_555 102.9 ? 
10 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 402 ? 1_555 83.3  ? 
11 OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 480 ? 1_555 79.6  ? 
12 O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 480 ? 1_555 99.2  ? 
13 O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 480 ? 1_555 83.8  ? 
14 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 480 ? 1_555 90.1  ? 
15 O   ? D HOH .  ? A HOH 402 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 480 ? 1_555 170.6 ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 7   ? CYS A 137 ? CYS A 7   ? 1_555 CYS A 137 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 25  ? CYS A 41  ? CYS A 25  ? 1_555 CYS A 41  ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 109 ? CYS A 210 ? CYS A 109 ? 1_555 CYS A 210 ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 116 ? CYS A 183 ? CYS A 116 ? 1_555 CYS A 183 ? 1_555 SG SG . . . None 'Disulfide bridge' 
5 CYS A 148 ? CYS A 162 ? CYS A 148 ? 1_555 CYS A 162 ? 1_555 SG SG . . . None 'Disulfide bridge' 
6 CYS A 173 ? CYS A 197 ? CYS A 173 ? 1_555 CYS A 197 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 7 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA2 6 7 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 TYR A 5   ? THR A 6   ? TYR A 5   THR A 6   
AA1 2 LYS A 136 ? PRO A 141 ? LYS A 136 PRO A 141 
AA1 3 GLN A 115 ? GLY A 120 ? GLN A 115 GLY A 120 
AA1 4 PRO A 180 ? CYS A 183 ? PRO A 180 CYS A 183 
AA1 5 LYS A 186 ? TRP A 193 ? LYS A 186 TRP A 193 
AA1 6 GLY A 204 ? LYS A 208 ? GLY A 204 LYS A 208 
AA1 7 MET A 160 ? ALA A 163 ? MET A 160 ALA A 163 
AA2 1 GLN A 15  ? ASN A 19  ? GLN A 15  ASN A 19  
AA2 2 HIS A 23  ? ASN A 31  ? HIS A 23  ASN A 31  
AA2 3 TRP A 34  ? SER A 37  ? TRP A 34  SER A 37  
AA2 4 MET A 86  ? LEU A 90  ? MET A 86  LEU A 90  
AA2 5 GLN A 63  ? VAL A 72  ? GLN A 63  VAL A 72  
AA2 6 GLN A 47  ? LEU A 50  ? GLN A 47  LEU A 50  
AA2 7 GLN A 15  ? ASN A 19  ? GLN A 15  ASN A 19  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N TYR A 5   ? N TYR A 5   O CYS A 137 ? O CYS A 137 
AA1 2 3 O LEU A 138 ? O LEU A 138 N ILE A 118 ? N ILE A 118 
AA1 3 4 N LEU A 117 ? N LEU A 117 O VAL A 182 ? O VAL A 182 
AA1 4 5 N CYS A 183 ? N CYS A 183 O LYS A 186 ? O LYS A 186 
AA1 5 6 N TRP A 193 ? N TRP A 193 O VAL A 205 ? O VAL A 205 
AA1 6 7 O TYR A 206 ? O TYR A 206 N PHE A 161 ? N PHE A 161 
AA2 1 2 N LEU A 18  ? N LEU A 18  O CYS A 25  ? O CYS A 25  
AA2 2 3 N SER A 28  ? N SER A 28  O VAL A 36  ? O VAL A 36  
AA2 3 4 N VAL A 35  ? N VAL A 35  O ILE A 88  ? O ILE A 88  
AA2 4 5 O LYS A 89  ? O LYS A 89  N SER A 68  ? N SER A 68  
AA2 5 6 O ILE A 65  ? O ILE A 65  N VAL A 48  ? N VAL A 48  
AA2 6 7 O GLN A 47  ? O GLN A 47  N ASN A 19  ? N ASN A 19  
# 
_pdbx_entry_details.entry_id                   9AWQ 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_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 500 ? ? O A HOH 517 ? ? 2.07 
2 1 NE2 A GLN 155 ? ? O A HOH 401 ? ? 2.08 
3 1 OE1 A GLU 59  ? ? O A HOH 402 ? ? 2.08 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     53 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -117.91 
_pdbx_validate_torsion.psi             -72.19 
# 
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                    9AWQ 
_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]   0.018369 
_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]   0.017440 
_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]   0.014896 
_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   ? 8.385   -8.521  -13.095 1.000 15.293 0 1   ILE A N   1 ? 
ATOM   2    C  CA  . ILE A 1 1   ? 8.384   -7.543  -14.233 1.000 16.267 0 1   ILE A CA  1 ? 
ATOM   3    C  C   . ILE A 1 1   ? 9.674   -7.754  -15.040 1.000 16.613 0 1   ILE A C   1 ? 
ATOM   4    O  O   . ILE A 1 1   ? 10.780  -7.655  -14.480 1.000 17.052 0 1   ILE A O   1 ? 
ATOM   5    C  CB  . ILE A 1 1   ? 8.336   -6.084  -13.724 1.000 16.755 0 1   ILE A CB  1 ? 
ATOM   6    C  CG1 . ILE A 1 1   ? 7.116   -5.751  -12.853 1.000 15.424 0 1   ILE A CG1 1 ? 
ATOM   7    C  CG2 . ILE A 1 1   ? 8.518   -5.084  -14.872 1.000 18.027 0 1   ILE A CG2 1 ? 
ATOM   8    C  CD1 . ILE A 1 1   ? 5.797   -5.840  -13.537 1.000 15.770 0 1   ILE A CD1 1 ? 
ATOM   9    N  N   . VAL A 1 2   ? 9.497   -8.032  -16.338 1.000 14.995 0 2   VAL A N   1 ? 
ATOM   10   C  CA  . VAL A 1 2   ? 10.571  -8.202  -17.305 1.000 16.953 0 2   VAL A CA  1 ? 
ATOM   11   C  C   . VAL A 1 2   ? 10.750  -6.907  -18.085 1.000 18.323 0 2   VAL A C   1 ? 
ATOM   12   O  O   . VAL A 1 2   ? 9.779   -6.368  -18.606 1.000 19.353 0 2   VAL A O   1 ? 
ATOM   13   C  CB  . VAL A 1 2   ? 10.264  -9.358  -18.263 1.000 17.492 0 2   VAL A CB  1 ? 
ATOM   14   C  CG1 . VAL A 1 2   ? 11.446  -9.575  -19.217 1.000 18.827 0 2   VAL A CG1 1 ? 
ATOM   15   C  CG2 . VAL A 1 2   ? 9.908   -10.612 -17.500 1.000 18.639 0 2   VAL A CG2 1 ? 
ATOM   16   N  N   . GLY A 1 3   ? 11.990  -6.399  -18.075 1.000 18.425 0 3   GLY A N   1 ? 
ATOM   17   C  CA  . GLY A 1 3   ? 12.400  -5.274  -18.903 1.000 18.642 0 3   GLY A CA  1 ? 
ATOM   18   C  C   . GLY A 1 3   ? 11.871  -3.941  -18.390 1.000 19.094 0 3   GLY A C   1 ? 
ATOM   19   O  O   . GLY A 1 3   ? 11.628  -3.034  -19.179 1.000 23.420 0 3   GLY A O   1 ? 
ATOM   20   N  N   . GLY A 1 4   ? 11.644  -3.861  -17.082 1.000 18.640 0 4   GLY A N   1 ? 
ATOM   21   C  CA  . GLY A 1 4   ? 11.141  -2.661  -16.434 1.000 19.591 0 4   GLY A CA  1 ? 
ATOM   22   C  C   . GLY A 1 4   ? 12.261  -1.921  -15.704 1.000 21.416 0 4   GLY A C   1 ? 
ATOM   23   O  O   . GLY A 1 4   ? 13.432  -2.086  -16.023 1.000 22.681 0 4   GLY A O   1 ? 
ATOM   24   N  N   . TYR A 1 5   ? 11.894  -1.127  -14.702 1.000 20.704 0 5   TYR A N   1 ? 
ATOM   25   C  CA  . TYR A 1 5   ? 12.859  -0.317  -13.985 1.000 20.436 0 5   TYR A CA  1 ? 
ATOM   26   C  C   . TYR A 1 5   ? 12.540  -0.429  -12.496 1.000 19.378 0 5   TYR A C   1 ? 
ATOM   27   O  O   . TYR A 1 5   ? 11.426  -0.801  -12.119 1.000 17.460 0 5   TYR A O   1 ? 
ATOM   28   C  CB  . TYR A 1 5   ? 12.895  1.114   -14.531 1.000 20.718 0 5   TYR A CB  1 ? 
ATOM   29   C  CG  . TYR A 1 5   ? 11.601  1.877   -14.406 1.000 19.126 0 5   TYR A CG  1 ? 
ATOM   30   C  CD1 . TYR A 1 5   ? 10.551  1.643   -15.282 1.000 20.136 0 5   TYR A CD1 1 ? 
ATOM   31   C  CD2 . TYR A 1 5   ? 11.401  2.797   -13.393 1.000 19.681 0 5   TYR A CD2 1 ? 
ATOM   32   C  CE1 . TYR A 1 5   ? 9.354   2.333   -15.174 1.000 18.397 0 5   TYR A CE1 1 ? 
ATOM   33   C  CE2 . TYR A 1 5   ? 10.203  3.489   -13.274 1.000 18.716 0 5   TYR A CE2 1 ? 
ATOM   34   C  CZ  . TYR A 1 5   ? 9.173   3.235   -14.151 1.000 17.390 0 5   TYR A CZ  1 ? 
ATOM   35   O  OH  . TYR A 1 5   ? 7.961   3.877   -14.111 1.000 21.080 0 5   TYR A OH  1 ? 
ATOM   36   N  N   . THR A 1 6   ? 13.533  -0.096  -11.669 1.000 20.092 0 6   THR A N   1 ? 
ATOM   37   C  CA  . THR A 1 6   ? 13.356  0.056   -10.234 1.000 20.464 0 6   THR A CA  1 ? 
ATOM   38   C  C   . THR A 1 6   ? 12.467  1.262   -9.941  1.000 20.598 0 6   THR A C   1 ? 
ATOM   39   O  O   . THR A 1 6   ? 12.851  2.396   -10.249 1.000 20.599 0 6   THR A O   1 ? 
ATOM   40   C  CB  . THR A 1 6   ? 14.694  0.284   -9.520  1.000 21.588 0 6   THR A CB  1 ? 
ATOM   41   O  OG1 . THR A 1 6   ? 15.496  -0.885  -9.699  1.000 21.573 0 6   THR A OG1 1 ? 
ATOM   42   C  CG2 . THR A 1 6   ? 14.505  0.559   -8.042  1.000 21.672 0 6   THR A CG2 1 ? 
ATOM   43   N  N   . CYS A 1 7   ? 11.298  1.040   -9.303  1.000 17.908 0 7   CYS A N   1 ? 
ATOM   44   C  CA  . CYS A 1 7   ? 10.346  2.130   -9.118  1.000 16.878 0 7   CYS A CA  1 ? 
ATOM   45   C  C   . CYS A 1 7   ? 10.939  3.250   -8.255  1.000 19.041 0 7   CYS A C   1 ? 
ATOM   46   O  O   . CYS A 1 7   ? 10.680  4.446   -8.463  1.000 20.330 0 7   CYS A O   1 ? 
ATOM   47   C  CB  . CYS A 1 7   ? 9.083   1.674   -8.404  1.000 16.545 0 7   CYS A CB  1 ? 
ATOM   48   S  SG  . CYS A 1 7   ? 8.241   0.290   -9.199  1.000 16.678 0 7   CYS A SG  1 ? 
ATOM   49   N  N   . GLY A 1 8   ? 11.637  2.853   -7.201  1.000 22.751 0 8   GLY A N   1 ? 
ATOM   50   C  CA  . GLY A 1 8   ? 12.069  3.806   -6.183  1.000 23.383 0 8   GLY A CA  1 ? 
ATOM   51   C  C   . GLY A 1 8   ? 11.160  3.739   -4.964  1.000 23.909 0 8   GLY A C   1 ? 
ATOM   52   O  O   . GLY A 1 8   ? 9.948   3.585   -5.107  1.000 24.119 0 8   GLY A O   1 ? 
ATOM   53   N  N   . ALA A 1 9   ? 11.751  3.826   -3.762  1.000 24.203 0 9   ALA A N   1 ? 
ATOM   54   C  CA  . ALA A 1 9   ? 11.027  3.538   -2.528  1.000 25.110 0 9   ALA A CA  1 ? 
ATOM   55   C  C   . ALA A 1 9   ? 9.721   4.332   -2.427  1.000 25.689 0 9   ALA A C   1 ? 
ATOM   56   O  O   . ALA A 1 9   ? 9.730   5.550   -2.531  1.000 23.596 0 9   ALA A O   1 ? 
ATOM   57   C  CB  . ALA A 1 9   ? 11.889  3.777   -1.313  1.000 28.487 0 9   ALA A CB  1 ? 
ATOM   58   N  N   . ASN A 1 10  ? 8.613   3.591   -2.243  1.000 27.326 0 10  ASN A N   1 ? 
ATOM   59   C  CA  . ASN A 1 10  ? 7.299   4.114   -1.889  1.000 28.748 0 10  ASN A CA  1 ? 
ATOM   60   C  C   . ASN A 1 10  ? 6.804   5.186   -2.883  1.000 26.226 0 10  ASN A C   1 ? 
ATOM   61   O  O   . ASN A 1 10  ? 6.019   6.055   -2.517  1.000 28.475 0 10  ASN A O   1 ? 
ATOM   62   C  CB  . ASN A 1 10  ? 7.313   4.549   -0.415  1.000 30.603 0 10  ASN A CB  1 ? 
ATOM   63   C  CG  . ASN A 1 10  ? 7.889   3.498   0.520   1.000 31.629 0 10  ASN A CG  1 ? 
ATOM   64   O  OD1 . ASN A 1 10  ? 8.960   3.696   1.089   1.000 31.418 0 10  ASN A OD1 1 ? 
ATOM   65   N  ND2 . ASN A 1 10  ? 7.210   2.374   0.692   1.000 29.188 0 10  ASN A ND2 1 ? 
ATOM   66   N  N   . THR A 1 11  ? 7.173   5.072   -4.173  1.000 21.787 0 11  THR A N   1 ? 
ATOM   67   C  CA  . THR A 1 11  ? 6.614   5.878   -5.243  1.000 19.595 0 11  THR A CA  1 ? 
ATOM   68   C  C   . THR A 1 11  ? 5.378   5.199   -5.860  1.000 18.681 0 11  THR A C   1 ? 
ATOM   69   O  O   . THR A 1 11  ? 4.719   5.758   -6.743  1.000 19.575 0 11  THR A O   1 ? 
ATOM   70   C  CB  . THR A 1 11  ? 7.655   6.103   -6.348  1.000 22.219 0 11  THR A CB  1 ? 
ATOM   71   O  OG1 . THR A 1 11  ? 8.030   4.826   -6.851  1.000 18.949 0 11  THR A OG1 1 ? 
ATOM   72   C  CG2 . THR A 1 11  ? 8.873   6.874   -5.889  1.000 23.871 0 11  THR A CG2 1 ? 
ATOM   73   N  N   . VAL A 1 12  ? 5.077   3.974   -5.400  1.000 17.044 0 12  VAL A N   1 ? 
ATOM   74   C  CA  . VAL A 1 12  ? 3.866   3.257   -5.764  1.000 15.257 0 12  VAL A CA  1 ? 
ATOM   75   C  C   . VAL A 1 12  ? 3.205   2.845   -4.453  1.000 14.697 0 12  VAL A C   1 ? 
ATOM   76   O  O   . VAL A 1 12  ? 3.279   1.688   -4.059  1.000 15.282 0 12  VAL A O   1 ? 
ATOM   77   C  CB  . VAL A 1 12  ? 4.126   2.018   -6.655  1.000 15.778 0 12  VAL A CB  1 ? 
ATOM   78   C  CG1 . VAL A 1 12  ? 2.832   1.513   -7.262  1.000 16.628 0 12  VAL A CG1 1 ? 
ATOM   79   C  CG2 . VAL A 1 12  ? 5.141   2.257   -7.743  1.000 17.244 0 12  VAL A CG2 1 ? 
ATOM   80   N  N   . PRO A 1 13  ? 2.525   3.778   -3.741  1.000 15.169 0 13  PRO A N   1 ? 
ATOM   81   C  CA  . PRO A 1 13  ? 2.148   3.571   -2.340  1.000 14.003 0 13  PRO A CA  1 ? 
ATOM   82   C  C   . PRO A 1 13  ? 0.884   2.714   -2.120  1.000 14.813 0 13  PRO A C   1 ? 
ATOM   83   O  O   . PRO A 1 13  ? 0.569   2.316   -0.999  1.000 15.132 0 13  PRO A O   1 ? 
ATOM   84   C  CB  . PRO A 1 13  ? 1.960   5.021   -1.858  1.000 14.554 0 13  PRO A CB  1 ? 
ATOM   85   C  CG  . PRO A 1 13  ? 1.462   5.774   -3.070  1.000 14.988 0 13  PRO A CG  1 ? 
ATOM   86   C  CD  . PRO A 1 13  ? 2.209   5.144   -4.219  1.000 14.987 0 13  PRO A CD  1 ? 
ATOM   87   N  N   . TYR A 1 14  ? 0.212   2.363   -3.217  1.000 14.456 0 14  TYR A N   1 ? 
ATOM   88   C  CA  . TYR A 1 14  ? -0.963  1.503   -3.217  1.000 16.062 0 14  TYR A CA  1 ? 
ATOM   89   C  C   . TYR A 1 14  ? -0.619  0.033   -3.482  1.000 15.725 0 14  TYR A C   1 ? 
ATOM   90   O  O   . TYR A 1 14  ? -1.475  -0.854  -3.319  1.000 15.931 0 14  TYR A O   1 ? 
ATOM   91   C  CB  . TYR A 1 14  ? -1.982  2.034   -4.238  1.000 16.735 0 14  TYR A CB  1 ? 
ATOM   92   C  CG  . TYR A 1 14  ? -1.399  2.249   -5.606  1.000 16.620 0 14  TYR A CG  1 ? 
ATOM   93   C  CD1 . TYR A 1 14  ? -1.232  1.202   -6.496  1.000 16.231 0 14  TYR A CD1 1 ? 
ATOM   94   C  CD2 . TYR A 1 14  ? -0.908  3.490   -5.972  1.000 16.952 0 14  TYR A CD2 1 ? 
ATOM   95   C  CE1 . TYR A 1 14  ? -0.650  1.404   -7.745  1.000 16.204 0 14  TYR A CE1 1 ? 
ATOM   96   C  CE2 . TYR A 1 14  ? -0.327  3.702   -7.214  1.000 17.236 0 14  TYR A CE2 1 ? 
ATOM   97   C  CZ  . TYR A 1 14  ? -0.219  2.661   -8.112  1.000 16.769 0 14  TYR A CZ  1 ? 
ATOM   98   O  OH  . TYR A 1 14  ? 0.429   2.822   -9.302  1.000 18.423 0 14  TYR A OH  1 ? 
ATOM   99   N  N   . GLN A 1 15  ? 0.638   -0.236  -3.863  1.000 15.652 0 15  GLN A N   1 ? 
ATOM   100  C  CA  . GLN A 1 15  ? 1.098   -1.602  -4.102  1.000 15.426 0 15  GLN A CA  1 ? 
ATOM   101  C  C   . GLN A 1 15  ? 1.187   -2.354  -2.772  1.000 15.404 0 15  GLN A C   1 ? 
ATOM   102  O  O   . GLN A 1 15  ? 1.861   -1.862  -1.842  1.000 15.645 0 15  GLN A O   1 ? 
ATOM   103  C  CB  . GLN A 1 15  ? 2.483   -1.546  -4.749  1.000 14.829 0 15  GLN A CB  1 ? 
ATOM   104  C  CG  . GLN A 1 15  ? 3.122   -2.925  -4.964  1.000 14.481 0 15  GLN A CG  1 ? 
ATOM   105  C  CD  . GLN A 1 15  ? 2.602   -3.609  -6.204  1.000 14.797 0 15  GLN A CD  1 ? 
ATOM   106  O  OE1 . GLN A 1 15  ? 2.602   -3.043  -7.301  1.000 17.095 0 15  GLN A OE1 1 ? 
ATOM   107  N  NE2 . GLN A 1 15  ? 2.159   -4.839  -6.030  1.000 13.527 0 15  GLN A NE2 1 ? 
ATOM   108  N  N   . VAL A 1 16  ? 0.601   -3.573  -2.723  1.000 13.454 0 16  VAL A N   1 ? 
ATOM   109  C  CA  . VAL A 1 16  ? 0.782   -4.445  -1.566  1.000 14.784 0 16  VAL A CA  1 ? 
ATOM   110  C  C   . VAL A 1 16  ? 1.449   -5.753  -1.994  1.000 12.859 0 16  VAL A C   1 ? 
ATOM   111  O  O   . VAL A 1 16  ? 1.404   -6.162  -3.157  1.000 14.888 0 16  VAL A O   1 ? 
ATOM   112  C  CB  . VAL A 1 16  ? -0.531  -4.676  -0.799  1.000 16.221 0 16  VAL A CB  1 ? 
ATOM   113  C  CG1 . VAL A 1 16  ? -1.305  -3.346  -0.615  1.000 17.547 0 16  VAL A CG1 1 ? 
ATOM   114  C  CG2 . VAL A 1 16  ? -1.409  -5.712  -1.482  1.000 17.100 0 16  VAL A CG2 1 ? 
ATOM   115  N  N   . SER A 1 17  ? 2.093   -6.385  -1.015  1.000 12.706 0 17  SER A N   1 ? 
ATOM   116  C  CA  . SER A 1 17  ? 2.573   -7.747  -1.165  1.000 12.310 0 17  SER A CA  1 ? 
ATOM   117  C  C   . SER A 1 17  ? 1.645   -8.660  -0.347  1.000 13.025 0 17  SER A C   1 ? 
ATOM   118  O  O   . SER A 1 17  ? 1.365   -8.374  0.825   1.000 13.913 0 17  SER A O   1 ? 
ATOM   119  C  CB  . SER A 1 17  ? 3.993   -7.868  -0.689  1.000 12.672 0 17  SER A CB  1 ? 
ATOM   120  O  OG  . SER A 1 17  ? 4.345   -9.230  -0.598  1.000 11.581 0 17  SER A OG  1 ? 
ATOM   121  N  N   . LEU A 1 18  ? 1.175   -9.727  -0.976  1.000 10.964 0 18  LEU A N   1 ? 
ATOM   122  C  CA  . LEU A 1 18  ? 0.473   -10.797 -0.276  1.000 12.119 0 18  LEU A CA  1 ? 
ATOM   123  C  C   . LEU A 1 18  ? 1.478   -11.877 0.145   1.000 12.620 0 18  LEU A C   1 ? 
ATOM   124  O  O   . LEU A 1 18  ? 2.166   -12.440 -0.679  1.000 14.297 0 18  LEU A O   1 ? 
ATOM   125  C  CB  . LEU A 1 18  ? -0.591  -11.414 -1.180  1.000 13.279 0 18  LEU A CB  1 ? 
ATOM   126  C  CG  . LEU A 1 18  ? -1.611  -10.441 -1.785  1.000 14.701 0 18  LEU A CG  1 ? 
ATOM   127  C  CD1 . LEU A 1 18  ? -2.743  -11.234 -2.412  1.000 13.638 0 18  LEU A CD1 1 ? 
ATOM   128  C  CD2 . LEU A 1 18  ? -2.125  -9.434  -0.773  1.000 15.933 0 18  LEU A CD2 1 ? 
ATOM   129  N  N   . ASN A 1 19  ? 1.483   -12.181 1.428   1.000 12.736 0 19  ASN A N   1 ? 
ATOM   130  C  CA  . ASN A 1 19  ? 2.472   -13.053 2.027   1.000 13.689 0 19  ASN A CA  1 ? 
ATOM   131  C  C   . ASN A 1 19  ? 1.766   -14.198 2.749   1.000 13.407 0 19  ASN A C   1 ? 
ATOM   132  O  O   . ASN A 1 19  ? 0.895   -13.949 3.575   1.000 14.506 0 19  ASN A O   1 ? 
ATOM   133  C  CB  . ASN A 1 19  ? 3.342   -12.266 2.999   1.000 13.249 0 19  ASN A CB  1 ? 
ATOM   134  C  CG  . ASN A 1 19  ? 4.486   -13.064 3.597   1.000 13.835 0 19  ASN A CG  1 ? 
ATOM   135  O  OD1 . ASN A 1 19  ? 4.281   -13.884 4.476   1.000 15.282 0 19  ASN A OD1 1 ? 
ATOM   136  N  ND2 . ASN A 1 19  ? 5.697   -12.788 3.146   1.000 14.736 0 19  ASN A ND2 1 ? 
ATOM   137  N  N   . SER A 1 20  ? 2.179   -15.426 2.452   1.000 14.229 0 20  SER A N   1 ? 
ATOM   138  C  CA  . SER A 1 20  ? 1.689   -16.609 3.140   1.000 18.220 0 20  SER A CA  1 ? 
ATOM   139  C  C   . SER A 1 20  ? 2.868   -17.416 3.684   1.000 18.632 0 20  SER A C   1 ? 
ATOM   140  O  O   . SER A 1 20  ? 2.908   -18.627 3.546   1.000 23.109 0 20  SER A O   1 ? 
ATOM   141  C  CB  . SER A 1 20  ? 0.857   -17.431 2.181   1.000 19.031 0 20  SER A CB  1 ? 
ATOM   142  O  OG  . SER A 1 20  ? 1.694   -17.911 1.113   1.000 25.010 0 20  SER A OG  1 ? 
ATOM   143  N  N   . GLY A 1 21  ? 3.842   -16.757 4.315   1.000 17.350 0 21  GLY A N   1 ? 
ATOM   144  C  CA  . GLY A 1 21  ? 5.125   -17.366 4.629   1.000 16.928 0 21  GLY A CA  1 ? 
ATOM   145  C  C   . GLY A 1 21  ? 6.239   -16.901 3.687   1.000 16.317 0 21  GLY A C   1 ? 
ATOM   146  O  O   . GLY A 1 21  ? 7.404   -17.182 3.943   1.000 18.554 0 21  GLY A O   1 ? 
ATOM   147  N  N   . TYR A 1 22  ? 5.846   -16.214 2.586   1.000 15.870 0 22  TYR A N   1 ? 
ATOM   148  C  CA  . TYR A 1 22  ? 6.674   -15.850 1.443   1.000 14.609 0 22  TYR A CA  1 ? 
ATOM   149  C  C   . TYR A 1 22  ? 5.781   -14.984 0.552   1.000 14.696 0 22  TYR A C   1 ? 
ATOM   150  O  O   . TYR A 1 22  ? 4.573   -15.104 0.631   1.000 13.012 0 22  TYR A O   1 ? 
ATOM   151  C  CB  . TYR A 1 22  ? 7.213   -17.059 0.664   1.000 15.551 0 22  TYR A CB  1 ? 
ATOM   152  C  CG  . TYR A 1 22  ? 6.159   -18.070 0.275   1.000 17.498 0 22  TYR A CG  1 ? 
ATOM   153  C  CD1 . TYR A 1 22  ? 5.843   -19.110 1.131   1.000 20.757 0 22  TYR A CD1 1 ? 
ATOM   154  C  CD2 . TYR A 1 22  ? 5.401   -17.929 -0.881  1.000 19.546 0 22  TYR A CD2 1 ? 
ATOM   155  C  CE1 . TYR A 1 22  ? 4.844   -20.019 0.831   1.000 21.949 0 22  TYR A CE1 1 ? 
ATOM   156  C  CE2 . TYR A 1 22  ? 4.386   -18.822 -1.183  1.000 22.794 0 22  TYR A CE2 1 ? 
ATOM   157  C  CZ  . TYR A 1 22  ? 4.110   -19.871 -0.329  1.000 23.518 0 22  TYR A CZ  1 ? 
ATOM   158  O  OH  . TYR A 1 22  ? 3.101   -20.770 -0.604  1.000 28.406 0 22  TYR A OH  1 ? 
ATOM   159  N  N   . HIS A 1 23  ? 6.360   -14.076 -0.228  1.000 13.550 0 23  HIS A N   1 ? 
ATOM   160  C  CA  . HIS A 1 23  ? 5.604   -13.306 -1.200  1.000 14.182 0 23  HIS A CA  1 ? 
ATOM   161  C  C   . HIS A 1 23  ? 5.118   -14.225 -2.321  1.000 13.975 0 23  HIS A C   1 ? 
ATOM   162  O  O   . HIS A 1 23  ? 5.879   -15.064 -2.830  1.000 12.687 0 23  HIS A O   1 ? 
ATOM   163  C  CB  . HIS A 1 23  ? 6.464   -12.151 -1.746  1.000 14.365 0 23  HIS A CB  1 ? 
ATOM   164  C  CG  . HIS A 1 23  ? 5.922   -11.533 -2.992  1.000 14.109 0 23  HIS A CG  1 ? 
ATOM   165  N  ND1 . HIS A 1 23  ? 5.003   -10.523 -2.986  1.000 13.459 0 23  HIS A ND1 1 ? 
ATOM   166  C  CD2 . HIS A 1 23  ? 6.076   -11.954 -4.282  1.000 13.013 0 23  HIS A CD2 1 ? 
ATOM   167  C  CE1 . HIS A 1 23  ? 4.672   -10.252 -4.263  1.000 13.350 0 23  HIS A CE1 1 ? 
ATOM   168  N  NE2 . HIS A 1 23  ? 5.264   -11.178 -5.069  1.000 13.901 0 23  HIS A NE2 1 ? 
ATOM   169  N  N   . PHE A 1 24  ? 3.833   -14.099 -2.686  1.000 14.328 0 24  PHE A N   1 ? 
ATOM   170  C  CA  . PHE A 1 24  ? 3.256   -14.956 -3.715  1.000 13.695 0 24  PHE A CA  1 ? 
ATOM   171  C  C   . PHE A 1 24  ? 2.382   -14.163 -4.698  1.000 12.473 0 24  PHE A C   1 ? 
ATOM   172  O  O   . PHE A 1 24  ? 2.228   -14.601 -5.817  1.000 14.669 0 24  PHE A O   1 ? 
ATOM   173  C  CB  . PHE A 1 24  ? 2.457   -16.113 -3.102  1.000 13.893 0 24  PHE A CB  1 ? 
ATOM   174  C  CG  . PHE A 1 24  ? 1.168   -15.721 -2.433  1.000 14.246 0 24  PHE A CG  1 ? 
ATOM   175  C  CD1 . PHE A 1 24  ? 1.129   -15.432 -1.084  1.000 14.593 0 24  PHE A CD1 1 ? 
ATOM   176  C  CD2 . PHE A 1 24  ? -0.047  -15.755 -3.118  1.000 14.719 0 24  PHE A CD2 1 ? 
ATOM   177  C  CE1 . PHE A 1 24  ? -0.071  -15.093 -0.468  1.000 15.654 0 24  PHE A CE1 1 ? 
ATOM   178  C  CE2 . PHE A 1 24  ? -1.235  -15.425 -2.497  1.000 14.519 0 24  PHE A CE2 1 ? 
ATOM   179  C  CZ  . PHE A 1 24  ? -1.249  -15.059 -1.189  1.000 15.684 0 24  PHE A CZ  1 ? 
ATOM   180  N  N   . CYS A 1 25  ? 1.909   -12.980 -4.346  1.000 13.880 0 25  CYS A N   1 ? 
ATOM   181  C  CA  . CYS A 1 25  ? 1.097   -12.199 -5.261  1.000 14.017 0 25  CYS A CA  1 ? 
ATOM   182  C  C   . CYS A 1 25  ? 1.165   -10.732 -4.861  1.000 15.043 0 25  CYS A C   1 ? 
ATOM   183  O  O   . CYS A 1 25  ? 1.537   -10.419 -3.736  1.000 13.895 0 25  CYS A O   1 ? 
ATOM   184  C  CB  . CYS A 1 25  ? -0.361  -12.666 -5.314  1.000 12.735 0 25  CYS A CB  1 ? 
ATOM   185  S  SG  . CYS A 1 25  ? -0.636  -14.015 -6.472  1.000 13.761 0 25  CYS A SG  1 ? 
ATOM   186  N  N   . GLY A 1 26  ? 0.863   -9.852  -5.834  1.000 14.854 0 26  GLY A N   1 ? 
ATOM   187  C  CA  . GLY A 1 26  ? 0.586   -8.452  -5.553  1.000 13.296 0 26  GLY A CA  1 ? 
ATOM   188  C  C   . GLY A 1 26  ? -0.892  -8.140  -5.296  1.000 13.238 0 26  GLY A C   1 ? 
ATOM   189  O  O   . GLY A 1 26  ? -1.788  -9.002  -5.357  1.000 12.575 0 26  GLY A O   1 ? 
ATOM   190  N  N   . GLY A 1 27  ? -1.137  -6.874  -4.945  1.000 12.085 0 27  GLY A N   1 ? 
ATOM   191  C  CA  . GLY A 1 27  ? -2.487  -6.369  -4.761  1.000 12.450 0 27  GLY A CA  1 ? 
ATOM   192  C  C   . GLY A 1 27  ? -2.451  -4.868  -4.769  1.000 11.670 0 27  GLY A C   1 ? 
ATOM   193  O  O   . GLY A 1 27  ? -1.341  -4.364  -4.847  1.000 13.524 0 27  GLY A O   1 ? 
ATOM   194  N  N   . SER A 1 28  ? -3.640  -4.238  -4.732  1.000 13.501 0 28  SER A N   1 ? 
ATOM   195  C  CA  . SER A 1 28  ? -3.791  -2.793  -4.724  1.000 12.833 0 28  SER A CA  1 ? 
ATOM   196  C  C   . SER A 1 28  ? -4.704  -2.383  -3.574  1.000 13.524 0 28  SER A C   1 ? 
ATOM   197  O  O   . SER A 1 28  ? -5.775  -2.948  -3.416  1.000 14.533 0 28  SER A O   1 ? 
