data_9AWU
# 
_entry.id   9AWU 
# 
_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   9AWU         pdb_00009awu 10.2210/pdb9awu/pdb 
WWPDB D_1000282214 ?            ?                   
# 
_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                        9AWU 
_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 300 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    86 ?        ? ? ? 
# 
_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 35  HOH HOH A . 
D 4 HOH 2  402 78  HOH HOH A . 
D 4 HOH 3  403 2   HOH HOH A . 
D 4 HOH 4  404 18  HOH HOH A . 
D 4 HOH 5  405 76  HOH HOH A . 
D 4 HOH 6  406 58  HOH HOH A . 
D 4 HOH 7  407 21  HOH HOH A . 
D 4 HOH 8  408 73  HOH HOH A . 
D 4 HOH 9  409 60  HOH HOH A . 
D 4 HOH 10 410 33  HOH HOH A . 
D 4 HOH 11 411 37  HOH HOH A . 
D 4 HOH 12 412 61  HOH HOH A . 
D 4 HOH 13 413 9   HOH HOH A . 
D 4 HOH 14 414 39  HOH HOH A . 
D 4 HOH 15 415 34  HOH HOH A . 
D 4 HOH 16 416 3   HOH HOH A . 
D 4 HOH 17 417 48  HOH HOH A . 
D 4 HOH 18 418 49  HOH HOH A . 
D 4 HOH 19 419 54  HOH HOH A . 
D 4 HOH 20 420 10  HOH HOH A . 
D 4 HOH 21 421 65  HOH HOH A . 
D 4 HOH 22 422 62  HOH HOH A . 
D 4 HOH 23 423 31  HOH HOH A . 
D 4 HOH 24 424 24  HOH HOH A . 
D 4 HOH 25 425 16  HOH HOH A . 
D 4 HOH 26 426 4   HOH HOH A . 
D 4 HOH 27 427 38  HOH HOH A . 
D 4 HOH 28 428 52  HOH HOH A . 
D 4 HOH 29 429 17  HOH HOH A . 
D 4 HOH 30 430 29  HOH HOH A . 
D 4 HOH 31 431 11  HOH HOH A . 
D 4 HOH 32 432 15  HOH HOH A . 
D 4 HOH 33 433 14  HOH HOH A . 
D 4 HOH 34 434 28  HOH HOH A . 
D 4 HOH 35 435 63  HOH HOH A . 
D 4 HOH 36 436 74  HOH HOH A . 
D 4 HOH 37 437 32  HOH HOH A . 
D 4 HOH 38 438 26  HOH HOH A . 
D 4 HOH 39 439 23  HOH HOH A . 
D 4 HOH 40 440 72  HOH HOH A . 
D 4 HOH 41 441 44  HOH HOH A . 
D 4 HOH 42 442 27  HOH HOH A . 
D 4 HOH 43 443 64  HOH HOH A . 
D 4 HOH 44 444 47  HOH HOH A . 
D 4 HOH 45 445 13  HOH HOH A . 
D 4 HOH 46 446 82  HOH HOH A . 
D 4 HOH 47 447 25  HOH HOH A . 
D 4 HOH 48 448 55  HOH HOH A . 
D 4 HOH 49 449 84  HOH HOH A . 
D 4 HOH 50 450 40  HOH HOH A . 
D 4 HOH 51 451 22  HOH HOH A . 
D 4 HOH 52 452 19  HOH HOH A . 
D 4 HOH 53 453 6   HOH HOH A . 
D 4 HOH 54 454 70  HOH HOH A . 
D 4 HOH 55 455 56  HOH HOH A . 
D 4 HOH 56 456 8   HOH HOH A . 
D 4 HOH 57 457 12  HOH HOH A . 
D 4 HOH 58 458 7   HOH HOH A . 
D 4 HOH 59 459 77  HOH HOH A . 
D 4 HOH 60 460 45  HOH HOH A . 
D 4 HOH 61 461 43  HOH HOH A . 
D 4 HOH 62 462 30  HOH HOH A . 
D 4 HOH 63 463 59  HOH HOH A . 
D 4 HOH 64 464 83  HOH HOH A . 
D 4 HOH 65 465 57  HOH HOH A . 
D 4 HOH 66 466 36  HOH HOH A . 
D 4 HOH 67 467 66  HOH HOH A . 
D 4 HOH 68 468 5   HOH HOH A . 
D 4 HOH 69 469 42  HOH HOH A . 
D 4 HOH 70 470 81  HOH HOH A . 
D 4 HOH 71 471 85  HOH HOH A . 
D 4 HOH 72 472 71  HOH HOH A . 
D 4 HOH 73 473 1   HOH HOH A . 
D 4 HOH 74 474 20  HOH HOH A . 
D 4 HOH 75 475 79  HOH HOH A . 
D 4 HOH 76 476 50  HOH HOH A . 
D 4 HOH 77 477 53  HOH HOH A . 
D 4 HOH 78 478 41  HOH HOH A . 
D 4 HOH 79 479 86  HOH HOH A . 
D 4 HOH 80 480 46  HOH HOH A . 
D 4 HOH 81 481 67  HOH HOH A . 
D 4 HOH 82 482 68  HOH HOH A . 
D 4 HOH 83 483 51  HOH HOH A . 
D 4 HOH 84 484 75  HOH HOH A . 
D 4 HOH 85 485 80  HOH HOH A . 
D 4 HOH 86 486 69  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' ? ? ? ? ? ? ? ? ? ? ? 'PROTEUM PLUS' ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? 'PROTEUM PLUS' ? ? ? .        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                     9AWU 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     54.333 
_cell.length_a_esd                 ? 
_cell.length_b                     57.390 
_cell.length_b_esd                 ? 
_cell.length_c                     67.409 
_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                         9AWU 
_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                   9AWU 
_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          45.40 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              9.4 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.2 M Potassium phosphate dibasic, 20% w/v Polyethylene glycol 3,350.' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     300 
_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                                       9AWU 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.482 
_reflns.d_resolution_low                               23.071 
_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                                     34783 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           97.42 
_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                          7.820 
_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                                   0.716 
_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                                     23.07 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1754 
_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                                  0.716 
_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]                            0.006 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.010 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            0.004 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               18.287 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.961 
_refine.correlation_coeff_Fo_to_Fc_free          0.946 
_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                                 9AWU 
_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                            1.482 
_refine.ls_d_res_low                             23.071 
_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                     34783 
_refine.ls_number_reflns_R_free                  1754 
_refine.ls_number_reflns_R_work                  33029 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    97.423 
_refine.ls_percent_reflns_R_free                 5.043 
_refine.ls_R_factor_all                          0.204 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2397 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2022 
_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                       0.079 
_refine.pdbx_overall_ESU_R_Free                  0.083 
_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                             2.047 
_refine.overall_SU_ML                            0.069 
_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             86 
_refine_hist.number_atoms_total               1725 
_refine_hist.d_res_high                       1.482 
_refine_hist.d_res_low                        23.071 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.009  0.011  1669 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1484 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.584  1.619  2263 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.552  1.552  3479 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.643  5.000  222  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 11.220 10.000 2    ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.709  5.000  1    ? r_dihedral_angle_other_2_deg   ? ? 
'X-RAY DIFFRACTION' ? 12.877 10.000 269  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 17.735 10.000 58   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.074  0.200  254  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  1898 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  310  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.218  0.200  268  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.200  0.200  1366 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.181  0.200  841  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.087  0.200  980  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.394  0.200  66   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.037  0.200  1    ? r_symmetry_xyhbond_nbd_other   ? ? 
'X-RAY DIFFRACTION' ? 0.125  0.200  5    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.304  0.200  8    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.303  0.200  24   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.188  0.200  4    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.753  1.754  891  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.751  1.754  891  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.580  2.629  1112 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.579  2.629  1113 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.002  2.030  778  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.001  2.029  779  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.595  2.897  1151 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.595  2.897  1151 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.696  24.627 1817 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.603  24.486 1810 ? 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' 1.482 1.520  2594 . 102 1664 68.0802  . 0.462 . . 0.463 . . . . . 0.452 . 20 . 0.811 0.815 0.460 
'X-RAY DIFFRACTION' 1.520 1.561  2508 . 124 2346 98.4848  . 0.447 . . 0.448 . . . . . 0.435 . 20 . 0.822 0.839 0.428 
'X-RAY DIFFRACTION' 1.561 1.607  2469 . 111 2350 99.6760  . 0.411 . . 0.414 . . . . . 0.409 . 20 . 0.860 0.889 0.352 
'X-RAY DIFFRACTION' 1.607 1.656  2369 . 107 2251 99.5357  . 0.366 . . 0.365 . . . . . 0.345 . 20 . 0.900 0.892 0.389 
'X-RAY DIFFRACTION' 1.656 1.710  2335 . 127 2206 99.9143  . 0.306 . . 0.306 . . . . . 0.275 . 20 . 0.933 0.925 0.309 
'X-RAY DIFFRACTION' 1.710 1.769  2252 . 130 2118 99.8224  . 0.263 . . 0.259 . . . . . 0.228 . 20 . 0.952 0.933 0.330 
'X-RAY DIFFRACTION' 1.769 1.836  2170 . 97  2071 99.9078  . 0.223 . . 0.220 . . . . . 0.189 . 20 . 0.966 0.952 0.285 
'X-RAY DIFFRACTION' 1.836 1.910  2076 . 110 1964 99.9037  . 0.184 . . 0.183 . . . . . 0.156 . 20 . 0.977 0.970 0.202 
'X-RAY DIFFRACTION' 1.910 1.995  2032 . 122 1909 99.9508  . 0.166 . . 0.165 . . . . . 0.141 . 20 . 0.982 0.976 0.195 
'X-RAY DIFFRACTION' 1.995 2.091  1920 . 104 1816 100.0000 . 0.169 . . 0.167 . . . . . 0.146 . 20 . 0.982 0.971 0.211 
'X-RAY DIFFRACTION' 2.091 2.203  1843 . 95  1748 100.0000 . 0.175 . . 0.173 . . . . . 0.153 . 20 . 0.982 0.977 0.203 
'X-RAY DIFFRACTION' 2.203 2.336  1752 . 75  1677 100.0000 . 0.166 . . 0.164 . . . . . 0.147 . 20 . 0.984 0.964 0.218 
'X-RAY DIFFRACTION' 2.336 2.495  1646 . 69  1576 99.9392  . 0.162 . . 0.162 . . . . . 0.143 . 20 . 0.983 0.983 0.169 
'X-RAY DIFFRACTION' 2.495 2.692  1531 . 70  1461 100.0000 . 0.169 . . 0.167 . . . . . 0.151 . 20 . 0.983 0.971 0.215 
'X-RAY DIFFRACTION' 2.692 2.945  1424 . 87  1337 100.0000 . 0.182 . . 0.179 . . . . . 0.166 . 20 . 0.980 0.964 0.239 
'X-RAY DIFFRACTION' 2.945 3.286  1304 . 60  1244 100.0000 . 0.174 . . 0.170 . . . . . 0.163 . 20 . 0.981 0.964 0.248 
'X-RAY DIFFRACTION' 3.286 3.782  1163 . 55  1105 99.7421  . 0.149 . . 0.147 . . . . . 0.147 . 20 . 0.986 0.981 0.182 
'X-RAY DIFFRACTION' 3.782 4.601  992  . 53  938  99.8992  . 0.156 . . 0.155 . . . . . 0.163 . 20 . 0.986 0.984 0.182 
'X-RAY DIFFRACTION' 4.601 6.381  805  . 29  774  99.7515  . 0.186 . . 0.183 . . . . . 0.192 . 20 . 0.982 0.975 0.283 
'X-RAY DIFFRACTION' 6.381 23.071 503  . 27  474  99.6024  . 0.185 . . 0.185 . . . . . 0.208 . 20 . 0.973 0.988 0.194 
# 
_struct.entry_id                     9AWU 
_struct.title                        'Crystal structure of trypsin at 300 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        9AWU 
_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              9AWU 
_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 ? ? ? ? ? ? ? 2.004 ? ? 
disulf2 disulf ? ? A CYS 25  SG  ? ? ? 1_555 A CYS 41  SG ? ? A CYS 25  A CYS 41  1_555 ? ? ? ? ? ? ? 2.070 ? ? 
disulf3 disulf ? ? A CYS 109 SG  ? ? ? 1_555 A CYS 210 SG ? ? A CYS 109 A CYS 210 1_555 ? ? ? ? ? ? ? 2.035 ? ? 
disulf4 disulf ? ? A CYS 116 SG  ? ? ? 1_555 A CYS 183 SG ? ? A CYS 116 A CYS 183 1_555 ? ? ? ? ? ? ? 2.066 ? ? 
disulf5 disulf ? ? A CYS 148 SG  ? ? ? 1_555 A CYS 162 SG ? ? A CYS 148 A CYS 162 1_555 ? ? ? ? ? ? ? 1.965 ? ? 
disulf6 disulf ? ? A CYS 173 SG  ? ? ? 1_555 A CYS 197 SG ? ? A CYS 173 A CYS 197 1_555 ? ? ? ? ? ? ? 2.086 ? ? 
metalc1 metalc ? ? A GLU 52  OE1 ? ? ? 1_555 B CA  .   CA ? ? A GLU 52  A CA  301 1_555 ? ? ? ? ? ? ? 2.203 ? ? 
metalc2 metalc ? ? A ASN 54  O   ? ? ? 1_555 B CA  .   CA ? ? A ASN 54  A CA  301 1_555 ? ? ? ? ? ? ? 2.361 ? ? 
metalc3 metalc ? ? A VAL 57  O   ? ? ? 1_555 B CA  .   CA ? ? A VAL 57  A CA  301 1_555 ? ? ? ? ? ? ? 2.322 ? ? 
metalc4 metalc ? ? A GLU 59  OE1 ? ? ? 1_555 B CA  .   CA ? ? A GLU 59  A CA  301 1_555 ? ? ? ? ? ? ? 2.364 ? ? 
metalc5 metalc ? ? A GLU 62  OE2 ? ? ? 1_555 B CA  .   CA ? ? A GLU 62  A CA  301 1_555 ? ? ? ? ? ? ? 2.299 ? ? 
# 
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 89.9  ? 
2  OE1 ? A GLU 52 ? A GLU 52 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57 ? 1_555 161.7 ? 
3  O   ? A ASN 54 ? A ASN 54 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57 ? 1_555 81.7  ? 
4  OE1 ? A GLU 52 ? A GLU 52 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE1 ? A GLU 59 ? A GLU 59 ? 1_555 98.9  ? 
5  O   ? A ASN 54 ? A ASN 54 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE1 ? A GLU 59 ? A GLU 59 ? 1_555 86.4  ? 
6  O   ? A VAL 57 ? A VAL 57 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE1 ? A GLU 59 ? A GLU 59 ? 1_555 96.7  ? 
7  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 99.8  ? 
8  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_555 166.1 ? 
9  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 91.6  ? 
10 OE1 ? A GLU 59 ? A GLU 59 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62 ? 1_555 82.3  ? 
# 
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  ? LEU A 29  ? HIS A 23  LEU A 29  
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 ARG A 49  ? O ARG A 49  N SER A 17  ? N SER A 17  
# 
_pdbx_entry_details.entry_id                   9AWU 
_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_
_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                    9AWU 
_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]   0.018405 
_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]   0.017425 
_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]   0.014835 
_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   ? 8.279   -20.039 13.232  1.000 12.513 0 1   ILE A N   1 ? 
ATOM   2    C  CA  . ILE A 1 1   ? 8.291   -21.009 14.362  1.000 13.021 0 1   ILE A CA  1 ? 
ATOM   3    C  C   . ILE A 1 1   ? 9.546   -20.765 15.189  1.000 13.433 0 1   ILE A C   1 ? 
ATOM   4    O  O   . ILE A 1 1   ? 10.657  -20.834 14.642  1.000 14.386 0 1   ILE A O   1 ? 
ATOM   5    C  CB  . ILE A 1 1   ? 8.314   -22.449 13.806  1.000 13.778 0 1   ILE A CB  1 ? 
ATOM   6    C  CG1 . ILE A 1 1   ? 7.136   -22.838 12.908  1.000 14.772 0 1   ILE A CG1 1 ? 
ATOM   7    C  CG2 . ILE A 1 1   ? 8.411   -23.432 14.970  1.000 15.064 0 1   ILE A CG2 1 ? 
ATOM   8    C  CD1 . ILE A 1 1   ? 5.825   -22.762 13.575  1.000 14.871 0 1   ILE A CD1 1 ? 
ATOM   9    N  N   . VAL A 1 2   ? 9.370   -20.564 16.500  1.000 13.563 0 2   VAL A N   1 ? 
ATOM   10   C  CA  . VAL A 1 2   ? 10.508  -20.368 17.399  1.000 14.842 0 2   VAL A CA  1 ? 
ATOM   11   C  C   . VAL A 1 2   ? 10.703  -21.667 18.165  1.000 15.383 0 2   VAL A C   1 ? 
ATOM   12   O  O   . VAL A 1 2   ? 9.738   -22.178 18.742  1.000 16.347 0 2   VAL A O   1 ? 
ATOM   13   C  CB  . VAL A 1 2   ? 10.170  -19.229 18.380  1.000 15.792 0 2   VAL A CB  1 ? 
ATOM   14   C  CG1 . VAL A 1 2   ? 11.291  -19.003 19.400  1.000 18.691 0 2   VAL A CG1 1 ? 
ATOM   15   C  CG2 . VAL A 1 2   ? 9.792   -17.937 17.662  1.000 16.941 0 2   VAL A CG2 1 ? 
ATOM   16   N  N   . GLY A 1 3   ? 11.926  -22.209 18.139  1.000 16.502 0 3   GLY A N   1 ? 
ATOM   17   C  CA  . GLY A 1 3   ? 12.269  -23.346 18.986  1.000 16.744 0 3   GLY A CA  1 ? 
ATOM   18   C  C   . GLY A 1 3   ? 11.787  -24.669 18.414  1.000 17.102 0 3   GLY A C   1 ? 
ATOM   19   O  O   . GLY A 1 3   ? 11.572  -25.614 19.148  1.000 19.399 0 3   GLY A O   1 ? 
ATOM   20   N  N   . GLY A 1 4   ? 11.562  -24.742 17.105  1.000 17.502 0 4   GLY A N   1 ? 
ATOM   21   C  CA  . GLY A 1 4   ? 11.035  -25.947 16.501  1.000 17.159 0 4   GLY A CA  1 ? 
ATOM   22   C  C   . GLY A 1 4   ? 12.156  -26.693 15.794  1.000 17.400 0 4   GLY A C   1 ? 
ATOM   23   O  O   . GLY A 1 4   ? 13.321  -26.485 16.136  1.000 21.233 0 4   GLY A O   1 ? 
ATOM   24   N  N   . TYR A 1 5   ? 11.818  -27.500 14.793  1.000 15.684 0 5   TYR A N   1 ? 
ATOM   25   C  CA  . TYR A 1 5   ? 12.784  -28.302 14.094  1.000 17.447 0 5   TYR A CA  1 ? 
ATOM   26   C  C   . TYR A 1 5   ? 12.490  -28.250 12.606  1.000 15.963 0 5   TYR A C   1 ? 
ATOM   27   O  O   . TYR A 1 5   ? 11.368  -27.962 12.194  1.000 14.533 0 5   TYR A O   1 ? 
ATOM   28   C  CB  . TYR A 1 5   ? 12.800  -29.731 14.637  1.000 16.645 0 5   TYR A CB  1 ? 
ATOM   29   C  CG  . TYR A 1 5   ? 11.493  -30.460 14.537  1.000 15.727 0 5   TYR A CG  1 ? 
ATOM   30   C  CD1 . TYR A 1 5   ? 10.467  -30.195 15.429  1.000 17.236 0 5   TYR A CD1 1 ? 
ATOM   31   C  CD2 . TYR A 1 5   ? 11.267  -31.370 13.519  1.000 15.594 0 5   TYR A CD2 1 ? 
ATOM   32   C  CE1 . TYR A 1 5   ? 9.268   -30.870 15.347  1.000 16.629 0 5   TYR A CE1 1 ? 
ATOM   33   C  CE2 . TYR A 1 5   ? 10.060  -32.036 13.430  1.000 14.880 0 5   TYR A CE2 1 ? 
ATOM   34   C  CZ  . TYR A 1 5   ? 9.066   -31.764 14.331  1.000 16.104 0 5   TYR A CZ  1 ? 
ATOM   35   O  OH  . TYR A 1 5   ? 7.878   -32.431 14.251  1.000 18.641 0 5   TYR A OH  1 ? 
ATOM   36   N  N   . THR A 1 6   ? 13.482  -28.584 11.778  1.000 17.226 0 6   THR A N   1 ? 
ATOM   37   C  CA  . THR A 1 6   ? 13.251  -28.666 10.346  1.000 17.666 0 6   THR A CA  1 ? 
ATOM   38   C  C   . THR A 1 6   ? 12.383  -29.870 10.001  1.000 18.488 0 6   THR A C   1 ? 
ATOM   39   O  O   . THR A 1 6   ? 12.757  -30.999 10.304  1.000 19.278 0 6   THR A O   1 ? 
ATOM   40   C  CB  . THR A 1 6   ? 14.590  -28.730 9.590   1.000 20.192 0 6   THR A CB  1 ? 
ATOM   41   O  OG1 . THR A 1 6   ? 15.293  -27.557 9.955   1.000 21.167 0 6   THR A OG1 1 ? 
ATOM   42   C  CG2 . THR A 1 6   ? 14.417  -28.777 8.092   1.000 22.647 0 6   THR A CG2 1 ? 
ATOM   43   N  N   . CYS A 1 7   ? 11.188  -29.665 9.395   1.000 15.876 0 7   CYS A N   1 ? 
ATOM   44   C  CA  . CYS A 1 7   ? 10.226  -30.747 9.225   1.000 16.343 0 7   CYS A CA  1 ? 
ATOM   45   C  C   . CYS A 1 7   ? 10.812  -31.874 8.395   1.000 20.494 0 7   CYS A C   1 ? 
ATOM   46   O  O   . CYS A 1 7   ? 10.584  -33.061 8.676   1.000 22.093 0 7   CYS A O   1 ? 
ATOM   47   C  CB  . CYS A 1 7   ? 8.975   -30.236 8.512   1.000 15.221 0 7   CYS A CB  1 ? 
ATOM   48   S  SG  . CYS A 1 7   ? 8.166   -28.866 9.331   1.000 14.763 0 7   CYS A SG  1 ? 
ATOM   49   N  N   . GLY A 1 8   ? 11.559  -31.484 7.365   1.000 21.495 0 8   GLY A N   1 ? 
ATOM   50   C  CA  . GLY A 1 8   ? 11.967  -32.412 6.318   1.000 22.545 0 8   GLY A CA  1 ? 