ATOM   198  C  CB  . SER A 1 28  ? -4.395  -2.285  -6.022  1.000 13.996 0 28  SER A CB  1 ? 
ATOM   199  O  OG  . SER A 1 28  ? -3.639  -2.742  -7.135  1.000 16.991 0 28  SER A OG  1 ? 
ATOM   200  N  N   . LEU A 1 29  ? -4.284  -1.369  -2.822  1.000 12.836 0 29  LEU A N   1 ? 
ATOM   201  C  CA  . LEU A 1 29  ? -5.060  -0.869  -1.700  1.000 14.791 0 29  LEU A CA  1 ? 
ATOM   202  C  C   . LEU A 1 29  ? -6.028  0.162   -2.282  1.000 13.565 0 29  LEU A C   1 ? 
ATOM   203  O  O   . LEU A 1 29  ? -5.570  1.136   -2.868  1.000 14.291 0 29  LEU A O   1 ? 
ATOM   204  C  CB  . LEU A 1 29  ? -4.124  -0.211  -0.687  1.000 17.006 0 29  LEU A CB  1 ? 
ATOM   205  C  CG  . LEU A 1 29  ? -4.752  0.277   0.621   1.000 18.787 0 29  LEU A CG  1 ? 
ATOM   206  C  CD1 . LEU A 1 29  ? -5.108  -0.874  1.533   1.000 19.398 0 29  LEU A CD1 1 ? 
ATOM   207  C  CD2 . LEU A 1 29  ? -3.808  1.246   1.324   1.000 20.918 0 29  LEU A CD2 1 ? 
ATOM   208  N  N   . ILE A 1 30  ? -7.326  -0.040  -2.087  1.000 14.727 0 30  ILE A N   1 ? 
ATOM   209  C  CA  . ILE A 1 30  ? -8.331  0.852   -2.665  1.000 16.917 0 30  ILE A CA  1 ? 
ATOM   210  C  C   . ILE A 1 30  ? -9.000  1.713   -1.591  1.000 17.679 0 30  ILE A C   1 ? 
ATOM   211  O  O   . ILE A 1 30  ? -9.671  2.696   -1.924  1.000 18.608 0 30  ILE A O   1 ? 
ATOM   212  C  CB  . ILE A 1 30  ? -9.365  0.079   -3.506  1.000 18.349 0 30  ILE A CB  1 ? 
ATOM   213  C  CG1 . ILE A 1 30  ? -10.064 -1.022  -2.702  1.000 20.827 0 30  ILE A CG1 1 ? 
ATOM   214  C  CG2 . ILE A 1 30  ? -8.730  -0.466  -4.778  1.000 18.733 0 30  ILE A CG2 1 ? 
ATOM   215  C  CD1 . ILE A 1 30  ? -11.361 -1.508  -3.283  1.000 22.654 0 30  ILE A CD1 1 ? 
ATOM   216  N  N   . ASN A 1 31  ? -8.853  1.342   -0.312  1.000 18.853 0 31  ASN A N   1 ? 
ATOM   217  C  CA  . ASN A 1 31  ? -9.194  2.233   0.793   1.000 20.373 0 31  ASN A CA  1 ? 
ATOM   218  C  C   . ASN A 1 31  ? -8.481  1.698   2.028   1.000 19.508 0 31  ASN A C   1 ? 
ATOM   219  O  O   . ASN A 1 31  ? -7.685  0.780   1.937   1.000 20.973 0 31  ASN A O   1 ? 
ATOM   220  C  CB  . ASN A 1 31  ? -10.711 2.413   0.937   1.000 21.537 0 31  ASN A CB  1 ? 
ATOM   221  C  CG  . ASN A 1 31  ? -11.409 1.113   1.260   1.000 21.820 0 31  ASN A CG  1 ? 
ATOM   222  O  OD1 . ASN A 1 31  ? -10.940 0.327   2.084   1.000 21.595 0 31  ASN A OD1 1 ? 
ATOM   223  N  ND2 . ASN A 1 31  ? -12.529 0.877   0.608   1.000 25.499 0 31  ASN A ND2 1 ? 
ATOM   224  N  N   . SER A 1 32  ? -8.776  2.219   3.216   1.000 20.793 0 32  SER A N   1 ? 
ATOM   225  C  CA  . SER A 1 32  ? -7.978  1.876   4.375   1.000 21.684 0 32  SER A CA  1 ? 
ATOM   226  C  C   . SER A 1 32  ? -8.146  0.418   4.791   1.000 20.803 0 32  SER A C   1 ? 
ATOM   227  O  O   . SER A 1 32  ? -7.276  -0.105  5.501   1.000 22.299 0 32  SER A O   1 ? 
ATOM   228  C  CB  . SER A 1 32  ? -8.273  2.822   5.535   1.000 22.438 0 32  SER A CB  1 ? 
ATOM   229  O  OG  . SER A 1 32  ? -9.554  2.534   6.028   1.000 23.157 0 32  SER A OG  1 ? 
ATOM   230  N  N   . GLN A 1 33  ? -9.222  -0.257  4.349   1.000 20.125 0 33  GLN A N   1 ? 
ATOM   231  C  CA  . GLN A 1 33  ? -9.509  -1.590  4.866   1.000 21.084 0 33  GLN A CA  1 ? 
ATOM   232  C  C   . GLN A 1 33  ? -9.569  -2.666  3.777   1.000 18.286 0 33  GLN A C   1 ? 
ATOM   233  O  O   . GLN A 1 33  ? -9.715  -3.837  4.090   1.000 17.045 0 33  GLN A O   1 ? 
ATOM   234  C  CB  . GLN A 1 33  ? -10.811 -1.582  5.672   1.000 24.959 0 33  GLN A CB  1 ? 
ATOM   235  C  CG  . GLN A 1 33  ? -10.598 -1.095  7.106   1.000 30.756 0 33  GLN A CG  1 ? 
ATOM   236  C  CD  . GLN A 1 33  ? -11.458 -1.857  8.080   1.000 33.965 0 33  GLN A CD  1 ? 
ATOM   237  O  OE1 . GLN A 1 33  ? -12.665 -1.639  8.137   1.000 40.041 0 33  GLN A OE1 1 ? 
ATOM   238  N  NE2 . GLN A 1 33  ? -10.856 -2.807  8.789   1.000 36.489 0 33  GLN A NE2 1 ? 
ATOM   239  N  N   . TRP A 1 34  ? -9.402  -2.287  2.505   1.000 15.869 0 34  TRP A N   1 ? 
ATOM   240  C  CA  . TRP A 1 34  ? -9.640  -3.234  1.431   1.000 15.075 0 34  TRP A CA  1 ? 
ATOM   241  C  C   . TRP A 1 34  ? -8.520  -3.235  0.395   1.000 14.308 0 34  TRP A C   1 ? 
ATOM   242  O  O   . TRP A 1 34  ? -8.081  -2.184  -0.085  1.000 14.860 0 34  TRP A O   1 ? 
ATOM   243  C  CB  . TRP A 1 34  ? -10.997 -2.956  0.761   1.000 15.756 0 34  TRP A CB  1 ? 
ATOM   244  C  CG  . TRP A 1 34  ? -12.197 -3.267  1.604   1.000 15.535 0 34  TRP A CG  1 ? 
ATOM   245  C  CD1 . TRP A 1 34  ? -12.831 -2.454  2.499   1.000 15.174 0 34  TRP A CD1 1 ? 
ATOM   246  C  CD2 . TRP A 1 34  ? -12.902 -4.526  1.650   1.000 15.816 0 34  TRP A CD2 1 ? 
ATOM   247  N  NE1 . TRP A 1 34  ? -13.929 -3.085  3.020   1.000 15.448 0 34  TRP A NE1 1 ? 
ATOM   248  C  CE2 . TRP A 1 34  ? -13.965 -4.379  2.566   1.000 15.289 0 34  TRP A CE2 1 ? 
ATOM   249  C  CE3 . TRP A 1 34  ? -12.749 -5.757  0.998   1.000 15.602 0 34  TRP A CE3 1 ? 
ATOM   250  C  CZ2 . TRP A 1 34  ? -14.876 -5.405  2.815   1.000 15.748 0 34  TRP A CZ2 1 ? 
ATOM   251  C  CZ3 . TRP A 1 34  ? -13.662 -6.766  1.236   1.000 16.194 0 34  TRP A CZ3 1 ? 
ATOM   252  C  CH2 . TRP A 1 34  ? -14.708 -6.589  2.144   1.000 16.702 0 34  TRP A CH2 1 ? 
ATOM   253  N  N   . VAL A 1 35  ? -8.226  -4.460  -0.074  1.000 14.656 0 35  VAL A N   1 ? 
ATOM   254  C  CA  . VAL A 1 35  ? -7.252  -4.719  -1.126  1.000 14.453 0 35  VAL A CA  1 ? 
ATOM   255  C  C   . VAL A 1 35  ? -7.923  -5.439  -2.288  1.000 13.466 0 35  VAL A C   1 ? 
ATOM   256  O  O   . VAL A 1 35  ? -8.743  -6.342  -2.072  1.000 13.071 0 35  VAL A O   1 ? 
ATOM   257  C  CB  . VAL A 1 35  ? -6.103  -5.560  -0.553  1.000 14.679 0 35  VAL A CB  1 ? 
ATOM   258  C  CG1 . VAL A 1 35  ? -5.228  -6.139  -1.661  1.000 15.074 0 35  VAL A CG1 1 ? 
ATOM   259  C  CG2 . VAL A 1 35  ? -5.311  -4.733  0.451   1.000 16.193 0 35  VAL A CG2 1 ? 
ATOM   260  N  N   . VAL A 1 36  ? -7.566  -5.022  -3.515  1.000 12.117 0 36  VAL A N   1 ? 
ATOM   261  C  CA  . VAL A 1 36  ? -8.027  -5.711  -4.707  1.000 14.352 0 36  VAL A CA  1 ? 
ATOM   262  C  C   . VAL A 1 36  ? -6.847  -6.562  -5.207  1.000 12.624 0 36  VAL A C   1 ? 
ATOM   263  O  O   . VAL A 1 36  ? -5.713  -6.103  -5.272  1.000 11.403 0 36  VAL A O   1 ? 
ATOM   264  C  CB  . VAL A 1 36  ? -8.469  -4.747  -5.821  1.000 15.584 0 36  VAL A CB  1 ? 
ATOM   265  C  CG1 . VAL A 1 36  ? -8.712  -5.526  -7.105  1.000 17.319 0 36  VAL A CG1 1 ? 
ATOM   266  C  CG2 . VAL A 1 36  ? -9.677  -3.935  -5.450  1.000 18.616 0 36  VAL A CG2 1 ? 
ATOM   267  N  N   . SER A 1 37  ? -7.115  -7.821  -5.553  1.000 11.267 0 37  SER A N   1 ? 
ATOM   268  C  CA  . SER A 1 37  ? -6.101  -8.683  -6.156  1.000 11.593 0 37  SER A CA  1 ? 
ATOM   269  C  C   . SER A 1 37  ? -6.775  -9.586  -7.200  1.000 11.295 0 37  SER A C   1 ? 
ATOM   270  O  O   . SER A 1 37  ? -7.925  -9.364  -7.565  1.000 11.249 0 37  SER A O   1 ? 
ATOM   271  C  CB  . SER A 1 37  ? -5.336  -9.497  -5.077  1.000 10.139 0 37  SER A CB  1 ? 
ATOM   272  O  OG  . SER A 1 37  ? -4.217  -10.225 -5.560  1.000 10.095 0 37  SER A OG  1 ? 
ATOM   273  N  N   . ALA A 1 38  ? -6.063  -10.649 -7.602  1.000 11.106 0 38  ALA A N   1 ? 
ATOM   274  C  CA  . ALA A 1 38  ? -6.542  -11.629 -8.562  1.000 10.855 0 38  ALA A CA  1 ? 
ATOM   275  C  C   . ALA A 1 38  ? -7.147  -12.788 -7.778  1.000 10.816 0 38  ALA A C   1 ? 
ATOM   276  O  O   . ALA A 1 38  ? -6.522  -13.256 -6.824  1.000 14.598 0 38  ALA A O   1 ? 
ATOM   277  C  CB  . ALA A 1 38  ? -5.441  -12.138 -9.444  1.000 10.903 0 38  ALA A CB  1 ? 
ATOM   278  N  N   . ALA A 1 39  ? -8.260  -13.316 -8.288  1.000 11.708 0 39  ALA A N   1 ? 
ATOM   279  C  CA  . ALA A 1 39  ? -8.874  -14.498 -7.723  1.000 11.798 0 39  ALA A CA  1 ? 
ATOM   280  C  C   . ALA A 1 39  ? -7.895  -15.660 -7.778  1.000 12.642 0 39  ALA A C   1 ? 
ATOM   281  O  O   . ALA A 1 39  ? -7.921  -16.480 -6.883  1.000 12.148 0 39  ALA A O   1 ? 
ATOM   282  C  CB  . ALA A 1 39  ? -10.173 -14.820 -8.433  1.000 12.014 0 39  ALA A CB  1 ? 
ATOM   283  N  N   . HIS A 1 40  ? -7.097  -15.789 -8.844  1.000 12.429 0 40  HIS A N   1 ? 
ATOM   284  C  CA  . HIS A 1 40  ? -6.152  -16.919 -8.918  1.000 12.737 0 40  HIS A CA  1 ? 
ATOM   285  C  C   . HIS A 1 40  ? -5.067  -16.879 -7.837  1.000 13.194 0 40  HIS A C   1 ? 
ATOM   286  O  O   . HIS A 1 40  ? -4.355  -17.878 -7.658  1.000 14.856 0 40  HIS A O   1 ? 
ATOM   287  C  CB  . HIS A 1 40  ? -5.608  -17.085 -10.345 1.000 12.567 0 40  HIS A CB  1 ? 
ATOM   288  C  CG  . HIS A 1 40  ? -4.414  -16.274 -10.740 1.000 12.961 0 40  HIS A CG  1 ? 
ATOM   289  N  ND1 . HIS A 1 40  ? -4.506  -15.145 -11.534 1.000 12.182 0 40  HIS A ND1 1 ? 
ATOM   290  C  CD2 . HIS A 1 40  ? -3.088  -16.482 -10.515 1.000 13.224 0 40  HIS A CD2 1 ? 
ATOM   291  C  CE1 . HIS A 1 40  ? -3.279  -14.633 -11.708 1.000 13.886 0 40  HIS A CE1 1 ? 
ATOM   292  N  NE2 . HIS A 1 40  ? -2.380  -15.458 -11.095 1.000 13.403 0 40  HIS A NE2 1 ? 
ATOM   293  N  N   . CYS A 1 41  ? -4.989  -15.778 -7.064  1.000 13.838 0 41  CYS A N   1 ? 
ATOM   294  C  CA  . CYS A 1 41  ? -4.057  -15.603 -5.961  1.000 14.734 0 41  CYS A CA  1 ? 
ATOM   295  C  C   . CYS A 1 41  ? -4.694  -16.071 -4.663  1.000 15.382 0 41  CYS A C   1 ? 
ATOM   296  O  O   . CYS A 1 41  ? -4.060  -16.001 -3.616  1.000 17.605 0 41  CYS A O   1 ? 
ATOM   297  C  CB  . CYS A 1 41  ? -3.639  -14.149 -5.795  1.000 13.209 0 41  CYS A CB  1 ? 
ATOM   298  S  SG  . CYS A 1 41  ? -2.591  -13.555 -7.143  1.000 15.867 0 41  CYS A SG  1 ? 
ATOM   299  N  N   . TYR A 1 42  ? -5.925  -16.569 -4.713  1.000 16.900 0 42  TYR A N   1 ? 
ATOM   300  C  CA  . TYR A 1 42  ? -6.585  -16.935 -3.480  1.000 15.558 0 42  TYR A CA  1 ? 
ATOM   301  C  C   . TYR A 1 42  ? -5.783  -18.005 -2.737  1.000 16.007 0 42  TYR A C   1 ? 
ATOM   302  O  O   . TYR A 1 42  ? -5.419  -19.032 -3.304  1.000 15.378 0 42  TYR A O   1 ? 
ATOM   303  C  CB  . TYR A 1 42  ? -7.988  -17.495 -3.724  1.000 16.730 0 42  TYR A CB  1 ? 
ATOM   304  C  CG  . TYR A 1 42  ? -8.578  -17.995 -2.431  1.000 16.441 0 42  TYR A CG  1 ? 
ATOM   305  C  CD1 . TYR A 1 42  ? -9.027  -17.097 -1.484  1.000 19.317 0 42  TYR A CD1 1 ? 
ATOM   306  C  CD2 . TYR A 1 42  ? -8.528  -19.334 -2.086  1.000 18.530 0 42  TYR A CD2 1 ? 
ATOM   307  C  CE1 . TYR A 1 42  ? -9.481  -17.528 -0.250  1.000 21.209 0 42  TYR A CE1 1 ? 
ATOM   308  C  CE2 . TYR A 1 42  ? -9.039  -19.786 -0.877  1.000 20.528 0 42  TYR A CE2 1 ? 
ATOM   309  C  CZ  . TYR A 1 42  ? -9.484  -18.871 0.053   1.000 21.582 0 42  TYR A CZ  1 ? 
ATOM   310  O  OH  . TYR A 1 42  ? -9.940  -19.248 1.293   1.000 28.325 0 42  TYR A OH  1 ? 
ATOM   311  N  N   . LYS A 1 43  ? -5.680  -17.804 -1.432  1.000 17.240 0 43  LYS A N   1 ? 
ATOM   312  C  CA  . LYS A 1 43  ? -5.453  -18.890 -0.495  1.000 21.442 0 43  LYS A CA  1 ? 
ATOM   313  C  C   . LYS A 1 43  ? -5.827  -18.398 0.895   1.000 21.021 0 43  LYS A C   1 ? 
ATOM   314  O  O   . LYS A 1 43  ? -6.112  -17.229 1.087   1.000 19.742 0 43  LYS A O   1 ? 
ATOM   315  C  CB  . LYS A 1 43  ? -4.018  -19.406 -0.571  1.000 26.867 0 43  LYS A CB  1 ? 
ATOM   316  C  CG  . LYS A 1 43  ? -2.948  -18.352 -0.390  1.000 27.201 0 43  LYS A CG  1 ? 
ATOM   317  C  CD  . LYS A 1 43  ? -1.563  -18.933 -0.219  1.000 30.369 0 43  LYS A CD  1 ? 
ATOM   318  C  CE  . LYS A 1 43  ? -0.824  -19.107 -1.524  1.000 32.244 0 43  LYS A CE  1 ? 
ATOM   319  N  NZ  . LYS A 1 43  ? 0.581   -19.502 -1.269  1.000 37.954 0 43  LYS A NZ  1 ? 
ATOM   320  N  N   . SER A 1 44  ? -5.945  -19.335 1.837   1.000 24.775 0 44  SER A N   1 ? 
ATOM   321  C  CA  . SER A 1 44  ? -6.294  -18.985 3.205   1.000 26.820 0 44  SER A CA  1 ? 
ATOM   322  C  C   . SER A 1 44  ? -5.020  -18.566 3.943   1.000 26.509 0 44  SER A C   1 ? 
ATOM   323  O  O   . SER A 1 44  ? -3.927  -19.011 3.602   1.000 30.145 0 44  SER A O   1 ? 
ATOM   324  C  CB  . SER A 1 44  ? -6.982  -20.151 3.862   1.000 27.924 0 44  SER A CB  1 ? 
ATOM   325  O  OG  . SER A 1 44  ? -6.081  -21.220 3.978   1.000 30.536 0 44  SER A OG  1 ? 
ATOM   326  N  N   . GLY A 1 45  ? -5.152  -17.671 4.923   1.000 29.363 0 45  GLY A N   1 ? 
ATOM   327  C  CA  . GLY A 1 45  ? -4.031  -17.293 5.768   1.000 26.890 0 45  GLY A CA  1 ? 
ATOM   328  C  C   . GLY A 1 45  ? -3.122  -16.277 5.079   1.000 27.583 0 45  GLY A C   1 ? 
ATOM   329  O  O   . GLY A 1 45  ? -1.913  -16.467 5.008   1.000 32.977 0 45  GLY A O   1 ? 
ATOM   330  N  N   . ILE A 1 46  ? -3.719  -15.221 4.536   1.000 22.627 0 46  ILE A N   1 ? 
ATOM   331  C  CA  . ILE A 1 46  ? -2.972  -14.155 3.878   1.000 21.321 0 46  ILE A CA  1 ? 
ATOM   332  C  C   . ILE A 1 46  ? -2.622  -13.056 4.886   1.000 19.959 0 46  ILE A C   1 ? 
ATOM   333  O  O   . ILE A 1 46  ? -3.493  -12.565 5.617   1.000 20.927 0 46  ILE A O   1 ? 
ATOM   334  C  CB  . ILE A 1 46  ? -3.799  -13.609 2.695   1.000 20.356 0 46  ILE A CB  1 ? 
ATOM   335  C  CG1 . ILE A 1 46  ? -4.011  -14.695 1.637   1.000 22.009 0 46  ILE A CG1 1 ? 
ATOM   336  C  CG2 . ILE A 1 46  ? -3.167  -12.344 2.119   1.000 19.445 0 46  ILE A CG2 1 ? 
ATOM   337  C  CD1 . ILE A 1 46  ? -4.750  -14.233 0.399   1.000 22.709 0 46  ILE A CD1 1 ? 
ATOM   338  N  N   . GLN A 1 47  ? -1.362  -12.610 4.869   1.000 16.034 0 47  GLN A N   1 ? 
ATOM   339  C  CA  . GLN A 1 47  ? -0.979  -11.355 5.503   1.000 16.729 0 47  GLN A CA  1 ? 
ATOM   340  C  C   . GLN A 1 47  ? -0.722  -10.307 4.422   1.000 16.066 0 47  GLN A C   1 ? 
ATOM   341  O  O   . GLN A 1 47  ? 0.059   -10.541 3.503   1.000 16.604 0 47  GLN A O   1 ? 
ATOM   342  C  CB  . GLN A 1 47  ? 0.277   -11.541 6.362   1.000 18.621 0 47  GLN A CB  1 ? 
ATOM   343  C  CG  . GLN A 1 47  ? 0.635   -10.326 7.197   1.000 20.108 0 47  GLN A CG  1 ? 
ATOM   344  C  CD  . GLN A 1 47  ? 1.950   -10.512 7.913   1.000 23.812 0 47  GLN A CD  1 ? 
ATOM   345  O  OE1 . GLN A 1 47  ? 3.008   -10.567 7.298   1.000 22.358 0 47  GLN A OE1 1 ? 
ATOM   346  N  NE2 . GLN A 1 47  ? 1.886   -10.579 9.230   1.000 22.783 0 47  GLN A NE2 1 ? 
ATOM   347  N  N   . VAL A 1 48  ? -1.322  -9.110  4.558   1.000 15.376 0 48  VAL A N   1 ? 
ATOM   348  C  CA  . VAL A 1 48  ? -1.097  -8.058  3.594   1.000 14.841 0 48  VAL A CA  1 ? 
ATOM   349  C  C   . VAL A 1 48  ? 0.084   -7.231  4.099   1.000 14.589 0 48  VAL A C   1 ? 
ATOM   350  O  O   . VAL A 1 48  ? 0.132   -6.912  5.267   1.000 15.728 0 48  VAL A O   1 ? 
ATOM   351  C  CB  . VAL A 1 48  ? -2.392  -7.237  3.419   1.000 15.740 0 48  VAL A CB  1 ? 
ATOM   352  C  CG1 . VAL A 1 48  ? -2.212  -6.074  2.465   1.000 17.767 0 48  VAL A CG1 1 ? 
ATOM   353  C  CG2 . VAL A 1 48  ? -3.528  -8.166  2.980   1.000 15.727 0 48  VAL A CG2 1 ? 
ATOM   354  N  N   . ARG A 1 49  ? 0.997   -6.863  3.199   1.000 14.917 0 49  ARG A N   1 ? 
ATOM   355  C  CA  . ARG A 1 49  ? 2.165   -6.051  3.539   1.000 15.010 0 49  ARG A CA  1 ? 
ATOM   356  C  C   . ARG A 1 49  ? 2.182   -4.788  2.699   1.000 15.753 0 49  ARG A C   1 ? 
ATOM   357  O  O   . ARG A 1 49  ? 2.275   -4.865  1.471   1.000 14.118 0 49  ARG A O   1 ? 
ATOM   358  C  CB  . ARG A 1 49  ? 3.426   -6.891  3.368   1.000 15.186 0 49  ARG A CB  1 ? 
ATOM   359  C  CG  . ARG A 1 49  ? 3.452   -8.104  4.281   1.000 14.907 0 49  ARG A CG  1 ? 
ATOM   360  C  CD  . ARG A 1 49  ? 4.789   -8.810  4.348   1.000 14.917 0 49  ARG A CD  1 ? 
ATOM   361  N  NE  . ARG A 1 49  ? 4.851   -9.751  5.456   1.000 15.325 0 49  ARG A NE  1 ? 
ATOM   362  C  CZ  . ARG A 1 49  ? 5.977   -10.183 6.010   1.000 16.763 0 49  ARG A CZ  1 ? 
ATOM   363  N  NH1 . ARG A 1 49  ? 7.142   -9.904  5.445   1.000 15.615 0 49  ARG A NH1 1 ? 
ATOM   364  N  NH2 . ARG A 1 49  ? 5.919   -10.887 7.131   1.000 17.648 0 49  ARG A NH2 1 ? 
ATOM   365  N  N   . LEU A 1 50  ? 2.050   -3.640  3.399   1.000 15.508 0 50  LEU A N   1 ? 
ATOM   366  C  CA  . LEU A 1 50  ? 1.918   -2.318  2.825   1.000 16.845 0 50  LEU A CA  1 ? 
ATOM   367  C  C   . LEU A 1 50  ? 3.196   -1.529  3.108   1.000 16.704 0 50  LEU A C   1 ? 
ATOM   368  O  O   . LEU A 1 50  ? 3.910   -1.856  4.069   1.000 16.372 0 50  LEU A O   1 ? 
ATOM   369  C  CB  . LEU A 1 50  ? 0.710   -1.653  3.491   1.000 17.326 0 50  LEU A CB  1 ? 
ATOM   370  C  CG  . LEU A 1 50  ? -0.605  -2.425  3.370   1.000 19.558 0 50  LEU A CG  1 ? 
ATOM   371  C  CD1 . LEU A 1 50  ? -0.928  -3.211  4.628   1.000 22.914 0 50  LEU A CD1 1 ? 
ATOM   372  C  CD2 . LEU A 1 50  ? -1.732  -1.495  3.029   1.000 26.611 0 50  LEU A CD2 1 ? 
ATOM   373  N  N   . GLY A 1 51  ? 3.471   -0.530  2.254   1.000 15.939 0 51  GLY A N   1 ? 
ATOM   374  C  CA  . GLY A 1 51  ? 4.616   0.356   2.403   1.000 16.611 0 51  GLY A CA  1 ? 
ATOM   375  C  C   . GLY A 1 51  ? 5.959   -0.346  2.172   1.000 17.168 0 51  GLY A C   1 ? 
ATOM   376  O  O   . GLY A 1 51  ? 6.974   0.090   2.694   1.000 20.454 0 51  GLY A O   1 ? 
ATOM   377  N  N   . GLU A 1 52  ? 5.937   -1.441  1.409   1.000 17.369 0 52  GLU A N   1 ? 
ATOM   378  C  CA  . GLU A 1 52  ? 7.134   -2.207  1.078   1.000 17.134 0 52  GLU A CA  1 ? 
ATOM   379  C  C   . GLU A 1 52  ? 7.895   -1.609  -0.114  1.000 17.502 0 52  GLU A C   1 ? 
ATOM   380  O  O   . GLU A 1 52  ? 7.287   -1.227  -1.112  1.000 17.086 0 52  GLU A O   1 ? 
ATOM   381  C  CB  . GLU A 1 52  ? 6.744   -3.629  0.698   1.000 16.127 0 52  GLU A CB  1 ? 
ATOM   382  C  CG  . GLU A 1 52  ? 6.325   -4.495  1.857   1.000 16.942 0 52  GLU A CG  1 ? 
ATOM   383  C  CD  . GLU A 1 52  ? 7.499   -5.024  2.662   1.000 17.705 0 52  GLU A CD  1 ? 
ATOM   384  O  OE1 . GLU A 1 52  ? 8.584   -4.440  2.578   1.000 18.755 0 52  GLU A OE1 1 ? 
ATOM   385  O  OE2 . GLU A 1 52  ? 7.336   -6.046  3.320   1.000 19.527 0 52  GLU A OE2 1 ? 
ATOM   386  N  N   . ASP A 1 53  ? 9.231   -1.655  -0.026  1.000 17.182 0 53  ASP A N   1 ? 
ATOM   387  C  CA  . ASP A 1 53  ? 10.099  -1.567  -1.185  1.000 19.253 0 53  ASP A CA  1 ? 
ATOM   388  C  C   . ASP A 1 53  ? 10.894  -2.869  -1.288  1.000 17.690 0 53  ASP A C   1 ? 
ATOM   389  O  O   . ASP A 1 53  ? 10.627  -3.676  -2.156  1.000 19.425 0 53  ASP A O   1 ? 
ATOM   390  C  CB  . ASP A 1 53  ? 10.953  -0.295  -1.169  1.000 20.276 0 53  ASP A CB  1 ? 
ATOM   391  C  CG  . ASP A 1 53  ? 11.666  -0.074  -2.491  1.000 22.238 0 53  ASP A CG  1 ? 
ATOM   392  O  OD1 . ASP A 1 53  ? 11.009  -0.240  -3.550  1.000 21.266 0 53  ASP A OD1 1 ? 
ATOM   393  O  OD2 . ASP A 1 53  ? 12.872  0.217   -2.465  1.000 25.824 0 53  ASP A OD2 1 ? 
ATOM   394  N  N   . ASN A 1 54  ? 11.862  -3.092  -0.403  1.000 18.760 0 54  ASN A N   1 ? 
ATOM   395  C  CA  . ASN A 1 54  ? 12.590  -4.357  -0.385  1.000 16.545 0 54  ASN A CA  1 ? 
ATOM   396  C  C   . ASN A 1 54  ? 11.792  -5.349  0.465   1.000 16.042 0 54  ASN A C   1 ? 
ATOM   397  O  O   . ASN A 1 54  ? 11.629  -5.138  1.662   1.000 15.776 0 54  ASN A O   1 ? 
ATOM   398  C  CB  . ASN A 1 54  ? 13.976  -4.158  0.215   1.000 18.118 0 54  ASN A CB  1 ? 
ATOM   399  C  CG  . ASN A 1 54  ? 14.867  -5.368  0.080   1.000 18.823 0 54  ASN A CG  1 ? 
ATOM   400  O  OD1 . ASN A 1 54  ? 14.433  -6.497  0.285   1.000 17.704 0 54  ASN A OD1 1 ? 
ATOM   401  N  ND2 . ASN A 1 54  ? 16.116  -5.133  -0.297  1.000 21.231 0 54  ASN A ND2 1 ? 
ATOM   402  N  N   . ILE A 1 55  ? 11.243  -6.395  -0.156  1.000 15.725 0 55  ILE A N   1 ? 
ATOM   403  C  CA  . ILE A 1 55  ? 10.356  -7.295  0.553   1.000 18.534 0 55  ILE A CA  1 ? 
ATOM   404  C  C   . ILE A 1 55  ? 11.131  -8.211  1.495   1.000 17.160 0 55  ILE A C   1 ? 
ATOM   405  O  O   . ILE A 1 55  ? 10.461  -8.936  2.243   1.000 16.988 0 55  ILE A O   1 ? 
ATOM   406  C  CB  . ILE A 1 55  ? 9.477   -8.144  -0.395  1.000 20.961 0 55  ILE A CB  1 ? 
ATOM   407  C  CG1 . ILE A 1 55  ? 10.318  -8.849  -1.463  1.000 22.456 0 55  ILE A CG1 1 ? 
ATOM   408  C  CG2 . ILE A 1 55  ? 8.339   -7.294  -0.979  1.000 20.219 0 55  ILE A CG2 1 ? 
ATOM   409  C  CD1 . ILE A 1 55  ? 9.537   -9.831  -2.265  1.000 24.893 0 55  ILE A CD1 1 ? 
ATOM   410  N  N   . ASN A 1 56  ? 12.475  -8.263  1.381   1.000 17.996 0 56  ASN A N   1 ? 
ATOM   411  C  CA  . ASN A 1 56  ? 13.300  -9.138  2.225   1.000 18.932 0 56  ASN A CA  1 ? 
ATOM   412  C  C   . ASN A 1 56  ? 13.943  -8.414  3.420   1.000 17.821 0 56  ASN A C   1 ? 
ATOM   413  O  O   . ASN A 1 56  ? 14.580  -9.080  4.244   1.000 18.267 0 56  ASN A O   1 ? 
ATOM   414  C  CB  . ASN A 1 56  ? 14.410  -9.840  1.427   1.000 20.092 0 56  ASN A CB  1 ? 
ATOM   415  C  CG  . ASN A 1 56  ? 13.850  -10.928 0.543   1.000 23.962 0 56  ASN A CG  1 ? 
ATOM   416  O  OD1 . ASN A 1 56  ? 12.979  -11.660 0.979   1.000 29.578 0 56  ASN A OD1 1 ? 
ATOM   417  N  ND2 . ASN A 1 56  ? 14.335  -11.043 -0.681  1.000 26.577 0 56  ASN A ND2 1 ? 
ATOM   418  N  N   . VAL A 1 57  ? 13.797  -7.086  3.540   1.000 16.457 0 57  VAL A N   1 ? 
ATOM   419  C  CA  . VAL A 1 57  ? 14.392  -6.267  4.599   1.000 18.052 0 57  VAL A CA  1 ? 
ATOM   420  C  C   . VAL A 1 57  ? 13.333  -5.344  5.192   1.000 19.393 0 57  VAL A C   1 ? 
ATOM   421  O  O   . VAL A 1 57  ? 12.673  -4.639  4.453   1.000 17.755 0 57  VAL A O   1 ? 
ATOM   422  C  CB  . VAL A 1 57  ? 15.577  -5.431  4.062   1.000 17.192 0 57  VAL A CB  1 ? 
ATOM   423  C  CG1 . VAL A 1 57  ? 16.204  -4.536  5.123   1.000 18.670 0 57  VAL A CG1 1 ? 
ATOM   424  C  CG2 . VAL A 1 57  ? 16.632  -6.320  3.420   1.000 19.716 0 57  VAL A CG2 1 ? 
ATOM   425  N  N   . VAL A 1 58  ? 13.225  -5.290  6.523   1.000 20.503 0 58  VAL A N   1 ? 
ATOM   426  C  CA  . VAL A 1 58  ? 12.397  -4.283  7.169   1.000 20.909 0 58  VAL A CA  1 ? 
ATOM   427  C  C   . VAL A 1 58  ? 13.111  -2.926  7.128   1.000 22.450 0 58  VAL A C   1 ? 
ATOM   428  O  O   . VAL A 1 58  ? 14.178  -2.753  7.715   1.000 21.320 0 58  VAL A O   1 ? 
ATOM   429  C  CB  . VAL A 1 58  ? 11.970  -4.725  8.591   1.000 20.572 0 58  VAL A CB  1 ? 
ATOM   430  C  CG1 . VAL A 1 58  ? 11.231  -3.628  9.333   1.000 21.918 0 58  VAL A CG1 1 ? 
ATOM   431  C  CG2 . VAL A 1 58  ? 11.117  -5.983  8.558   1.000 20.090 0 58  VAL A CG2 1 ? 
ATOM   432  N  N   . GLU A 1 59  ? 12.516  -1.951  6.419   1.000 21.391 0 59  GLU A N   1 ? 
ATOM   433  C  CA  . GLU A 1 59  ? 13.130  -0.649  6.212   1.000 26.116 0 59  GLU A CA  1 ? 
ATOM   434  C  C   . GLU A 1 59  ? 12.478  0.385   7.142   1.000 27.824 0 59  GLU A C   1 ? 
ATOM   435  O  O   . GLU A 1 59  ? 13.032  1.460   7.329   1.000 27.308 0 59  GLU A O   1 ? 
ATOM   436  C  CB  . GLU A 1 59  ? 13.057  -0.272  4.725   1.000 27.231 0 59  GLU A CB  1 ? 
ATOM   437  C  CG  . GLU A 1 59  ? 13.829  -1.241  3.821   1.000 28.153 0 59  GLU A CG  1 ? 
ATOM   438  C  CD  . GLU A 1 59  ? 13.775  -1.051  2.305   1.000 32.972 0 59  GLU A CD  1 ? 
ATOM   439  O  OE1 . GLU A 1 59  ? 12.681  -1.154  1.724   1.000 28.156 0 59  GLU A OE1 1 ? 
ATOM   440  O  OE2 . GLU A 1 59  ? 14.849  -0.821  1.692   1.000 41.401 0 59  GLU A OE2 1 ? 
ATOM   441  N  N   . GLY A 1 60  ? 11.304  0.067   7.729   1.000 28.640 0 60  GLY A N   1 ? 
ATOM   442  C  CA  . GLY A 1 60  ? 10.730  0.870   8.799   1.000 29.370 0 60  GLY A CA  1 ? 
ATOM   443  C  C   . GLY A 1 60  ? 9.412   1.561   8.436   1.000 30.281 0 60  GLY A C   1 ? 
ATOM   444  O  O   . GLY A 1 60  ? 8.783   2.143   9.309   1.000 34.047 0 60  GLY A O   1 ? 
ATOM   445  N  N   . ASN A 1 61  ? 8.990   1.514   7.168   1.000 28.272 0 61  ASN A N   1 ? 
ATOM   446  C  CA  . ASN A 1 61  ? 7.749   2.145   6.745   1.000 29.048 0 61  ASN A CA  1 ? 
ATOM   447  C  C   . ASN A 1 61  ? 6.634   1.124   6.501   1.000 26.970 0 61  ASN A C   1 ? 
ATOM   448  O  O   . ASN A 1 61  ? 5.539   1.514   6.121   1.000 23.774 0 61  ASN A O   1 ? 
ATOM   449  C  CB  . ASN A 1 61  ? 7.946   2.932   5.452   1.000 31.877 0 61  ASN A CB  1 ? 
ATOM   450  C  CG  . ASN A 1 61  ? 9.084   3.923   5.555   1.000 35.935 0 61  ASN A CG  1 ? 
ATOM   451  O  OD1 . ASN A 1 61  ? 9.090   4.776   6.439   1.000 43.513 0 61  ASN A OD1 1 ? 
ATOM   452  N  ND2 . ASN A 1 61  ? 10.047  3.818   4.659   1.000 39.265 0 61  ASN A ND2 1 ? 
ATOM   453  N  N   . GLU A 1 62  ? 6.893   -0.164  6.743   1.000 21.134 0 62  GLU A N   1 ? 
ATOM   454  C  CA  . GLU A 1 62  ? 5.922   -1.215  6.476   1.000 20.105 0 62  GLU A CA  1 ? 
ATOM   455  C  C   . GLU A 1 62  ? 4.742   -1.255  7.473   1.000 19.572 0 62  GLU A C   1 ? 
ATOM   456  O  O   . GLU A 1 62  ? 4.815   -0.906  8.643   1.000 19.619 0 62  GLU A O   1 ? 
ATOM   457  C  CB  . GLU A 1 62  ? 6.607   -2.583  6.512   1.000 19.926 0 62  GLU A CB  1 ? 
ATOM   458  C  CG  . GLU A 1 62  ? 7.740   -2.763  5.523   1.000 20.192 0 62  GLU A CG  1 ? 
ATOM   459  C  CD  . GLU A 1 62  ? 9.147   -2.371  5.979   1.000 20.300 0 62  GLU A CD  1 ? 
ATOM   460  O  OE1 . GLU A 1 62  ? 9.309   -1.577  6.964   1.000 18.394 0 62  GLU A OE1 1 ? 
ATOM   461  O  OE2 . GLU A 1 62  ? 10.087  -2.864  5.340   1.000 16.202 0 62  GLU A OE2 1 ? 
ATOM   462  N  N   . GLN A 1 63  ? 3.625   -1.801  7.008   1.000 18.494 0 63  GLN A N   1 ? 
ATOM   463  C  CA  . GLN A 1 63  ? 2.531   -2.201  7.869   1.000 17.710 0 63  GLN A CA  1 ? 
ATOM   464  C  C   . GLN A 1 63  ? 2.182   -3.610  7.433   1.000 18.644 0 63  GLN A C   1 ? 
ATOM   465  O  O   . GLN A 1 63  ? 2.006   -3.831  6.239   1.000 18.275 0 63  GLN A O   1 ? 
ATOM   466  C  CB  . GLN A 1 63  ? 1.351   -1.227  7.718   1.000 19.644 0 63  GLN A CB  1 ? 
ATOM   467  C  CG  . GLN A 1 63  ? 1.606   0.198   8.193   1.000 20.395 0 63  GLN A CG  1 ? 
ATOM   468  C  CD  . GLN A 1 63  ? 0.466   1.137   7.841   1.000 22.089 0 63  GLN A CD  1 ? 
ATOM   469  O  OE1 . GLN A 1 63  ? -0.705  0.839   8.095   1.000 23.071 0 63  GLN A OE1 1 ? 
ATOM   470  N  NE2 . GLN A 1 63  ? 0.789   2.292   7.272   1.000 20.809 0 63  GLN A NE2 1 ? 
ATOM   471  N  N   . PHE A 1 64  ? 2.159   -4.539  8.392   1.000 17.903 0 64  PHE A N   1 ? 
ATOM   472  C  CA  . PHE A 1 64  ? 1.858   -5.939  8.160   1.000 18.332 0 64  PHE A CA  1 ? 
ATOM   473  C  C   . PHE A 1 64  ? 0.510   -6.198  8.825   1.000 21.515 0 64  PHE A C   1 ? 
ATOM   474  O  O   . PHE A 1 64  ? 0.386   -6.042  10.054  1.000 21.483 0 64  PHE A O   1 ? 
ATOM   475  C  CB  . PHE A 1 64  ? 2.943   -6.855  8.745   1.000 19.076 0 64  PHE A CB  1 ? 
ATOM   476  C  CG  . PHE A 1 64  ? 4.326   -6.829  8.135   1.000 18.811 0 64  PHE A CG  1 ? 
ATOM   477  C  CD1 . PHE A 1 64  ? 4.656   -6.064  7.016   1.000 19.526 0 64  PHE A CD1 1 ? 
ATOM   478  C  CD2 . PHE A 1 64  ? 5.339   -7.571  8.723   1.000 21.666 0 64  PHE A CD2 1 ? 
ATOM   479  C  CE1 . PHE A 1 64  ? 5.940   -6.084  6.476   1.000 19.962 0 64  PHE A CE1 1 ? 
ATOM   480  C  CE2 . PHE A 1 64  ? 6.622   -7.583  8.188   1.000 22.693 0 64  PHE A CE2 1 ? 
ATOM   481  C  CZ  . PHE A 1 64  ? 6.933   -6.815  7.086   1.000 21.007 0 64  PHE A CZ  1 ? 
ATOM   482  N  N   . ILE A 1 65  ? -0.533  -6.484  8.018   1.000 18.346 0 65  ILE A N   1 ? 
ATOM   483  C  CA  . ILE A 1 65  ? -1.885  -6.626  8.546   1.000 19.258 0 65  ILE A CA  1 ? 
ATOM   484  C  C   . ILE A 1 65  ? -2.488  -7.916  8.002   1.000 17.843 0 65  ILE A C   1 ? 
ATOM   485  O  O   . ILE A 1 65  ? -2.539  -8.120  6.786   1.000 17.934 0 65  ILE A O   1 ? 
ATOM   486  C  CB  . ILE A 1 65  ? -2.763  -5.391  8.213   1.000 18.685 0 65  ILE A CB  1 ? 
ATOM   487  C  CG1 . ILE A 1 65  ? -2.122  -4.094  8.713   1.000 20.087 0 65  ILE A CG1 1 ? 
ATOM   488  C  CG2 . ILE A 1 65  ? -4.185  -5.534  8.743   1.000 19.407 0 65  ILE A CG2 1 ? 
ATOM   489  C  CD1 . ILE A 1 65  ? -2.756  -2.819  8.228   1.000 20.728 0 65  ILE A CD1 1 ? 
ATOM   490  N  N   . SER A 1 66  ? -2.988  -8.756  8.904   1.000 18.430 0 66  SER A N   1 ? 
ATOM   491  C  CA  . SER A 1 66  ? -3.709  -9.956  8.532   1.000 19.357 0 66  SER A CA  1 ? 
ATOM   492  C  C   . SER A 1 66  ? -5.024  -9.647  7.800   1.000 19.284 0 66  SER A C   1 ? 
ATOM   493  O  O   . SER A 1 66  ? -5.687  -8.660  8.100   1.000 19.426 0 66  SER A O   1 ? 
ATOM   494  C  CB  . SER A 1 66  ? -3.976  -10.755 9.780   1.000 23.723 0 66  SER A CB  1 ? 
ATOM   495  O  OG  . SER A 1 66  ? -2.756  -11.268 10.273  1.000 26.601 0 66  SER A OG  1 ? 
ATOM   496  N  N   . ALA A 1 67  ? -5.393  -10.539 6.862   1.000 18.754 0 67  ALA A N   1 ? 
ATOM   497  C  CA  . ALA A 1 67  ? -6.685  -10.519 6.194   1.000 21.678 0 67  ALA A CA  1 ? 
ATOM   498  C  C   . ALA A 1 67  ? -7.739  -11.134 7.121   1.000 20.318 0 67  ALA A C   1 ? 
ATOM   499  O  O   . ALA A 1 67  ? -7.493  -12.178 7.723   1.000 20.349 0 67  ALA A O   1 ? 
ATOM   500  C  CB  . ALA A 1 67  ? -6.598  -11.289 4.900   1.000 19.870 0 67  ALA A CB  1 ? 
ATOM   501  N  N   . SER A 1 68  ? -8.906  -10.492 7.251   1.000 20.311 0 68  SER A N   1 ? 
ATOM   502  C  CA  . SER A 1 68  ? -9.986  -11.086 8.023   1.000 19.896 0 68  SER A CA  1 ? 
ATOM   503  C  C   . SER A 1 68  ? -10.870 -11.948 7.127   1.000 21.687 0 68  SER A C   1 ? 
ATOM   504  O  O   . SER A 1 68  ? -11.503 -12.906 7.590   1.000 23.218 0 68  SER A O   1 ? 
ATOM   505  C  CB  . SER A 1 68  ? -10.793 -10.030 8.722   1.000 22.198 0 68  SER A CB  1 ? 
ATOM   506  O  OG  . SER A 1 68  ? -11.479 -9.252  7.770   1.000 23.358 0 68  SER A OG  1 ? 
ATOM   507  N  N   . LYS A 1 69  ? -10.966 -11.567 5.848   1.000 21.555 0 69  LYS A N   1 ? 
ATOM   508  C  CA  . LYS A 1 69  ? -11.789 -12.313 4.905   1.000 22.084 0 69  LYS A CA  1 ? 
ATOM   509  C  C   . LYS A 1 69  ? -11.349 -12.024 3.473   1.000 20.342 0 69  LYS A C   1 ? 
ATOM   510  O  O   . LYS A 1 69  ? -10.734 -10.992 3.176   1.000 20.195 0 69  LYS A O   1 ? 
ATOM   511  C  CB  . LYS A 1 69  ? -13.276 -11.979 5.100   1.000 23.896 0 69  LYS A CB  1 ? 
ATOM   512  C  CG  . LYS A 1 69  ? -13.667 -10.524 4.916   1.000 25.155 0 69  LYS A CG  1 ? 
ATOM   513  C  CD  . LYS A 1 69  ? -15.149 -10.218 5.226   1.000 26.113 0 69  LYS A CD  1 ? 
ATOM   514  C  CE  . LYS A 1 69  ? -15.413 -9.817  6.665   1.000 27.491 0 69  LYS A CE  1 ? 
ATOM   515  N  NZ  . LYS A 1 69  ? -16.823 -9.428  6.930   1.000 28.720 0 69  LYS A NZ  1 ? 
ATOM   516  N  N   . SER A 1 70  ? -11.709 -12.949 2.590   1.000 18.936 0 70  SER A N   1 ? 
ATOM   517  C  CA  . SER A 1 70  ? -11.390 -12.866 1.176   1.000 19.899 0 70  SER A CA  1 ? 
ATOM   518  C  C   . SER A 1 70  ? -12.668 -13.155 0.416   1.000 18.686 0 70  SER A C   1 ? 
ATOM   519  O  O   . SER A 1 70  ? -13.400 -14.047 0.807   1.000 18.254 0 70  SER A O   1 ? 
ATOM   520  C  CB  . SER A 1 70  ? -10.330 -13.857 0.773   1.000 21.763 0 70  SER A CB  1 ? 
ATOM   521  O  OG  . SER A 1 70  ? -9.099  -13.518 1.368   1.000 28.706 0 70  SER A OG  1 ? 
ATOM   522  N  N   . ILE A 1 71  ? -12.949 -12.384 -0.630  1.000 16.557 0 71  ILE A N   1 ? 
ATOM   523  C  CA  . ILE A 1 71  ? -14.162 -12.591 -1.387  1.000 15.396 0 71  ILE A CA  1 ? 
ATOM   524  C  C   . ILE A 1 71  ? -13.789 -12.650 -2.848  1.000 14.154 0 71  ILE A C   1 ? 
ATOM   525  O  O   . ILE A 1 71  ? -13.289 -11.683 -3.411  1.000 14.660 0 71  ILE A O   1 ? 
ATOM   526  C  CB  . ILE A 1 71  ? -15.179 -11.471 -1.120  1.000 16.178 0 71  ILE A CB  1 ? 
ATOM   527  C  CG1 . ILE A 1 71  ? -15.487 -11.365 0.379   1.000 18.306 0 71  ILE A CG1 1 ? 
ATOM   528  C  CG2 . ILE A 1 71  ? -16.407 -11.682 -1.983  1.000 15.791 0 71  ILE A CG2 1 ? 
ATOM   529  C  CD1 . ILE A 1 71  ? -16.112 -10.084 0.807   1.000 20.750 0 71  ILE A CD1 1 ? 
ATOM   530  N  N   . VAL A 1 72  ? -13.928 -13.855 -3.368  1.000 14.250 0 72  VAL A N   1 ? 
ATOM   531  C  CA  . VAL A 1 72  ? -13.636 -14.148 -4.750  1.000 14.638 0 72  VAL A CA  1 ? 
ATOM   532  C  C   . VAL A 1 72  ? -14.878 -13.801 -5.566  1.000 15.839 0 72  VAL A C   1 ? 
ATOM   533  O  O   . VAL A 1 72  ? -16.014 -13.956 -5.121  1.000 16.146 0 72  VAL A O   1 ? 
ATOM   534  C  CB  . VAL A 1 72  ? -13.219 -15.610 -4.915  1.000 15.735 0 72  VAL A CB  1 ? 
ATOM   535  C  CG1 . VAL A 1 72  ? -13.040 -15.916 -6.388  1.000 16.185 0 72  VAL A CG1 1 ? 
ATOM   536  C  CG2 . VAL A 1 72  ? -11.968 -15.933 -4.121  1.000 15.416 0 72  VAL A CG2 1 ? 
ATOM   537  N  N   . HIS A 1 73  ? -14.664 -13.245 -6.758  1.000 14.356 0 73  HIS A N   1 ? 
ATOM   538  C  CA  . HIS A 1 73  ? -15.790 -12.850 -7.578  1.000 14.477 0 73  HIS A CA  1 ? 
ATOM   539  C  C   . HIS A 1 73  ? -16.664 -14.081 -7.822  1.000 14.031 0 73  HIS A C   1 ? 
ATOM   540  O  O   . HIS A 1 73  ? -16.131 -15.173 -8.088  1.000 14.119 0 73  HIS A O   1 ? 
ATOM   541  C  CB  . HIS A 1 73  ? -15.342 -12.231 -8.905  1.000 14.397 0 73  HIS A CB  1 ? 
ATOM   542  C  CG  . HIS A 1 73  ? -16.478 -11.665 -9.697  1.000 14.527 0 73  HIS A CG  1 ? 
ATOM   543  N  ND1 . HIS A 1 73  ? -17.322 -12.395 -10.519 1.000 15.550 0 73  HIS A ND1 1 ? 
ATOM   544  C  CD2 . HIS A 1 73  ? -16.916 -10.381 -9.701  1.000 15.357 0 73  HIS A CD2 1 ? 
ATOM   545  C  CE1 . HIS A 1 73  ? -18.232 -11.569 -11.027 1.000 16.607 0 73  HIS A CE1 1 ? 
ATOM   546  N  NE2 . HIS A 1 73  ? -17.988 -10.305 -10.541 1.000 15.835 0 73  HIS A NE2 1 ? 
ATOM   547  N  N   . PRO A 1 74  ? -18.008 -13.958 -7.703  1.000 15.654 0 74  PRO A N   1 ? 
ATOM   548  C  CA  . PRO A 1 74  ? -18.924 -15.107 -7.772  1.000 16.189 0 74  PRO A CA  1 ? 
ATOM   549  C  C   . PRO A 1 74  ? -18.923 -15.881 -9.087  1.000 14.909 0 74  PRO A C   1 ? 
ATOM   550  O  O   . PRO A 1 74  ? -19.398 -17.017 -9.089  1.000 15.525 0 74  PRO A O   1 ? 
ATOM   551  C  CB  . PRO A 1 74  ? -20.307 -14.494 -7.423  1.000 18.058 0 74  PRO A CB  1 ? 
ATOM   552  C  CG  . PRO A 1 74  ? -20.150 -13.063 -7.810  1.000 18.638 0 74  PRO A CG  1 ? 
ATOM   553  C  CD  . PRO A 1 74  ? -18.736 -12.721 -7.390  1.000 16.523 0 74  PRO A CD  1 ? 
ATOM   554  N  N   . SER A 1 75  ? -18.423 -15.272 -10.166 1.000 15.610 0 75  SER A N   1 ? 
ATOM   555  C  CA  . SER A 1 75  ? -18.362 -15.873 -11.498 1.000 17.354 0 75  SER A CA  1 ? 
ATOM   556  C  C   . SER A 1 75  ? -16.932 -16.193 -11.943 1.000 17.779 0 75  SER A C   1 ? 
ATOM   557  O  O   . SER A 1 75  ? -16.691 -16.464 -13.123 1.000 15.586 0 75  SER A O   1 ? 
ATOM   558  C  CB  . SER A 1 75  ? -18.989 -14.969 -12.523 1.000 18.709 0 75  SER A CB  1 ? 
ATOM   559  O  OG  . SER A 1 75  ? -20.319 -14.686 -12.175 1.000 22.733 0 75  SER A OG  1 ? 
ATOM   560  N  N   . TYR A 1 76  ? -15.980 -16.130 -11.023 1.000 16.574 0 76  TYR A N   1 ? 
ATOM   561  C  CA  . TYR A 1 76  ? -14.600 -16.444 -11.345 1.000 15.239 0 76  TYR A CA  1 ? 
ATOM   562  C  C   . TYR A 1 76  ? -14.525 -17.870 -11.869 1.000 15.753 0 76  TYR A C   1 ? 
ATOM   563  O  O   . TYR A 1 76  ? -15.034 -18.789 -11.254 1.000 16.737 0 76  TYR A O   1 ? 
ATOM   564  C  CB  . TYR A 1 76  ? -13.696 -16.277 -10.121 1.000 15.822 0 76  TYR A CB  1 ? 
ATOM   565  C  CG  . TYR A 1 76  ? -12.320 -16.849 -10.314 1.000 16.288 0 76  TYR A CG  1 ? 
ATOM   566  C  CD1 . TYR A 1 76  ? -11.491 -16.423 -11.348 1.000 16.160 0 76  TYR A CD1 1 ? 
ATOM   567  C  CD2 . TYR A 1 76  ? -11.877 -17.898 -9.520  1.000 15.581 0 76  TYR A CD2 1 ? 
ATOM   568  C  CE1 . TYR A 1 76  ? -10.203 -16.925 -11.483 1.000 16.355 0 76  TYR A CE1 1 ? 
ATOM   569  C  CE2 . TYR A 1 76  ? -10.607 -18.431 -9.660  1.000 15.981 0 76  TYR A CE2 1 ? 
ATOM   570  C  CZ  . TYR A 1 76  ? -9.759  -17.928 -10.642 1.000 15.801 0 76  TYR A CZ  1 ? 
ATOM   571  O  OH  . TYR A 1 76  ? -8.495  -18.442 -10.840 1.000 18.143 0 76  TYR A OH  1 ? 
ATOM   572  N  N   . ASN A 1 77  ? -13.887 -18.005 -13.034 1.000 14.860 0 77  ASN A N   1 ? 
ATOM   573  C  CA  . ASN A 1 77  ? -13.656 -19.281 -13.686 1.000 15.155 0 77  ASN A CA  1 ? 
ATOM   574  C  C   . ASN A 1 77  ? -12.158 -19.527 -13.733 1.000 15.774 0 77  ASN A C   1 ? 
ATOM   575  O  O   . ASN A 1 77  ? -11.445 -18.836 -14.471 1.000 16.712 0 77  ASN A O   1 ? 
ATOM   576  C  CB  . ASN A 1 77  ? -14.234 -19.258 -15.091 1.000 16.303 0 77  ASN A CB  1 ? 
ATOM   577  C  CG  . ASN A 1 77  ? -14.130 -20.620 -15.741 1.000 18.342 0 77  ASN A CG  1 ? 
ATOM   578  O  OD1 . ASN A 1 77  ? -13.091 -21.286 -15.627 1.000 19.358 0 77  ASN A OD1 1 ? 
ATOM   579  N  ND2 . ASN A 1 77  ? -15.197 -21.020 -16.407 1.000 19.940 0 77  ASN A ND2 1 ? 
ATOM   580  N  N   . SER A 1 78  ? -11.678 -20.507 -12.963 1.000 17.349 0 78  SER A N   1 ? 
ATOM   581  C  CA  . SER A 1 78  ? -10.249 -20.717 -12.854 1.000 18.394 0 78  SER A CA  1 ? 
ATOM   582  C  C   . SER A 1 78  ? -9.668  -21.412 -14.096 1.000 20.219 0 78  SER A C   1 ? 
ATOM   583  O  O   . SER A 1 78  ? -8.447  -21.449 -14.254 1.000 19.651 0 78  SER A O   1 ? 
ATOM   584  C  CB  . SER A 1 78  ? -9.894  -21.484 -11.624 1.000 18.918 0 78  SER A CB  1 ? 
ATOM   585  O  OG  . SER A 1 78  ? -10.615 -22.703 -11.575 1.000 19.519 0 78  SER A OG  1 ? 
ATOM   586  N  N   . ASN A 1 79  ? -10.523 -21.994 -14.944 1.000 16.743 0 79  ASN A N   1 ? 
ATOM   587  C  CA  . ASN A 1 79  ? -10.055 -22.582 -16.191 1.000 19.295 0 79  ASN A CA  1 ? 
ATOM   588  C  C   . ASN A 1 79  ? -9.751  -21.509 -17.229 1.000 19.291 0 79  ASN A C   1 ? 
ATOM   589  O  O   . ASN A 1 79  ? -8.743  -21.609 -17.917 1.000 20.558 0 79  ASN A O   1 ? 
ATOM   590  C  CB  . ASN A 1 79  ? -11.042 -23.586 -16.782 1.000 18.558 0 79  ASN A CB  1 ? 
ATOM   591  C  CG  . ASN A 1 79  ? -11.248 -24.774 -15.876 1.000 20.601 0 79  ASN A CG  1 ? 
ATOM   592  O  OD1 . ASN A 1 79  ? -10.300 -25.278 -15.270 1.000 23.429 0 79  ASN A OD1 1 ? 
ATOM   593  N  ND2 . ASN A 1 79  ? -12.484 -25.225 -15.803 1.000 21.524 0 79  ASN A ND2 1 ? 
ATOM   594  N  N   . THR A 1 80  ? -10.617 -20.491 -17.328 1.000 18.705 0 80  THR A N   1 ? 
ATOM   595  C  CA  . THR A 1 80  ? -10.488 -19.464 -18.338 1.000 18.053 0 80  THR A CA  1 ? 
ATOM   596  C  C   . THR A 1 80  ? -9.872  -18.175 -17.775 1.000 16.849 0 80  THR A C   1 ? 
ATOM   597  O  O   . THR A 1 80  ? -9.487  -17.330 -18.573 1.000 17.479 0 80  THR A O   1 ? 
ATOM   598  C  CB  . THR A 1 80  ? -11.841 -19.185 -18.982 1.000 18.114 0 80  THR A CB  1 ? 
ATOM   599  O  OG1 . THR A 1 80  ? -12.692 -18.639 -17.977 1.000 18.515 0 80  THR A OG1 1 ? 
ATOM   600  C  CG2 . THR A 1 80  ? -12.458 -20.430 -19.608 1.000 18.689 0 80  THR A CG2 1 ? 
ATOM   601  N  N   . LEU A 1 81  ? -9.844  -18.041 -16.432 1.000 15.206 0 81  LEU A N   1 ? 
ATOM   602  C  CA  . LEU A 1 81  ? -9.461  -16.849 -15.676 1.000 16.979 0 81  LEU A CA  1 ? 
ATOM   603  C  C   . LEU A 1 81  ? -10.407 -15.683 -15.952 1.000 15.005 0 81  LEU A C   1 ? 
ATOM   604  O  O   . LEU A 1 81  ? -10.033 -14.528 -15.759 1.000 13.505 0 81  LEU A O   1 ? 
ATOM   605  C  CB  . LEU A 1 81  ? -8.016  -16.449 -15.937 1.000 16.726 0 81  LEU A CB  1 ? 
ATOM   606  C  CG  . LEU A 1 81  ? -6.943  -17.428 -15.424 1.000 19.901 0 81  LEU A CG  1 ? 
ATOM   607  C  CD1 . LEU A 1 81  ? -5.558  -16.804 -15.484 1.000 21.766 0 81  LEU A CD1 1 ? 
ATOM   608  C  CD2 . LEU A 1 81  ? -7.216  -17.880 -13.995 1.000 19.266 0 81  LEU A CD2 1 ? 
ATOM   609  N  N   . ASN A 1 82  ? -11.609 -15.969 -16.430 1.000 14.520 0 82  ASN A N   1 ? 
ATOM   610  C  CA  . ASN A 1 82  ? -12.661 -14.951 -16.562 1.000 13.871 0 82  ASN A CA  1 ? 
ATOM   611  C  C   . ASN A 1 82  ? -13.064 -14.509 -15.148 1.000 14.214 0 82  ASN A C   1 ? 
ATOM   612  O  O   . ASN A 1 82  ? -13.190 -15.362 -14.281 1.000 15.285 0 82  ASN A O   1 ? 
ATOM   613  C  CB  . ASN A 1 82  ? -13.854 -15.481 -17.378 1.000 14.938 0 82  ASN A CB  1 ? 
ATOM   614  C  CG  . ASN A 1 82  ? -14.830 -14.420 -17.856 1.000 14.402 0 82  ASN A CG  1 ? 
ATOM   615  O  OD1 . ASN A 1 82  ? -14.472 -13.247 -18.058 1.000 15.294 0 82  ASN A OD1 1 ? 
ATOM   616  N  ND2 . ASN A 1 82  ? -16.085 -14.813 -17.949 1.000 16.234 0 82  ASN A ND2 1 ? 
ATOM   617  N  N   . ASN A 1 83  ? -13.217 -13.191 -14.939 1.000 14.069 0 83  ASN A N   1 ? 
ATOM   618  C  CA  . ASN A 1 83  ? -13.518 -12.578 -13.645 1.000 13.568 0 83  ASN A CA  1 ? 
ATOM   619  C  C   . ASN A 1 83  ? -12.440 -12.890 -12.593 1.000 11.754 0 83  ASN A C   1 ? 
ATOM   620  O  O   . ASN A 1 83  ? -12.751 -13.175 -11.443 1.000 10.940 0 83  ASN A O   1 ? 
ATOM   621  C  CB  . ASN A 1 83  ? -14.904 -13.007 -13.169 1.000 14.183 0 83  ASN A CB  1 ? 
ATOM   622  C  CG  . ASN A 1 83  ? -15.978 -12.777 -14.208 1.000 16.036 0 83  ASN A CG  1 ? 
ATOM   623  O  OD1 . ASN A 1 83  ? -16.182 -11.647 -14.644 1.000 16.000 0 83  ASN A OD1 1 ? 
ATOM   624  N  ND2 . ASN A 1 83  ? -16.598 -13.856 -14.653 1.000 15.761 0 83  ASN A ND2 1 ? 
ATOM   625  N  N   . ASP A 1 84  ? -11.169 -12.708 -12.971 1.000 13.111 0 84  ASP A N   1 ? 
ATOM   626  C  CA  . ASP A 1 84  ? -10.021 -12.941 -12.102 1.000 12.850 0 84  ASP A CA  1 ? 
ATOM   627  C  C   . ASP A 1 84  ? -9.827  -11.717 -11.207 1.000 13.377 0 84  ASP A C   1 ? 
ATOM   628  O  O   . ASP A 1 84  ? -8.916  -10.899 -11.412 1.000 12.628 0 84  ASP A O   1 ? 
ATOM   629  C  CB  . ASP A 1 84  ? -8.781  -13.255 -12.957 1.000 12.199 0 84  ASP A CB  1 ? 
ATOM   630  C  CG  . ASP A 1 84  ? -7.607  -13.774 -12.164 1.000 12.879 0 84  ASP A CG  1 ? 
ATOM   631  O  OD1 . ASP A 1 84  ? -7.855  -14.072 -10.954 1.000 13.418 0 84  ASP A OD1 1 ? 
ATOM   632  O  OD2 . ASP A 1 84  ? -6.472  -13.808 -12.730 1.000 14.027 0 84  ASP A OD2 1 ? 
ATOM   633  N  N   . ILE A 1 85  ? -10.641 -11.661 -10.146 1.000 13.095 0 85  ILE A N   1 ? 
ATOM   634  C  CA  . ILE A 1 85  ? -10.679 -10.538 -9.237  1.000 12.858 0 85  ILE A CA  1 ? 
ATOM   635  C  C   . ILE A 1 85  ? -11.182 -11.057 -7.896  1.000 12.627 0 85  ILE A C   1 ? 
ATOM   636  O  O   . ILE A 1 85  ? -12.096 -11.883 -7.831  1.000 11.558 0 85  ILE A O   1 ? 
ATOM   637  C  CB  . ILE A 1 85  ? -11.524 -9.370  -9.812  1.000 14.512 0 85  ILE A CB  1 ? 
ATOM   638  C  CG1 . ILE A 1 85  ? -11.435 -8.160  -8.873  1.000 15.373 0 85  ILE A CG1 1 ? 
ATOM   639  C  CG2 . ILE A 1 85  ? -12.956 -9.770  -10.089 1.000 15.150 0 85  ILE A CG2 1 ? 
ATOM   640  C  CD1 . ILE A 1 85  ? -11.938 -6.837  -9.385  1.000 17.638 0 85  ILE A CD1 1 ? 
ATOM   641  N  N   . MET A 1 86  ? -10.615 -10.480 -6.842  1.000 11.598 0 86  MET A N   1 ? 
ATOM   642  C  CA  . MET A 1 86  ? -10.939 -10.846 -5.481  1.000 12.521 0 86  MET A CA  1 ? 
ATOM   643  C  C   . MET A 1 86  ? -10.667 -9.645  -4.597  1.000 12.143 0 86  MET A C   1 ? 
ATOM   644  O  O   . MET A 1 86  ? -9.877  -8.755  -4.959  1.000 11.967 0 86  MET A O   1 ? 
ATOM   645  C  CB  . MET A 1 86  ? -10.134 -12.099 -5.082  1.000 17.245 0 86  MET A CB  1 ? 
ATOM   646  C  CG  . MET A 1 86  ? -9.340  -11.963 -3.848  1.000 21.349 0 86  MET A CG  1 ? 