ATOM   51   C  C   . GLY A 1 8   ? 11.060  -32.242 5.112   1.000 23.013 0 8   GLY A C   1 ? 
ATOM   52   O  O   . GLY A 1 8   ? 9.846   -32.067 5.256   1.000 21.109 0 8   GLY A O   1 ? 
ATOM   53   N  N   . ALA A 1 9   ? 11.651  -32.308 3.919   1.000 22.374 0 9   ALA A N   1 ? 
ATOM   54   C  CA  . ALA A 1 9   ? 10.930  -32.030 2.679   1.000 25.123 0 9   ALA A CA  1 ? 
ATOM   55   C  C   . ALA A 1 9   ? 9.643   -32.849 2.538   1.000 25.219 0 9   ALA A C   1 ? 
ATOM   56   O  O   . ALA A 1 9   ? 9.663   -34.074 2.574   1.000 24.981 0 9   ALA A O   1 ? 
ATOM   57   C  CB  . ALA A 1 9   ? 11.841  -32.264 1.500   1.000 25.920 0 9   ALA A CB  1 ? 
ATOM   58   N  N   . ASN A 1 10  ? 8.526   -32.135 2.350   1.000 28.018 0 10  ASN A N   1 ? 
ATOM   59   C  CA  . ASN A 1 10  ? 7.252   -32.725 1.970   1.000 27.991 0 10  ASN A CA  1 ? 
ATOM   60   C  C   . ASN A 1 10  ? 6.789   -33.754 3.008   1.000 24.649 0 10  ASN A C   1 ? 
ATOM   61   O  O   . ASN A 1 10  ? 6.026   -34.652 2.679   1.000 28.741 0 10  ASN A O   1 ? 
ATOM   62   C  CB  . ASN A 1 10  ? 7.315   -33.283 0.537   1.000 32.128 0 10  ASN A CB  1 ? 
ATOM   63   C  CG  . ASN A 1 10  ? 7.966   -32.350 -0.469  1.000 34.574 0 10  ASN A CG  1 ? 
ATOM   64   O  OD1 . ASN A 1 10  ? 9.041   -32.647 -0.988  1.000 35.806 0 10  ASN A OD1 1 ? 
ATOM   65   N  ND2 . ASN A 1 10  ? 7.329   -31.227 -0.764  1.000 34.121 0 10  ASN A ND2 1 ? 
ATOM   66   N  N   . THR A 1 11  ? 7.137   -33.561 4.297   1.000 20.924 0 11  THR A N   1 ? 
ATOM   67   C  CA  . THR A 1 11  ? 6.582   -34.353 5.387   1.000 19.327 0 11  THR A CA  1 ? 
ATOM   68   C  C   . THR A 1 11  ? 5.309   -33.715 5.967   1.000 19.699 0 11  THR A C   1 ? 
ATOM   69   O  O   . THR A 1 11  ? 4.658   -34.287 6.840   1.000 19.350 0 11  THR A O   1 ? 
ATOM   70   C  CB  . THR A 1 11  ? 7.591   -34.528 6.520   1.000 22.257 0 11  THR A CB  1 ? 
ATOM   71   O  OG1 . THR A 1 11  ? 7.913   -33.241 7.023   1.000 24.304 0 11  THR A OG1 1 ? 
ATOM   72   C  CG2 . THR A 1 11  ? 8.869   -35.213 6.084   1.000 23.325 0 11  THR A CG2 1 ? 
ATOM   73   N  N   . VAL A 1 12  ? 4.971   -32.497 5.493   1.000 17.712 0 12  VAL A N   1 ? 
ATOM   74   C  CA  . VAL A 1 12  ? 3.753   -31.787 5.873   1.000 14.864 0 12  VAL A CA  1 ? 
ATOM   75   C  C   . VAL A 1 12  ? 3.062   -31.415 4.564   1.000 14.854 0 12  VAL A C   1 ? 
ATOM   76   O  O   . VAL A 1 12  ? 3.121   -30.273 4.098   1.000 14.743 0 12  VAL A O   1 ? 
ATOM   77   C  CB  . VAL A 1 12  ? 4.046   -30.563 6.772   1.000 15.342 0 12  VAL A CB  1 ? 
ATOM   78   C  CG1 . VAL A 1 12  ? 2.809   -30.045 7.452   1.000 17.228 0 12  VAL A CG1 1 ? 
ATOM   79   C  CG2 . VAL A 1 12  ? 5.083   -30.873 7.824   1.000 17.785 0 12  VAL A CG2 1 ? 
ATOM   80   N  N   . PRO A 1 13  ? 2.468   -32.411 3.864   1.000 15.336 0 13  PRO A N   1 ? 
ATOM   81   C  CA  . PRO A 1 13  ? 2.070   -32.233 2.474   1.000 14.298 0 13  PRO A CA  1 ? 
ATOM   82   C  C   . PRO A 1 13  ? 0.842   -31.364 2.240   1.000 12.564 0 13  PRO A C   1 ? 
ATOM   83   O  O   . PRO A 1 13  ? 0.579   -30.947 1.125   1.000 12.781 0 13  PRO A O   1 ? 
ATOM   84   C  CB  . PRO A 1 13  ? 1.805   -33.665 1.998   1.000 15.462 0 13  PRO A CB  1 ? 
ATOM   85   C  CG  . PRO A 1 13  ? 1.420   -34.404 3.218   1.000 14.280 0 13  PRO A CG  1 ? 
ATOM   86   C  CD  . PRO A 1 13  ? 2.219   -33.788 4.336   1.000 15.873 0 13  PRO A CD  1 ? 
ATOM   87   N  N   . TYR A 1 14  ? 0.205   -30.963 3.328   1.000 11.695 0 14  TYR A N   1 ? 
ATOM   88   C  CA  . TYR A 1 14  ? -0.978  -30.125 3.293   1.000 12.076 0 14  TYR A CA  1 ? 
ATOM   89   C  C   . TYR A 1 14  ? -0.636  -28.655 3.546   1.000 12.328 0 14  TYR A C   1 ? 
ATOM   90   O  O   . TYR A 1 14  ? -1.498  -27.792 3.406   1.000 11.990 0 14  TYR A O   1 ? 
ATOM   91   C  CB  . TYR A 1 14  ? -2.022  -30.602 4.319   1.000 12.997 0 14  TYR A CB  1 ? 
ATOM   92   C  CG  . TYR A 1 14  ? -1.441  -30.809 5.685   1.000 12.929 0 14  TYR A CG  1 ? 
ATOM   93   C  CD1 . TYR A 1 14  ? -1.270  -29.765 6.556   1.000 13.053 0 14  TYR A CD1 1 ? 
ATOM   94   C  CD2 . TYR A 1 14  ? -0.979  -32.050 6.090   1.000 13.704 0 14  TYR A CD2 1 ? 
ATOM   95   C  CE1 . TYR A 1 14  ? -0.676  -29.959 7.793   1.000 14.567 0 14  TYR A CE1 1 ? 
ATOM   96   C  CE2 . TYR A 1 14  ? -0.374  -32.256 7.303   1.000 12.658 0 14  TYR A CE2 1 ? 
ATOM   97   C  CZ  . TYR A 1 14  ? -0.244  -31.215 8.186   1.000 13.944 0 14  TYR A CZ  1 ? 
ATOM   98   O  OH  . TYR A 1 14  ? 0.373   -31.371 9.404   1.000 14.813 0 14  TYR A OH  1 ? 
ATOM   99   N  N   . GLN A 1 15  ? 0.618   -28.378 3.888   1.000 12.500 0 15  GLN A N   1 ? 
ATOM   100  C  CA  . GLN A 1 15  ? 1.069   -27.016 4.155   1.000 12.559 0 15  GLN A CA  1 ? 
ATOM   101  C  C   . GLN A 1 15  ? 1.153   -26.245 2.843   1.000 12.341 0 15  GLN A C   1 ? 
ATOM   102  O  O   . GLN A 1 15  ? 1.779   -26.727 1.852   1.000 12.850 0 15  GLN A O   1 ? 
ATOM   103  C  CB  . GLN A 1 15  ? 2.467   -27.042 4.767   1.000 13.893 0 15  GLN A CB  1 ? 
ATOM   104  C  CG  . GLN A 1 15  ? 3.014   -25.635 4.973   1.000 13.063 0 15  GLN A CG  1 ? 
ATOM   105  C  CD  . GLN A 1 15  ? 2.537   -24.890 6.197   1.000 13.932 0 15  GLN A CD  1 ? 
ATOM   106  O  OE1 . GLN A 1 15  ? 2.541   -25.453 7.289   1.000 15.502 0 15  GLN A OE1 1 ? 
ATOM   107  N  NE2 . GLN A 1 15  ? 2.140   -23.630 6.067   1.000 14.129 0 15  GLN A NE2 1 ? 
ATOM   108  N  N   . VAL A 1 16  ? 0.557   -25.038 2.814   1.000 11.530 0 16  VAL A N   1 ? 
ATOM   109  C  CA  . VAL A 1 16  ? 0.769   -24.191 1.644   1.000 12.744 0 16  VAL A CA  1 ? 
ATOM   110  C  C   . VAL A 1 16  ? 1.399   -22.872 2.087   1.000 10.739 0 16  VAL A C   1 ? 
ATOM   111  O  O   . VAL A 1 16  ? 1.298   -22.429 3.235   1.000 10.225 0 16  VAL A O   1 ? 
ATOM   112  C  CB  . VAL A 1 16  ? -0.507  -23.968 0.812   1.000 17.535 0 16  VAL A CB  1 ? 
ATOM   113  C  CG1 . VAL A 1 16  ? -1.306  -25.258 0.623   1.000 18.740 0 16  VAL A CG1 1 ? 
ATOM   114  C  CG2 . VAL A 1 16  ? -1.383  -22.931 1.439   1.000 17.562 0 16  VAL A CG2 1 ? 
ATOM   115  N  N   . SER A 1 17  ? 1.991   -22.191 1.099   1.000 10.806 0 17  SER A N   1 ? 
ATOM   116  C  CA  . SER A 1 17  ? 2.479   -20.826 1.263   1.000 11.660 0 17  SER A CA  1 ? 
ATOM   117  C  C   . SER A 1 17  ? 1.551   -19.931 0.458   1.000 11.046 0 17  SER A C   1 ? 
ATOM   118  O  O   . SER A 1 17  ? 1.270   -20.301 -0.689  1.000 14.443 0 17  SER A O   1 ? 
ATOM   119  C  CB  . SER A 1 17  ? 3.908   -20.710 0.774   1.000 12.006 0 17  SER A CB  1 ? 
ATOM   120  O  OG  . SER A 1 17  ? 4.297   -19.343 0.598   1.000 11.894 0 17  SER A OG  1 ? 
ATOM   121  N  N   . LEU A 1 18  ? 1.086   -18.831 1.055   1.000 11.499 0 18  LEU A N   1 ? 
ATOM   122  C  CA  . LEU A 1 18  ? 0.408   -17.786 0.304   1.000 10.928 0 18  LEU A CA  1 ? 
ATOM   123  C  C   . LEU A 1 18  ? 1.441   -16.749 -0.130  1.000 11.834 0 18  LEU A C   1 ? 
ATOM   124  O  O   . LEU A 1 18  ? 2.164   -16.192 0.695   1.000 11.776 0 18  LEU A O   1 ? 
ATOM   125  C  CB  . LEU A 1 18  ? -0.697  -17.139 1.143   1.000 11.234 0 18  LEU A CB  1 ? 