ATOM   647  S  SD  . MET A 1 86  ? -8.412  -13.500 -3.471  1.000 22.276 0 86  MET A SD  1 ? 
ATOM   648  C  CE  . MET A 1 86  ? -6.713  -13.002 -3.634  1.000 21.828 0 86  MET A CE  1 ? 
ATOM   649  N  N   . LEU A 1 87  ? -11.439 -9.568  -3.507  1.000 12.027 0 87  LEU A N   1 ? 
ATOM   650  C  CA  . LEU A 1 87  ? -11.321 -8.512  -2.510  1.000 14.079 0 87  LEU A CA  1 ? 
ATOM   651  C  C   . LEU A 1 87  ? -10.826 -9.124  -1.208  1.000 14.331 0 87  LEU A C   1 ? 
ATOM   652  O  O   . LEU A 1 87  ? -11.255 -10.213 -0.844  1.000 14.523 0 87  LEU A O   1 ? 
ATOM   653  C  CB  . LEU A 1 87  ? -12.702 -7.895  -2.295  1.000 14.134 0 87  LEU A CB  1 ? 
ATOM   654  C  CG  . LEU A 1 87  ? -13.234 -7.061  -3.453  1.000 16.901 0 87  LEU A CG  1 ? 
ATOM   655  C  CD1 . LEU A 1 87  ? -14.707 -6.729  -3.281  1.000 18.153 0 87  LEU A CD1 1 ? 
ATOM   656  C  CD2 . LEU A 1 87  ? -12.413 -5.787  -3.551  1.000 17.156 0 87  LEU A CD2 1 ? 
ATOM   657  N  N   . ILE A 1 88  ? -9.890  -8.440  -0.548  1.000 13.422 0 88  ILE A N   1 ? 
ATOM   658  C  CA  . ILE A 1 88  ? -9.357  -8.908  0.715   1.000 14.990 0 88  ILE A CA  1 ? 
ATOM   659  C  C   . ILE A 1 88  ? -9.617  -7.784  1.703   1.000 15.111 0 88  ILE A C   1 ? 
ATOM   660  O  O   . ILE A 1 88  ? -9.281  -6.635  1.443   1.000 16.010 0 88  ILE A O   1 ? 
ATOM   661  C  CB  . ILE A 1 88  ? -7.857  -9.250  0.623   1.000 16.784 0 88  ILE A CB  1 ? 
ATOM   662  C  CG1 . ILE A 1 88  ? -7.559  -10.372 -0.368  1.000 17.222 0 88  ILE A CG1 1 ? 
ATOM   663  C  CG2 . ILE A 1 88  ? -7.286  -9.564  2.004   1.000 17.992 0 88  ILE A CG2 1 ? 
ATOM   664  C  CD1 . ILE A 1 88  ? -6.159  -10.300 -0.933  1.000 18.873 0 88  ILE A CD1 1 ? 
ATOM   665  N  N   . LYS A 1 89  ? -10.244 -8.138  2.818   1.000 16.527 0 89  LYS A N   1 ? 
ATOM   666  C  CA  . LYS A 1 89  ? -10.460 -7.193  3.889   1.000 17.901 0 89  LYS A CA  1 ? 
ATOM   667  C  C   . LYS A 1 89  ? -9.383  -7.359  4.959   1.000 17.078 0 89  LYS A C   1 ? 
ATOM   668  O  O   . LYS A 1 89  ? -9.158  -8.465  5.420   1.000 17.271 0 89  LYS A O   1 ? 
ATOM   669  C  CB  . LYS A 1 89  ? -11.832 -7.366  4.536   1.000 19.192 0 89  LYS A CB  1 ? 
ATOM   670  C  CG  . LYS A 1 89  ? -12.216 -6.133  5.341   1.000 21.523 0 89  LYS A CG  1 ? 
ATOM   671  C  CD  . LYS A 1 89  ? -13.544 -6.246  6.012   1.000 21.874 0 89  LYS A CD  1 ? 
ATOM   672  C  CE  . LYS A 1 89  ? -13.985 -4.953  6.659   1.000 23.036 0 89  LYS A CE  1 ? 
ATOM   673  N  NZ  . LYS A 1 89  ? -15.144 -5.204  7.538   1.000 24.662 0 89  LYS A NZ  1 ? 
ATOM   674  N  N   . LEU A 1 90  ? -8.814  -6.229  5.396   1.000 18.579 0 90  LEU A N   1 ? 
ATOM   675  C  CA  . LEU A 1 90  ? -7.820  -6.195  6.458   1.000 20.345 0 90  LEU A CA  1 ? 
ATOM   676  C  C   . LEU A 1 90  ? -8.520  -6.256  7.816   1.000 20.317 0 90  LEU A C   1 ? 
ATOM   677  O  O   . LEU A 1 90  ? -9.595  -5.655  7.981   1.000 20.112 0 90  LEU A O   1 ? 
ATOM   678  C  CB  . LEU A 1 90  ? -7.021  -4.899  6.328   1.000 20.849 0 90  LEU A CB  1 ? 
ATOM   679  C  CG  . LEU A 1 90  ? -6.301  -4.699  4.994   1.000 22.189 0 90  LEU A CG  1 ? 
ATOM   680  C  CD1 . LEU A 1 90  ? -5.593  -3.369  5.013   1.000 24.499 0 90  LEU A CD1 1 ? 
ATOM   681  C  CD2 . LEU A 1 90  ? -5.337  -5.844  4.697   1.000 24.291 0 90  LEU A CD2 1 ? 
ATOM   682  N  N   . LYS A 1 91  ? -7.876  -6.951  8.766   1.000 22.685 0 91  LYS A N   1 ? 
ATOM   683  C  CA  . LYS A 1 91  ? -8.386  -7.118  10.129  1.000 26.075 0 91  LYS A CA  1 ? 
ATOM   684  C  C   . LYS A 1 91  ? -8.456  -5.776  10.855  1.000 27.315 0 91  LYS A C   1 ? 
ATOM   685  O  O   . LYS A 1 91  ? -9.314  -5.588  11.726  1.000 26.128 0 91  LYS A O   1 ? 
ATOM   686  C  CB  . LYS A 1 91  ? -7.518  -8.098  10.932  1.000 28.859 0 91  LYS A CB  1 ? 
ATOM   687  C  CG  . LYS A 1 91  ? -7.995  -9.538  10.924  1.000 34.314 0 91  LYS A CG  1 ? 
ATOM   688  C  CD  . LYS A 1 91  ? -7.163  -10.465 11.799  1.000 36.217 0 91  LYS A CD  1 ? 
ATOM   689  C  CE  . LYS A 1 91  ? -7.686  -11.887 11.788  1.000 37.203 0 91  LYS A CE  1 ? 
ATOM   690  N  NZ  . LYS A 1 91  ? -6.648  -12.861 12.187  1.000 40.320 0 91  LYS A NZ  1 ? 
ATOM   691  N  N   . SER A 1 92  ? -7.514  -4.863  10.545  1.000 26.076 0 92  SER A N   1 ? 
ATOM   692  C  CA  . SER A 1 92  ? -7.620  -3.484  10.991  1.000 26.401 0 92  SER A CA  1 ? 
ATOM   693  C  C   . SER A 1 92  ? -7.197  -2.530  9.870   1.000 25.573 0 92  SER A C   1 ? 
ATOM   694  O  O   . SER A 1 92  ? -6.513  -2.922  8.924   1.000 25.166 0 92  SER A O   1 ? 
ATOM   695  C  CB  . SER A 1 92  ? -6.841  -3.254  12.265  1.000 29.201 0 92  SER A CB  1 ? 
ATOM   696  O  OG  . SER A 1 92  ? -5.479  -3.524  12.050  1.000 32.713 0 92  SER A OG  1 ? 
ATOM   697  N  N   . ALA A 1 93  ? -7.664  -1.288  9.975   1.000 23.234 0 93  ALA A N   1 ? 
ATOM   698  C  CA  . ALA A 1 93  ? -7.463  -0.284  8.947   1.000 24.265 0 93  ALA A CA  1 ? 
ATOM   699  C  C   . ALA A 1 93  ? -5.986  0.087   8.871   1.000 25.786 0 93  ALA A C   1 ? 
ATOM   700  O  O   . ALA A 1 93  ? -5.327  0.192   9.896   1.000 23.344 0 93  ALA A O   1 ? 
ATOM   701  C  CB  . ALA A 1 93  ? -8.300  0.918   9.274   1.000 22.768 0 93  ALA A CB  1 ? 
ATOM   702  N  N   . ALA A 1 94  ? -5.477  0.272   7.650   1.000 23.992 0 94  ALA A N   1 ? 
ATOM   703  C  CA  . ALA A 1 94  ? -4.132  0.774   7.442   1.000 23.936 0 94  ALA A CA  1 ? 
ATOM   704  C  C   . ALA A 1 94  ? -4.068  2.255   7.811   1.000 25.109 0 94  ALA A C   1 ? 
ATOM   705  O  O   . ALA A 1 94  ? -5.068  2.956   7.711   1.000 23.822 0 94  ALA A O   1 ? 
ATOM   706  C  CB  . ALA A 1 94  ? -3.740  0.584   5.992   1.000 25.529 0 94  ALA A CB  1 ? 
ATOM   707  N  N   . SER A 1 95  ? -2.873  2.713   8.206   1.000 25.343 0 95  SER A N   1 ? 
ATOM   708  C  CA  . SER A 1 95  ? -2.594  4.132   8.374   1.000 29.136 0 95  SER A CA  1 ? 
ATOM   709  C  C   . SER A 1 95  ? -2.121  4.695   7.045   1.000 28.099 0 95  SER A C   1 ? 
ATOM   710  O  O   . SER A 1 95  ? -1.042  4.323   6.585   1.000 30.538 0 95  SER A O   1 ? 
ATOM   711  C  CB  . SER A 1 95  ? -1.527  4.385   9.398   1.000 30.509 0 95  SER A CB  1 ? 
ATOM   712  O  OG  . SER A 1 95  ? -1.982  4.039   10.683  1.000 36.656 0 95  SER A OG  1 ? 
ATOM   713  N  N   . LEU A 1 96  ? -2.905  5.614   6.477   1.000 26.434 0 96  LEU A N   1 ? 
ATOM   714  C  CA  . LEU A 1 96  ? -2.614  6.165   5.167   1.000 28.897 0 96  LEU A CA  1 ? 
ATOM   715  C  C   . LEU A 1 96  ? -1.714  7.372   5.383   1.000 32.573 0 96  LEU A C   1 ? 
ATOM   716  O  O   . LEU A 1 96  ? -1.953  8.151   6.307   1.000 34.087 0 96  LEU A O   1 ? 
ATOM   717  C  CB  . LEU A 1 96  ? -3.922  6.520   4.451   1.000 30.368 0 96  LEU A CB  1 ? 
ATOM   718  C  CG  . LEU A 1 96  ? -4.887  5.350   4.227   1.000 33.142 0 96  LEU A CG  1 ? 
ATOM   719  C  CD1 . LEU A 1 96  ? -5.991  5.699   3.237   1.000 33.191 0 96  LEU A CD1 1 ? 
ATOM   720  C  CD2 . LEU A 1 96  ? -4.139  4.102   3.757   1.000 33.875 0 96  LEU A CD2 1 ? 
ATOM   721  N  N   . ASN A 1 97  ? -0.642  7.447   4.589   1.000 34.388 0 97  ASN A N   1 ? 
ATOM   722  C  CA  . ASN A 1 97  ? 0.421   8.441   4.741   1.000 40.370 0 97  ASN A CA  1 ? 
ATOM   723  C  C   . ASN A 1 97  ? 1.122   8.569   3.385   1.000 40.031 0 97  ASN A C   1 ? 
ATOM   724  O  O   . ASN A 1 97  ? 0.559   8.135   2.389   1.000 43.009 0 97  ASN A O   1 ? 
ATOM   725  C  CB  . ASN A 1 97  ? 1.340   8.113   5.929   1.000 41.406 0 97  ASN A CB  1 ? 
ATOM   726  C  CG  . ASN A 1 97  ? 1.962   6.727   5.889   1.000 43.635 0 97  ASN A CG  1 ? 
ATOM   727  O  OD1 . ASN A 1 97  ? 1.943   5.999   6.878   1.000 42.941 0 97  ASN A OD1 1 ? 
ATOM   728  N  ND2 . ASN A 1 97  ? 2.556   6.361   4.769   1.000 39.411 0 97  ASN A ND2 1 ? 
ATOM   729  N  N   . SER A 1 98  ? 2.335   9.141   3.324   1.000 38.798 0 98  SER A N   1 ? 
ATOM   730  C  CA  . SER A 1 98  ? 3.005   9.372   2.047   1.000 38.433 0 98  SER A CA  1 ? 
ATOM   731  C  C   . SER A 1 98  ? 3.474   8.061   1.415   1.000 37.688 0 98  SER A C   1 ? 
ATOM   732  O  O   . SER A 1 98  ? 3.601   7.961   0.192   1.000 39.482 0 98  SER A O   1 ? 
ATOM   733  C  CB  . SER A 1 98  ? 4.165   10.334  2.198   1.000 40.681 0 98  SER A CB  1 ? 
ATOM   734  O  OG  . SER A 1 98  ? 5.250   9.718   2.881   1.000 43.194 0 98  SER A OG  1 ? 
ATOM   735  N  N   . ARG A 1 99  ? 3.723   7.047   2.249   1.000 33.261 0 99  ARG A N   1 ? 
ATOM   736  C  CA  . ARG A 1 99  ? 4.302   5.789   1.794   1.000 31.477 0 99  ARG A CA  1 ? 
ATOM   737  C  C   . ARG A 1 99  ? 3.240   4.702   1.610   1.000 29.002 0 99  ARG A C   1 ? 
ATOM   738  O  O   . ARG A 1 99  ? 3.542   3.655   1.030   1.000 24.029 0 99  ARG A O   1 ? 
ATOM   739  C  CB  . ARG A 1 99  ? 5.346   5.336   2.818   1.000 36.580 0 99  ARG A CB  1 ? 
ATOM   740  C  CG  . ARG A 1 99  ? 6.407   6.394   3.077   1.000 42.465 0 99  ARG A CG  1 ? 
ATOM   741  C  CD  . ARG A 1 99  ? 7.624   5.833   3.774   1.000 48.104 0 99  ARG A CD  1 ? 
ATOM   742  N  NE  . ARG A 1 99  ? 8.823   6.609   3.481   1.000 54.956 0 99  ARG A NE  1 ? 
ATOM   743  C  CZ  . ARG A 1 99  ? 9.045   7.853   3.886   1.000 58.145 0 99  ARG A CZ  1 ? 
ATOM   744  N  NH1 . ARG A 1 99  ? 8.113   8.524   4.542   1.000 63.007 0 99  ARG A NH1 1 ? 
ATOM   745  N  NH2 . ARG A 1 99  ? 10.215  8.417   3.641   1.000 56.002 0 99  ARG A NH2 1 ? 
ATOM   746  N  N   . VAL A 1 100 ? 2.050   4.926   2.186   1.000 24.222 0 100 VAL A N   1 ? 
ATOM   747  C  CA  . VAL A 1 100 ? 0.924   4.004   2.120   1.000 23.338 0 100 VAL A CA  1 ? 
ATOM   748  C  C   . VAL A 1 100 ? -0.323  4.827   1.794   1.000 23.084 0 100 VAL A C   1 ? 
ATOM   749  O  O   . VAL A 1 100 ? -0.738  5.682   2.576   1.000 20.572 0 100 VAL A O   1 ? 
ATOM   750  C  CB  . VAL A 1 100 ? 0.760   3.195   3.415   1.000 24.731 0 100 VAL A CB  1 ? 
ATOM   751  C  CG1 . VAL A 1 100 ? -0.471  2.297   3.350   1.000 26.064 0 100 VAL A CG1 1 ? 
ATOM   752  C  CG2 . VAL A 1 100 ? 2.007   2.386   3.735   1.000 26.362 0 100 VAL A CG2 1 ? 
ATOM   753  N  N   . ALA A 1 101 ? -0.901  4.595   0.605   1.000 20.547 0 101 ALA A N   1 ? 
ATOM   754  C  CA  . ALA A 1 101 ? -1.987  5.424   0.099   1.000 19.856 0 101 ALA A CA  1 ? 
ATOM   755  C  C   . ALA A 1 101 ? -2.894  4.564   -0.779  1.000 19.438 0 101 ALA A C   1 ? 
ATOM   756  O  O   . ALA A 1 101 ? -2.406  3.582   -1.333  1.000 19.424 0 101 ALA A O   1 ? 
ATOM   757  C  CB  . ALA A 1 101 ? -1.432  6.586   -0.667  1.000 20.637 0 101 ALA A CB  1 ? 
ATOM   758  N  N   . SER A 1 102 ? -4.180  4.944   -0.901  1.000 17.681 0 102 SER A N   1 ? 
ATOM   759  C  CA  . SER A 1 102 ? -5.147  4.195   -1.703  1.000 19.236 0 102 SER A CA  1 ? 
ATOM   760  C  C   . SER A 1 102 ? -5.161  4.691   -3.152  1.000 18.267 0 102 SER A C   1 ? 
ATOM   761  O  O   . SER A 1 102 ? -4.795  5.817   -3.427  1.000 20.485 0 102 SER A O   1 ? 
ATOM   762  C  CB  . SER A 1 102 ? -6.532  4.261   -1.096  1.000 20.274 0 102 SER A CB  1 ? 
ATOM   763  O  OG  . SER A 1 102 ? -6.983  5.594   -1.010  1.000 22.483 0 102 SER A OG  1 ? 
ATOM   764  N  N   . ILE A 1 103 ? -5.522  3.811   -4.092  1.000 19.589 0 103 ILE A N   1 ? 
ATOM   765  C  CA  . ILE A 1 103 ? -5.687  4.161   -5.490  1.000 19.052 0 103 ILE A CA  1 ? 
ATOM   766  C  C   . ILE A 1 103 ? -7.183  4.163   -5.802  1.000 18.159 0 103 ILE A C   1 ? 
ATOM   767  O  O   . ILE A 1 103 ? -7.930  3.324   -5.304  1.000 18.358 0 103 ILE A O   1 ? 
ATOM   768  C  CB  . ILE A 1 103 ? -4.932  3.186   -6.428  1.000 20.173 0 103 ILE A CB  1 ? 
ATOM   769  C  CG1 . ILE A 1 103 ? -4.979  3.659   -7.884  1.000 20.472 0 103 ILE A CG1 1 ? 
ATOM   770  C  CG2 . ILE A 1 103 ? -5.470  1.779   -6.339  1.000 20.347 0 103 ILE A CG2 1 ? 
ATOM   771  C  CD1 . ILE A 1 103 ? -4.055  4.798   -8.128  1.000 24.323 0 103 ILE A CD1 1 ? 
ATOM   772  N  N   . SER A 1 104 ? -7.613  5.099   -6.644  1.000 19.078 0 104 SER A N   1 ? 
ATOM   773  C  CA  . SER A 1 104 ? -9.022  5.225   -6.980  1.000 20.177 0 104 SER A CA  1 ? 
ATOM   774  C  C   . SER A 1 104 ? -9.463  4.158   -7.972  1.000 19.451 0 104 SER A C   1 ? 
ATOM   775  O  O   . SER A 1 104 ? -8.722  3.805   -8.895  1.000 17.499 0 104 SER A O   1 ? 
ATOM   776  C  CB  . SER A 1 104 ? -9.313  6.582   -7.547  1.000 24.276 0 104 SER A CB  1 ? 
ATOM   777  O  OG  . SER A 1 104 ? -8.938  7.579   -6.613  1.000 32.354 0 104 SER A OG  1 ? 
ATOM   778  N  N   . LEU A 1 105 ? -10.721 3.743   -7.820  1.000 19.972 0 105 LEU A N   1 ? 
ATOM   779  C  CA  . LEU A 1 105 ? -11.394 2.953   -8.842  1.000 19.176 0 105 LEU A CA  1 ? 
ATOM   780  C  C   . LEU A 1 105 ? -11.767 3.840   -10.016 1.000 20.569 0 105 LEU A C   1 ? 
ATOM   781  O  O   . LEU A 1 105 ? -12.045 5.025   -9.819  1.000 20.999 0 105 LEU A O   1 ? 
ATOM   782  C  CB  . LEU A 1 105 ? -12.651 2.333   -8.212  1.000 21.463 0 105 LEU A CB  1 ? 
ATOM   783  C  CG  . LEU A 1 105 ? -12.380 1.256   -7.166  1.000 21.266 0 105 LEU A CG  1 ? 
ATOM   784  C  CD1 . LEU A 1 105 ? -13.671 0.709   -6.585  1.000 23.693 0 105 LEU A CD1 1 ? 
ATOM   785  C  CD2 . LEU A 1 105 ? -11.553 0.140   -7.775  1.000 23.170 0 105 LEU A CD2 1 ? 
ATOM   786  N  N   . PRO A 1 106 ? -11.903 3.279   -11.243 1.000 20.064 0 106 PRO A N   1 ? 
ATOM   787  C  CA  . PRO A 1 106 ? -12.294 4.073   -12.407 1.000 22.407 0 106 PRO A CA  1 ? 
ATOM   788  C  C   . PRO A 1 106 ? -13.804 4.301   -12.503 1.000 26.254 0 106 PRO A C   1 ? 
ATOM   789  O  O   . PRO A 1 106 ? -14.600 3.475   -12.050 1.000 25.435 0 106 PRO A O   1 ? 
ATOM   790  C  CB  . PRO A 1 106 ? -11.788 3.187   -13.541 1.000 21.226 0 106 PRO A CB  1 ? 
ATOM   791  C  CG  . PRO A 1 106 ? -12.083 1.796   -13.050 1.000 21.669 0 106 PRO A CG  1 ? 
ATOM   792  C  CD  . PRO A 1 106 ? -11.735 1.854   -11.571 1.000 20.883 0 106 PRO A CD  1 ? 
ATOM   793  N  N   . THR A 1 107 ? -14.184 5.466   -13.033 1.000 31.987 0 107 THR A N   1 ? 
ATOM   794  C  CA  . THR A 1 107 ? -15.573 5.761   -13.353 1.000 37.586 0 107 THR A CA  1 ? 
ATOM   795  C  C   . THR A 1 107 ? -15.832 5.393   -14.808 1.000 37.887 0 107 THR A C   1 ? 
ATOM   796  O  O   . THR A 1 107 ? -16.971 5.162   -15.202 1.000 41.894 0 107 THR A O   1 ? 
ATOM   797  C  CB  . THR A 1 107 ? -15.914 7.240   -13.129 1.000 41.564 0 107 THR A CB  1 ? 
ATOM   798  O  OG1 . THR A 1 107 ? -14.887 8.005   -13.756 1.000 42.710 0 107 THR A OG1 1 ? 
ATOM   799  C  CG2 . THR A 1 107 ? -16.010 7.618   -11.668 1.000 42.256 0 107 THR A CG2 1 ? 
ATOM   800  N  N   . SER A 1 108 ? -14.750 5.336   -15.578 1.000 34.875 0 108 SER A N   1 ? 
ATOM   801  C  CA  . SER A 1 108 ? -14.804 5.025   -16.989 1.000 32.078 0 108 SER A CA  1 ? 
ATOM   802  C  C   . SER A 1 108 ? -13.676 4.051   -17.333 1.000 31.878 0 108 SER A C   1 ? 
ATOM   803  O  O   . SER A 1 108 ? -12.656 4.033   -16.660 1.000 30.026 0 108 SER A O   1 ? 
ATOM   804  C  CB  . SER A 1 108 ? -14.738 6.317   -17.749 1.000 34.728 0 108 SER A CB  1 ? 
ATOM   805  O  OG  . SER A 1 108 ? -13.688 6.299   -18.686 1.000 38.924 0 108 SER A OG  1 ? 
ATOM   806  N  N   . CYS A 1 109 ? -13.895 3.205   -18.345 1.000 26.064 0 109 CYS A N   1 ? 
ATOM   807  C  CA  . CYS A 1 109 ? -12.869 2.318   -18.865 1.000 25.809 0 109 CYS A CA  1 ? 
ATOM   808  C  C   . CYS A 1 109 ? -11.819 3.130   -19.627 1.000 28.213 0 109 CYS A C   1 ? 
ATOM   809  O  O   . CYS A 1 109 ? -12.103 4.233   -20.067 1.000 29.364 0 109 CYS A O   1 ? 
ATOM   810  C  CB  . CYS A 1 109 ? -13.484 1.262   -19.775 1.000 23.901 0 109 CYS A CB  1 ? 
ATOM   811  S  SG  . CYS A 1 109 ? -14.734 0.269   -18.922 1.000 24.371 0 109 CYS A SG  1 ? 
ATOM   812  N  N   . ALA A 1 110 ? -10.601 2.606   -19.753 1.000 26.018 0 110 ALA A N   1 ? 
ATOM   813  C  CA  . ALA A 1 110 ? -9.511  3.369   -20.352 1.000 26.642 0 110 ALA A CA  1 ? 
ATOM   814  C  C   . ALA A 1 110 ? -9.376  3.036   -21.837 1.000 27.968 0 110 ALA A C   1 ? 
ATOM   815  O  O   . ALA A 1 110 ? -9.758  1.955   -22.275 1.000 32.204 0 110 ALA A O   1 ? 
ATOM   816  C  CB  . ALA A 1 110 ? -8.225  3.103   -19.616 1.000 29.164 0 110 ALA A CB  1 ? 
ATOM   817  N  N   . SER A 1 111 ? -8.826  3.986   -22.594 1.000 27.428 0 111 SER A N   1 ? 
ATOM   818  C  CA  . SER A 1 111 ? -8.765  3.927   -24.049 1.000 29.998 0 111 SER A CA  1 ? 
ATOM   819  C  C   . SER A 1 111 ? -7.536  3.150   -24.520 1.000 26.036 0 111 SER A C   1 ? 
ATOM   820  O  O   . SER A 1 111 ? -6.472  3.253   -23.923 1.000 24.107 0 111 SER A O   1 ? 
ATOM   821  C  CB  . SER A 1 111 ? -8.741  5.327   -24.619 1.000 31.748 0 111 SER A CB  1 ? 
ATOM   822  O  OG  . SER A 1 111 ? -9.934  6.041   -24.293 1.000 40.076 0 111 SER A OG  1 ? 
ATOM   823  N  N   . ALA A 1 112 ? -7.676  2.427   -25.638 1.000 25.264 0 112 ALA A N   1 ? 
ATOM   824  C  CA  . ALA A 1 112 ? -6.542  1.858   -26.345 1.000 24.849 0 112 ALA A CA  1 ? 
ATOM   825  C  C   . ALA A 1 112 ? -5.514  2.959   -26.548 1.000 24.012 0 112 ALA A C   1 ? 
ATOM   826  O  O   . ALA A 1 112 ? -5.895  4.116   -26.733 1.000 25.135 0 112 ALA A O   1 ? 
ATOM   827  C  CB  . ALA A 1 112 ? -6.976  1.284   -27.672 1.000 26.844 0 112 ALA A CB  1 ? 
ATOM   828  N  N   . GLY A 1 113 ? -4.233  2.602   -26.436 1.000 22.916 0 113 GLY A N   1 ? 
ATOM   829  C  CA  . GLY A 1 113 ? -3.140  3.552   -26.592 1.000 23.861 0 113 GLY A CA  1 ? 
ATOM   830  C  C   . GLY A 1 113 ? -2.719  4.228   -25.281 1.000 26.154 0 113 GLY A C   1 ? 
ATOM   831  O  O   . GLY A 1 113 ? -1.657  4.832   -25.214 1.000 27.135 0 113 GLY A O   1 ? 
ATOM   832  N  N   . THR A 1 114 ? -3.553  4.160   -24.237 1.000 26.307 0 114 THR A N   1 ? 
ATOM   833  C  CA  . THR A 1 114 ? -3.218  4.786   -22.965 1.000 25.083 0 114 THR A CA  1 ? 
ATOM   834  C  C   . THR A 1 114 ? -2.019  4.071   -22.337 1.000 23.502 0 114 THR A C   1 ? 
ATOM   835  O  O   . THR A 1 114 ? -1.977  2.850   -22.325 1.000 21.151 0 114 THR A O   1 ? 
ATOM   836  C  CB  . THR A 1 114 ? -4.430  4.779   -22.029 1.000 26.308 0 114 THR A CB  1 ? 
ATOM   837  O  OG1 . THR A 1 114 ? -5.505  5.473   -22.676 1.000 26.827 0 114 THR A OG1 1 ? 
ATOM   838  C  CG2 . THR A 1 114 ? -4.125  5.450   -20.703 1.000 25.767 0 114 THR A CG2 1 ? 
ATOM   839  N  N   . GLN A 1 115 ? -1.030  4.843   -21.865 1.000 24.562 0 115 GLN A N   1 ? 
ATOM   840  C  CA  . GLN A 1 115 ? 0.149   4.303   -21.206 1.000 26.161 0 115 GLN A CA  1 ? 
ATOM   841  C  C   . GLN A 1 115 ? -0.217  4.074   -19.737 1.000 23.325 0 115 GLN A C   1 ? 
ATOM   842  O  O   . GLN A 1 115 ? -0.842  4.930   -19.113 1.000 22.178 0 115 GLN A O   1 ? 
ATOM   843  C  CB  . GLN A 1 115 ? 1.326   5.285   -21.283 1.000 30.418 0 115 GLN A CB  1 ? 
ATOM   844  C  CG  . GLN A 1 115 ? 2.048   5.303   -22.621 1.000 35.510 0 115 GLN A CG  1 ? 
ATOM   845  C  CD  . GLN A 1 115 ? 2.717   3.984   -22.939 1.000 39.379 0 115 GLN A CD  1 ? 
ATOM   846  O  OE1 . GLN A 1 115 ? 3.365   3.364   -22.101 1.000 44.689 0 115 GLN A OE1 1 ? 
ATOM   847  N  NE2 . GLN A 1 115 ? 2.553   3.533   -24.169 1.000 48.509 0 115 GLN A NE2 1 ? 
ATOM   848  N  N   . CYS A 1 116 ? 0.096   2.894   -19.229 1.000 19.702 0 116 CYS A N   1 ? 
ATOM   849  C  CA  . CYS A 1 116 ? -0.271  2.530   -17.872 1.000 20.123 0 116 CYS A CA  1 ? 
ATOM   850  C  C   . CYS A 1 116 ? 0.989   2.122   -17.117 1.000 19.210 0 116 CYS A C   1 ? 
ATOM   851  O  O   . CYS A 1 116 ? 1.995   1.751   -17.721 1.000 17.097 0 116 CYS A O   1 ? 
ATOM   852  C  CB  . CYS A 1 116 ? -1.269  1.382   -17.872 1.000 21.557 0 116 CYS A CB  1 ? 
ATOM   853  S  SG  . CYS A 1 116 ? -2.769  1.734   -18.835 1.000 22.240 0 116 CYS A SG  1 ? 
ATOM   854  N  N   . LEU A 1 117 ? 0.893   2.143   -15.787 1.000 17.712 0 117 LEU A N   1 ? 
ATOM   855  C  CA  . LEU A 1 117 ? 1.988   1.741   -14.924 1.000 16.487 0 117 LEU A CA  1 ? 
ATOM   856  C  C   . LEU A 1 117 ? 1.626   0.411   -14.263 1.000 13.763 0 117 LEU A C   1 ? 
ATOM   857  O  O   . LEU A 1 117 ? 0.621   0.326   -13.566 1.000 13.188 0 117 LEU A O   1 ? 
ATOM   858  C  CB  . LEU A 1 117 ? 2.237   2.840   -13.884 1.000 18.531 0 117 LEU A CB  1 ? 
ATOM   859  C  CG  . LEU A 1 117 ? 3.312   2.516   -12.843 1.000 19.376 0 117 LEU A CG  1 ? 
ATOM   860  C  CD1 . LEU A 1 117 ? 4.704   2.470   -13.459 1.000 20.368 0 117 LEU A CD1 1 ? 
ATOM   861  C  CD2 . LEU A 1 117 ? 3.261   3.498   -11.691 1.000 20.805 0 117 LEU A CD2 1 ? 
ATOM   862  N  N   . ILE A 1 118 ? 2.482   -0.596  -14.481 1.000 13.821 0 118 ILE A N   1 ? 
ATOM   863  C  CA  . ILE A 1 118 ? 2.366   -1.935  -13.917 1.000 14.167 0 118 ILE A CA  1 ? 
ATOM   864  C  C   . ILE A 1 118 ? 3.564   -2.188  -13.015 1.000 14.428 0 118 ILE A C   1 ? 
ATOM   865  O  O   . ILE A 1 118 ? 4.684   -1.803  -13.350 1.000 15.085 0 118 ILE A O   1 ? 
ATOM   866  C  CB  . ILE A 1 118 ? 2.343   -2.981  -15.045 1.000 15.470 0 118 ILE A CB  1 ? 
ATOM   867  C  CG1 . ILE A 1 118 ? 1.384   -2.502  -16.131 1.000 16.124 0 118 ILE A CG1 1 ? 
ATOM   868  C  CG2 . ILE A 1 118 ? 2.002   -4.368  -14.511 1.000 16.188 0 118 ILE A CG2 1 ? 
ATOM   869  C  CD1 . ILE A 1 118 ? 1.303   -3.415  -17.292 1.000 16.438 0 118 ILE A CD1 1 ? 
ATOM   870  N  N   . SER A 1 119 ? 3.318   -2.802  -11.854 1.000 11.898 0 119 SER A N   1 ? 
ATOM   871  C  CA  . SER A 1 119 ? 4.378   -2.921  -10.853 1.000 12.398 0 119 SER A CA  1 ? 
ATOM   872  C  C   . SER A 1 119 ? 4.286   -4.257  -10.132 1.000 12.806 0 119 SER A C   1 ? 
ATOM   873  O  O   . SER A 1 119 ? 3.198   -4.870  -10.060 1.000 13.529 0 119 SER A O   1 ? 
ATOM   874  C  CB  . SER A 1 119 ? 4.359   -1.764  -9.874  1.000 13.347 0 119 SER A CB  1 ? 