ATOM   126  C  CG  . LEU A 1 18  ? -1.699  -18.135 1.749   1.000 12.561 0 18  LEU A CG  1 ? 
ATOM   127  C  CD1 . LEU A 1 18  ? -2.833  -17.379 2.444   1.000 12.246 0 18  LEU A CD1 1 ? 
ATOM   128  C  CD2 . LEU A 1 18  ? -2.226  -19.103 0.720   1.000 14.695 0 18  LEU A CD2 1 ? 
ATOM   129  N  N   . ASN A 1 19  ? 1.385   -16.432 -1.425  1.000 12.148 0 19  ASN A N   1 ? 
ATOM   130  C  CA  . ASN A 1 19  ? 2.391   -15.613 -2.069  1.000 11.496 0 19  ASN A CA  1 ? 
ATOM   131  C  C   . ASN A 1 19  ? 1.725   -14.426 -2.759  1.000 12.487 0 19  ASN A C   1 ? 
ATOM   132  O  O   . ASN A 1 19  ? 0.831   -14.627 -3.557  1.000 14.372 0 19  ASN A O   1 ? 
ATOM   133  C  CB  . ASN A 1 19  ? 3.233   -16.419 -3.049  1.000 12.017 0 19  ASN A CB  1 ? 
ATOM   134  C  CG  . ASN A 1 19  ? 4.425   -15.663 -3.573  1.000 12.276 0 19  ASN A CG  1 ? 
ATOM   135  O  OD1 . ASN A 1 19  ? 4.255   -14.760 -4.385  1.000 13.825 0 19  ASN A OD1 1 ? 
ATOM   136  N  ND2 . ASN A 1 19  ? 5.616   -16.037 -3.142  1.000 12.802 0 19  ASN A ND2 1 ? 
ATOM   137  N  N   . SER A 1 20  ? 2.147   -13.219 -2.401  1.000 12.904 0 20  SER A N   1 ? 
ATOM   138  C  CA  . SER A 1 20  ? 1.687   -12.029 -3.087  1.000 14.827 0 20  SER A CA  1 ? 
ATOM   139  C  C   . SER A 1 20  ? 2.875   -11.245 -3.652  1.000 15.373 0 20  SER A C   1 ? 
ATOM   140  O  O   . SER A 1 20  ? 2.942   -10.047 -3.479  1.000 18.941 0 20  SER A O   1 ? 
ATOM   141  C  CB  . SER A 1 20  ? 0.867   -11.202 -2.120  1.000 18.535 0 20  SER A CB  1 ? 
ATOM   142  O  OG  . SER A 1 20  ? 1.704   -10.674 -1.083  1.000 22.360 0 20  SER A OG  1 ? 
ATOM   143  N  N   . GLY A 1 21  ? 3.801   -11.935 -4.308  1.000 14.197 0 21  GLY A N   1 ? 
ATOM   144  C  CA  . GLY A 1 21  ? 5.098   -11.375 -4.642  1.000 14.256 0 21  GLY A CA  1 ? 
ATOM   145  C  C   . GLY A 1 21  ? 6.193   -11.794 -3.665  1.000 13.532 0 21  GLY A C   1 ? 
ATOM   146  O  O   . GLY A 1 21  ? 7.365   -11.580 -3.918  1.000 14.001 0 21  GLY A O   1 ? 
ATOM   147  N  N   . TYR A 1 22  ? 5.789   -12.386 -2.536  1.000 12.229 0 22  TYR A N   1 ? 
ATOM   148  C  CA  . TYR A 1 22  ? 6.587   -12.820 -1.400  1.000 13.044 0 22  TYR A CA  1 ? 
ATOM   149  C  C   . TYR A 1 22  ? 5.674   -13.702 -0.549  1.000 11.758 0 22  TYR A C   1 ? 
ATOM   150  O  O   . TYR A 1 22  ? 4.454   -13.562 -0.646  1.000 13.447 0 22  TYR A O   1 ? 
ATOM   151  C  CB  . TYR A 1 22  ? 7.142   -11.649 -0.597  1.000 13.459 0 22  TYR A CB  1 ? 
ATOM   152  C  CG  . TYR A 1 22  ? 6.129   -10.615 -0.208  1.000 15.014 0 22  TYR A CG  1 ? 
ATOM   153  C  CD1 . TYR A 1 22  ? 5.818   -9.578  -1.068  1.000 17.317 0 22  TYR A CD1 1 ? 
ATOM   154  C  CD2 . TYR A 1 22  ? 5.402   -10.743 0.967   1.000 16.439 0 22  TYR A CD2 1 ? 
ATOM   155  C  CE1 . TYR A 1 22  ? 4.826   -8.664  -0.775  1.000 19.489 0 22  TYR A CE1 1 ? 
ATOM   156  C  CE2 . TYR A 1 22  ? 4.409   -9.828  1.270   1.000 18.096 0 22  TYR A CE2 1 ? 
ATOM   157  C  CZ  . TYR A 1 22  ? 4.123   -8.797  0.400   1.000 19.597 0 22  TYR A CZ  1 ? 
ATOM   158  O  OH  . TYR A 1 22  ? 3.150   -7.873  0.680   1.000 24.107 0 22  TYR A OH  1 ? 
ATOM   159  N  N   . HIS A 1 23  ? 6.262   -14.620 0.223   1.000 12.845 0 23  HIS A N   1 ? 
ATOM   160  C  CA  . HIS A 1 23  ? 5.502   -15.371 1.212   1.000 12.275 0 23  HIS A CA  1 ? 
ATOM   161  C  C   . HIS A 1 23  ? 5.012   -14.431 2.301   1.000 13.243 0 23  HIS A C   1 ? 
ATOM   162  O  O   . HIS A 1 23  ? 5.808   -13.696 2.872   1.000 12.831 0 23  HIS A O   1 ? 
ATOM   163  C  CB  . HIS A 1 23  ? 6.383   -16.441 1.861   1.000 12.678 0 23  HIS A CB  1 ? 
ATOM   164  C  CG  . HIS A 1 23  ? 5.789   -17.119 3.059   1.000 12.023 0 23  HIS A CG  1 ? 
ATOM   165  N  ND1 . HIS A 1 23  ? 4.949   -18.177 3.000   1.000 12.564 0 23  HIS A ND1 1 ? 
ATOM   166  C  CD2 . HIS A 1 23  ? 5.835   -16.739 4.370   1.000 11.938 0 23  HIS A CD2 1 ? 
ATOM   167  C  CE1 . HIS A 1 23  ? 4.538   -18.486 4.240   1.000 12.967 0 23  HIS A CE1 1 ? 
ATOM   168  N  NE2 . HIS A 1 23  ? 5.072   -17.602 5.096   1.000 12.126 0 23  HIS A NE2 1 ? 
ATOM   169  N  N   . PHE A 1 24  ? 3.735   -14.559 2.670   1.000 12.012 0 24  PHE A N   1 ? 
ATOM   170  C  CA  . PHE A 1 24  ? 3.214   -13.701 3.713   1.000 11.387 0 24  PHE A CA  1 ? 
ATOM   171  C  C   . PHE A 1 24  ? 2.391   -14.462 4.756   1.000 10.696 0 24  PHE A C   1 ? 
ATOM   172  O  O   . PHE A 1 24  ? 2.123   -13.884 5.798   1.000 12.500 0 24  PHE A O   1 ? 
ATOM   173  C  CB  . PHE A 1 24  ? 2.506   -12.493 3.076   1.000 13.047 0 24  PHE A CB  1 ? 
ATOM   174  C  CG  . PHE A 1 24  ? 1.187   -12.834 2.438   1.000 13.368 0 24  PHE A CG  1 ? 
ATOM   175  C  CD1 . PHE A 1 24  ? 0.004   -12.844 3.181   1.000 13.694 0 24  PHE A CD1 1 ? 
ATOM   176  C  CD2 . PHE A 1 24  ? 1.122   -13.216 1.112   1.000 13.281 0 24  PHE A CD2 1 ? 
ATOM   177  C  CE1 . PHE A 1 24  ? -1.178  -13.216 2.574   1.000 14.187 0 24  PHE A CE1 1 ? 
ATOM   178  C  CE2 . PHE A 1 24  ? -0.078  -13.517 0.495   1.000 14.454 0 24  PHE A CE2 1 ? 
ATOM   179  C  CZ  . PHE A 1 24  ? -1.234  -13.559 1.246   1.000 15.418 0 24  PHE A CZ  1 ? 
ATOM   180  N  N   . CYS A 1 25  ? 1.913   -15.643 4.434   1.000 9.823  0 25  CYS A N   1 ? 
ATOM   181  C  CA  . CYS A 1 25  ? 1.083   -16.411 5.350   1.000 10.398 0 25  CYS A CA  1 ? 
ATOM   182  C  C   . CYS A 1 25  ? 1.073   -17.854 4.898   1.000 10.323 0 25  CYS A C   1 ? 
ATOM   183  O  O   . CYS A 1 25  ? 1.456   -18.226 3.783   1.000 11.318 0 25  CYS A O   1 ? 
ATOM   184  C  CB  . CYS A 1 25  ? -0.381  -15.941 5.338   1.000 9.251  0 25  CYS A CB  1 ? 
ATOM   185  S  SG  . CYS A 1 25  ? -0.720  -14.600 6.462   1.000 11.535 0 25  CYS A SG  1 ? 
ATOM   186  N  N   . GLY A 1 26  ? 0.696   -18.714 5.841   1.000 10.369 0 26  GLY A N   1 ? 
ATOM   187  C  CA  . GLY A 1 26  ? 0.527   -20.115 5.514   1.000 9.653  0 26  GLY A CA  1 ? 
ATOM   188  C  C   . GLY A 1 26  ? -0.944  -20.419 5.326   1.000 10.343 0 26  GLY A C   1 ? 
ATOM   189  O  O   . GLY A 1 26  ? -1.814  -19.537 5.361   1.000 9.156  0 26  GLY A O   1 ? 
ATOM   190  N  N   . GLY A 1 27  ? -1.164  -21.680 5.009   1.000 9.747  0 27  GLY A N   1 ? 
ATOM   191  C  CA  . GLY A 1 27  ? -2.509  -22.174 4.882   1.000 10.036 0 27  GLY A CA  1 ? 
ATOM   192  C  C   . GLY A 1 27  ? -2.485  -23.696 4.861   1.000 10.240 0 27  GLY A C   1 ? 
ATOM   193  O  O   . GLY A 1 27  ? -1.402  -24.270 4.880   1.000 8.909  0 27  GLY A O   1 ? 
ATOM   194  N  N   . SER A 1 28  ? -3.655  -24.318 4.727   1.000 11.134 0 28  SER A N   1 ? 
ATOM   195  C  CA  . SER A 1 28  ? -3.811  -25.774 4.725   1.000 12.692 0 28  SER A CA  1 ? 
ATOM   196  C  C   . SER A 1 28  ? -4.705  -26.192 3.561   1.000 12.484 0 28  SER A C   1 ? 
ATOM   197  O  O   . SER A 1 28  ? -5.761  -25.613 3.410   1.000 12.421 0 28  SER A O   1 ? 
ATOM   198  C  CB  . SER A 1 28  ? -4.457  -26.286 6.026   1.000 13.793 0 28  SER A CB  1 ? 
ATOM   199  O  OG  . SER A 1 28  ? -3.680  -25.951 7.177   1.000 17.043 0 28  SER A OG  1 ? 