ATOM   875  O  OG  . SER A 1 119 ? 3.058   -1.486  -9.380  1.000 12.783 0 119 SER A OG  1 ? 
ATOM   876  N  N   . GLY A 1 120 ? 5.452   -4.689  -9.622  1.000 12.971 0 120 GLY A N   1 ? 
ATOM   877  C  CA  . GLY A 1 120 ? 5.491   -5.879  -8.774  1.000 11.608 0 120 GLY A CA  1 ? 
ATOM   878  C  C   . GLY A 1 120 ? 6.890   -6.439  -8.505  1.000 12.520 0 120 GLY A C   1 ? 
ATOM   879  O  O   . GLY A 1 120 ? 7.917   -5.937  -8.978  1.000 12.474 0 120 GLY A O   1 ? 
ATOM   880  N  N   . TRP A 1 121 ? 6.880   -7.542  -7.731  1.000 12.799 0 121 TRP A N   1 ? 
ATOM   881  C  CA  . TRP A 1 121 ? 8.068   -8.241  -7.282  1.000 14.010 0 121 TRP A CA  1 ? 
ATOM   882  C  C   . TRP A 1 121 ? 8.237   -9.563  -8.019  1.000 14.615 0 121 TRP A C   1 ? 
ATOM   883  O  O   . TRP A 1 121 ? 8.967   -10.448 -7.563  1.000 16.445 0 121 TRP A O   1 ? 
ATOM   884  C  CB  . TRP A 1 121 ? 8.056   -8.470  -5.766  1.000 14.132 0 121 TRP A CB  1 ? 
ATOM   885  C  CG  . TRP A 1 121 ? 8.205   -7.240  -4.936  1.000 14.008 0 121 TRP A CG  1 ? 
ATOM   886  C  CD1 . TRP A 1 121 ? 9.379   -6.606  -4.611  1.000 14.086 0 121 TRP A CD1 1 ? 
ATOM   887  C  CD2 . TRP A 1 121 ? 7.144   -6.476  -4.329  1.000 14.801 0 121 TRP A CD2 1 ? 
ATOM   888  N  NE1 . TRP A 1 121 ? 9.116   -5.510  -3.839  1.000 16.022 0 121 TRP A NE1 1 ? 
ATOM   889  C  CE2 . TRP A 1 121 ? 7.762   -5.397  -3.657  1.000 14.805 0 121 TRP A CE2 1 ? 
ATOM   890  C  CE3 . TRP A 1 121 ? 5.751   -6.582  -4.277  1.000 12.771 0 121 TRP A CE3 1 ? 
ATOM   891  C  CZ2 . TRP A 1 121 ? 7.017   -4.492  -2.922  1.000 14.954 0 121 TRP A CZ2 1 ? 
ATOM   892  C  CZ3 . TRP A 1 121 ? 5.008   -5.662  -3.563  1.000 13.982 0 121 TRP A CZ3 1 ? 
ATOM   893  C  CH2 . TRP A 1 121 ? 5.655   -4.635  -2.877  1.000 14.321 0 121 TRP A CH2 1 ? 
ATOM   894  N  N   . GLY A 1 122 ? 7.587   -9.708  -9.178  1.000 14.769 0 122 GLY A N   1 ? 
ATOM   895  C  CA  . GLY A 1 122 ? 7.664   -10.958 -9.912  1.000 15.271 0 122 GLY A CA  1 ? 
ATOM   896  C  C   . GLY A 1 122 ? 8.981   -11.149 -10.679 1.000 15.604 0 122 GLY A C   1 ? 
ATOM   897  O  O   . GLY A 1 122 ? 9.912   -10.334 -10.660 1.000 14.002 0 122 GLY A O   1 ? 
ATOM   898  N  N   . ASN A 1 123 ? 9.055   -12.281 -11.381 1.000 16.275 0 123 ASN A N   1 ? 
ATOM   899  C  CA  . ASN A 1 123 ? 10.255  -12.683 -12.113 1.000 19.565 0 123 ASN A CA  1 ? 
ATOM   900  C  C   . ASN A 1 123 ? 10.668  -11.597 -13.098 1.000 20.339 0 123 ASN A C   1 ? 
ATOM   901  O  O   . ASN A 1 123 ? 9.811   -10.923 -13.668 1.000 17.527 0 123 ASN A O   1 ? 
ATOM   902  C  CB  . ASN A 1 123 ? 9.996   -13.995 -12.854 1.000 21.745 0 123 ASN A CB  1 ? 
ATOM   903  C  CG  . ASN A 1 123 ? 11.238  -14.678 -13.396 1.000 23.344 0 123 ASN A CG  1 ? 
ATOM   904  O  OD1 . ASN A 1 123 ? 12.365  -14.186 -13.288 1.000 27.186 0 123 ASN A OD1 1 ? 
ATOM   905  N  ND2 . ASN A 1 123 ? 11.018  -15.806 -14.033 1.000 26.122 0 123 ASN A ND2 1 ? 
ATOM   906  N  N   . THR A 1 124 ? 11.982  -11.391 -13.231 1.000 21.290 0 124 THR A N   1 ? 
ATOM   907  C  CA  . THR A 1 124 ? 12.515  -10.388 -14.141 1.000 23.206 0 124 THR A CA  1 ? 
ATOM   908  C  C   . THR A 1 124 ? 13.096  -11.012 -15.415 1.000 24.623 0 124 THR A C   1 ? 
ATOM   909  O  O   . THR A 1 124 ? 13.642  -10.266 -16.221 1.000 27.010 0 124 THR A O   1 ? 
ATOM   910  C  CB  . THR A 1 124 ? 13.559  -9.501  -13.445 1.000 22.784 0 124 THR A CB  1 ? 
ATOM   911  O  OG1 . THR A 1 124 ? 14.699  -10.298 -13.116 1.000 21.616 0 124 THR A OG1 1 ? 
ATOM   912  C  CG2 . THR A 1 124 ? 13.014  -8.831  -12.200 1.000 22.665 0 124 THR A CG2 1 ? 
ATOM   913  N  N   . LYS A 1 125 ? 12.979  -12.338 -15.617 1.000 28.111 0 125 LYS A N   1 ? 
ATOM   914  C  CA  . LYS A 1 125 ? 13.513  -12.956 -16.824 1.000 30.464 0 125 LYS A CA  1 ? 
ATOM   915  C  C   . LYS A 1 125 ? 12.413  -13.651 -17.639 1.000 30.669 0 125 LYS A C   1 ? 
ATOM   916  O  O   . LYS A 1 125 ? 11.509  -14.269 -17.090 1.000 30.771 0 125 LYS A O   1 ? 
ATOM   917  C  CB  . LYS A 1 125 ? 14.648  -13.908 -16.438 1.000 31.917 0 125 LYS A CB  1 ? 
ATOM   918  C  CG  . LYS A 1 125 ? 15.919  -13.237 -15.927 1.000 33.750 0 125 LYS A CG  1 ? 
ATOM   919  C  CD  . LYS A 1 125 ? 17.055  -14.246 -15.813 1.000 42.592 0 125 LYS A CD  1 ? 
ATOM   920  C  CE  . LYS A 1 125 ? 18.249  -13.796 -14.994 1.000 47.232 0 125 LYS A CE  1 ? 
ATOM   921  N  NZ  . LYS A 1 125 ? 19.037  -12.749 -15.686 1.000 49.637 0 125 LYS A NZ  1 ? 
ATOM   922  N  N   . SER A 1 126 ? 12.487  -13.518 -18.973 1.000 36.602 0 126 SER A N   1 ? 
ATOM   923  C  CA  . SER A 1 126 ? 11.582  -14.180 -19.912 1.000 37.369 0 126 SER A CA  1 ? 
ATOM   924  C  C   . SER A 1 126 ? 12.010  -15.621 -20.176 1.000 39.230 0 126 SER A C   1 ? 
ATOM   925  O  O   . SER A 1 126 ? 11.232  -16.418 -20.708 1.000 41.654 0 126 SER A O   1 ? 
ATOM   926  C  CB  . SER A 1 126 ? 11.510  -13.425 -21.219 1.000 41.543 0 126 SER A CB  1 ? 
ATOM   927  O  OG  . SER A 1 126 ? 12.804  -13.234 -21.775 1.000 38.500 0 126 SER A OG  1 ? 
ATOM   928  N  N   . SER A 1 127 ? 13.279  -15.907 -19.862 1.000 38.452 0 127 SER A N   1 ? 
ATOM   929  C  CA  . SER A 1 127 ? 13.826  -17.256 -19.805 1.000 41.668 0 127 SER A CA  1 ? 
ATOM   930  C  C   . SER A 1 127 ? 14.662  -17.395 -18.532 1.000 40.997 0 127 SER A C   1 ? 
ATOM   931  O  O   . SER A 1 127 ? 15.540  -16.582 -18.266 1.000 43.789 0 127 SER A O   1 ? 
ATOM   932  C  CB  . SER A 1 127 ? 14.653  -17.581 -21.040 1.000 43.184 0 127 SER A CB  1 ? 
ATOM   933  O  OG  . SER A 1 127 ? 14.020  -18.579 -21.836 1.000 42.397 0 127 SER A OG  1 ? 
ATOM   934  N  N   . GLY A 1 128 ? 14.366  -18.411 -17.728 1.000 39.713 0 128 GLY A N   1 ? 
ATOM   935  C  CA  . GLY A 1 128 ? 15.071  -18.591 -16.475 1.000 39.842 0 128 GLY A CA  1 ? 
ATOM   936  C  C   . GLY A 1 128 ? 14.393  -17.797 -15.367 1.000 37.208 0 128 GLY A C   1 ? 
ATOM   937  O  O   . GLY A 1 128 ? 13.334  -17.208 -15.577 1.000 37.746 0 128 GLY A O   1 ? 
ATOM   938  N  N   . THR A 1 129 ? 15.028  -17.775 -14.196 1.000 34.530 0 129 THR A N   1 ? 
ATOM   939  C  CA  . THR A 1 129 ? 14.378  -17.281 -12.997 1.000 35.058 0 129 THR A CA  1 ? 
ATOM   940  C  C   . THR A 1 129 ? 15.330  -16.371 -12.237 1.000 33.490 0 129 THR A C   1 ? 
ATOM   941  O  O   . THR A 1 129 ? 16.407  -16.805 -11.821 1.000 31.308 0 129 THR A O   1 ? 
ATOM   942  C  CB  . THR A 1 129 ? 13.893  -18.441 -12.121 1.000 35.479 0 129 THR A CB  1 ? 
ATOM   943  O  OG1 . THR A 1 129 ? 12.930  -19.133 -12.912 1.000 37.678 0 129 THR A OG1 1 ? 
ATOM   944  C  CG2 . THR A 1 129 ? 13.259  -18.010 -10.818 1.000 37.362 0 129 THR A CG2 1 ? 
ATOM   945  N  N   . SER A 1 130 ? 14.886  -15.117 -12.046 1.000 29.676 0 130 SER A N   1 ? 
ATOM   946  C  CA  . SER A 1 130 ? 15.531  -14.216 -11.114 1.000 28.959 0 130 SER A CA  1 ? 
ATOM   947  C  C   . SER A 1 130 ? 14.502  -13.273 -10.498 1.000 26.655 0 130 SER A C   1 ? 
ATOM   948  O  O   . SER A 1 130 ? 13.959  -12.427 -11.198 1.000 27.259 0 130 SER A O   1 ? 
ATOM   949  C  CB  . SER A 1 130 ? 16.635  -13.473 -11.810 1.000 31.165 0 130 SER A CB  1 ? 
ATOM   950  O  OG  . SER A 1 130 ? 17.197  -12.513 -10.952 1.000 32.890 0 130 SER A OG  1 ? 
ATOM   951  N  N   . TYR A 1 131 ? 14.256  -13.423 -9.190  1.000 23.605 0 131 TYR A N   1 ? 
ATOM   952  C  CA  . TYR A 1 131 ? 13.327  -12.558 -8.477  1.000 26.640 0 131 TYR A CA  1 ? 
ATOM   953  C  C   . TYR A 1 131 ? 14.079  -11.389 -7.853  1.000 27.138 0 131 TYR A C   1 ? 
ATOM   954  O  O   . TYR A 1 131 ? 15.169  -11.556 -7.307  1.000 27.053 0 131 TYR A O   1 ? 
ATOM   955  C  CB  . TYR A 1 131 ? 12.544  -13.368 -7.440  1.000 27.110 0 131 TYR A CB  1 ? 
ATOM   956  C  CG  . TYR A 1 131 ? 11.529  -14.271 -8.088  1.000 28.070 0 131 TYR A CG  1 ? 
ATOM   957  C  CD1 . TYR A 1 131 ? 11.885  -15.509 -8.607  1.000 27.347 0 131 TYR A CD1 1 ? 
ATOM   958  C  CD2 . TYR A 1 131 ? 10.228  -13.839 -8.277  1.000 29.753 0 131 TYR A CD2 1 ? 
ATOM   959  C  CE1 . TYR A 1 131 ? 10.953  -16.324 -9.234  1.000 30.151 0 131 TYR A CE1 1 ? 
ATOM   960  C  CE2 . TYR A 1 131 ? 9.295   -14.630 -8.929  1.000 30.176 0 131 TYR A CE2 1 ? 
ATOM   961  C  CZ  . TYR A 1 131 ? 9.659   -15.872 -9.409  1.000 31.447 0 131 TYR A CZ  1 ? 
ATOM   962  O  OH  . TYR A 1 131 ? 8.720   -16.654 -10.033 1.000 35.473 0 131 TYR A OH  1 ? 
ATOM   963  N  N   . PRO A 1 132 ? 13.497  -10.175 -7.894  1.000 24.563 0 132 PRO A N   1 ? 
ATOM   964  C  CA  . PRO A 1 132 ? 14.102  -8.994  -7.295  1.000 24.488 0 132 PRO A CA  1 ? 
ATOM   965  C  C   . PRO A 1 132 ? 13.657  -8.852  -5.845  1.000 23.801 0 132 PRO A C   1 ? 
ATOM   966  O  O   . PRO A 1 132 ? 12.639  -9.410  -5.432  1.000 24.436 0 132 PRO A O   1 ? 
ATOM   967  C  CB  . PRO A 1 132 ? 13.501  -7.888  -8.174  1.000 24.797 0 132 PRO A CB  1 ? 
ATOM   968  C  CG  . PRO A 1 132 ? 12.079  -8.366  -8.408  1.000 24.096 0 132 PRO A CG  1 ? 
ATOM   969  C  CD  . PRO A 1 132 ? 12.192  -9.876  -8.505  1.000 24.740 0 132 PRO A CD  1 ? 
ATOM   970  N  N   . ASP A 1 133 ? 14.392  -8.055  -5.084  1.000 24.536 0 133 ASP A N   1 ? 
ATOM   971  C  CA  . ASP A 1 133 ? 13.981  -7.762  -3.726  1.000 24.908 0 133 ASP A CA  1 ? 
ATOM   972  C  C   . ASP A 1 133 ? 13.220  -6.429  -3.682  1.000 22.769 0 133 ASP A C   1 ? 
ATOM   973  O  O   . ASP A 1 133 ? 12.329  -6.290  -2.845  1.000 19.625 0 133 ASP A O   1 ? 
ATOM   974  C  CB  . ASP A 1 133 ? 15.150  -7.936  -2.756  1.000 28.134 0 133 ASP A CB  1 ? 
ATOM   975  C  CG  . ASP A 1 133 ? 16.359  -7.054  -3.015  1.000 33.654 0 133 ASP A CG  1 ? 
ATOM   976  O  OD1 . ASP A 1 133 ? 16.361  -6.345  -4.045  1.000 33.096 0 133 ASP A OD1 1 ? 
ATOM   977  O  OD2 . ASP A 1 133 ? 17.319  -7.109  -2.189  1.000 38.031 0 133 ASP A OD2 1 ? 
ATOM   978  N  N   . VAL A 1 134 ? 13.502  -5.500  -4.621  1.000 19.919 0 134 VAL A N   1 ? 
ATOM   979  C  CA  . VAL A 1 134 ? 12.890  -4.176  -4.628  1.000 19.334 0 134 VAL A CA  1 ? 
ATOM   980  C  C   . VAL A 1 134 ? 11.824  -4.103  -5.725  1.000 18.958 0 134 VAL A C   1 ? 
ATOM   981  O  O   . VAL A 1 134 ? 11.883  -4.847  -6.700  1.000 17.957 0 134 VAL A O   1 ? 
ATOM   982  C  CB  . VAL A 1 134 ? 13.948  -3.061  -4.786  1.000 21.942 0 134 VAL A CB  1 ? 
ATOM   983  C  CG1 . VAL A 1 134 ? 14.930  -3.018  -3.620  1.000 22.908 0 134 VAL A CG1 1 ? 
ATOM   984  C  CG2 . VAL A 1 134 ? 14.700  -3.186  -6.104  1.000 24.441 0 134 VAL A CG2 1 ? 
ATOM   985  N  N   . LEU A 1 135 ? 10.839  -3.207  -5.544  1.000 17.072 0 135 LEU A N   1 ? 
ATOM   986  C  CA  . LEU A 1 135 ? 9.678   -3.140  -6.420  1.000 16.790 0 135 LEU A CA  1 ? 
ATOM   987  C  C   . LEU A 1 135 ? 10.111  -2.663  -7.808  1.000 17.017 0 135 LEU A C   1 ? 
ATOM   988  O  O   . LEU A 1 135 ? 10.777  -1.623  -7.935  1.000 16.481 0 135 LEU A O   1 ? 
ATOM   989  C  CB  . LEU A 1 135 ? 8.649   -2.186  -5.786  1.000 18.113 0 135 LEU A CB  1 ? 
ATOM   990  C  CG  . LEU A 1 135 ? 7.295   -2.044  -6.483  1.000 18.759 0 135 LEU A CG  1 ? 
ATOM   991  C  CD1 . LEU A 1 135 ? 6.498   -3.344  -6.437  1.000 18.762 0 135 LEU A CD1 1 ? 
ATOM   992  C  CD2 . LEU A 1 135 ? 6.468   -0.914  -5.882  1.000 19.030 0 135 LEU A CD2 1 ? 
ATOM   993  N  N   . LYS A 1 136 ? 9.635   -3.375  -8.840  1.000 15.498 0 136 LYS A N   1 ? 
ATOM   994  C  CA  . LYS A 1 136 ? 9.926   -3.031  -10.230 1.000 15.694 0 136 LYS A CA  1 ? 
ATOM   995  C  C   . LYS A 1 136 ? 8.669   -2.479  -10.898 1.000 16.692 0 136 LYS A C   1 ? 
ATOM   996  O  O   . LYS A 1 136 ? 7.558   -2.801  -10.516 1.000 12.455 0 136 LYS A O   1 ? 
ATOM   997  C  CB  . LYS A 1 136 ? 10.396  -4.235  -11.035 1.000 16.867 0 136 LYS A CB  1 ? 
ATOM   998  C  CG  . LYS A 1 136 ? 11.640  -4.935  -10.514 1.000 18.593 0 136 LYS A CG  1 ? 
ATOM   999  C  CD  . LYS A 1 136 ? 12.856  -4.030  -10.559 1.000 20.853 0 136 LYS A CD  1 ? 
ATOM   1000 C  CE  . LYS A 1 136 ? 14.132  -4.703  -10.092 1.000 25.209 0 136 LYS A CE  1 ? 
ATOM   1001 N  NZ  . LYS A 1 136 ? 15.285  -3.798  -10.331 1.000 26.858 0 136 LYS A NZ  1 ? 
ATOM   1002 N  N   . CYS A 1 137 ? 8.891   -1.621  -11.892 1.000 15.565 0 137 CYS A N   1 ? 
ATOM   1003 C  CA  . CYS A 1 137 ? 7.854   -0.860  -12.568 1.000 16.735 0 137 CYS A CA  1 ? 
ATOM   1004 C  C   . CYS A 1 137 ? 8.031   -1.034  -14.074 1.000 16.674 0 137 CYS A C   1 ? 
ATOM   1005 O  O   . CYS A 1 137 ? 9.117   -1.364  -14.569 1.000 15.999 0 137 CYS A O   1 ? 
ATOM   1006 C  CB  . CYS A 1 137 ? 7.949   0.616   -12.236 1.000 14.835 0 137 CYS A CB  1 ? 
ATOM   1007 S  SG  . CYS A 1 137 ? 7.137   1.153   -10.706 1.000 16.370 0 137 CYS A SG  1 ? 
ATOM   1008 N  N   . LEU A 1 138 ? 6.906   -0.906  -14.780 1.000 15.995 0 138 LEU A N   1 ? 
ATOM   1009 C  CA  . LEU A 1 138 ? 6.888   -0.935  -16.225 1.000 15.412 0 138 LEU A CA  1 ? 
ATOM   1010 C  C   . LEU A 1 138 ? 5.794   0.016   -16.715 1.000 15.804 0 138 LEU A C   1 ? 
ATOM   1011 O  O   . LEU A 1 138 ? 4.672   -0.030  -16.244 1.000 15.454 0 138 LEU A O   1 ? 
ATOM   1012 C  CB  . LEU A 1 138 ? 6.599   -2.361  -16.681 1.000 15.886 0 138 LEU A CB  1 ? 
ATOM   1013 C  CG  . LEU A 1 138 ? 6.552   -2.602  -18.182 1.000 18.304 0 138 LEU A CG  1 ? 
ATOM   1014 C  CD1 . LEU A 1 138 ? 7.959   -2.509  -18.734 1.000 19.771 0 138 LEU A CD1 1 ? 
ATOM   1015 C  CD2 . LEU A 1 138 ? 5.948   -3.985  -18.449 1.000 18.758 0 138 LEU A CD2 1 ? 
ATOM   1016 N  N   . LYS A 1 139 ? 6.109   0.791   -17.758 1.000 16.583 0 139 LYS A N   1 ? 
ATOM   1017 C  CA  . LYS A 1 139 ? 5.117   1.532   -18.512 1.000 18.542 0 139 LYS A CA  1 ? 
ATOM   1018 C  C   . LYS A 1 139 ? 4.797   0.740   -19.764 1.000 18.226 0 139 LYS A C   1 ? 
ATOM   1019 O  O   . LYS A 1 139 ? 5.712   0.301   -20.462 1.000 18.073 0 139 LYS A O   1 ? 
ATOM   1020 C  CB  . LYS A 1 139 ? 5.644   2.916   -18.867 1.000 20.582 0 139 LYS A CB  1 ? 
ATOM   1021 C  CG  . LYS A 1 139 ? 5.924   3.763   -17.634 1.000 24.977 0 139 LYS A CG  1 ? 
ATOM   1022 C  CD  . LYS A 1 139 ? 5.495   5.171   -17.853 1.000 29.686 0 139 LYS A CD  1 ? 
ATOM   1023 C  CE  . LYS A 1 139 ? 5.757   6.095   -16.690 1.000 29.437 0 139 LYS A CE  1 ? 
ATOM   1024 N  NZ  . LYS A 1 139 ? 6.131   7.406   -17.253 1.000 29.585 0 139 LYS A NZ  1 ? 
ATOM   1025 N  N   . ALA A 1 140 ? 3.497   0.545   -19.991 1.000 19.696 0 140 ALA A N   1 ? 
ATOM   1026 C  CA  . ALA A 1 140 ? 3.015   -0.237  -21.116 1.000 20.018 0 140 ALA A CA  1 ? 
ATOM   1027 C  C   . ALA A 1 140 ? 1.684   0.308   -21.616 1.000 19.780 0 140 ALA A C   1 ? 
ATOM   1028 O  O   . ALA A 1 140 ? 0.818   0.657   -20.822 1.000 20.630 0 140 ALA A O   1 ? 
ATOM   1029 C  CB  . ALA A 1 140 ? 2.862   -1.669  -20.689 1.000 21.228 0 140 ALA A CB  1 ? 
ATOM   1030 N  N   . PRO A 1 141 ? 1.439   0.311   -22.947 1.000 19.421 0 141 PRO A N   1 ? 
ATOM   1031 C  CA  . PRO A 1 141 ? 0.163   0.748   -23.482 1.000 19.376 0 141 PRO A CA  1 ? 
ATOM   1032 C  C   . PRO A 1 141 ? -0.894  -0.347  -23.481 1.000 18.439 0 141 PRO A C   1 ? 
ATOM   1033 O  O   . PRO A 1 141 ? -0.555  -1.509  -23.641 1.000 17.995 0 141 PRO A O   1 ? 
ATOM   1034 C  CB  . PRO A 1 141 ? 0.494   1.105   -24.935 1.000 19.093 0 141 PRO A CB  1 ? 
ATOM   1035 C  CG  . PRO A 1 141 ? 1.616   0.179   -25.300 1.000 19.256 0 141 PRO A CG  1 ? 
ATOM   1036 C  CD  . PRO A 1 141 ? 2.408   -0.000  -24.013 1.000 18.884 0 141 PRO A CD  1 ? 
ATOM   1037 N  N   . ILE A 1 142 ? -2.163  0.074   -23.408 1.000 19.992 0 142 ILE A N   1 ? 
ATOM   1038 C  CA  . ILE A 1 142 ? -3.309  -0.793  -23.634 1.000 19.646 0 142 ILE A CA  1 ? 
ATOM   1039 C  C   . ILE A 1 142 ? -3.406  -1.025  -25.140 1.000 19.710 0 142 ILE A C   1 ? 
ATOM   1040 O  O   . ILE A 1 142 ? -3.320  -0.061  -25.896 1.000 18.985 0 142 ILE A O   1 ? 
ATOM   1041 C  CB  . ILE A 1 142 ? -4.612  -0.159  -23.108 1.000 20.023 0 142 ILE A CB  1 ? 
ATOM   1042 C  CG1 . ILE A 1 142 ? -4.597  0.030   -21.584 1.000 21.933 0 142 ILE A CG1 1 ? 
ATOM   1043 C  CG2 . ILE A 1 142 ? -5.825  -0.980  -23.559 1.000 19.660 0 142 ILE A CG2 1 ? 
ATOM   1044 C  CD1 . ILE A 1 142 ? -5.731  0.872   -21.052 1.000 23.506 0 142 ILE A CD1 1 ? 
ATOM   1045 N  N   . LEU A 1 143 ? -3.476  -2.289  -25.543 1.000 21.153 0 143 LEU A N   1 ? 
ATOM   1046 C  CA  . LEU A 1 143 ? -3.539  -2.664  -26.951 1.000 22.858 0 143 LEU A CA  1 ? 
ATOM   1047 C  C   . LEU A 1 143 ? -5.007  -2.716  -27.388 1.000 23.432 0 143 LEU A C   1 ? 
ATOM   1048 O  O   . LEU A 1 143 ? -5.925  -2.891  -26.578 1.000 24.071 0 143 LEU A O   1 ? 
ATOM   1049 C  CB  . LEU A 1 143 ? -2.824  -4.009  -27.127 1.000 23.804 0 143 LEU A CB  1 ? 
ATOM   1050 C  CG  . LEU A 1 143 ? -1.345  -4.017  -26.732 1.000 25.088 0 143 LEU A CG  1 ? 
ATOM   1051 C  CD1 . LEU A 1 143 ? -0.791  -5.428  -26.667 1.000 25.939 0 143 LEU A CD1 1 ? 
ATOM   1052 C  CD2 . LEU A 1 143 ? -0.531  -3.162  -27.695 1.000 28.853 0 143 LEU A CD2 1 ? 
ATOM   1053 N  N   . SER A 1 144 ? -5.238  -2.543  -28.697 1.000 23.215 0 144 SER A N   1 ? 
ATOM   1054 C  CA  . SER A 1 144 ? -6.584  -2.615  -29.237 1.000 24.521 0 144 SER A CA  1 ? 
ATOM   1055 C  C   . SER A 1 144 ? -7.147  -4.003  -28.960 1.000 23.969 0 144 SER A C   1 ? 
ATOM   1056 O  O   . SER A 1 144 ? -6.369  -4.947  -28.862 1.000 24.229 0 144 SER A O   1 ? 
ATOM   1057 C  CB  . SER A 1 144 ? -6.584  -2.366  -30.721 1.000 23.310 0 144 SER A CB  1 ? 
ATOM   1058 O  OG  . SER A 1 144 ? -5.813  -3.382  -31.357 1.000 23.693 0 144 SER A OG  1 ? 
ATOM   1059 N  N   . ASP A 1 145 ? -8.476  -4.084  -28.914 1.000 24.420 0 145 ASP A N   1 ? 
ATOM   1060 C  CA  . ASP A 1 145 ? -9.245  -5.316  -28.791 1.000 28.709 0 145 ASP A CA  1 ? 
ATOM   1061 C  C   . ASP A 1 145 ? -8.811  -6.316  -29.848 1.000 28.356 0 145 ASP A C   1 ? 
ATOM   1062 O  O   . ASP A 1 145 ? -8.613  -7.492  -29.557 1.000 26.236 0 145 ASP A O   1 ? 
ATOM   1063 C  CB  . ASP A 1 145 ? -10.733 -5.138  -29.110 1.000 34.031 0 145 ASP A CB  1 ? 
ATOM   1064 C  CG  . ASP A 1 145 ? -11.567 -4.387  -28.086 1.000 40.467 0 145 ASP A CG  1 ? 
ATOM   1065 O  OD1 . ASP A 1 145 ? -11.045 -4.111  -26.977 1.000 43.124 0 145 ASP A OD1 1 ? 
ATOM   1066 O  OD2 . ASP A 1 145 ? -12.747 -4.073  -28.418 1.000 46.506 0 145 ASP A OD2 1 ? 
ATOM   1067 N  N   . SER A 1 146 ? -8.715  -5.833  -31.089 1.000 28.216 0 146 SER A N   1 ? 
ATOM   1068 C  CA  . SER A 1 146 ? -8.481  -6.719  -32.211 1.000 30.160 0 146 SER A CA  1 ? 
ATOM   1069 C  C   . SER A 1 146 ? -7.093  -7.352  -32.105 1.000 28.045 0 146 SER A C   1 ? 
ATOM   1070 O  O   . SER A 1 146 ? -6.955  -8.563  -32.305 1.000 27.293 0 146 SER A O   1 ? 
ATOM   1071 C  CB  . SER A 1 146 ? -8.724  -6.014  -33.530 1.000 32.864 0 146 SER A CB  1 ? 
ATOM   1072 O  OG  . SER A 1 146 ? -7.623  -5.188  -33.854 1.000 38.052 0 146 SER A OG  1 ? 
ATOM   1073 N  N   . SER A 1 147 ? -6.063  -6.575  -31.719 1.000 25.882 0 147 SER A N   1 ? 
ATOM   1074 C  CA  . SER A 1 147 ? -4.741  -7.155  -31.553 1.000 26.662 0 147 SER A CA  1 ? 
ATOM   1075 C  C   . SER A 1 147 ? -4.634  -8.042  -30.298 1.000 23.748 0 147 SER A C   1 ? 
ATOM   1076 O  O   . SER A 1 147 ? -3.827  -8.980  -30.283 1.000 22.164 0 147 SER A O   1 ? 
ATOM   1077 C  CB  . SER A 1 147 ? -3.664  -6.100  -31.623 1.000 29.763 0 147 SER A CB  1 ? 
ATOM   1078 O  OG  . SER A 1 147 ? -3.477  -5.480  -30.367 1.000 38.767 0 147 SER A OG  1 ? 
ATOM   1079 N  N   . CYS A 1 148 ? -5.452  -7.781  -29.268 1.000 21.615 0 148 CYS A N   1 ? 
ATOM   1080 C  CA  . CYS A 1 148 ? -5.546  -8.650  -28.090 1.000 21.822 0 148 CYS A CA  1 ? 
ATOM   1081 C  C   . CYS A 1 148 ? -6.121  -10.023 -28.469 1.000 22.745 0 148 CYS A C   1 ? 
ATOM   1082 O  O   . CYS A 1 148 ? -5.540  -11.087 -28.183 1.000 22.822 0 148 CYS A O   1 ? 
ATOM   1083 C  CB  . CYS A 1 148 ? -6.444  -8.031  -27.016 1.000 20.400 0 148 CYS A CB  1 ? 
ATOM   1084 S  SG  . CYS A 1 148 ? -6.263  -8.827  -25.396 1.000 19.978 0 148 CYS A SG  1 ? 
ATOM   1085 N  N   . LYS A 1 149 ? -7.258  -9.982  -29.178 1.000 23.078 0 149 LYS A N   1 ? 
ATOM   1086 C  CA  . LYS A 1 149 ? -7.972  -11.176 -29.595 1.000 25.920 0 149 LYS A CA  1 ? 
ATOM   1087 C  C   . LYS A 1 149 ? -7.166  -11.968 -30.628 1.000 25.810 0 149 LYS A C   1 ? 
ATOM   1088 O  O   . LYS A 1 149 ? -7.251  -13.190 -30.642 1.000 27.391 0 149 LYS A O   1 ? 
ATOM   1089 C  CB  . LYS A 1 149 ? -9.372  -10.788 -30.081 1.000 29.507 0 149 LYS A CB  1 ? 
ATOM   1090 C  CG  . LYS A 1 149 ? -10.281 -10.280 -28.975 1.000 31.975 0 149 LYS A CG  1 ? 
ATOM   1091 C  CD  . LYS A 1 149 ? -11.611 -9.738  -29.432 1.000 36.583 0 149 LYS A CD  1 ? 
ATOM   1092 C  CE  . LYS A 1 149 ? -12.281 -8.923  -28.341 1.000 44.033 0 149 LYS A CE  1 ? 
ATOM   1093 N  NZ  . LYS A 1 149 ? -13.750 -8.809  -28.532 1.000 46.541 0 149 LYS A NZ  1 ? 
ATOM   1094 N  N   . SER A 1 150 ? -6.395  -11.281 -31.490 1.000 25.660 0 150 SER A N   1 ? 
ATOM   1095 C  CA  . SER A 1 150 ? -5.505  -11.961 -32.429 1.000 27.017 0 150 SER A CA  1 ? 
ATOM   1096 C  C   . SER A 1 150 ? -4.356  -12.677 -31.719 1.000 26.515 0 150 SER A C   1 ? 
ATOM   1097 O  O   . SER A 1 150 ? -3.871  -13.683 -32.208 1.000 27.860 0 150 SER A O   1 ? 