ATOM   200  N  N   . LEU A 1 29  ? -4.292  -27.197 2.789   1.000 11.335 0 29  LEU A N   1 ? 
ATOM   201  C  CA  . LEU A 1 29  ? -5.073  -27.760 1.687   1.000 13.094 0 29  LEU A CA  1 ? 
ATOM   202  C  C   . LEU A 1 29  ? -6.080  -28.745 2.262   1.000 13.255 0 29  LEU A C   1 ? 
ATOM   203  O  O   . LEU A 1 29  ? -5.674  -29.713 2.890   1.000 14.783 0 29  LEU A O   1 ? 
ATOM   204  C  CB  . LEU A 1 29  ? -4.140  -28.477 0.721   1.000 14.847 0 29  LEU A CB  1 ? 
ATOM   205  C  CG  . LEU A 1 29  ? -4.785  -28.921 -0.580  1.000 17.944 0 29  LEU A CG  1 ? 
ATOM   206  C  CD1 . LEU A 1 29  ? -5.117  -27.723 -1.442  1.000 16.015 0 29  LEU A CD1 1 ? 
ATOM   207  C  CD2 . LEU A 1 29  ? -3.837  -29.874 -1.314  1.000 20.727 0 29  LEU A CD2 1 ? 
ATOM   208  N  N   . ILE A 1 30  ? -7.381  -28.482 2.080   1.000 13.047 0 30  ILE A N   1 ? 
ATOM   209  C  CA  . ILE A 1 30  ? -8.388  -29.375 2.632   1.000 14.801 0 30  ILE A CA  1 ? 
ATOM   210  C  C   . ILE A 1 30  ? -9.031  -30.260 1.565   1.000 16.014 0 30  ILE A C   1 ? 
ATOM   211  O  O   . ILE A 1 30  ? -9.675  -31.246 1.924   1.000 17.730 0 30  ILE A O   1 ? 
ATOM   212  C  CB  . ILE A 1 30  ? -9.399  -28.588 3.497   1.000 15.843 0 30  ILE A CB  1 ? 
ATOM   213  C  CG1 . ILE A 1 30  ? -10.122 -27.500 2.709   1.000 16.248 0 30  ILE A CG1 1 ? 
ATOM   214  C  CG2 . ILE A 1 30  ? -8.639  -28.044 4.689   1.000 16.726 0 30  ILE A CG2 1 ? 
ATOM   215  C  CD1 . ILE A 1 30  ? -11.407 -26.981 3.349   1.000 19.371 0 30  ILE A CD1 1 ? 
ATOM   216  N  N   . ASN A 1 31  ? -8.929  -29.885 0.303   1.000 16.441 0 31  ASN A N   1 ? 
ATOM   217  C  CA  . ASN A 1 31  ? -9.248  -30.781 -0.800  1.000 18.768 0 31  ASN A CA  1 ? 
ATOM   218  C  C   . ASN A 1 31  ? -8.519  -30.244 -2.033  1.000 19.586 0 31  ASN A C   1 ? 
ATOM   219  O  O   . ASN A 1 31  ? -7.646  -29.382 -1.934  1.000 18.677 0 31  ASN A O   1 ? 
ATOM   220  C  CB  . ASN A 1 31  ? -10.762 -30.928 -0.968  1.000 21.282 0 31  ASN A CB  1 ? 
ATOM   221  C  CG  . ASN A 1 31  ? -11.408 -29.603 -1.320  1.000 20.084 0 31  ASN A CG  1 ? 
ATOM   222  O  OD1 . ASN A 1 31  ? -10.902 -28.849 -2.144  1.000 20.551 0 31  ASN A OD1 1 ? 
ATOM   223  N  ND2 . ASN A 1 31  ? -12.530 -29.302 -0.692  1.000 24.085 0 31  ASN A ND2 1 ? 
ATOM   224  N  N   . SER A 1 32  ? -8.780  -30.770 -3.229  1.000 19.472 0 32  SER A N   1 ? 
ATOM   225  C  CA  . SER A 1 32  ? -7.936  -30.403 -4.354  1.000 18.982 0 32  SER A CA  1 ? 
ATOM   226  C  C   . SER A 1 32  ? -8.176  -28.980 -4.835  1.000 19.639 0 32  SER A C   1 ? 
ATOM   227  O  O   . SER A 1 32  ? -7.374  -28.482 -5.619  1.000 22.766 0 32  SER A O   1 ? 
ATOM   228  C  CB  . SER A 1 32  ? -8.113  -31.380 -5.519  1.000 21.555 0 32  SER A CB  1 ? 
ATOM   229  O  OG  . SER A 1 32  ? -9.429  -31.296 -5.973  1.000 21.316 0 32  SER A OG  1 ? 
ATOM   230  N  N   . GLN A 1 33  ? -9.235  -28.320 -4.356  1.000 16.848 0 33  GLN A N   1 ? 
ATOM   231  C  CA  . GLN A 1 33  ? -9.560  -26.998 -4.845  1.000 18.206 0 33  GLN A CA  1 ? 
ATOM   232  C  C   . GLN A 1 33  ? -9.636  -25.924 -3.761  1.000 14.544 0 33  GLN A C   1 ? 
ATOM   233  O  O   . GLN A 1 33  ? -9.837  -24.779 -4.125  1.000 15.644 0 33  GLN A O   1 ? 
ATOM   234  C  CB  . GLN A 1 33  ? -10.883 -27.032 -5.604  1.000 22.416 0 33  GLN A CB  1 ? 
ATOM   235  C  CG  . GLN A 1 33  ? -10.710 -27.589 -7.006  1.000 28.501 0 33  GLN A CG  1 ? 
ATOM   236  C  CD  . GLN A 1 33  ? -11.410 -26.722 -8.023  1.000 33.720 0 33  GLN A CD  1 ? 
ATOM   237  O  OE1 . GLN A 1 33  ? -12.636 -26.709 -8.076  1.000 37.361 0 33  GLN A OE1 1 ? 
ATOM   238  N  NE2 . GLN A 1 33  ? -10.648 -25.906 -8.742  1.000 35.066 0 33  GLN A NE2 1 ? 
ATOM   239  N  N   . TRP A 1 34  ? -9.442  -26.298 -2.489  1.000 12.568 0 34  TRP A N   1 ? 
ATOM   240  C  CA  . TRP A 1 34  ? -9.675  -25.352 -1.412  1.000 12.394 0 34  TRP A CA  1 ? 
ATOM   241  C  C   . TRP A 1 34  ? -8.573  -25.366 -0.358  1.000 12.023 0 34  TRP A C   1 ? 
ATOM   242  O  O   . TRP A 1 34  ? -8.083  -26.413 0.051   1.000 12.028 0 34  TRP A O   1 ? 
ATOM   243  C  CB  . TRP A 1 34  ? -10.997 -25.596 -0.689  1.000 13.081 0 34  TRP A CB  1 ? 
ATOM   244  C  CG  . TRP A 1 34  ? -12.194 -25.306 -1.539  1.000 13.949 0 34  TRP A CG  1 ? 
ATOM   245  C  CD1 . TRP A 1 34  ? -12.795 -26.143 -2.437  1.000 14.697 0 34  TRP A CD1 1 ? 
ATOM   246  C  CD2 . TRP A 1 34  ? -12.912 -24.064 -1.619  1.000 14.014 0 34  TRP A CD2 1 ? 
ATOM   247  N  NE1 . TRP A 1 34  ? -13.884 -25.520 -3.005  1.000 14.845 0 34  TRP A NE1 1 ? 
ATOM   248  C  CE2 . TRP A 1 34  ? -13.951 -24.231 -2.557  1.000 14.939 0 34  TRP A CE2 1 ? 
ATOM   249  C  CE3 . TRP A 1 34  ? -12.775 -22.831 -0.994  1.000 14.446 0 34  TRP A CE3 1 ? 
ATOM   250  C  CZ2 . TRP A 1 34  ? -14.879 -23.225 -2.813  1.000 14.398 0 34  TRP A CZ2 1 ? 
ATOM   251  C  CZ3 . TRP A 1 34  ? -13.660 -21.819 -1.284  1.000 14.385 0 34  TRP A CZ3 1 ? 
ATOM   252  C  CH2 . TRP A 1 34  ? -14.716 -22.030 -2.172  1.000 15.774 0 34  TRP A CH2 1 ? 
ATOM   253  N  N   . VAL A 1 35  ? -8.282  -24.159 0.122   1.000 13.075 0 35  VAL A N   1 ? 
ATOM   254  C  CA  . VAL A 1 35  ? -7.310  -23.922 1.168   1.000 11.270 0 35  VAL A CA  1 ? 
ATOM   255  C  C   . VAL A 1 35  ? -7.996  -23.175 2.296   1.000 10.763 0 35  VAL A C   1 ? 
ATOM   256  O  O   . VAL A 1 35  ? -8.801  -22.307 2.028   1.000 11.640 0 35  VAL A O   1 ? 
ATOM   257  C  CB  . VAL A 1 35  ? -6.174  -23.084 0.586   1.000 12.769 0 35  VAL A CB  1 ? 
ATOM   258  C  CG1 . VAL A 1 35  ? -5.324  -22.448 1.674   1.000 14.431 0 35  VAL A CG1 1 ? 
ATOM   259  C  CG2 . VAL A 1 35  ? -5.389  -23.945 -0.378  1.000 13.354 0 35  VAL A CG2 1 ? 
ATOM   260  N  N   . VAL A 1 36  ? -7.660  -23.543 3.525   1.000 10.275 0 36  VAL A N   1 ? 
ATOM   261  C  CA  . VAL A 1 36  ? -8.075  -22.783 4.687   1.000 10.485 0 36  VAL A CA  1 ? 
ATOM   262  C  C   . VAL A 1 36  ? -6.875  -21.974 5.194   1.000 11.101 0 36  VAL A C   1 ? 
ATOM   263  O  O   . VAL A 1 36  ? -5.790  -22.513 5.371   1.000 11.004 0 36  VAL A O   1 ? 
ATOM   264  C  CB  . VAL A 1 36  ? -8.585  -23.693 5.822   1.000 12.781 0 36  VAL A CB  1 ? 
ATOM   265  C  CG1 . VAL A 1 36  ? -8.984  -22.831 7.008   1.000 15.583 0 36  VAL A CG1 1 ? 
ATOM   266  C  CG2 . VAL A 1 36  ? -9.740  -24.567 5.405   1.000 15.906 0 36  VAL A CG2 1 ? 
ATOM   267  N  N   . SER A 1 37  ? -7.123  -20.712 5.558   1.000 9.973  0 37  SER A N   1 ? 
ATOM   268  C  CA  . SER A 1 37  ? -6.113  -19.877 6.189   1.000 10.340 0 37  SER A CA  1 ? 
ATOM   269  C  C   . SER A 1 37  ? -6.795  -18.976 7.218   1.000 10.827 0 37  SER A C   1 ? 
ATOM   270  O  O   . SER A 1 37  ? -7.972  -19.139 7.549   1.000 10.916 0 37  SER A O   1 ? 
ATOM   271  C  CB  . SER A 1 37  ? -5.405  -19.138 5.075   1.000 10.817 0 37  SER A CB  1 ? 
ATOM   272  O  OG  . SER A 1 37  ? -4.298  -18.390 5.544   1.000 9.715  0 37  SER A OG  1 ? 
ATOM   273  N  N   . ALA A 1 38  ? -6.093  -17.975 7.699   1.000 9.935  0 38  ALA A N   1 ? 
ATOM   274  C  CA  . ALA A 1 38  ? -6.602  -16.968 8.603   1.000 10.329 0 38  ALA A CA  1 ? 
ATOM   275  C  C   . ALA A 1 38  ? -7.180  -15.809 7.813   1.000 10.332 0 38  ALA A C   1 ? 
ATOM   276  O  O   . ALA A 1 38  ? -6.562  -15.343 6.850   1.000 9.994  0 38  ALA A O   1 ? 
ATOM   277  C  CB  . ALA A 1 38  ? -5.494  -16.415 9.446   1.000 10.962 0 38  ALA A CB  1 ? 
ATOM   278  N  N   . ALA A 1 39  ? -8.292  -15.261 8.321   1.000 9.422  0 39  ALA A N   1 ? 
ATOM   279  C  CA  . ALA A 1 39  ? -8.888  -14.091 7.716   1.000 9.927  0 39  ALA A CA  1 ? 
ATOM   280  C  C   . ALA A 1 39  ? -7.912  -12.919 7.767   1.000 10.340 0 39  ALA A C   1 ? 
ATOM   281  O  O   . ALA A 1 39  ? -7.957  -12.078 6.888   1.000 11.228 0 39  ALA A O   1 ? 
ATOM   282  C  CB  . ALA A 1 39  ? -10.155 -13.764 8.454   1.000 10.166 0 39  ALA A CB  1 ? 
ATOM   283  N  N   . HIS A 1 40  ? -7.115  -12.780 8.814   1.000 10.405 0 40  HIS A N   1 ? 
ATOM   284  C  CA  . HIS A 1 40  ? -6.179  -11.659 8.877   1.000 10.427 0 40  HIS A CA  1 ? 
ATOM   285  C  C   . HIS A 1 40  ? -5.072  -11.754 7.825   1.000 10.458 0 40  HIS A C   1 ? 
ATOM   286  O  O   . HIS A 1 40  ? -4.356  -10.763 7.605   1.000 12.724 0 40  HIS A O   1 ? 
ATOM   287  C  CB  . HIS A 1 40  ? -5.687  -11.507 10.292  1.000 10.941 0 40  HIS A CB  1 ? 
ATOM   288  C  CG  . HIS A 1 40  ? -4.494  -12.318 10.643  1.000 10.935 0 40  HIS A CG  1 ? 
ATOM   289  N  ND1 . HIS A 1 40  ? -4.596  -13.418 11.446  1.000 11.407 0 40  HIS A ND1 1 ? 
ATOM   290  C  CD2 . HIS A 1 40  ? -3.167  -12.111 10.387  1.000 14.202 0 40  HIS A CD2 1 ? 
ATOM   291  C  CE1 . HIS A 1 40  ? -3.377  -13.909 11.623  1.000 12.695 0 40  HIS A CE1 1 ? 
ATOM   292  N  NE2 . HIS A 1 40  ? -2.462  -13.090 11.027  1.000 12.574 0 40  HIS A NE2 1 ? 
ATOM   293  N  N   . CYS A 1 41  ? -5.032  -12.856 7.072   1.000 11.203 0 41  CYS A N   1 ? 
ATOM   294  C  CA  . CYS A 1 41  ? -4.098  -12.997 5.948   1.000 13.053 0 41  CYS A CA  1 ? 
ATOM   295  C  C   . CYS A 1 41  ? -4.726  -12.551 4.636   1.000 12.887 0 41  CYS A C   1 ? 
ATOM   296  O  O   . CYS A 1 41  ? -4.129  -12.708 3.579   1.000 16.419 0 41  CYS A O   1 ? 
ATOM   297  C  CB  . CYS A 1 41  ? -3.600  -14.414 5.736   1.000 13.132 0 41  CYS A CB  1 ? 
ATOM   298  S  SG  . CYS A 1 41  ? -2.631  -15.066 7.107   1.000 13.666 0 41  CYS A SG  1 ? 
ATOM   299  N  N   . TYR A 1 42  ? -5.986  -12.114 4.642   1.000 12.496 0 42  TYR A N   1 ? 
ATOM   300  C  CA  . TYR A 1 42  ? -6.600  -11.691 3.404   1.000 12.226 0 42  TYR A CA  1 ? 
ATOM   301  C  C   . TYR A 1 42  ? -5.788  -10.643 2.649   1.000 14.192 0 42  TYR A C   1 ? 
ATOM   302  O  O   . TYR A 1 42  ? -5.445  -9.603  3.179   1.000 13.760 0 42  TYR A O   1 ? 
ATOM   303  C  CB  . TYR A 1 42  ? -7.990  -11.114 3.693   1.000 14.724 0 42  TYR A CB  1 ? 
ATOM   304  C  CG  . TYR A 1 42  ? -8.604  -10.617 2.416   1.000 15.499 0 42  TYR A CG  1 ? 
ATOM   305  C  CD1 . TYR A 1 42  ? -9.058  -11.529 1.487   1.000 17.351 0 42  TYR A CD1 1 ? 
ATOM   306  C  CD2 . TYR A 1 42  ? -8.607  -9.284  2.080   1.000 18.566 0 42  TYR A CD2 1 ? 
ATOM   307  C  CE1 . TYR A 1 42  ? -9.532  -11.119 0.258   1.000 20.503 0 42  TYR A CE1 1 ? 
ATOM   308  C  CE2 . TYR A 1 42  ? -9.146  -8.858  0.872   1.000 19.637 0 42  TYR A CE2 1 ? 
ATOM   309  C  CZ  . TYR A 1 42  ? -9.539  -9.787  -0.062  1.000 21.009 0 42  TYR A CZ  1 ? 
ATOM   310  O  OH  . TYR A 1 42  ? -10.061 -9.428  -1.296  1.000 30.459 0 42  TYR A OH  1 ? 
ATOM   311  N  N   . LYS A 1 43  ? -5.646  -10.890 1.352   1.000 16.120 0 43  LYS A N   1 ? 
ATOM   312  C  CA  . LYS A 1 43  ? -5.344  -9.839  0.400   1.000 18.683 0 43  LYS A CA  1 ? 
ATOM   313  C  C   . LYS A 1 43  ? -5.762  -10.286 -0.991  1.000 17.333 0 43  LYS A C   1 ? 
ATOM   314  O  O   . LYS A 1 43  ? -6.130  -11.432 -1.229  1.000 17.434 0 43  LYS A O   1 ? 
ATOM   315  C  CB  . LYS A 1 43  ? -3.889  -9.400  0.492   1.000 25.433 0 43  LYS A CB  1 ? 
ATOM   316  C  CG  . LYS A 1 43  ? -2.862  -10.463 0.273   1.000 29.554 0 43  LYS A CG  1 ? 
ATOM   317  C  CD  . LYS A 1 43  ? -1.463  -9.865  0.330   1.000 28.992 0 43  LYS A CD  1 ? 
ATOM   318  C  CE  . LYS A 1 43  ? -1.025  -9.563  1.733   1.000 31.592 0 43  LYS A CE  1 ? 
ATOM   319  N  NZ  . LYS A 1 43  ? 0.406   -9.209  1.732   1.000 37.211 0 43  LYS A NZ  1 ? 
ATOM   320  N  N   . SER A 1 44  ? -5.861  -9.319  -1.898  1.000 19.530 0 44  SER A N   1 ? 
ATOM   321  C  CA  . SER A 1 44  ? -6.217  -9.665  -3.269  1.000 23.008 0 44  SER A CA  1 ? 
ATOM   322  C  C   . SER A 1 44  ? -4.941  -10.086 -3.993  1.000 25.064 0 44  SER A C   1 ? 
ATOM   323  O  O   . SER A 1 44  ? -3.846  -9.694  -3.608  1.000 30.416 0 44  SER A O   1 ? 
ATOM   324  C  CB  . SER A 1 44  ? -6.927  -8.523  -3.954  1.000 28.982 0 44  SER A CB  1 ? 
ATOM   325  O  OG  . SER A 1 44  ? -6.128  -7.369  -3.911  1.000 32.823 0 44  SER A OG  1 ? 
ATOM   326  N  N   . GLY A 1 45  ? -5.069  -10.993 -4.956  1.000 27.241 0 45  GLY A N   1 ? 
ATOM   327  C  CA  . GLY A 1 45  ? -3.944  -11.346 -5.802  1.000 27.230 0 45  GLY A CA  1 ? 
ATOM   328  C  C   . GLY A 1 45  ? -3.064  -12.401 -5.141  1.000 28.430 0 45  GLY A C   1 ? 
ATOM   329  O  O   . GLY A 1 45  ? -1.838  -12.302 -5.174  1.000 34.144 0 45  GLY A O   1 ? 
ATOM   330  N  N   . ILE A 1 46  ? -3.701  -13.370 -4.493  1.000 21.299 0 46  ILE A N   1 ? 
ATOM   331  C  CA  . ILE A 1 46  ? -2.972  -14.457 -3.846  1.000 20.012 0 46  ILE A CA  1 ? 
ATOM   332  C  C   . ILE A 1 46  ? -2.644  -15.534 -4.875  1.000 17.413 0 46  ILE A C   1 ? 
ATOM   333  O  O   . ILE A 1 46  ? -3.499  -15.982 -5.664  1.000 16.996 0 46  ILE A O   1 ? 
ATOM   334  C  CB  . ILE A 1 46  ? -3.802  -15.029 -2.672  1.000 19.757 0 46  ILE A CB  1 ? 
ATOM   335  C  CG1 . ILE A 1 46  ? -3.998  -13.949 -1.607  1.000 22.046 0 46  ILE A CG1 1 ? 
ATOM   336  C  CG2 . ILE A 1 46  ? -3.161  -16.301 -2.084  1.000 19.347 0 46  ILE A CG2 1 ? 
ATOM   337  C  CD1 . ILE A 1 46  ? -4.827  -14.378 -0.418  1.000 22.962 0 46  ILE A CD1 1 ? 
ATOM   338  N  N   . GLN A 1 47  ? -1.407  -16.031 -4.801  1.000 14.003 0 47  GLN A N   1 ? 
ATOM   339  C  CA  . GLN A 1 47  ? -1.010  -17.244 -5.472  1.000 14.529 0 47  GLN A CA  1 ? 
ATOM   340  C  C   . GLN A 1 47  ? -0.729  -18.294 -4.405  1.000 14.591 0 47  GLN A C   1 ? 
ATOM   341  O  O   . GLN A 1 47  ? -0.041  -18.004 -3.442  1.000 15.685 0 47  GLN A O   1 ? 
ATOM   342  C  CB  . GLN A 1 47  ? 0.246   -17.041 -6.318  1.000 15.569 0 47  GLN A CB  1 ? 
ATOM   343  C  CG  . GLN A 1 47  ? 0.600   -18.284 -7.116  1.000 17.985 0 47  GLN A CG  1 ? 
ATOM   344  C  CD  . GLN A 1 47  ? 1.912   -18.106 -7.836  1.000 20.520 0 47  GLN A CD  1 ? 
ATOM   345  O  OE1 . GLN A 1 47  ? 2.962   -18.014 -7.219  1.000 20.373 0 47  GLN A OE1 1 ? 
ATOM   346  N  NE2 . GLN A 1 47  ? 1.838   -18.065 -9.160  1.000 21.744 0 47  GLN A NE2 1 ? 
ATOM   347  N  N   . VAL A 1 48  ? -1.284  -19.486 -4.557  1.000 12.994 0 48  VAL A N   1 ? 
ATOM   348  C  CA  . VAL A 1 48  ? -1.104  -20.526 -3.565  1.000 13.275 0 48  VAL A CA  1 ? 