ATOM   1098 C  CB  . SER A 1 150 ? -4.940  -11.026 -33.480 1.000 30.175 0 150 SER A CB  1 ? 
ATOM   1099 O  OG  . SER A 1 150 ? -5.977  -10.514 -34.313 1.000 36.383 0 150 SER A OG  1 ? 
ATOM   1100 N  N   . ALA A 1 151 ? -3.843  -12.106 -30.623 1.000 24.947 0 151 ALA A N   1 ? 
ATOM   1101 C  CA  . ALA A 1 151 ? -2.724  -12.686 -29.902 1.000 23.595 0 151 ALA A CA  1 ? 
ATOM   1102 C  C   . ALA A 1 151 ? -3.168  -13.961 -29.176 1.000 22.769 0 151 ALA A C   1 ? 
ATOM   1103 O  O   . ALA A 1 151 ? -2.369  -14.895 -29.073 1.000 23.504 0 151 ALA A O   1 ? 
ATOM   1104 C  CB  . ALA A 1 151 ? -2.116  -11.669 -28.944 1.000 22.907 0 151 ALA A CB  1 ? 
ATOM   1105 N  N   . TYR A 1 152 ? -4.424  -13.977 -28.683 1.000 20.692 0 152 TYR A N   1 ? 
ATOM   1106 C  CA  . TYR A 1 152 ? -4.962  -15.066 -27.866 1.000 20.062 0 152 TYR A CA  1 ? 
ATOM   1107 C  C   . TYR A 1 152 ? -6.340  -15.483 -28.388 1.000 22.405 0 152 TYR A C   1 ? 
ATOM   1108 O  O   . TYR A 1 152 ? -7.370  -15.288 -27.727 1.000 20.072 0 152 TYR A O   1 ? 
ATOM   1109 C  CB  . TYR A 1 152 ? -5.022  -14.649 -26.394 1.000 20.143 0 152 TYR A CB  1 ? 
ATOM   1110 C  CG  . TYR A 1 152 ? -3.715  -14.324 -25.724 1.000 19.188 0 152 TYR A CG  1 ? 
ATOM   1111 C  CD1 . TYR A 1 152 ? -2.886  -15.334 -25.269 1.000 18.456 0 152 TYR A CD1 1 ? 
ATOM   1112 C  CD2 . TYR A 1 152 ? -3.302  -13.016 -25.506 1.000 19.375 0 152 TYR A CD2 1 ? 
ATOM   1113 C  CE1 . TYR A 1 152 ? -1.682  -15.078 -24.646 1.000 17.696 0 152 TYR A CE1 1 ? 
ATOM   1114 C  CE2 . TYR A 1 152 ? -2.098  -12.739 -24.878 1.000 19.163 0 152 TYR A CE2 1 ? 
ATOM   1115 C  CZ  . TYR A 1 152 ? -1.291  -13.772 -24.431 1.000 18.815 0 152 TYR A CZ  1 ? 
ATOM   1116 O  OH  . TYR A 1 152 ? -0.080  -13.564 -23.837 1.000 20.730 0 152 TYR A OH  1 ? 
ATOM   1117 N  N   . PRO A 1 153 ? -6.384  -16.082 -29.609 1.000 23.803 0 153 PRO A N   1 ? 
ATOM   1118 C  CA  . PRO A 1 153 ? -7.630  -16.518 -30.233 1.000 25.013 0 153 PRO A CA  1 ? 
ATOM   1119 C  C   . PRO A 1 153 ? -8.476  -17.426 -29.360 1.000 21.753 0 153 PRO A C   1 ? 
ATOM   1120 O  O   . PRO A 1 153 ? -7.984  -18.417 -28.825 1.000 23.424 0 153 PRO A O   1 ? 
ATOM   1121 C  CB  . PRO A 1 153 ? -7.183  -17.331 -31.458 1.000 25.933 0 153 PRO A CB  1 ? 
ATOM   1122 C  CG  . PRO A 1 153 ? -5.798  -16.843 -31.767 1.000 25.602 0 153 PRO A CG  1 ? 
ATOM   1123 C  CD  . PRO A 1 153 ? -5.212  -16.374 -30.454 1.000 24.722 0 153 PRO A CD  1 ? 
ATOM   1124 N  N   . GLY A 1 154 ? -9.747  -17.065 -29.232 1.000 21.947 0 154 GLY A N   1 ? 
ATOM   1125 C  CA  . GLY A 1 154 ? -10.712 -17.844 -28.474 1.000 22.519 0 154 GLY A CA  1 ? 
ATOM   1126 C  C   . GLY A 1 154 ? -10.486 -17.806 -26.960 1.000 21.148 0 154 GLY A C   1 ? 
ATOM   1127 O  O   . GLY A 1 154 ? -11.081 -18.610 -26.262 1.000 23.052 0 154 GLY A O   1 ? 
ATOM   1128 N  N   . GLN A 1 155 ? -9.625  -16.910 -26.452 1.000 20.954 0 155 GLN A N   1 ? 
ATOM   1129 C  CA  . GLN A 1 155 ? -9.333  -16.879 -25.015 1.000 21.607 0 155 GLN A CA  1 ? 
ATOM   1130 C  C   . GLN A 1 155 ? -9.645  -15.546 -24.326 1.000 22.269 0 155 GLN A C   1 ? 
ATOM   1131 O  O   . GLN A 1 155 ? -9.583  -15.474 -23.093 1.000 23.528 0 155 GLN A O   1 ? 
ATOM   1132 C  CB  . GLN A 1 155 ? -7.863  -17.231 -24.801 1.000 25.394 0 155 GLN A CB  1 ? 
ATOM   1133 C  CG  . GLN A 1 155 ? -7.539  -18.634 -25.275 1.000 28.173 0 155 GLN A CG  1 ? 
ATOM   1134 C  CD  . GLN A 1 155 ? -6.064  -18.784 -25.532 1.000 30.382 0 155 GLN A CD  1 ? 
ATOM   1135 O  OE1 . GLN A 1 155 ? -5.263  -18.766 -24.611 1.000 35.014 0 155 GLN A OE1 1 ? 
ATOM   1136 N  NE2 . GLN A 1 155 ? -5.698  -18.915 -26.796 1.000 34.697 0 155 GLN A NE2 1 ? 
ATOM   1137 N  N   . ILE A 1 156 ? -9.946  -14.487 -25.078 1.000 20.126 0 156 ILE A N   1 ? 
ATOM   1138 C  CA  . ILE A 1 156 ? -10.101 -13.169 -24.485 1.000 20.673 0 156 ILE A CA  1 ? 
ATOM   1139 C  C   . ILE A 1 156 ? -11.586 -12.858 -24.311 1.000 21.416 0 156 ILE A C   1 ? 
ATOM   1140 O  O   . ILE A 1 156 ? -12.344 -12.918 -25.283 1.000 23.499 0 156 ILE A O   1 ? 
ATOM   1141 C  CB  . ILE A 1 156 ? -9.391  -12.084 -25.328 1.000 20.334 0 156 ILE A CB  1 ? 
ATOM   1142 C  CG1 . ILE A 1 156 ? -7.883  -12.336 -25.422 1.000 21.013 0 156 ILE A CG1 1 ? 
ATOM   1143 C  CG2 . ILE A 1 156 ? -9.721  -10.699 -24.780 1.000 20.632 0 156 ILE A CG2 1 ? 
ATOM   1144 C  CD1 . ILE A 1 156 ? -7.139  -12.262 -24.095 1.000 22.254 0 156 ILE A CD1 1 ? 
ATOM   1145 N  N   . THR A 1 157 ? -12.009 -12.530 -23.078 1.000 20.140 0 157 THR A N   1 ? 
ATOM   1146 C  CA  . THR A 1 157 ? -13.391 -12.151 -22.825 1.000 18.772 0 157 THR A CA  1 ? 
ATOM   1147 C  C   . THR A 1 157 ? -13.482 -10.636 -22.716 1.000 16.701 0 157 THR A C   1 ? 
ATOM   1148 O  O   . THR A 1 157 ? -12.486 -9.915  -22.684 1.000 19.211 0 157 THR A O   1 ? 
ATOM   1149 C  CB  . THR A 1 157 ? -13.964 -12.797 -21.557 1.000 20.502 0 157 THR A CB  1 ? 
ATOM   1150 O  OG1 . THR A 1 157 ? -13.260 -12.245 -20.449 1.000 19.324 0 157 THR A OG1 1 ? 
ATOM   1151 C  CG2 . THR A 1 157 ? -13.848 -14.309 -21.552 1.000 19.984 0 157 THR A CG2 1 ? 
ATOM   1152 N  N   . SER A 1 158 ? -14.710 -10.155 -22.612 1.000 18.598 0 158 SER A N   1 ? 
ATOM   1153 C  CA  . SER A 1 158 ? -14.962 -8.741  -22.429 1.000 18.684 0 158 SER A CA  1 ? 
ATOM   1154 C  C   . SER A 1 158 ? -14.516 -8.272  -21.048 1.000 19.180 0 158 SER A C   1 ? 
ATOM   1155 O  O   . SER A 1 158 ? -14.614 -7.077  -20.743 1.000 21.611 0 158 SER A O   1 ? 
ATOM   1156 C  CB  . SER A 1 158 ? -16.428 -8.456  -22.622 1.000 22.105 0 158 SER A CB  1 ? 
ATOM   1157 O  OG  . SER A 1 158 ? -17.204 -9.234  -21.733 1.000 26.596 0 158 SER A OG  1 ? 
ATOM   1158 N  N   . ASN A 1 159 ? -14.065 -9.191  -20.189 1.000 16.949 0 159 ASN A N   1 ? 
ATOM   1159 C  CA  . ASN A 1 159 ? -13.587 -8.815  -18.866 1.000 16.915 0 159 ASN A CA  1 ? 
ATOM   1160 C  C   . ASN A 1 159 ? -12.063 -8.767  -18.800 1.000 17.051 0 159 ASN A C   1 ? 
ATOM   1161 O  O   . ASN A 1 159 ? -11.484 -8.731  -17.702 1.000 14.113 0 159 ASN A O   1 ? 
ATOM   1162 C  CB  . ASN A 1 159 ? -14.100 -9.783  -17.810 1.000 17.320 0 159 ASN A CB  1 ? 
ATOM   1163 C  CG  . ASN A 1 159 ? -15.610 -9.780  -17.750 1.000 18.697 0 159 ASN A CG  1 ? 
ATOM   1164 O  OD1 . ASN A 1 159 ? -16.229 -8.723  -17.662 1.000 20.266 0 159 ASN A OD1 1 ? 
ATOM   1165 N  ND2 . ASN A 1 159 ? -16.191 -10.960 -17.877 1.000 19.050 0 159 ASN A ND2 1 ? 
ATOM   1166 N  N   . MET A 1 160 ? -11.425 -8.782  -19.971 1.000 16.583 0 160 MET A N   1 ? 
ATOM   1167 C  CA  . MET A 1 160 ? -9.985  -8.866  -20.083 1.000 17.222 0 160 MET A CA  1 ? 
ATOM   1168 C  C   . MET A 1 160 ? -9.526  -7.806  -21.068 1.000 17.397 0 160 MET A C   1 ? 
ATOM   1169 O  O   . MET A 1 160 ? -10.238 -7.481  -22.011 1.000 17.350 0 160 MET A O   1 ? 
ATOM   1170 C  CB  . MET A 1 160 ? -9.482  -10.216 -20.578 1.000 17.300 0 160 MET A CB  1 ? 
ATOM   1171 C  CG  . MET A 1 160 ? -9.845  -11.373 -19.692 1.000 18.317 0 160 MET A CG  1 ? 
ATOM   1172 S  SD  . MET A 1 160 ? -9.498  -12.884 -20.559 1.000 17.430 0 160 MET A SD  1 ? 
ATOM   1173 C  CE  . MET A 1 160 ? -10.271 -14.080 -19.458 1.000 19.787 0 160 MET A CE  1 ? 
ATOM   1174 N  N   . PHE A 1 161 ? -8.357  -7.234  -20.798 1.000 15.150 0 161 PHE A N   1 ? 
ATOM   1175 C  CA  . PHE A 1 161 ? -7.672  -6.474  -21.839 1.000 16.361 0 161 PHE A CA  1 ? 
ATOM   1176 C  C   . PHE A 1 161 ? -6.200  -6.845  -21.879 1.000 16.900 0 161 PHE A C   1 ? 
ATOM   1177 O  O   . PHE A 1 161 ? -5.638  -7.422  -20.926 1.000 15.501 0 161 PHE A O   1 ? 
ATOM   1178 C  CB  . PHE A 1 161 ? -7.918  -4.970  -21.688 1.000 16.930 0 161 PHE A CB  1 ? 
ATOM   1179 C  CG  . PHE A 1 161 ? -7.281  -4.338  -20.478 1.000 16.250 0 161 PHE A CG  1 ? 
ATOM   1180 C  CD1 . PHE A 1 161 ? -7.906  -4.348  -19.232 1.000 16.653 0 161 PHE A CD1 1 ? 
ATOM   1181 C  CD2 . PHE A 1 161 ? -6.014  -3.786  -20.568 1.000 16.188 0 161 PHE A CD2 1 ? 
ATOM   1182 C  CE1 . PHE A 1 161 ? -7.316  -3.728  -18.141 1.000 17.425 0 161 PHE A CE1 1 ? 
ATOM   1183 C  CE2 . PHE A 1 161 ? -5.408  -3.208  -19.460 1.000 17.390 0 161 PHE A CE2 1 ? 
ATOM   1184 C  CZ  . PHE A 1 161 ? -6.063  -3.174  -18.251 1.000 15.872 0 161 PHE A CZ  1 ? 
ATOM   1185 N  N   . CYS A 1 162 ? -5.559  -6.465  -22.995 1.000 15.658 0 162 CYS A N   1 ? 
ATOM   1186 C  CA  . CYS A 1 162 ? -4.155  -6.698  -23.196 1.000 16.225 0 162 CYS A CA  1 ? 
ATOM   1187 C  C   . CYS A 1 162 ? -3.412  -5.383  -23.050 1.000 16.797 0 162 CYS A C   1 ? 
ATOM   1188 O  O   . CYS A 1 162 ? -3.922  -4.315  -23.416 1.000 17.590 0 162 CYS A O   1 ? 
ATOM   1189 C  CB  . CYS A 1 162 ? -3.856  -7.227  -24.599 1.000 15.931 0 162 CYS A CB  1 ? 
ATOM   1190 S  SG  . CYS A 1 162 ? -4.300  -8.951  -24.895 1.000 17.484 0 162 CYS A SG  1 ? 
ATOM   1191 N  N   . ALA A 1 163 ? -2.224  -5.467  -22.455 1.000 15.008 0 163 ALA A N   1 ? 
ATOM   1192 C  CA  . ALA A 1 163 ? -1.314  -4.330  -22.429 1.000 16.312 0 163 ALA A CA  1 ? 
ATOM   1193 C  C   . ALA A 1 163 ? 0.097   -4.837  -22.579 1.000 17.848 0 163 ALA A C   1 ? 
ATOM   1194 O  O   . ALA A 1 163 ? 0.412   -5.902  -22.067 1.000 17.033 0 163 ALA A O   1 ? 
ATOM   1195 C  CB  . ALA A 1 163 ? -1.445  -3.535  -21.167 1.000 15.783 0 163 ALA A CB  1 ? 
ATOM   1196 N  N   . GLY A 1 164 ? 0.973   -4.021  -23.186 1.000 18.450 0 164 GLY A N   1 ? 
ATOM   1197 C  CA  . GLY A 1 164 ? 2.344   -4.449  -23.318 1.000 19.166 0 164 GLY A CA  1 ? 
ATOM   1198 C  C   . GLY A 1 164 ? 2.831   -4.214  -24.741 1.000 22.159 0 164 GLY A C   1 ? 
ATOM   1199 O  O   . GLY A 1 164 ? 2.375   -3.280  -25.393 1.000 22.291 0 164 GLY A O   1 ? 
ATOM   1200 N  N   . TYR A 1 165 ? 3.778   -5.041  -25.162 1.000 23.049 0 165 TYR A N   1 ? 
ATOM   1201 C  CA  . TYR A 1 165 ? 4.519   -4.808  -26.388 1.000 25.862 0 165 TYR A CA  1 ? 
ATOM   1202 C  C   . TYR A 1 165 ? 4.542   -6.074  -27.225 1.000 25.479 0 165 TYR A C   1 ? 
ATOM   1203 O  O   . TYR A 1 165 ? 5.079   -7.080  -26.792 1.000 27.826 0 165 TYR A O   1 ? 
ATOM   1204 C  CB  . TYR A 1 165 ? 5.920   -4.327  -26.031 1.000 25.540 0 165 TYR A CB  1 ? 
ATOM   1205 C  CG  . TYR A 1 165 ? 5.952   -3.049  -25.231 1.000 27.051 0 165 TYR A CG  1 ? 
ATOM   1206 C  CD1 . TYR A 1 165 ? 5.869   -3.059  -23.848 1.000 26.991 0 165 TYR A CD1 1 ? 
ATOM   1207 C  CD2 . TYR A 1 165 ? 6.025   -1.812  -25.860 1.000 26.662 0 165 TYR A CD2 1 ? 
ATOM   1208 C  CE1 . TYR A 1 165 ? 5.916   -1.878  -23.122 1.000 25.836 0 165 TYR A CE1 1 ? 
ATOM   1209 C  CE2 . TYR A 1 165 ? 6.061   -0.627  -25.147 1.000 27.162 0 165 TYR A CE2 1 ? 
ATOM   1210 C  CZ  . TYR A 1 165 ? 6.024   -0.663  -23.770 1.000 26.994 0 165 TYR A CZ  1 ? 
ATOM   1211 O  OH  . TYR A 1 165 ? 6.064   0.526   -23.079 1.000 28.850 0 165 TYR A OH  1 ? 
ATOM   1212 N  N   . LEU A 1 166 ? 3.981   -5.985  -28.436 1.000 25.162 0 166 LEU A N   1 ? 
ATOM   1213 C  CA  . LEU A 1 166 ? 3.893   -7.113  -29.352 1.000 26.845 0 166 LEU A CA  1 ? 
ATOM   1214 C  C   . LEU A 1 166 ? 5.281   -7.581  -29.792 1.000 27.042 0 166 LEU A C   1 ? 
ATOM   1215 O  O   . LEU A 1 166 ? 5.425   -8.728  -30.190 1.000 26.755 0 166 LEU A O   1 ? 
ATOM   1216 C  CB  . LEU A 1 166 ? 3.047   -6.707  -30.569 1.000 28.151 0 166 LEU A CB  1 ? 
ATOM   1217 C  CG  . LEU A 1 166 ? 1.558   -6.484  -30.301 1.000 30.972 0 166 LEU A CG  1 ? 
ATOM   1218 C  CD1 . LEU A 1 166 ? 0.842   -6.040  -31.561 1.000 32.001 0 166 LEU A CD1 1 ? 
ATOM   1219 C  CD2 . LEU A 1 166 ? 0.902   -7.738  -29.736 1.000 31.077 0 166 LEU A CD2 1 ? 
ATOM   1220 N  N   . GLU A 1 167 ? 6.290   -6.697  -29.761 1.000 27.217 0 167 GLU A N   1 ? 
ATOM   1221 C  CA  . GLU A 1 167 ? 7.652   -7.096  -30.105 1.000 31.433 0 167 GLU A CA  1 ? 
ATOM   1222 C  C   . GLU A 1 167 ? 8.287   -7.931  -28.991 1.000 31.507 0 167 GLU A C   1 ? 
ATOM   1223 O  O   . GLU A 1 167 ? 9.265   -8.621  -29.241 1.000 34.578 0 167 GLU A O   1 ? 
ATOM   1224 C  CB  . GLU A 1 167 ? 8.511   -5.880  -30.460 1.000 33.929 0 167 GLU A CB  1 ? 
ATOM   1225 C  CG  . GLU A 1 167 ? 8.482   -4.767  -29.427 1.000 39.007 0 167 GLU A CG  1 ? 
ATOM   1226 C  CD  . GLU A 1 167 ? 7.418   -3.696  -29.632 1.000 42.445 0 167 GLU A CD  1 ? 
ATOM   1227 O  OE1 . GLU A 1 167 ? 7.794   -2.532  -29.862 1.000 53.423 0 167 GLU A OE1 1 ? 
ATOM   1228 O  OE2 . GLU A 1 167 ? 6.216   -4.012  -29.560 1.000 40.723 0 167 GLU A OE2 1 ? 
ATOM   1229 N  N   . GLY A 1 168 ? 7.732   -7.884  -27.769 1.000 31.253 0 168 GLY A N   1 ? 
ATOM   1230 C  CA  . GLY A 1 168 ? 8.241   -8.665  -26.650 1.000 29.623 0 168 GLY A CA  1 ? 
ATOM   1231 C  C   . GLY A 1 168 ? 9.283   -7.893  -25.832 1.000 28.559 0 168 GLY A C   1 ? 
ATOM   1232 O  O   . GLY A 1 168 ? 9.506   -6.707  -26.055 1.000 32.265 0 168 GLY A O   1 ? 
ATOM   1233 N  N   . GLY A 1 169 ? 9.892   -8.566  -24.853 1.000 25.987 0 169 GLY A N   1 ? 
ATOM   1234 C  CA  . GLY A 1 169 ? 10.992  -8.001  -24.081 1.000 24.946 0 169 GLY A CA  1 ? 
ATOM   1235 C  C   . GLY A 1 169 ? 10.556  -7.267  -22.813 1.000 22.536 0 169 GLY A C   1 ? 
ATOM   1236 O  O   . GLY A 1 169 ? 11.369  -7.133  -21.904 1.000 25.654 0 169 GLY A O   1 ? 
ATOM   1237 N  N   . LYS A 1 170 ? 9.297   -6.789  -22.771 1.000 20.720 0 170 LYS A N   1 ? 
ATOM   1238 C  CA  . LYS A 1 170 ? 8.766   -6.014  -21.656 1.000 22.342 0 170 LYS A CA  1 ? 
ATOM   1239 C  C   . LYS A 1 170 ? 7.364   -6.520  -21.302 1.000 20.660 0 170 LYS A C   1 ? 
ATOM   1240 O  O   . LYS A 1 170 ? 6.478   -6.542  -22.164 1.000 19.912 0 170 LYS A O   1 ? 
ATOM   1241 C  CB  . LYS A 1 170 ? 8.719   -4.521  -21.995 1.000 25.499 0 170 LYS A CB  1 ? 
ATOM   1242 C  CG  . LYS A 1 170 ? 10.057  -3.922  -22.410 1.000 28.557 0 170 LYS A CG  1 ? 
ATOM   1243 C  CD  . LYS A 1 170 ? 10.059  -2.418  -22.447 1.000 34.832 0 170 LYS A CD  1 ? 
ATOM   1244 C  CE  . LYS A 1 170 ? 9.204   -1.858  -23.559 1.000 38.977 0 170 LYS A CE  1 ? 
ATOM   1245 N  NZ  . LYS A 1 170 ? 9.755   -2.189  -24.896 1.000 45.318 0 170 LYS A NZ  1 ? 
ATOM   1246 N  N   . ASP A 1 171 ? 7.177   -6.956  -20.039 1.000 19.203 0 171 ASP A N   1 ? 
ATOM   1247 C  CA  . ASP A 1 171 ? 5.939   -7.607  -19.633 1.000 18.058 0 171 ASP A CA  1 ? 
ATOM   1248 C  C   . ASP A 1 171 ? 5.920   -7.792  -18.117 1.000 17.895 0 171 ASP A C   1 ? 
ATOM   1249 O  O   . ASP A 1 171 ? 6.958   -7.706  -17.475 1.000 18.641 0 171 ASP A O   1 ? 
ATOM   1250 C  CB  . ASP A 1 171 ? 5.797   -8.990  -20.290 1.000 18.256 0 171 ASP A CB  1 ? 
ATOM   1251 C  CG  . ASP A 1 171 ? 4.407   -9.610  -20.347 1.000 16.910 0 171 ASP A CG  1 ? 
ATOM   1252 O  OD1 . ASP A 1 171 ? 3.421   -8.976  -19.927 1.000 17.954 0 171 ASP A OD1 1 ? 
ATOM   1253 O  OD2 . ASP A 1 171 ? 4.328   -10.757 -20.850 1.000 19.423 0 171 ASP A OD2 1 ? 
ATOM   1254 N  N   . SER A 1 172 ? 4.745   -8.093  -17.575 1.000 17.382 0 172 SER A N   1 ? 
ATOM   1255 C  CA  . SER A 1 172 ? 4.642   -8.590  -16.205 1.000 16.690 0 172 SER A CA  1 ? 
ATOM   1256 C  C   . SER A 1 172 ? 4.891   -10.087 -16.253 1.000 15.538 0 172 SER A C   1 ? 
ATOM   1257 O  O   . SER A 1 172 ? 5.032   -10.652 -17.329 1.000 16.108 0 172 SER A O   1 ? 
ATOM   1258 C  CB  . SER A 1 172 ? 3.330   -8.248  -15.543 1.000 16.896 0 172 SER A CB  1 ? 
ATOM   1259 O  OG  . SER A 1 172 ? 2.217   -8.716  -16.296 1.000 18.321 0 172 SER A OG  1 ? 
ATOM   1260 N  N   . CYS A 1 173 ? 5.031   -10.724 -15.085 1.000 16.260 0 173 CYS A N   1 ? 
ATOM   1261 C  CA  . CYS A 1 173 ? 5.440   -12.118 -15.066 1.000 15.895 0 173 CYS A CA  1 ? 
ATOM   1262 C  C   . CYS A 1 173 ? 4.923   -12.762 -13.776 1.000 17.601 0 173 CYS A C   1 ? 
ATOM   1263 O  O   . CYS A 1 173 ? 4.245   -12.092 -13.006 1.000 16.132 0 173 CYS A O   1 ? 
ATOM   1264 C  CB  . CYS A 1 173 ? 6.944   -12.178 -15.239 1.000 16.506 0 173 CYS A CB  1 ? 
ATOM   1265 S  SG  . CYS A 1 173 ? 7.534   -13.776 -15.821 1.000 20.872 0 173 CYS A SG  1 ? 
ATOM   1266 N  N   . GLN A 1 174 ? 5.188   -14.051 -13.531 1.000 18.256 0 174 GLN A N   1 ? 
ATOM   1267 C  CA  . GLN A 1 174 ? 4.594   -14.615 -12.324 1.000 23.203 0 174 GLN A CA  1 ? 
ATOM   1268 C  C   . GLN A 1 174 ? 5.321   -14.061 -11.091 1.000 18.698 0 174 GLN A C   1 ? 
ATOM   1269 O  O   . GLN A 1 174 ? 6.484   -13.631 -11.114 1.000 21.227 0 174 GLN A O   1 ? 
ATOM   1270 C  CB  . GLN A 1 174 ? 4.385   -16.133 -12.290 1.000 31.737 0 174 GLN A CB  1 ? 
ATOM   1271 C  CG  . GLN A 1 174 ? 2.894   -16.598 -12.363 1.000 35.305 0 174 GLN A CG  1 ? 
ATOM   1272 C  CD  . GLN A 1 174 ? 1.872   -16.057 -11.356 1.000 43.783 0 174 GLN A CD  1 ? 
ATOM   1273 O  OE1 . GLN A 1 174 ? 0.834   -16.675 -11.079 1.000 45.812 0 174 GLN A OE1 1 ? 
ATOM   1274 N  NE2 . GLN A 1 174 ? 2.104   -14.872 -10.806 1.000 36.090 0 174 GLN A NE2 1 ? 
ATOM   1275 N  N   . GLY A 1 175 ? 4.535   -13.976 -10.027 1.000 16.593 0 175 GLY A N   1 ? 
ATOM   1276 C  CA  . GLY A 1 175 ? 4.897   -13.172 -8.883  1.000 15.705 0 175 GLY A CA  1 ? 
ATOM   1277 C  C   . GLY A 1 175 ? 4.319   -11.758 -8.979  1.000 14.653 0 175 GLY A C   1 ? 
ATOM   1278 O  O   . GLY A 1 175 ? 4.178   -11.119 -7.956  1.000 16.761 0 175 GLY A O   1 ? 
ATOM   1279 N  N   . ASP A 1 176 ? 4.061   -11.229 -10.189 1.000 14.133 0 176 ASP A N   1 ? 
ATOM   1280 C  CA  . ASP A 1 176 ? 3.339   -9.965  -10.332 1.000 12.842 0 176 ASP A CA  1 ? 
ATOM   1281 C  C   . ASP A 1 176 ? 1.814   -10.117 -10.238 1.000 12.076 0 176 ASP A C   1 ? 
ATOM   1282 O  O   . ASP A 1 176 ? 1.093   -9.112  -10.047 1.000 11.750 0 176 ASP A O   1 ? 
ATOM   1283 C  CB  . ASP A 1 176 ? 3.659   -9.276  -11.656 1.000 13.293 0 176 ASP A CB  1 ? 
ATOM   1284 C  CG  . ASP A 1 176 ? 5.133   -8.917  -11.777 1.000 13.328 0 176 ASP A CG  1 ? 
ATOM   1285 O  OD1 . ASP A 1 176 ? 5.730   -8.463  -10.741 1.000 12.092 0 176 ASP A OD1 1 ? 
ATOM   1286 O  OD2 . ASP A 1 176 ? 5.701   -9.134  -12.864 1.000 14.048 0 176 ASP A OD2 1 ? 
ATOM   1287 N  N   . SER A 1 177 ? 1.301   -11.333 -10.435 1.000 13.740 0 177 SER A N   1 ? 
ATOM   1288 C  CA  . SER A 1 177 ? -0.133  -11.615 -10.400 1.000 13.856 0 177 SER A CA  1 ? 
ATOM   1289 C  C   . SER A 1 177 ? -0.846  -10.881 -9.278  1.000 13.372 0 177 SER A C   1 ? 
ATOM   1290 O  O   . SER A 1 177 ? -0.340  -10.849 -8.178  1.000 11.157 0 177 SER A O   1 ? 
ATOM   1291 C  CB  . SER A 1 177 ? -0.376  -13.090 -10.260 1.000 16.889 0 177 SER A CB  1 ? 
ATOM   1292 O  OG  . SER A 1 177 ? -0.085  -13.694 -11.517 1.000 18.189 0 177 SER A OG  1 ? 
ATOM   1293 N  N   . GLY A 1 178 ? -2.008  -10.290 -9.570  1.000 15.487 0 178 GLY A N   1 ? 
ATOM   1294 C  CA  . GLY A 1 178 ? -2.766  -9.598  -8.552  1.000 13.754 0 178 GLY A CA  1 ? 
ATOM   1295 C  C   . GLY A 1 178 ? -2.454  -8.118  -8.441  1.000 14.857 0 178 GLY A C   1 ? 
ATOM   1296 O  O   . GLY A 1 178 ? -3.241  -7.385  -7.862  1.000 15.547 0 178 GLY A O   1 ? 
ATOM   1297 N  N   . GLY A 1 179 ? -1.294  -7.682  -8.946  1.000 13.630 0 179 GLY A N   1 ? 
ATOM   1298 C  CA  . GLY A 1 179 ? -0.875  -6.321  -8.751  1.000 14.536 0 179 GLY A CA  1 ? 
ATOM   1299 C  C   . GLY A 1 179 ? -1.573  -5.383  -9.716  1.000 13.358 0 179 GLY A C   1 ? 
ATOM   1300 O  O   . GLY A 1 179 ? -2.372  -5.782  -10.549 1.000 14.778 0 179 GLY A O   1 ? 
ATOM   1301 N  N   . PRO A 1 180 ? -1.252  -4.085  -9.572  1.000 14.536 0 180 PRO A N   1 ? 
ATOM   1302 C  CA  . PRO A 1 180 ? -1.969  -3.015  -10.256 1.000 15.399 0 180 PRO A CA  1 ? 
ATOM   1303 C  C   . PRO A 1 180 ? -1.500  -2.734  -11.669 1.000 15.087 0 180 PRO A C   1 ? 
ATOM   1304 O  O   . PRO A 1 180 ? -0.305  -2.784  -11.984 1.000 15.282 0 180 PRO A O   1 ? 
ATOM   1305 C  CB  . PRO A 1 180 ? -1.710  -1.791  -9.382  1.000 15.819 0 180 PRO A CB  1 ? 
ATOM   1306 C  CG  . PRO A 1 180 ? -0.392  -2.085  -8.703  1.000 15.088 0 180 PRO A CG  1 ? 
ATOM   1307 C  CD  . PRO A 1 180 ? -0.295  -3.583  -8.588  1.000 14.975 0 180 PRO A CD  1 ? 
ATOM   1308 N  N   . VAL A 1 181 ? -2.502  -2.340  -12.465 1.000 14.853 0 181 VAL A N   1 ? 
ATOM   1309 C  CA  . VAL A 1 181 ? -2.289  -1.621  -13.716 1.000 15.584 0 181 VAL A CA  1 ? 
ATOM   1310 C  C   . VAL A 1 181 ? -3.018  -0.283  -13.575 1.000 13.254 0 181 VAL A C   1 ? 
ATOM   1311 O  O   . VAL A 1 181 ? -4.244  -0.284  -13.487 1.000 13.843 0 181 VAL A O   1 ? 
ATOM   1312 C  CB  . VAL A 1 181 ? -2.834  -2.379  -14.940 1.000 15.384 0 181 VAL A CB  1 ? 
ATOM   1313 C  CG1 . VAL A 1 181 ? -2.385  -1.674  -16.216 1.000 14.962 0 181 VAL A CG1 1 ? 
ATOM   1314 C  CG2 . VAL A 1 181 ? -2.450  -3.857  -14.946 1.000 15.878 0 181 VAL A CG2 1 ? 
ATOM   1315 N  N   . VAL A 1 182 ? -2.267  0.824   -13.500 1.000 14.454 0 182 VAL A N   1 ? 
ATOM   1316 C  CA  . VAL A 1 182 ? -2.848  2.127   -13.196 1.000 14.372 0 182 VAL A CA  1 ? 
ATOM   1317 C  C   . VAL A 1 182 ? -2.701  3.011   -14.435 1.000 15.177 0 182 VAL A C   1 ? 