ATOM   349  C  C   . VAL A 1 48  ? 0.041   -21.408 -4.038  1.000 14.350 0 48  VAL A C   1 ? 
ATOM   350  O  O   . VAL A 1 48  ? 0.042   -21.793 -5.195  1.000 14.255 0 48  VAL A O   1 ? 
ATOM   351  C  CB  . VAL A 1 48  ? -2.398  -21.348 -3.420  1.000 15.712 0 48  VAL A CB  1 ? 
ATOM   352  C  CG1 . VAL A 1 48  ? -2.207  -22.547 -2.523  1.000 16.948 0 48  VAL A CG1 1 ? 
ATOM   353  C  CG2 . VAL A 1 48  ? -3.516  -20.450 -2.925  1.000 15.437 0 48  VAL A CG2 1 ? 
ATOM   354  N  N   . ARG A 1 49  ? 1.020   -21.671 -3.160  1.000 13.513 0 49  ARG A N   1 ? 
ATOM   355  C  CA  . ARG A 1 49  ? 2.149   -22.517 -3.520  1.000 13.275 0 49  ARG A CA  1 ? 
ATOM   356  C  C   . ARG A 1 49  ? 2.120   -23.804 -2.692  1.000 14.812 0 49  ARG A C   1 ? 
ATOM   357  O  O   . ARG A 1 49  ? 2.183   -23.794 -1.457  1.000 14.590 0 49  ARG A O   1 ? 
ATOM   358  C  CB  . ARG A 1 49  ? 3.448   -21.744 -3.326  1.000 13.309 0 49  ARG A CB  1 ? 
ATOM   359  C  CG  . ARG A 1 49  ? 3.431   -20.495 -4.198  1.000 12.280 0 49  ARG A CG  1 ? 
ATOM   360  C  CD  . ARG A 1 49  ? 4.784   -19.838 -4.317  1.000 13.206 0 49  ARG A CD  1 ? 
ATOM   361  N  NE  . ARG A 1 49  ? 4.807   -18.914 -5.429  1.000 13.013 0 49  ARG A NE  1 ? 
ATOM   362  C  CZ  . ARG A 1 49  ? 5.948   -18.528 -5.992  1.000 14.856 0 49  ARG A CZ  1 ? 
ATOM   363  N  NH1 . ARG A 1 49  ? 7.084   -18.874 -5.391  1.000 14.673 0 49  ARG A NH1 1 ? 
ATOM   364  N  NH2 . ARG A 1 49  ? 5.934   -17.943 -7.174  1.000 16.709 0 49  ARG A NH2 1 ? 
ATOM   365  N  N   . LEU A 1 50  ? 1.976   -24.909 -3.415  1.000 13.960 0 50  LEU A N   1 ? 
ATOM   366  C  CA  . LEU A 1 50  ? 1.898   -26.224 -2.809  1.000 15.479 0 50  LEU A CA  1 ? 
ATOM   367  C  C   . LEU A 1 50  ? 3.178   -27.001 -3.060  1.000 14.721 0 50  LEU A C   1 ? 
ATOM   368  O  O   . LEU A 1 50  ? 3.901   -26.713 -3.995  1.000 16.274 0 50  LEU A O   1 ? 
ATOM   369  C  CB  . LEU A 1 50  ? 0.735   -26.984 -3.437  1.000 17.739 0 50  LEU A CB  1 ? 
ATOM   370  C  CG  . LEU A 1 50  ? -0.626  -26.293 -3.405  1.000 21.332 0 50  LEU A CG  1 ? 
ATOM   371  C  CD1 . LEU A 1 50  ? -0.839  -25.473 -4.659  1.000 24.953 0 50  LEU A CD1 1 ? 
ATOM   372  C  CD2 . LEU A 1 50  ? -1.718  -27.335 -3.305  1.000 29.491 0 50  LEU A CD2 1 ? 
ATOM   373  N  N   . GLY A 1 51  ? 3.414   -27.997 -2.219  1.000 14.958 0 51  GLY A N   1 ? 
ATOM   374  C  CA  . GLY A 1 51  ? 4.544   -28.896 -2.419  1.000 15.186 0 51  GLY A CA  1 ? 
ATOM   375  C  C   . GLY A 1 51  ? 5.870   -28.213 -2.112  1.000 16.217 0 51  GLY A C   1 ? 
ATOM   376  O  O   . GLY A 1 51  ? 6.921   -28.658 -2.563  1.000 20.291 0 51  GLY A O   1 ? 
ATOM   377  N  N   . GLU A 1 52  ? 5.824   -27.160 -1.306  1.000 14.671 0 52  GLU A N   1 ? 
ATOM   378  C  CA  . GLU A 1 52  ? 7.021   -26.390 -1.003  1.000 14.338 0 52  GLU A CA  1 ? 
ATOM   379  C  C   . GLU A 1 52  ? 7.801   -26.967 0.176   1.000 14.802 0 52  GLU A C   1 ? 
ATOM   380  O  O   . GLU A 1 52  ? 7.260   -27.420 1.204   1.000 14.804 0 52  GLU A O   1 ? 
ATOM   381  C  CB  . GLU A 1 52  ? 6.667   -24.945 -0.635  1.000 13.239 0 52  GLU A CB  1 ? 
ATOM   382  C  CG  . GLU A 1 52  ? 6.278   -24.112 -1.821  1.000 12.556 0 52  GLU A CG  1 ? 
ATOM   383  C  CD  . GLU A 1 52  ? 7.475   -23.628 -2.633  1.000 14.675 0 52  GLU A CD  1 ? 
ATOM   384  O  OE1 . GLU A 1 52  ? 8.547   -24.259 -2.530  1.000 12.786 0 52  GLU A OE1 1 ? 
ATOM   385  O  OE2 . GLU A 1 52  ? 7.346   -22.633 -3.333  1.000 14.223 0 52  GLU A OE2 1 ? 
ATOM   386  N  N   . ASP A 1 53  ? 9.133   -26.897 0.049   1.000 14.627 0 53  ASP A N   1 ? 
ATOM   387  C  CA  . ASP A 1 53  ? 9.942   -26.986 1.238   1.000 15.691 0 53  ASP A CA  1 ? 
ATOM   388  C  C   . ASP A 1 53  ? 10.739  -25.698 1.375   1.000 14.965 0 53  ASP A C   1 ? 
ATOM   389  O  O   . ASP A 1 53  ? 10.565  -24.973 2.334   1.000 17.280 0 53  ASP A O   1 ? 
ATOM   390  C  CB  . ASP A 1 53  ? 10.840  -28.212 1.249   1.000 17.403 0 53  ASP A CB  1 ? 
ATOM   391  C  CG  . ASP A 1 53  ? 11.536  -28.388 2.593   1.000 22.311 0 53  ASP A CG  1 ? 
ATOM   392  O  OD1 . ASP A 1 53  ? 10.873  -28.212 3.636   1.000 20.471 0 53  ASP A OD1 1 ? 
ATOM   393  O  OD2 . ASP A 1 53  ? 12.734  -28.755 2.577   1.000 24.151 0 53  ASP A OD2 1 ? 
ATOM   394  N  N   . ASN A 1 54  ? 11.698  -25.506 0.480   1.000 16.534 0 54  ASN A N   1 ? 
ATOM   395  C  CA  . ASN A 1 54  ? 12.463  -24.274 0.430   1.000 15.530 0 54  ASN A CA  1 ? 
ATOM   396  C  C   . ASN A 1 54  ? 11.676  -23.270 -0.407  1.000 14.584 0 54  ASN A C   1 ? 
ATOM   397  O  O   . ASN A 1 54  ? 11.532  -23.461 -1.599  1.000 15.470 0 54  ASN A O   1 ? 
ATOM   398  C  CB  . ASN A 1 54  ? 13.849  -24.476 -0.171  1.000 16.988 0 54  ASN A CB  1 ? 
ATOM   399  C  CG  . ASN A 1 54  ? 14.711  -23.249 -0.009  1.000 17.837 0 54  ASN A CG  1 ? 
ATOM   400  O  OD1 . ASN A 1 54  ? 14.265  -22.133 -0.249  1.000 16.673 0 54  ASN A OD1 1 ? 
ATOM   401  N  ND2 . ASN A 1 54  ? 15.940  -23.446 0.445   1.000 19.777 0 54  ASN A ND2 1 ? 
ATOM   402  N  N   . ILE A 1 55  ? 11.138  -22.224 0.220   1.000 15.422 0 55  ILE A N   1 ? 
ATOM   403  C  CA  . ILE A 1 55  ? 10.256  -21.301 -0.503  1.000 16.528 0 55  ILE A CA  1 ? 
ATOM   404  C  C   . ILE A 1 55  ? 11.046  -20.432 -1.471  1.000 15.800 0 55  ILE A C   1 ? 
ATOM   405  O  O   . ILE A 1 55  ? 10.410  -19.801 -2.295  1.000 13.146 0 55  ILE A O   1 ? 
ATOM   406  C  CB  . ILE A 1 55  ? 9.370   -20.430 0.412   1.000 17.613 0 55  ILE A CB  1 ? 
ATOM   407  C  CG1 . ILE A 1 55  ? 10.194  -19.754 1.511   1.000 19.698 0 55  ILE A CG1 1 ? 
ATOM   408  C  CG2 . ILE A 1 55  ? 8.204   -21.278 0.928   1.000 17.519 0 55  ILE A CG2 1 ? 
ATOM   409  C  CD1 . ILE A 1 55  ? 9.394   -18.729 2.324   1.000 21.869 0 55  ILE A CD1 1 ? 
ATOM   410  N  N   . ASN A 1 56  ? 12.394  -20.443 -1.423  1.000 15.030 0 56  ASN A N   1 ? 
ATOM   411  C  CA  . ASN A 1 56  ? 13.197  -19.550 -2.253  1.000 15.295 0 56  ASN A CA  1 ? 
ATOM   412  C  C   . ASN A 1 56  ? 13.868  -20.284 -3.423  1.000 16.096 0 56  ASN A C   1 ? 
ATOM   413  O  O   . ASN A 1 56  ? 14.444  -19.636 -4.315  1.000 16.334 0 56  ASN A O   1 ? 
ATOM   414  C  CB  . ASN A 1 56  ? 14.240  -18.803 -1.429  1.000 17.071 0 56  ASN A CB  1 ? 
ATOM   415  C  CG  . ASN A 1 56  ? 13.661  -17.571 -0.777  1.000 21.251 0 56  ASN A CG  1 ? 
ATOM   416  O  OD1 . ASN A 1 56  ? 12.973  -16.787 -1.458  1.000 24.738 0 56  ASN A OD1 1 ? 
ATOM   417  N  ND2 . ASN A 1 56  ? 14.006  -17.372 0.489   1.000 22.526 0 56  ASN A ND2 1 ? 
ATOM   418  N  N   . VAL A 1 57  ? 13.711  -21.600 -3.492  1.000 15.384 0 57  VAL A N   1 ? 
ATOM   419  C  CA  . VAL A 1 57  ? 14.315  -22.403 -4.555  1.000 16.745 0 57  VAL A CA  1 ? 
ATOM   420  C  C   . VAL A 1 57  ? 13.277  -23.313 -5.167  1.000 16.242 0 57  VAL A C   1 ? 
ATOM   421  O  O   . VAL A 1 57  ? 12.583  -23.988 -4.427  1.000 14.816 0 57  VAL A O   1 ? 