ATOM   1318 O  O   . VAL A 1 182 ? -1.599  3.141   -14.988 1.000 17.041 0 182 VAL A O   1 ? 
ATOM   1319 C  CB  . VAL A 1 182 ? -2.168  2.709   -11.941 1.000 15.341 0 182 VAL A CB  1 ? 
ATOM   1320 C  CG1 . VAL A 1 182 ? -2.369  4.212   -11.801 1.000 14.799 0 182 VAL A CG1 1 ? 
ATOM   1321 C  CG2 . VAL A 1 182 ? -2.671  1.981   -10.701 1.000 16.076 0 182 VAL A CG2 1 ? 
ATOM   1322 N  N   . CYS A 1 183 ? -3.819  3.594   -14.860 1.000 16.991 0 183 CYS A N   1 ? 
ATOM   1323 C  CA  . CYS A 1 183 ? -3.857  4.401   -16.070 1.000 17.779 0 183 CYS A CA  1 ? 
ATOM   1324 C  C   . CYS A 1 183 ? -4.607  5.676   -15.724 1.000 19.770 0 183 CYS A C   1 ? 
ATOM   1325 O  O   . CYS A 1 183 ? -5.677  5.635   -15.125 1.000 19.267 0 183 CYS A O   1 ? 
ATOM   1326 C  CB  . CYS A 1 183 ? -4.538  3.738   -17.260 1.000 17.137 0 183 CYS A CB  1 ? 
ATOM   1327 S  SG  . CYS A 1 183 ? -4.263  1.961   -17.419 1.000 20.767 0 183 CYS A SG  1 ? 
ATOM   1328 N  N   . SER A 1 184 ? -3.924  6.798   -15.933 1.000 21.765 0 184 SER A N   1 ? 
ATOM   1329 C  CA  . SER A 1 184 ? -4.414  8.126   -15.607 1.000 24.949 0 184 SER A CA  1 ? 
ATOM   1330 C  C   . SER A 1 184 ? -4.864  8.206   -14.149 1.000 23.862 0 184 SER A C   1 ? 
ATOM   1331 O  O   . SER A 1 184 ? -5.890  8.809   -13.872 1.000 25.968 0 184 SER A O   1 ? 
ATOM   1332 C  CB  . SER A 1 184 ? -5.509  8.512   -16.536 1.000 27.791 0 184 SER A CB  1 ? 
ATOM   1333 O  OG  . SER A 1 184 ? -5.182  8.113   -17.853 1.000 34.834 0 184 SER A OG  1 ? 
ATOM   1334 N  N   . GLY A 1 185 ? -4.095  7.584   -13.246 1.000 22.994 0 185 GLY A N   1 ? 
ATOM   1335 C  CA  . GLY A 1 185 ? -4.307  7.682   -11.810 1.000 21.503 0 185 GLY A CA  1 ? 
ATOM   1336 C  C   . GLY A 1 185 ? -5.480  6.842   -11.288 1.000 20.948 0 185 GLY A C   1 ? 
ATOM   1337 O  O   . GLY A 1 185 ? -5.918  7.041   -10.160 1.000 23.628 0 185 GLY A O   1 ? 
ATOM   1338 N  N   . LYS A 1 186 ? -5.999  5.921   -12.104 1.000 20.972 0 186 LYS A N   1 ? 
ATOM   1339 C  CA  . LYS A 1 186 ? -7.067  5.017   -11.687 1.000 19.863 0 186 LYS A CA  1 ? 
ATOM   1340 C  C   . LYS A 1 186 ? -6.590  3.584   -11.885 1.000 17.651 0 186 LYS A C   1 ? 
ATOM   1341 O  O   . LYS A 1 186 ? -5.794  3.314   -12.777 1.000 17.128 0 186 LYS A O   1 ? 
ATOM   1342 C  CB  . LYS A 1 186 ? -8.349  5.169   -12.513 1.000 24.024 0 186 LYS A CB  1 ? 
ATOM   1343 C  CG  . LYS A 1 186 ? -8.866  6.589   -12.706 1.000 26.712 0 186 LYS A CG  1 ? 
ATOM   1344 C  CD  . LYS A 1 186 ? -9.141  7.329   -11.445 1.000 30.683 0 186 LYS A CD  1 ? 
ATOM   1345 C  CE  . LYS A 1 186 ? -9.963  8.573   -11.723 1.000 32.525 0 186 LYS A CE  1 ? 
ATOM   1346 N  NZ  . LYS A 1 186 ? -10.304 9.261   -10.458 1.000 38.866 0 186 LYS A NZ  1 ? 
ATOM   1347 N  N   . LEU A 1 187 ? -7.078  2.682   -11.032 1.000 16.085 0 187 LEU A N   1 ? 
ATOM   1348 C  CA  . LEU A 1 187 ? -6.840  1.254   -11.157 1.000 16.451 0 187 LEU A CA  1 ? 
ATOM   1349 C  C   . LEU A 1 187 ? -7.699  0.699   -12.293 1.000 16.983 0 187 LEU A C   1 ? 
ATOM   1350 O  O   . LEU A 1 187 ? -8.916  0.562   -12.144 1.000 19.035 0 187 LEU A O   1 ? 
ATOM   1351 C  CB  . LEU A 1 187 ? -7.191  0.591   -9.814  1.000 14.834 0 187 LEU A CB  1 ? 
ATOM   1352 C  CG  . LEU A 1 187 ? -6.913  -0.917  -9.780  1.000 16.124 0 187 LEU A CG  1 ? 
ATOM   1353 C  CD1 . LEU A 1 187 ? -5.407  -1.182  -9.900  1.000 16.220 0 187 LEU A CD1 1 ? 
ATOM   1354 C  CD2 . LEU A 1 187 ? -7.495  -1.528  -8.501  1.000 15.989 0 187 LEU A CD2 1 ? 
ATOM   1355 N  N   . GLN A 1 188 ? -7.069  0.381   -13.436 1.000 16.480 0 188 GLN A N   1 ? 
ATOM   1356 C  CA  . GLN A 1 188 ? -7.786  -0.078  -14.616 1.000 16.001 0 188 GLN A CA  1 ? 
ATOM   1357 C  C   . GLN A 1 188 ? -7.609  -1.580  -14.811 1.000 14.192 0 188 GLN A C   1 ? 
ATOM   1358 O  O   . GLN A 1 188 ? -8.419  -2.219  -15.472 1.000 14.565 0 188 GLN A O   1 ? 
ATOM   1359 C  CB  . GLN A 1 188 ? -7.323  0.688   -15.859 1.000 18.404 0 188 GLN A CB  1 ? 
ATOM   1360 C  CG  . GLN A 1 188 ? -7.840  2.124   -15.913 1.000 19.728 0 188 GLN A CG  1 ? 
ATOM   1361 C  CD  . GLN A 1 188 ? -9.307  2.298   -16.222 1.000 22.459 0 188 GLN A CD  1 ? 
ATOM   1362 O  OE1 . GLN A 1 188 ? -10.054 1.333   -16.365 1.000 26.223 0 188 GLN A OE1 1 ? 
ATOM   1363 N  NE2 . GLN A 1 188 ? -9.752  3.547   -16.306 1.000 20.937 0 188 GLN A NE2 1 ? 
ATOM   1364 N  N   . GLY A 1 189 ? -6.556  -2.152  -14.241 1.000 13.086 0 189 GLY A N   1 ? 
ATOM   1365 C  CA  . GLY A 1 189 ? -6.341  -3.567  -14.448 1.000 13.422 0 189 GLY A CA  1 ? 
ATOM   1366 C  C   . GLY A 1 189 ? -5.688  -4.261  -13.266 1.000 13.226 0 189 GLY A C   1 ? 
ATOM   1367 O  O   . GLY A 1 189 ? -5.092  -3.645  -12.376 1.000 12.289 0 189 GLY A O   1 ? 
ATOM   1368 N  N   . ILE A 1 190 ? -5.811  -5.593  -13.325 1.000 12.774 0 190 ILE A N   1 ? 
ATOM   1369 C  CA  . ILE A 1 190 ? -5.127  -6.515  -12.423 1.000 12.411 0 190 ILE A CA  1 ? 
ATOM   1370 C  C   . ILE A 1 190 ? -4.283  -7.481  -13.242 1.000 12.336 0 190 ILE A C   1 ? 
ATOM   1371 O  O   . ILE A 1 190 ? -4.786  -8.163  -14.138 1.000 12.977 0 190 ILE A O   1 ? 
ATOM   1372 C  CB  . ILE A 1 190 ? -6.162  -7.260  -11.569 1.000 12.554 0 190 ILE A CB  1 ? 
ATOM   1373 C  CG1 . ILE A 1 190 ? -7.069  -6.304  -10.790 1.000 14.076 0 190 ILE A CG1 1 ? 
ATOM   1374 C  CG2 . ILE A 1 190 ? -5.529  -8.312  -10.625 1.000 12.181 0 190 ILE A CG2 1 ? 
ATOM   1375 C  CD1 . ILE A 1 190 ? -8.308  -6.964  -10.331 1.000 15.767 0 190 ILE A CD1 1 ? 
ATOM   1376 N  N   . VAL A 1 191 ? -3.028  -7.657  -12.828 1.000 11.996 0 191 VAL A N   1 ? 
ATOM   1377 C  CA  . VAL A 1 191 ? -2.157  -8.649  -13.472 1.000 11.526 0 191 VAL A CA  1 ? 
ATOM   1378 C  C   . VAL A 1 191 ? -2.804  -10.046 -13.369 1.000 11.682 0 191 VAL A C   1 ? 
ATOM   1379 O  O   . VAL A 1 191 ? -2.987  -10.563 -12.269 1.000 10.849 0 191 VAL A O   1 ? 
ATOM   1380 C  CB  . VAL A 1 191 ? -0.759  -8.646  -12.830 1.000 12.202 0 191 VAL A CB  1 ? 
ATOM   1381 C  CG1 . VAL A 1 191 ? 0.137   -9.702  -13.475 1.000 12.773 0 191 VAL A CG1 1 ? 
ATOM   1382 C  CG2 . VAL A 1 191 ? -0.078  -7.275  -12.873 1.000 12.889 0 191 VAL A CG2 1 ? 
ATOM   1383 N  N   . SER A 1 192 ? -3.112  -10.670 -14.513 1.000 11.611 0 192 SER A N   1 ? 
ATOM   1384 C  CA  . SER A 1 192 ? -3.885  -11.902 -14.525 1.000 12.200 0 192 SER A CA  1 ? 
ATOM   1385 C  C   . SER A 1 192 ? -3.108  -13.065 -15.150 1.000 13.563 0 192 SER A C   1 ? 
ATOM   1386 O  O   . SER A 1 192 ? -2.732  -14.013 -14.475 1.000 14.737 0 192 SER A O   1 ? 
ATOM   1387 C  CB  . SER A 1 192 ? -5.199  -11.673 -15.216 1.000 12.116 0 192 SER A CB  1 ? 
ATOM   1388 O  OG  . SER A 1 192 ? -6.069  -12.812 -15.154 1.000 12.619 0 192 SER A OG  1 ? 
ATOM   1389 N  N   . TRP A 1 193 ? -2.834  -12.995 -16.459 1.000 13.756 0 193 TRP A N   1 ? 
ATOM   1390 C  CA  . TRP A 1 193 ? -2.149  -14.114 -17.112 1.000 16.032 0 193 TRP A CA  1 ? 
ATOM   1391 C  C   . TRP A 1 193 ? -1.434  -13.673 -18.390 1.000 16.881 0 193 TRP A C   1 ? 
ATOM   1392 O  O   . TRP A 1 193 ? -1.491  -12.525 -18.791 1.000 15.953 0 193 TRP A O   1 ? 
ATOM   1393 C  CB  . TRP A 1 193 ? -3.148  -15.232 -17.389 1.000 17.213 0 193 TRP A CB  1 ? 
ATOM   1394 C  CG  . TRP A 1 193 ? -4.273  -14.912 -18.320 1.000 16.721 0 193 TRP A CG  1 ? 
ATOM   1395 C  CD1 . TRP A 1 193 ? -5.439  -14.264 -18.024 1.000 16.745 0 193 TRP A CD1 1 ? 
ATOM   1396 C  CD2 . TRP A 1 193 ? -4.371  -15.290 -19.712 1.000 17.863 0 193 TRP A CD2 1 ? 
ATOM   1397 N  NE1 . TRP A 1 193 ? -6.264  -14.231 -19.120 1.000 17.918 0 193 TRP A NE1 1 ? 
ATOM   1398 C  CE2 . TRP A 1 193 ? -5.619  -14.828 -20.179 1.000 17.678 0 193 TRP A CE2 1 ? 
ATOM   1399 C  CE3 . TRP A 1 193 ? -3.532  -15.972 -20.605 1.000 18.669 0 193 TRP A CE3 1 ? 
ATOM   1400 C  CZ2 . TRP A 1 193 ? -6.064  -15.061 -21.486 1.000 18.983 0 193 TRP A CZ2 1 ? 
ATOM   1401 C  CZ3 . TRP A 1 193 ? -3.968  -16.191 -21.894 1.000 18.090 0 193 TRP A CZ3 1 ? 
ATOM   1402 C  CH2 . TRP A 1 193 ? -5.204  -15.729 -22.323 1.000 18.918 0 193 TRP A CH2 1 ? 
ATOM   1403 N  N   . GLY A 1 194 ? -0.804  -14.643 -19.048 1.000 17.507 0 194 GLY A N   1 ? 
ATOM   1404 C  CA  . GLY A 1 194 ? -0.181  -14.444 -20.345 1.000 18.028 0 194 GLY A CA  1 ? 
ATOM   1405 C  C   . GLY A 1 194 ? 0.533   -15.742 -20.699 1.000 20.620 0 194 GLY A C   1 ? 
ATOM   1406 O  O   . GLY A 1 194 ? 0.629   -16.632 -19.851 1.000 23.502 0 194 GLY A O   1 ? 
ATOM   1407 N  N   . SER A 1 195 ? 0.941   -15.880 -21.953 1.000 17.873 0 195 SER A N   1 ? 
ATOM   1408 C  CA  . SER A 1 195 ? 1.688   -17.051 -22.355 1.000 20.971 0 195 SER A CA  1 ? 
ATOM   1409 C  C   . SER A 1 195 ? 3.172   -16.732 -22.204 1.000 20.837 0 195 SER A C   1 ? 
ATOM   1410 O  O   . SER A 1 195 ? 3.714   -15.931 -22.956 1.000 21.797 0 195 SER A O   1 ? 
ATOM   1411 C  CB  . SER A 1 195 ? 1.307   -17.515 -23.734 1.000 22.474 0 195 SER A CB  1 ? 
ATOM   1412 O  OG  . SER A 1 195 ? 1.900   -18.784 -23.929 1.000 29.322 0 195 SER A OG  1 ? 
ATOM   1413 N  N   . GLY A 1 196 ? 3.765   -17.279 -21.139 1.000 19.931 0 196 GLY A N   1 ? 
ATOM   1414 C  CA  . GLY A 1 196 ? 5.125   -16.975 -20.756 1.000 20.339 0 196 GLY A CA  1 ? 
ATOM   1415 C  C   . GLY A 1 196 ? 5.171   -15.536 -20.263 1.000 19.756 0 196 GLY A C   1 ? 
ATOM   1416 O  O   . GLY A 1 196 ? 4.126   -15.017 -19.865 1.000 20.703 0 196 GLY A O   1 ? 
ATOM   1417 N  N   . CYS A 1 197 ? 6.353   -14.933 -20.364 1.000 19.177 0 197 CYS A N   1 ? 
ATOM   1418 C  CA  . CYS A 1 197 ? 6.538   -13.524 -20.078 1.000 20.382 0 197 CYS A CA  1 ? 
ATOM   1419 C  C   . CYS A 1 197 ? 7.428   -12.918 -21.160 1.000 21.424 0 197 CYS A C   1 ? 
ATOM   1420 O  O   . CYS A 1 197 ? 8.424   -13.529 -21.572 1.000 22.837 0 197 CYS A O   1 ? 
ATOM   1421 C  CB  . CYS A 1 197 ? 7.193   -13.326 -18.721 1.000 21.491 0 197 CYS A CB  1 ? 
ATOM   1422 S  SG  . CYS A 1 197 ? 6.377   -14.278 -17.418 1.000 22.176 0 197 CYS A SG  1 ? 
ATOM   1423 N  N   . ALA A 1 198 ? 6.965   -11.775 -21.678 1.000 19.520 0 198 ALA A N   1 ? 
ATOM   1424 C  CA  . ALA A 1 198 ? 7.741   -10.889 -22.547 1.000 20.314 0 198 ALA A CA  1 ? 
ATOM   1425 C  C   . ALA A 1 198 ? 8.032   -11.587 -23.882 1.000 22.924 0 198 ALA A C   1 ? 
ATOM   1426 O  O   . ALA A 1 198 ? 9.001   -11.236 -24.546 1.000 24.422 0 198 ALA A O   1 ? 
ATOM   1427 C  CB  . ALA A 1 198 ? 8.995   -10.410 -21.845 1.000 19.089 0 198 ALA A CB  1 ? 
ATOM   1428 N  N   . GLN A 1 199 ? 7.173   -12.561 -24.255 1.000 21.793 0 199 GLN A N   1 ? 
ATOM   1429 C  CA  . GLN A 1 199 ? 7.291   -13.291 -25.505 1.000 23.810 0 199 GLN A CA  1 ? 
ATOM   1430 C  C   . GLN A 1 199 ? 6.675   -12.459 -26.637 1.000 24.849 0 199 GLN A C   1 ? 
ATOM   1431 O  O   . GLN A 1 199 ? 5.685   -11.758 -26.450 1.000 23.928 0 199 GLN A O   1 ? 
ATOM   1432 C  CB  . GLN A 1 199 ? 6.621   -14.661 -25.361 1.000 26.572 0 199 GLN A CB  1 ? 
ATOM   1433 C  CG  . GLN A 1 199 ? 7.183   -15.543 -24.241 1.000 31.274 0 199 GLN A CG  1 ? 
ATOM   1434 C  CD  . GLN A 1 199 ? 8.659   -15.819 -24.403 1.000 37.207 0 199 GLN A CD  1 ? 
ATOM   1435 O  OE1 . GLN A 1 199 ? 9.114   -16.267 -25.452 1.000 40.688 0 199 GLN A OE1 1 ? 
ATOM   1436 N  NE2 . GLN A 1 199 ? 9.434   -15.524 -23.372 1.000 45.360 0 199 GLN A NE2 1 ? 
ATOM   1437 N  N   . LYS A 1 200 ? 7.252   -12.569 -27.836 1.000 27.579 0 200 LYS A N   1 ? 
ATOM   1438 C  CA  . LYS A 1 200 ? 6.756   -11.889 -29.028 1.000 29.756 0 200 LYS A CA  1 ? 
ATOM   1439 C  C   . LYS A 1 200 ? 5.307   -12.310 -29.289 1.000 28.558 0 200 LYS A C   1 ? 
ATOM   1440 O  O   . LYS A 1 200 ? 4.973   -13.474 -29.126 1.000 26.235 0 200 LYS A O   1 ? 
ATOM   1441 C  CB  . LYS A 1 200 ? 7.720   -12.237 -30.174 1.000 34.994 0 200 LYS A CB  1 ? 
ATOM   1442 C  CG  . LYS A 1 200 ? 7.448   -11.655 -31.551 1.000 41.629 0 200 LYS A CG  1 ? 
ATOM   1443 C  CD  . LYS A 1 200 ? 8.569   -12.028 -32.519 1.000 46.078 0 200 LYS A CD  1 ? 
ATOM   1444 C  CE  . LYS A 1 200 ? 8.143   -12.100 -33.971 1.000 51.330 0 200 LYS A CE  1 ? 
ATOM   1445 N  NZ  . LYS A 1 200 ? 7.935   -10.750 -34.550 1.000 56.707 0 200 LYS A NZ  1 ? 
ATOM   1446 N  N   . ASN A 1 201 ? 4.446   -11.329 -29.599 1.000 27.354 0 201 ASN A N   1 ? 
ATOM   1447 C  CA  . ASN A 1 201 ? 3.049   -11.527 -29.946 1.000 28.962 0 201 ASN A CA  1 ? 
ATOM   1448 C  C   . ASN A 1 201 ? 2.246   -12.159 -28.807 1.000 25.642 0 201 ASN A C   1 ? 
ATOM   1449 O  O   . ASN A 1 201 ? 1.160   -12.647 -29.056 1.000 23.865 0 201 ASN A O   1 ? 
ATOM   1450 C  CB  . ASN A 1 201 ? 2.897   -12.326 -31.250 1.000 33.609 0 201 ASN A CB  1 ? 
ATOM   1451 C  CG  . ASN A 1 201 ? 3.431   -11.564 -32.444 1.000 39.721 0 201 ASN A CG  1 ? 
ATOM   1452 O  OD1 . ASN A 1 201 ? 4.225   -12.083 -33.223 1.000 46.550 0 201 ASN A OD1 1 ? 
ATOM   1453 N  ND2 . ASN A 1 201 ? 3.012   -10.317 -32.588 1.000 43.681 0 201 ASN A ND2 1 ? 
ATOM   1454 N  N   . LYS A 1 202 ? 2.773   -12.135 -27.572 1.000 23.229 0 202 LYS A N   1 ? 
ATOM   1455 C  CA  . LYS A 1 202 ? 2.079   -12.682 -26.423 1.000 22.351 0 202 LYS A CA  1 ? 
ATOM   1456 C  C   . LYS A 1 202 ? 2.098   -11.637 -25.308 1.000 20.887 0 202 LYS A C   1 ? 
ATOM   1457 O  O   . LYS A 1 202 ? 2.809   -11.770 -24.331 1.000 19.476 0 202 LYS A O   1 ? 
ATOM   1458 C  CB  . LYS A 1 202 ? 2.693   -14.014 -25.985 1.000 24.958 0 202 LYS A CB  1 ? 
ATOM   1459 C  CG  . LYS A 1 202 ? 2.521   -15.141 -26.997 1.000 24.829 0 202 LYS A CG  1 ? 
ATOM   1460 C  CD  . LYS A 1 202 ? 1.088   -15.581 -27.176 1.000 29.468 0 202 LYS A CD  1 ? 
ATOM   1461 C  CE  . LYS A 1 202 ? 0.885   -16.236 -28.520 1.000 32.163 0 202 LYS A CE  1 ? 
ATOM   1462 N  NZ  . LYS A 1 202 ? -0.399  -16.973 -28.531 1.000 36.678 0 202 LYS A NZ  1 ? 
ATOM   1463 N  N   . PRO A 1 203 ? 1.282   -10.566 -25.420 1.000 20.794 0 203 PRO A N   1 ? 
ATOM   1464 C  CA  . PRO A 1 203 ? 1.242   -9.541  -24.380 1.000 19.150 0 203 PRO A CA  1 ? 
ATOM   1465 C  C   . PRO A 1 203 ? 0.552   -10.036 -23.102 1.000 16.498 0 203 PRO A C   1 ? 
ATOM   1466 O  O   . PRO A 1 203 ? -0.084  -11.082 -23.078 1.000 17.766 0 203 PRO A O   1 ? 
ATOM   1467 C  CB  . PRO A 1 203 ? 0.485   -8.395  -25.079 1.000 20.189 0 203 PRO A CB  1 ? 
ATOM   1468 C  CG  . PRO A 1 203 ? -0.437  -9.105  -26.031 1.000 21.831 0 203 PRO A CG  1 ? 
ATOM   1469 C  CD  . PRO A 1 203 ? 0.336   -10.312 -26.506 1.000 20.364 0 203 PRO A CD  1 ? 
ATOM   1470 N  N   . GLY A 1 204 ? 0.755   -9.282  -22.028 1.000 16.272 0 204 GLY A N   1 ? 
ATOM   1471 C  CA  . GLY A 1 204 ? 0.016   -9.467  -20.796 1.000 16.810 0 204 GLY A CA  1 ? 
ATOM   1472 C  C   . GLY A 1 204 ? -1.496  -9.291  -20.956 1.000 15.694 0 204 GLY A C   1 ? 
ATOM   1473 O  O   . GLY A 1 204 ? -1.994  -8.468  -21.737 1.000 17.697 0 204 GLY A O   1 ? 
ATOM   1474 N  N   . VAL A 1 205 ? -2.238  -10.111 -20.212 1.000 14.800 0 205 VAL A N   1 ? 
ATOM   1475 C  CA  . VAL A 1 205 ? -3.678  -10.027 -20.151 1.000 14.254 0 205 VAL A CA  1 ? 
ATOM   1476 C  C   . VAL A 1 205 ? -4.081  -9.660  -18.729 1.000 14.182 0 205 VAL A C   1 ? 
ATOM   1477 O  O   . VAL A 1 205 ? -3.565  -10.240 -17.766 1.000 13.528 0 205 VAL A O   1 ? 
ATOM   1478 C  CB  . VAL A 1 205 ? -4.372  -11.345 -20.563 1.000 14.110 0 205 VAL A CB  1 ? 
ATOM   1479 C  CG1 . VAL A 1 205 ? -5.885  -11.182 -20.562 1.000 14.430 0 205 VAL A CG1 1 ? 
ATOM   1480 C  CG2 . VAL A 1 205 ? -3.873  -11.882 -21.901 1.000 14.976 0 205 VAL A CG2 1 ? 
ATOM   1481 N  N   . TYR A 1 206 ? -4.953  -8.643  -18.630 1.000 13.012 0 206 TYR A N   1 ? 
ATOM   1482 C  CA  . TYR A 1 206 ? -5.327  -8.025  -17.375 1.000 12.289 0 206 TYR A CA  1 ? 
ATOM   1483 C  C   . TYR A 1 206 ? -6.843  -8.060  -17.176 1.000 12.990 0 206 TYR A C   1 ? 
ATOM   1484 O  O   . TYR A 1 206 ? -7.643  -7.925  -18.108 1.000 13.070 0 206 TYR A O   1 ? 
ATOM   1485 C  CB  . TYR A 1 206 ? -4.726  -6.618  -17.401 1.000 12.802 0 206 TYR A CB  1 ? 
ATOM   1486 C  CG  . TYR A 1 206 ? -3.233  -6.620  -17.564 1.000 12.843 0 206 TYR A CG  1 ? 
ATOM   1487 C  CD1 . TYR A 1 206 ? -2.413  -6.826  -16.468 1.000 12.899 0 206 TYR A CD1 1 ? 
ATOM   1488 C  CD2 . TYR A 1 206 ? -2.613  -6.525  -18.812 1.000 13.490 0 206 TYR A CD2 1 ? 
ATOM   1489 C  CE1 . TYR A 1 206 ? -1.042  -6.807  -16.580 1.000 14.479 0 206 TYR A CE1 1 ? 
ATOM   1490 C  CE2 . TYR A 1 206 ? -1.234  -6.567  -18.957 1.000 12.534 0 206 TYR A CE2 1 ? 
ATOM   1491 C  CZ  . TYR A 1 206 ? -0.440  -6.742  -17.829 1.000 13.039 0 206 TYR A CZ  1 ? 
ATOM   1492 O  OH  . TYR A 1 206 ? 0.925   -6.771  -17.868 1.000 13.993 0 206 TYR A OH  1 ? 
ATOM   1493 N  N   . THR A 1 207 ? -7.260  -8.234  -15.914 1.000 14.042 0 207 THR A N   1 ? 
ATOM   1494 C  CA  . THR A 1 207 ? -8.645  -8.081  -15.542 1.000 13.899 0 207 THR A CA  1 ? 
ATOM   1495 C  C   . THR A 1 207 ? -9.079  -6.622  -15.693 1.000 13.730 0 207 THR A C   1 ? 
ATOM   1496 O  O   . THR A 1 207 ? -8.405  -5.667  -15.233 1.000 14.833 0 207 THR A O   1 ? 
ATOM   1497 C  CB  . THR A 1 207 ? -8.906  -8.536  -14.100 1.000 14.266 0 207 THR A CB  1 ? 
ATOM   1498 O  OG1 . THR A 1 207 ? -8.217  -9.785  -13.952 1.000 14.233 0 207 THR A OG1 1 ? 
ATOM   1499 C  CG2 . THR A 1 207 ? -10.363 -8.657  -13.769 1.000 15.744 0 207 THR A CG2 1 ? 
ATOM   1500 N  N   . LYS A 1 208 ? -10.225 -6.475  -16.366 1.000 14.583 0 208 LYS A N   1 ? 
ATOM   1501 C  CA  . LYS A 1 208 ? -10.747 -5.151  -16.703 1.000 15.208 0 208 LYS A CA  1 ? 
ATOM   1502 C  C   . LYS A 1 208 ? -11.595 -4.649  -15.530 1.000 15.012 0 208 LYS A C   1 ? 
ATOM   1503 O  O   . LYS A 1 208 ? -12.800 -4.925  -15.444 1.000 15.969 0 208 LYS A O   1 ? 
ATOM   1504 C  CB  . LYS A 1 208 ? -11.533 -5.191  -18.015 1.000 17.484 0 208 LYS A CB  1 ? 
ATOM   1505 C  CG  . LYS A 1 208 ? -11.979 -3.837  -18.524 1.000 19.511 0 208 LYS A CG  1 ? 
ATOM   1506 C  CD  . LYS A 1 208 ? -12.925 -3.910  -19.704 1.000 22.461 0 208 LYS A CD  1 ? 
ATOM   1507 C  CE  . LYS A 1 208 ? -12.232 -4.376  -20.956 1.000 24.237 0 208 LYS A CE  1 ? 
ATOM   1508 N  NZ  . LYS A 1 208 ? -13.221 -4.641  -22.020 1.000 28.374 0 208 LYS A NZ  1 ? 
ATOM   1509 N  N   . VAL A 1 209 ? -10.942 -3.892  -14.645 1.000 13.931 0 209 VAL A N   1 ? 
ATOM   1510 C  CA  . VAL A 1 209 ? -11.502 -3.456  -13.363 1.000 13.841 0 209 VAL A CA  1 ? 
ATOM   1511 C  C   . VAL A 1 209 ? -12.800 -2.625  -13.507 1.000 14.864 0 209 VAL A C   1 ? 
ATOM   1512 O  O   . VAL A 1 209 ? -13.707 -2.745  -12.683 1.000 14.847 0 209 VAL A O   1 ? 
ATOM   1513 C  CB  . VAL A 1 209 ? -10.421 -2.700  -12.575 1.000 14.309 0 209 VAL A CB  1 ? 
ATOM   1514 C  CG1 . VAL A 1 209 ? -11.005 -2.021  -11.358 1.000 14.915 0 209 VAL A CG1 1 ? 
ATOM   1515 C  CG2 . VAL A 1 209 ? -9.246  -3.589  -12.195 1.000 14.938 0 209 VAL A CG2 1 ? 
ATOM   1516 N  N   . CYS A 1 210 ? -12.915 -1.818  -14.572 1.000 15.636 0 210 CYS A N   1 ? 
ATOM   1517 C  CA  . CYS A 1 210 ? -14.072 -0.950  -14.772 1.000 16.924 0 210 CYS A CA  1 ? 
ATOM   1518 C  C   . CYS A 1 210 ? -15.368 -1.747  -14.959 1.000 17.682 0 210 CYS A C   1 ? 
ATOM   1519 O  O   . CYS A 1 210 ? -16.440 -1.184  -14.808 1.000 19.064 0 210 CYS A O   1 ? 
ATOM   1520 C  CB  . CYS A 1 210 ? -13.905 -0.022  -15.962 1.000 17.466 0 210 CYS A CB  1 ? 
ATOM   1521 S  SG  . CYS A 1 210 ? -13.707 -0.867  -17.557 1.000 19.845 0 210 CYS A SG  1 ? 
ATOM   1522 N  N   . ASN A 1 211 ? -15.283 -3.067  -15.217 1.000 16.470 0 211 ASN A N   1 ? 
ATOM   1523 C  CA  . ASN A 1 211 ? -16.464 -3.909  -15.298 1.000 16.690 0 211 ASN A CA  1 ? 
ATOM   1524 C  C   . ASN A 1 211 ? -16.970 -4.298  -13.902 1.000 17.853 0 211 ASN A C   1 ? 
ATOM   1525 O  O   . ASN A 1 211 ? -18.073 -4.825  -13.798 1.000 20.736 0 211 ASN A O   1 ? 
ATOM   1526 C  CB  . ASN A 1 211 ? -16.214 -5.127  -16.188 1.000 17.350 0 211 ASN A CB  1 ? 
ATOM   1527 C  CG  . ASN A 1 211 ? -16.159 -4.792  -17.668 1.000 19.693 0 211 ASN A CG  1 ? 
ATOM   1528 O  OD1 . ASN A 1 211 ? -16.399 -3.655  -18.066 1.000 21.287 0 211 ASN A OD1 1 ? 
ATOM   1529 N  ND2 . ASN A 1 211 ? -15.921 -5.789  -18.504 1.000 22.478 0 211 ASN A ND2 1 ? 
ATOM   1530 N  N   . TYR A 1 212 ? -16.187 -4.036  -12.843 1.000 17.081 0 212 TYR A N   1 ? 
ATOM   1531 C  CA  . TYR A 1 212 ? -16.433 -4.645  -11.535 1.000 15.398 0 212 TYR A CA  1 ? 
ATOM   1532 C  C   . TYR A 1 212 ? -16.721 -3.606  -10.450 1.000 16.449 0 212 TYR A C   1 ? 
ATOM   1533 O  O   . TYR A 1 212 ? -16.884 -3.989  -9.292  1.000 16.046 0 212 TYR A O   1 ? 
ATOM   1534 C  CB  . TYR A 1 212 ? -15.234 -5.496  -11.105 1.000 16.131 0 212 TYR A CB  1 ? 
ATOM   1535 C  CG  . TYR A 1 212 ? -14.998 -6.663  -12.019 1.000 14.949 0 212 TYR A CG  1 ? 
ATOM   1536 C  CD1 . TYR A 1 212 ? -15.810 -7.780  -11.923 1.000 15.515 0 212 TYR A CD1 1 ? 
ATOM   1537 C  CD2 . TYR A 1 212 ? -14.066 -6.614  -13.037 1.000 15.209 0 212 TYR A CD2 1 ? 
ATOM   1538 C  CE1 . TYR A 1 212 ? -15.682 -8.814  -12.815 1.000 15.181 0 212 TYR A CE1 1 ? 
ATOM   1539 C  CE2 . TYR A 1 212 ? -13.889 -7.664  -13.910 1.000 13.798 0 212 TYR A CE2 1 ? 
ATOM   1540 C  CZ  . TYR A 1 212 ? -14.750 -8.735  -13.827 1.000 14.972 0 212 TYR A CZ  1 ? 
ATOM   1541 O  OH  . TYR A 1 212 ? -14.607 -9.804  -14.635 1.000 14.241 0 212 TYR A OH  1 ? 
ATOM   1542 N  N   . VAL A 1 213 ? -16.811 -2.321  -10.822 1.000 18.559 0 213 VAL A N   1 ? 
ATOM   1543 C  CA  . VAL A 1 213 ? -16.929 -1.246  -9.848  1.000 21.256 0 213 VAL A CA  1 ? 
ATOM   1544 C  C   . VAL A 1 213 ? -18.208 -1.383  -9.012  1.000 21.283 0 213 VAL A C   1 ? 
ATOM   1545 O  O   . VAL A 1 213 ? -18.155 -1.231  -7.806  1.000 20.259 0 213 VAL A O   1 ? 
ATOM   1546 C  CB  . VAL A 1 213 ? -16.805 0.126   -10.534 1.000 22.556 0 213 VAL A CB  1 ? 
ATOM   1547 C  CG1 . VAL A 1 213 ? -17.217 1.291   -9.632  1.000 24.546 0 213 VAL A CG1 1 ? 
ATOM   1548 C  CG2 . VAL A 1 213 ? -15.389 0.320   -11.044 1.000 23.222 0 213 VAL A CG2 1 ? 
ATOM   1549 N  N   . SER A 1 214 ? -19.348 -1.702  -9.630  1.000 20.479 0 214 SER A N   1 ? 
ATOM   1550 C  CA  . SER A 1 214 ? -20.590 -1.898  -8.896  1.000 21.347 0 214 SER A CA  1 ? 
ATOM   1551 C  C   . SER A 1 214 ? -20.452 -3.028  -7.884  1.000 18.652 0 214 SER A C   1 ? 
ATOM   1552 O  O   . SER A 1 214 ? -20.874 -2.883  -6.741  1.000 18.109 0 214 SER A O   1 ? 
ATOM   1553 C  CB  . SER A 1 214 ? -21.730 -2.198  -9.824  1.000 23.115 0 214 SER A CB  1 ? 
ATOM   1554 O  OG  . SER A 1 214 ? -21.893 -1.114  -10.706 1.000 26.896 0 214 SER A OG  1 ? 
ATOM   1555 N  N   . TRP A 1 215 ? -19.902 -4.164  -8.332  1.000 17.950 0 215 TRP A N   1 ? 
ATOM   1556 C  CA  . TRP A 1 215 ? -19.708 -5.296  -7.447  1.000 17.678 0 215 TRP A CA  1 ? 
ATOM   1557 C  C   . TRP A 1 215 ? -18.786 -4.933  -6.289  1.000 16.896 0 215 TRP A C   1 ? 
ATOM   1558 O  O   . TRP A 1 215 ? -19.066 -5.293  -5.152  1.000 19.692 0 215 TRP A O   1 ? 
ATOM   1559 C  CB  . TRP A 1 215 ? -19.160 -6.525  -8.195  1.000 17.682 0 215 TRP A CB  1 ? 
ATOM   1560 C  CG  . TRP A 1 215 ? -18.822 -7.662  -7.295  1.000 15.524 0 215 TRP A CG  1 ? 
ATOM   1561 C  CD1 . TRP A 1 215 ? -19.674 -8.492  -6.625  1.000 15.934 0 215 TRP A CD1 1 ? 
ATOM   1562 C  CD2 . TRP A 1 215 ? -17.492 -8.095  -6.964  1.000 15.858 0 215 TRP A CD2 1 ? 
ATOM   1563 N  NE1 . TRP A 1 215 ? -18.960 -9.406  -5.899  1.000 16.460 0 215 TRP A NE1 1 ? 
ATOM   1564 C  CE2 . TRP A 1 215 ? -17.623 -9.189  -6.088  1.000 15.918 0 215 TRP A CE2 1 ? 
ATOM   1565 C  CE3 . TRP A 1 215 ? -16.203 -7.645  -7.308  1.000 14.955 0 215 TRP A CE3 1 ? 
ATOM   1566 C  CZ2 . TRP A 1 215 ? -16.512 -9.870  -5.604  1.000 15.253 0 215 TRP A CZ2 1 ? 
ATOM   1567 C  CZ3 . TRP A 1 215 ? -15.104 -8.315  -6.802  1.000 16.372 0 215 TRP A CZ3 1 ? 
ATOM   1568 C  CH2 . TRP A 1 215 ? -15.267 -9.408  -5.955  1.000 16.887 0 215 TRP A CH2 1 ? 
ATOM   1569 N  N   . ILE A 1 216 ? -17.684 -4.241  -6.564  1.000 16.190 0 216 ILE A N   1 ? 
ATOM   1570 C  CA  . ILE A 1 216 ? -16.765 -3.870  -5.502  1.000 17.414 0 216 ILE A CA  1 ? 
ATOM   1571 C  C   . ILE A 1 216 ? -17.498 -2.982  -4.493  1.000 19.516 0 216 ILE A C   1 ? 
ATOM   1572 O  O   . ILE A 1 216 ? -17.436 -3.232  -3.295  1.000 19.569 0 216 ILE A O   1 ? 
ATOM   1573 C  CB  . ILE A 1 216 ? -15.503 -3.187  -6.065  1.000 17.808 0 216 ILE A CB  1 ? 
ATOM   1574 C  CG1 . ILE A 1 216 ? -14.630 -4.170  -6.852  1.000 18.067 0 216 ILE A CG1 1 ? 
ATOM   1575 C  CG2 . ILE A 1 216 ? -14.728 -2.509  -4.946  1.000 19.270 0 216 ILE A CG2 1 ? 
ATOM   1576 C  CD1 . ILE A 1 216 ? -13.597 -3.526  -7.731  1.000 20.854 0 216 ILE A CD1 1 ? 
ATOM   1577 N  N   . LYS A 1 217 ? -18.203 -1.956  -4.987  1.000 19.164 0 217 LYS A N   1 ? 
ATOM   1578 C  CA  . LYS A 1 217 ? -18.846 -0.977  -4.117  1.000 20.796 0 217 LYS A CA  1 ? 
ATOM   1579 C  C   . LYS A 1 217 ? -19.941 -1.615  -3.271  1.000 21.443 0 217 LYS A C   1 ? 
ATOM   1580 O  O   . LYS A 1 217 ? -20.032 -1.290  -2.082  1.000 24.162 0 217 LYS A O   1 ? 
ATOM   1581 C  CB  . LYS A 1 217 ? -19.412 0.185   -4.935  1.000 24.407 0 217 LYS A CB  1 ? 
ATOM   1582 C  CG  . LYS A 1 217 ? -18.356 1.173   -5.403  1.000 27.109 0 217 LYS A CG  1 ? 
ATOM   1583 C  CD  . LYS A 1 217 ? -18.928 2.270   -6.273  1.000 34.566 0 217 LYS A CD  1 ? 
ATOM   1584 C  CE  . LYS A 1 217 ? -17.865 3.206   -6.807  1.000 39.306 0 217 LYS A CE  1 ? 
ATOM   1585 N  NZ  . LYS A 1 217 ? -17.077 3.804   -5.703  1.000 42.828 0 217 LYS A NZ  1 ? 
ATOM   1586 N  N   . GLN A 1 218 ? -20.712 -2.522  -3.890  1.000 19.312 0 218 GLN A N   1 ? 
ATOM   1587 C  CA  . GLN A 1 218 ? -21.755 -3.305  -3.235  1.000 23.193 0 218 GLN A CA  1 ? 
ATOM   1588 C  C   . GLN A 1 218 ? -21.167 -4.158  -2.120  1.000 19.729 0 218 GLN A C   1 ? 
ATOM   1589 O  O   . GLN A 1 218 ? -21.742 -4.253  -1.037  1.000 20.072 0 218 GLN A O   1 ? 
ATOM   1590 C  CB  . GLN A 1 218 ? -22.514 -4.212  -4.226  1.000 26.129 0 218 GLN A CB  1 ? 
ATOM   1591 C  CG  . GLN A 1 218 ? -22.726 -5.653  -3.753  1.000 35.632 0 218 GLN A CG  1 ? 
ATOM   1592 C  CD  . GLN A 1 218 ? -23.680 -6.491  -4.578  1.000 40.609 0 218 GLN A CD  1 ? 
ATOM   1593 O  OE1 . GLN A 1 218 ? -24.610 -7.102  -4.046  1.000 48.849 0 218 GLN A OE1 1 ? 
ATOM   1594 N  NE2 . GLN A 1 218 ? -23.444 -6.564  -5.879  1.000 47.029 0 218 GLN A NE2 1 ? 
ATOM   1595 N  N   . THR A 1 219 ? -20.068 -4.851  -2.435  1.000 17.723 0 219 THR A N   1 ? 
ATOM   1596 C  CA  . THR A 1 219 ? -19.518 -5.839  -1.524  1.000 17.525 0 219 THR A CA  1 ? 
ATOM   1597 C  C   . THR A 1 219 ? -18.928 -5.117  -0.317  1.000 18.413 0 219 THR A C   1 ? 
ATOM   1598 O  O   . THR A 1 219 ? -19.126 -5.515  0.820   1.000 18.639 0 219 THR A O   1 ? 
ATOM   1599 C  CB  . THR A 1 219 ? -18.471 -6.709  -2.232  1.000 16.983 0 219 THR A CB  1 ? 
ATOM   1600 O  OG1 . THR A 1 219 ? -19.147 -7.405  -3.277  1.000 17.073 0 219 THR A OG1 1 ? 
ATOM   1601 C  CG2 . THR A 1 219 ? -17.764 -7.643  -1.270  1.000 16.567 0 219 THR A CG2 1 ? 
ATOM   1602 N  N   . ILE A 1 220 ? -18.175 -4.051  -0.583  1.000 19.924 0 220 ILE A N   1 ? 
ATOM   1603 C  CA  . ILE A 1 220 ? -17.523 -3.309  0.489   1.000 22.474 0 220 ILE A CA  1 ? 
ATOM   1604 C  C   . ILE A 1 220 ? -18.537 -2.615  1.400   1.000 22.330 0 220 ILE A C   1 ? 
ATOM   1605 O  O   . ILE A 1 220 ? -18.290 -2.458  2.591   1.000 25.601 0 220 ILE A O   1 ? 
ATOM   1606 C  CB  . ILE A 1 220 ? -16.513 -2.328  -0.129  1.000 26.851 0 220 ILE A CB  1 ? 
ATOM   1607 C  CG1 . ILE A 1 220 ? -15.297 -3.100  -0.646  1.000 27.883 0 220 ILE A CG1 1 ? 
ATOM   1608 C  CG2 . ILE A 1 220 ? -16.123 -1.231  0.847   1.000 29.884 0 220 ILE A CG2 1 ? 
ATOM   1609 C  CD1 . ILE A 1 220 ? -14.278 -2.216  -1.344  1.000 29.658 0 220 ILE A CD1 1 ? 
ATOM   1610 N  N   . ALA A 1 221 ? -19.705 -2.268  0.867   1.000 21.685 0 221 ALA A N   1 ? 
ATOM   1611 C  CA  . ALA A 1 221 ? -20.713 -1.569  1.640   1.000 22.570 0 221 ALA A CA  1 ? 
ATOM   1612 C  C   . ALA A 1 221 ? -21.472 -2.523  2.573   1.000 22.543 0 221 ALA A C   1 ? 
ATOM   1613 O  O   . ALA A 1 221 ? -22.267 -2.057  3.385   1.000 25.232 0 221 ALA A O   1 ? 
ATOM   1614 C  CB  . ALA A 1 221 ? -21.607 -0.819  0.675   1.000 23.342 0 221 ALA A CB  1 ? 
ATOM   1615 N  N   . SER A 1 222 ? -21.184 -3.842  2.524   1.000 21.399 0 222 SER A N   1 ? 
ATOM   1616 C  CA  . SER A 1 222 ? -21.950 -4.867  3.230   1.000 23.249 0 222 SER A CA  1 ? 
ATOM   1617 C  C   . SER A 1 222 ? -21.077 -5.865  3.998   1.000 20.665 0 222 SER A C   1 ? 
ATOM   1618 O  O   . SER A 1 222 ? -21.596 -6.829  4.534   1.000 22.495 0 222 SER A O   1 ? 
ATOM   1619 C  CB  . SER A 1 222 ? -22.776 -5.636  2.252   1.000 26.209 0 222 SER A CB  1 ? 
ATOM   1620 O  OG  . SER A 1 222 ? -23.591 -4.777  1.482   1.000 31.668 0 222 SER A OG  1 ? 
ATOM   1621 N  N   . ASN A 1 223 ? -19.756 -5.685  4.013   1.000 18.967 0 223 ASN A N   1 ? 
ATOM   1622 C  CA  . ASN A 1 223 ? -18.813 -6.628  4.602   1.000 20.023 0 223 ASN A CA  1 ? 
ATOM   1623 C  C   . ASN A 1 223 ? -17.673 -5.881  5.322   1.000 19.529 0 223 ASN A C   1 ? 
ATOM   1624 O  O   . ASN A 1 223 ? -16.901 -6.548  6.003   1.000 21.417 0 223 ASN A O   1 ? 
ATOM   1625 C  CB  . ASN A 1 223 ? -18.197 -7.549  3.537   1.000 21.455 0 223 ASN A CB  1 ? 
ATOM   1626 C  CG  . ASN A 1 223 ? -19.202 -8.495  2.947   1.000 20.022 0 223 ASN A CG  1 ? 
ATOM   1627 O  OD1 . ASN A 1 223 ? -19.356 -9.596  3.466   1.000 21.866 0 223 ASN A OD1 1 ? 
ATOM   1628 N  ND2 . ASN A 1 223 ? -19.822 -8.127  1.833   1.000 20.433 0 223 ASN A ND2 1 ? 
ATOM   1629 O  OXT . ASN A 1 223 ? -17.608 -4.676  5.171   1.000 21.226 0 223 ASN A OXT 1 ? 
HETATM 1630 CA CA  . CA  B 2 .   ? 10.631  -4.130  3.530   1.000 17.974 0 301 CA  A CA  1 ? 
HETATM 1631 C  C1  . BEN C 3 .   ? 2.008   -12.923 -17.081 1.000 24.806 0 302 BEN A C1  1 ? 
HETATM 1632 C  C2  . BEN C 3 .   ? 1.310   -12.431 -15.988 1.000 24.996 0 302 BEN A C2  1 ? 
HETATM 1633 C  C3  . BEN C 3 .   ? 1.017   -13.243 -14.900 1.000 27.479 0 302 BEN A C3  1 ? 
HETATM 1634 C  C4  . BEN C 3 .   ? 1.455   -14.540 -14.858 1.000 26.452 0 302 BEN A C4  1 ? 
HETATM 1635 C  C5  . BEN C 3 .   ? 2.151   -15.042 -15.927 1.000 27.890 0 302 BEN A C5  1 ? 
HETATM 1636 C  C6  . BEN C 3 .   ? 2.448   -14.239 -17.025 1.000 26.034 0 302 BEN A C6  1 ? 
HETATM 1637 C  C   . BEN C 3 .   ? 2.313   -12.044 -18.251 1.000 21.938 0 302 BEN A C   1 ? 
HETATM 1638 N  N1  . BEN C 3 .   ? 1.991   -10.783 -18.366 1.000 19.958 0 302 BEN A N1  1 ? 
HETATM 1639 N  N2  . BEN C 3 .   ? 2.972   -12.575 -19.290 1.000 19.493 0 302 BEN A N2  1 ? 
HETATM 1640 O  O   . HOH D 4 .   ? -5.664  -19.311 -28.836 1.000 59.509 0 401 HOH A O   1 ? 
HETATM 1641 O  O   . HOH D 4 .   ? 11.009  -2.076  2.545   1.000 22.269 0 402 HOH A O   1 ? 
HETATM 1642 O  O   . HOH D 4 .   ? 19.097  -5.974  -0.949  1.000 39.341 0 403 HOH A O   1 ? 
HETATM 1643 O  O   . HOH D 4 .   ? -13.485 -2.205  -22.342 1.000 50.276 0 404 HOH A O   1 ? 
HETATM 1644 O  O   . HOH D 4 .   ? 11.610  0.221   -5.924  1.000 19.244 0 405 HOH A O   1 ? 
HETATM 1645 O  O   . HOH D 4 .   ? -11.437 -6.860  12.041  1.000 49.006 0 406 HOH A O   1 ? 
HETATM 1646 O  O   . HOH D 4 .   ? 14.114  0.845   -4.569  1.000 28.270 0 407 HOH A O   1 ? 
HETATM 1647 O  O   . HOH D 4 .   ? 2.186   -6.391  -20.035 1.000 16.176 0 408 HOH A O   1 ? 
HETATM 1648 O  O   . HOH D 4 .   ? -4.516  -4.927  -8.082  1.000 17.072 0 409 HOH A O   1 ? 
HETATM 1649 O  O   . HOH D 4 .   ? -7.188  -15.609 2.726   1.000 42.370 0 410 HOH A O   1 ? 
HETATM 1650 O  O   . HOH D 4 .   ? 4.827   2.048   -0.480  1.000 27.236 0 411 HOH A O   1 ? 
HETATM 1651 O  O   . HOH D 4 .   ? 1.951   -18.635 -18.971 1.000 37.972 0 412 HOH A O   1 ? 
HETATM 1652 O  O   . HOH D 4 .   ? -22.146 -1.498  -13.237 1.000 58.826 0 413 HOH A O   1 ? 
HETATM 1653 O  O   . HOH D 4 .   ? -10.742 -1.146  -16.391 1.000 14.044 0 414 HOH A O   1 ? 
HETATM 1654 O  O   . HOH D 4 .   ? 14.983  0.035   -0.740  1.000 37.536 0 415 HOH A O   1 ? 
HETATM 1655 O  O   . HOH D 4 .   ? -8.117  5.553   -16.189 1.000 31.816 0 416 HOH A O   1 ? 
HETATM 1656 O  O   . HOH D 4 .   ? 10.750  -11.188 -5.378  1.000 27.499 0 417 HOH A O   1 ? 
HETATM 1657 O  O   . HOH D 4 .   ? -0.967  -9.788  11.446  1.000 55.256 0 418 HOH A O   1 ? 
HETATM 1658 O  O   . HOH D 4 .   ? 4.607   -13.488 -22.913 1.000 24.025 0 419 HOH A O   1 ? 
HETATM 1659 O  O   . HOH D 4 .   ? -6.045  7.520   -7.591  1.000 34.669 0 420 HOH A O   1 ? 
HETATM 1660 O  O   . HOH D 4 .   ? 4.355   8.081   -2.721  1.000 43.882 0 421 HOH A O   1 ? 
HETATM 1661 O  O   . HOH D 4 .   ? 3.622   3.111   7.003   1.000 25.874 0 422 HOH A O   1 ? 
HETATM 1662 O  O   . HOH D 4 .   ? -12.390 6.965   -23.919 1.000 42.115 0 423 HOH A O   1 ? 
HETATM 1663 O  O   . HOH D 4 .   ? 7.767   -8.634  2.816   1.000 16.283 0 424 HOH A O   1 ? 
HETATM 1664 O  O   . HOH D 4 .   ? 5.093   -1.582  -29.466 1.000 76.688 0 425 HOH A O   1 ? 
HETATM 1665 O  O   . HOH D 4 .   ? -9.541  -17.538 -21.381 1.000 26.692 0 426 HOH A O   1 ? 
HETATM 1666 O  O   . HOH D 4 .   ? 13.976  -7.750  -21.744 1.000 30.628 0 427 HOH A O   1 ? 
HETATM 1667 O  O   . HOH D 4 .   ? 12.524  -5.606  -14.694 1.000 24.286 0 428 HOH A O   1 ? 
HETATM 1668 O  O   . HOH D 4 .   ? 4.154   -7.384  -23.249 1.000 21.983 0 429 HOH A O   1 ? 
HETATM 1669 O  O   . HOH D 4 .   ? -5.697  6.698   -25.968 1.000 19.368 0 430 HOH A O   1 ? 
HETATM 1670 O  O   . HOH D 4 .   ? 1.525   0.079   0.175   1.000 22.420 0 431 HOH A O   1 ? 
HETATM 1671 O  O   . HOH D 4 .   ? -0.201  3.895   12.714  1.000 50.698 0 432 HOH A O   1 ? 
HETATM 1672 O  O   . HOH D 4 .   ? 4.181   -8.605  -6.944  1.000 15.788 0 433 HOH A O   1 ? 
HETATM 1673 O  O   . HOH D 4 .   ? 9.217   -2.629  -27.542 1.000 56.205 0 434 HOH A O   1 ? 
HETATM 1674 O  O   . HOH D 4 .   ? 9.491   -7.402  -10.650 1.000 14.657 0 435 HOH A O   1 ? 
HETATM 1675 O  O   . HOH D 4 .   ? 2.329   -6.982  -8.575  1.000 12.944 0 436 HOH A O   1 ? 
HETATM 1676 O  O   . HOH D 4 .   ? 16.819  -9.603  -14.687 1.000 53.550 0 437 HOH A O   1 ? 
HETATM 1677 O  O   . HOH D 4 .   ? 14.255  4.966   -3.795  1.000 41.261 0 438 HOH A O   1 ? 
HETATM 1678 O  O   . HOH D 4 .   ? 4.810   -9.883  -24.152 1.000 30.244 0 439 HOH A O   1 ? 
HETATM 1679 O  O   . HOH D 4 .   ? 8.343   -16.737 -21.008 1.000 32.100 0 440 HOH A O   1 ? 
HETATM 1680 O  O   . HOH D 4 .   ? -8.931  -27.649 -14.863 1.000 20.062 0 441 HOH A O   1 ? 
HETATM 1681 O  O   . HOH D 4 .   ? -7.683  5.976   -21.037 1.000 37.906 0 442 HOH A O   1 ? 
HETATM 1682 O  O   . HOH D 4 .   ? -7.362  -23.125 5.541   1.000 45.174 0 443 HOH A O   1 ? 
HETATM 1683 O  O   . HOH D 4 .   ? 10.299  -16.765 -17.251 1.000 42.117 0 444 HOH A O   1 ? 
HETATM 1684 O  O   . HOH D 4 .   ? -2.482  -18.802 -24.605 1.000 43.527 0 445 HOH A O   1 ? 
HETATM 1685 O  O   . HOH D 4 .   ? 14.297  -7.595  -17.067 1.000 29.861 0 446 HOH A O   1 ? 
HETATM 1686 O  O   . HOH D 4 .   ? 4.734   -0.435  -1.912  1.000 23.281 0 447 HOH A O   1 ? 
HETATM 1687 O  O   . HOH D 4 .   ? -8.504  -12.325 -16.540 1.000 17.763 0 448 HOH A O   1 ? 
HETATM 1688 O  O   . HOH D 4 .   ? 21.364  -13.969 -14.723 1.000 56.311 0 449 HOH A O   1 ? 
HETATM 1689 O  O   . HOH D 4 .   ? 8.318   0.561   -3.004  1.000 23.147 0 450 HOH A O   1 ? 
HETATM 1690 O  O   . HOH D 4 .   ? 9.492   0.131   3.925   1.000 27.089 0 451 HOH A O   1 ? 
HETATM 1691 O  O   . HOH D 4 .   ? -10.925 -14.744 -30.280 1.000 41.672 0 452 HOH A O   1 ? 
HETATM 1692 O  O   . HOH D 4 .   ? -9.847  -14.009 -28.068 1.000 29.203 0 453 HOH A O   1 ? 
HETATM 1693 O  O   . HOH D 4 .   ? -19.681 -8.234  -11.398 1.000 24.249 0 454 HOH A O   1 ? 
HETATM 1694 O  O   . HOH D 4 .   ? -8.383  9.983   -14.417 1.000 42.518 0 455 HOH A O   1 ? 
HETATM 1695 O  O   . HOH D 4 .   ? 1.200   0.446   -10.589 1.000 17.375 0 456 HOH A O   1 ? 
HETATM 1696 O  O   . HOH D 4 .   ? -16.696 -2.545  6.778   1.000 38.680 0 457 HOH A O   1 ? 
HETATM 1697 O  O   . HOH D 4 .   ? -17.608 -19.108 -9.713  1.000 36.284 0 458 HOH A O   1 ? 
HETATM 1698 O  O   . HOH D 4 .   ? 6.004   -10.442 1.362   1.000 14.993 0 459 HOH A O   1 ? 
HETATM 1699 O  O   . HOH D 4 .   ? -15.284 -18.243 -19.079 1.000 35.721 0 460 HOH A O   1 ? 
HETATM 1700 O  O   . HOH D 4 .   ? -3.085  -8.219  11.696  1.000 30.921 0 461 HOH A O   1 ? 
HETATM 1701 O  O   . HOH D 4 .   ? -1.346  7.275   -13.924 1.000 26.849 0 462 HOH A O   1 ? 
HETATM 1702 O  O   . HOH D 4 .   ? -7.013  -5.117  -25.173 1.000 18.368 0 463 HOH A O   1 ? 
HETATM 1703 O  O   . HOH D 4 .   ? 14.859  -6.923  8.192   1.000 27.817 0 464 HOH A O   1 ? 
HETATM 1704 O  O   . HOH D 4 .   ? -12.314 4.845   -5.705  1.000 34.524 0 465 HOH A O   1 ? 
HETATM 1705 O  O   . HOH D 4 .   ? -13.304 -15.056 3.717   1.000 44.665 0 466 HOH A O   1 ? 
HETATM 1706 O  O   . HOH D 4 .   ? -19.760 -4.786  -11.471 1.000 25.676 0 467 HOH A O   1 ? 
HETATM 1707 O  O   . HOH D 4 .   ? -1.613  -16.661 -14.491 1.000 27.117 0 468 HOH A O   1 ? 
HETATM 1708 O  O   . HOH D 4 .   ? -4.871  8.336   -2.040  1.000 38.743 0 469 HOH A O   1 ? 
HETATM 1709 O  O   . HOH D 4 .   ? 10.834  -8.668  5.083   1.000 24.259 0 470 HOH A O   1 ? 
HETATM 1710 O  O   . HOH D 4 .   ? -16.153 -1.825  4.411   1.000 30.478 0 471 HOH A O   1 ? 
HETATM 1711 O  O   . HOH D 4 .   ? 3.808   -2.881  0.055   1.000 22.237 0 472 HOH A O   1 ? 
HETATM 1712 O  O   . HOH D 4 .   ? -19.032 -13.854 -16.204 1.000 36.997 0 473 HOH A O   1 ? 
HETATM 1713 O  O   . HOH D 4 .   ? 6.348   1.981   -3.734  1.000 31.386 0 474 HOH A O   1 ? 
HETATM 1714 O  O   . HOH D 4 .   ? 3.501   -0.464  11.183  1.000 44.887 0 475 HOH A O   1 ? 
HETATM 1715 O  O   . HOH D 4 .   ? -23.398 -2.249  -5.456  1.000 46.831 0 476 HOH A O   1 ? 
HETATM 1716 O  O   . HOH D 4 .   ? 9.606   7.186   7.981   1.000 55.665 0 477 HOH A O   1 ? 
HETATM 1717 O  O   . HOH D 4 .   ? -8.883  6.051   1.148   1.000 44.717 0 478 HOH A O   1 ? 
HETATM 1718 O  O   . HOH D 4 .   ? -18.733 -8.298  -16.228 1.000 58.756 0 479 HOH A O   1 ? 
HETATM 1719 O  O   . HOH D 4 .   ? 9.927   -6.052  4.660   1.000 19.927 0 480 HOH A O   1 ? 
HETATM 1720 O  O   . HOH D 4 .   ? 11.013  -0.189  -19.384 1.000 49.112 0 481 HOH A O   1 ? 
HETATM 1721 O  O   . HOH D 4 .   ? -12.353 -14.300 -27.855 1.000 51.893 0 482 HOH A O   1 ? 
HETATM 1722 O  O   . HOH D 4 .   ? -11.244 -11.408 -16.153 1.000 17.814 0 483 HOH A O   1 ? 
HETATM 1723 O  O   . HOH D 4 .   ? 3.207   -3.808  11.028  1.000 43.820 0 484 HOH A O   1 ? 
HETATM 1724 O  O   . HOH D 4 .   ? -8.973  -24.862 -12.689 1.000 36.601 0 485 HOH A O   1 ? 
HETATM 1725 O  O   . HOH D 4 .   ? -3.020  -2.169  -30.588 1.000 35.545 0 486 HOH A O   1 ? 
HETATM 1726 O  O   . HOH D 4 .   ? -25.196 -3.899  3.795   1.000 58.367 0 487 HOH A O   1 ? 
HETATM 1727 O  O   . HOH D 4 .   ? -12.267 -7.614  -24.519 1.000 49.870 0 488 HOH A O   1 ? 
HETATM 1728 O  O   . HOH D 4 .   ? -1.040  -18.804 -26.303 1.000 50.022 0 489 HOH A O   1 ? 
HETATM 1729 O  O   . HOH D 4 .   ? -0.725  -10.012 -16.982 1.000 18.226 0 490 HOH A O   1 ? 
HETATM 1730 O  O   . HOH D 4 .   ? -20.540 -6.167  -14.768 1.000 44.657 0 491 HOH A O   1 ? 
HETATM 1731 O  O   . HOH D 4 .   ? -2.988  -19.695 -27.740 1.000 51.282 0 492 HOH A O   1 ? 
HETATM 1732 O  O   . HOH D 4 .   ? 3.062   -14.331 7.153   1.000 37.428 0 493 HOH A O   1 ? 
HETATM 1733 O  O   . HOH D 4 .   ? 16.653  -1.879  -0.425  1.000 38.413 0 494 HOH A O   1 ? 
HETATM 1734 O  O   . HOH D 4 .   ? -13.450 -21.328 -10.716 1.000 18.776 0 495 HOH A O   1 ? 
HETATM 1735 O  O   . HOH D 4 .   ? -1.132  7.769   -22.427 1.000 34.695 0 496 HOH A O   1 ? 
HETATM 1736 O  O   . HOH D 4 .   ? -4.641  7.550   0.483   1.000 42.073 0 497 HOH A O   1 ? 
HETATM 1737 O  O   . HOH D 4 .   ? 3.253   -3.229  -29.330 1.000 41.006 0 498 HOH A O   1 ? 
HETATM 1738 O  O   . HOH D 4 .   ? -18.928 -10.709 -15.367 1.000 46.940 0 499 HOH A O   1 ? 
HETATM 1739 O  O   . HOH D 4 .   ? -17.281 -11.640 -23.516 1.000 40.155 0 500 HOH A O   1 ? 
HETATM 1740 O  O   . HOH D 4 .   ? 18.323  -0.266  -8.872  1.000 42.159 0 501 HOH A O   1 ? 
HETATM 1741 O  O   . HOH D 4 .   ? 16.236  0.601   -12.929 1.000 29.907 0 502 HOH A O   1 ? 
HETATM 1742 O  O   . HOH D 4 .   ? 15.135  -4.092  -13.387 1.000 53.184 0 503 HOH A O   1 ? 
HETATM 1743 O  O   . HOH D 4 .   ? -5.679  6.032   7.799   1.000 50.573 0 504 HOH A O   1 ? 
HETATM 1744 O  O   . HOH D 4 .   ? -9.751  -1.170  12.340  1.000 43.268 0 505 HOH A O   1 ? 
HETATM 1745 O  O   . HOH D 4 .   ? -20.345 -12.402 -14.425 1.000 54.582 0 506 HOH A O   1 ? 
HETATM 1746 O  O   . HOH D 4 .   ? -16.701 3.114   -19.904 1.000 35.029 0 507 HOH A O   1 ? 
HETATM 1747 O  O   . HOH D 4 .   ? -19.055 1.548   -0.807  1.000 45.582 0 508 HOH A O   1 ? 
HETATM 1748 O  O   . HOH D 4 .   ? -19.519 -1.682  -12.904 1.000 35.099 0 509 HOH A O   1 ? 
HETATM 1749 O  O   . HOH D 4 .   ? -9.881  -14.051 -32.506 1.000 58.387 0 510 HOH A O   1 ? 
HETATM 1750 O  O   . HOH D 4 .   ? 8.830   1.292   -21.375 1.000 50.053 0 511 HOH A O   1 ? 
HETATM 1751 O  O   . HOH D 4 .   ? -3.619  -11.034 13.623  1.000 57.508 0 512 HOH A O   1 ? 
HETATM 1752 O  O   . HOH D 4 .   ? 1.219   -19.634 -30.216 1.000 60.936 0 513 HOH A O   1 ? 
HETATM 1753 O  O   . HOH D 4 .   ? -1.004  -19.776 -10.336 1.000 55.728 0 514 HOH A O   1 ? 
HETATM 1754 O  O   . HOH D 4 .   ? -2.655  -18.677 -12.937 1.000 59.062 0 515 HOH A O   1 ? 
HETATM 1755 O  O   . HOH D 4 .   ? 3.799   -19.323 -10.518 1.000 49.178 0 516 HOH A O   1 ? 
HETATM 1756 O  O   . HOH D 4 .   ? -17.066 -13.532 -22.693 1.000 60.434 0 517 HOH A O   1 ? 
HETATM 1757 O  O   . HOH D 4 .   ? -15.987 -15.180 3.976   1.000 35.729 0 518 HOH A O   1 ? 
HETATM 1758 O  O   . HOH D 4 .   ? -14.029 -15.862 -29.554 1.000 49.379 0 519 HOH A O   1 ? 
HETATM 1759 O  O   . HOH D 4 .   ? -3.051  9.718   -2.125  1.000 42.714 0 520 HOH A O   1 ? 
# 