ATOM   422  C  CB  . VAL A 1 57  ? 15.478  -23.246 -4.001  1.000 17.098 0 57  VAL A CB  1 ? 
ATOM   423  C  CG1 . VAL A 1 57  ? 16.106  -24.116 -5.078  1.000 20.177 0 57  VAL A CG1 1 ? 
ATOM   424  C  CG2 . VAL A 1 57  ? 16.484  -22.331 -3.341  1.000 21.084 0 57  VAL A CG2 1 ? 
ATOM   425  N  N   . VAL A 1 58  ? 13.225  -23.410 -6.501  1.000 18.884 0 58  VAL A N   1 ? 
ATOM   426  C  CA  . VAL A 1 58  ? 12.338  -24.364 -7.156  1.000 19.718 0 58  VAL A CA  1 ? 
ATOM   427  C  C   . VAL A 1 58  ? 12.989  -25.742 -7.102  1.000 20.660 0 58  VAL A C   1 ? 
ATOM   428  O  O   . VAL A 1 58  ? 14.042  -25.945 -7.706  1.000 22.511 0 58  VAL A O   1 ? 
ATOM   429  C  CB  . VAL A 1 58  ? 11.973  -23.936 -8.594  1.000 21.408 0 58  VAL A CB  1 ? 
ATOM   430  C  CG1 . VAL A 1 58  ? 11.175  -24.999 -9.320  1.000 23.989 0 58  VAL A CG1 1 ? 
ATOM   431  C  CG2 . VAL A 1 58  ? 11.205  -22.640 -8.619  1.000 22.394 0 58  VAL A CG2 1 ? 
ATOM   432  N  N   . GLU A 1 59  ? 12.364  -26.682 -6.373  1.000 20.394 0 59  GLU A N   1 ? 
ATOM   433  C  CA  . GLU A 1 59  ? 12.949  -27.991 -6.111  1.000 24.375 0 59  GLU A CA  1 ? 
ATOM   434  C  C   . GLU A 1 59  ? 12.376  -29.056 -7.055  1.000 28.265 0 59  GLU A C   1 ? 
ATOM   435  O  O   . GLU A 1 59  ? 12.990  -30.110 -7.271  1.000 27.365 0 59  GLU A O   1 ? 
ATOM   436  C  CB  . GLU A 1 59  ? 12.713  -28.371 -4.649  1.000 26.448 0 59  GLU A CB  1 ? 
ATOM   437  C  CG  . GLU A 1 59  ? 13.187  -27.299 -3.687  1.000 27.514 0 59  GLU A CG  1 ? 
ATOM   438  C  CD  . GLU A 1 59  ? 12.346  -27.108 -2.433  1.000 28.839 0 59  GLU A CD  1 ? 
ATOM   439  O  OE1 . GLU A 1 59  ? 11.160  -26.544 -2.500  1.000 21.723 0 59  GLU A OE1 1 ? 
ATOM   440  O  OE2 . GLU A 1 59  ? 12.862  -27.527 -1.399  1.000 25.450 0 59  GLU A OE2 1 ? 
ATOM   441  N  N   . GLY A 1 60  ? 11.191  -28.795 -7.619  1.000 29.616 0 60  GLY A N   1 ? 
ATOM   442  C  CA  . GLY A 1 60  ? 10.640  -29.625 -8.675  1.000 29.299 0 60  GLY A CA  1 ? 
ATOM   443  C  C   . GLY A 1 60  ? 9.290   -30.249 -8.327  1.000 31.009 0 60  GLY A C   1 ? 
ATOM   444  O  O   . GLY A 1 60  ? 8.695   -30.889 -9.186  1.000 35.413 0 60  GLY A O   1 ? 
ATOM   445  N  N   . ASN A 1 61  ? 8.854   -30.137 -7.069  1.000 26.565 0 61  ASN A N   1 ? 
ATOM   446  C  CA  . ASN A 1 61  ? 7.629   -30.770 -6.623  1.000 27.010 0 61  ASN A CA  1 ? 
ATOM   447  C  C   . ASN A 1 61  ? 6.512   -29.747 -6.458  1.000 24.186 0 61  ASN A C   1 ? 
ATOM   448  O  O   . ASN A 1 61  ? 5.397   -30.104 -6.111  1.000 24.953 0 61  ASN A O   1 ? 
ATOM   449  C  CB  . ASN A 1 61  ? 7.837   -31.501 -5.298  1.000 32.024 0 61  ASN A CB  1 ? 
ATOM   450  C  CG  . ASN A 1 61  ? 8.805   -32.655 -5.457  1.000 38.686 0 61  ASN A CG  1 ? 
ATOM   451  O  OD1 . ASN A 1 61  ? 8.651   -33.454 -6.375  1.000 48.583 0 61  ASN A OD1 1 ? 
ATOM   452  N  ND2 . ASN A 1 61  ? 9.802   -32.744 -4.595  1.000 43.360 0 61  ASN A ND2 1 ? 
ATOM   453  N  N   . GLU A 1 62  ? 6.792   -28.473 -6.752  1.000 19.985 0 62  GLU A N   1 ? 
ATOM   454  C  CA  . GLU A 1 62  ? 5.840   -27.434 -6.435  1.000 19.345 0 62  GLU A CA  1 ? 
ATOM   455  C  C   . GLU A 1 62  ? 4.710   -27.374 -7.459  1.000 18.585 0 62  GLU A C   1 ? 
ATOM   456  O  O   . GLU A 1 62  ? 4.875   -27.713 -8.621  1.000 18.338 0 62  GLU A O   1 ? 
ATOM   457  C  CB  . GLU A 1 62  ? 6.517   -26.073 -6.474  1.000 17.814 0 62  GLU A CB  1 ? 
ATOM   458  C  CG  . GLU A 1 62  ? 7.629   -25.933 -5.446  1.000 16.984 0 62  GLU A CG  1 ? 
ATOM   459  C  CD  . GLU A 1 62  ? 9.031   -26.275 -5.916  1.000 18.336 0 62  GLU A CD  1 ? 
ATOM   460  O  OE1 . GLU A 1 62  ? 9.182   -26.978 -6.932  1.000 17.133 0 62  GLU A OE1 1 ? 
ATOM   461  O  OE2 . GLU A 1 62  ? 9.962   -25.847 -5.238  1.000 15.752 0 62  GLU A OE2 1 ? 
ATOM   462  N  N   . GLN A 1 63  ? 3.564   -26.872 -7.002  1.000 16.905 0 63  GLN A N   1 ? 
ATOM   463  C  CA  . GLN A 1 63  ? 2.478   -26.460 -7.870  1.000 17.947 0 63  GLN A CA  1 ? 
ATOM   464  C  C   . GLN A 1 63  ? 2.122   -25.057 -7.432  1.000 18.986 0 63  GLN A C   1 ? 
ATOM   465  O  O   . GLN A 1 63  ? 1.902   -24.842 -6.232  1.000 18.967 0 63  GLN A O   1 ? 
ATOM   466  C  CB  . GLN A 1 63  ? 1.293   -27.419 -7.729  1.000 19.273 0 63  GLN A CB  1 ? 
ATOM   467  C  CG  . GLN A 1 63  ? 1.633   -28.866 -8.070  1.000 20.816 0 63  GLN A CG  1 ? 
ATOM   468  C  CD  . GLN A 1 63  ? 0.459   -29.765 -7.793  1.000 21.165 0 63  GLN A CD  1 ? 
ATOM   469  O  OE1 . GLN A 1 63  ? -0.671  -29.410 -8.114  1.000 22.142 0 63  GLN A OE1 1 ? 
ATOM   470  N  NE2 . GLN A 1 63  ? 0.728   -30.906 -7.176  1.000 22.527 0 63  GLN A NE2 1 ? 
ATOM   471  N  N   . PHE A 1 64  ? 2.134   -24.109 -8.382  1.000 17.503 0 64  PHE A N   1 ? 
ATOM   472  C  CA  . PHE A 1 64  ? 1.782   -22.722 -8.117  1.000 16.706 0 64  PHE A CA  1 ? 
ATOM   473  C  C   . PHE A 1 64  ? 0.451   -22.420 -8.797  1.000 19.876 0 64  PHE A C   1 ? 
ATOM   474  O  O   . PHE A 1 64  ? 0.325   -22.522 -10.029 1.000 20.049 0 64  PHE A O   1 ? 
ATOM   475  C  CB  . PHE A 1 64  ? 2.806   -21.743 -8.674  1.000 18.728 0 64  PHE A CB  1 ? 
ATOM   476  C  CG  . PHE A 1 64  ? 4.195   -21.828 -8.105  1.000 17.696 0 64  PHE A CG  1 ? 
ATOM   477  C  CD1 . PHE A 1 64  ? 4.500   -22.574 -6.983  1.000 17.460 0 64  PHE A CD1 1 ? 
ATOM   478  C  CD2 . PHE A 1 64  ? 5.223   -21.168 -8.751  1.000 21.419 0 64  PHE A CD2 1 ? 
ATOM   479  C  CE1 . PHE A 1 64  ? 5.792   -22.590 -6.473  1.000 18.464 0 64  PHE A CE1 1 ? 
ATOM   480  C  CE2 . PHE A 1 64  ? 6.517   -21.213 -8.260  1.000 21.527 0 64  PHE A CE2 1 ? 
ATOM   481  C  CZ  . PHE A 1 64  ? 6.799   -21.937 -7.132  1.000 20.607 0 64  PHE A CZ  1 ? 
ATOM   482  N  N   . ILE A 1 65  ? -0.556  -22.086 -7.997  1.000 14.727 0 65  ILE A N   1 ? 
ATOM   483  C  CA  . ILE A 1 65  ? -1.907  -21.969 -8.532  1.000 16.993 0 65  ILE A CA  1 ? 
ATOM   484  C  C   . ILE A 1 65  ? -2.532  -20.681 -7.995  1.000 16.667 0 65  ILE A C   1 ? 
ATOM   485  O  O   . ILE A 1 65  ? -2.574  -20.462 -6.787  1.000 16.579 0 65  ILE A O   1 ? 
ATOM   486  C  CB  . ILE A 1 65  ? -2.772  -23.194 -8.163  1.000 16.905 0 65  ILE A CB  1 ? 
ATOM   487  C  CG1 . ILE A 1 65  ? -2.177  -24.531 -8.629  1.000 19.506 0 65  ILE A CG1 1 ? 
ATOM   488  C  CG2 . ILE A 1 65  ? -4.191  -22.997 -8.687  1.000 18.571 0 65  ILE A CG2 1 ? 
ATOM   489  C  CD1 . ILE A 1 65  ? -2.885  -25.760 -8.113  1.000 21.133 0 65  ILE A CD1 1 ? 
ATOM   490  N  N   . SER A 1 66  ? -3.097  -19.858 -8.885  1.000 16.040 0 66  SER A N   1 ? 
ATOM   491  C  CA  . SER A 1 66  ? -3.703  -18.610 -8.488  1.000 16.994 0 66  SER A CA  1 ? 
ATOM   492  C  C   . SER A 1 66  ? -5.012  -18.915 -7.781  1.000 18.096 0 66  SER A C   1 ? 
ATOM   493  O  O   . SER A 1 66  ? -5.668  -19.899 -8.119  1.000 17.379 0 66  SER A O   1 ? 
ATOM   494  C  CB  . SER A 1 66  ? -3.971  -17.748 -9.694  1.000 21.775 0 66  SER A CB  1 ? 
ATOM   495  O  OG  . SER A 1 66  ? -2.739  -17.373 -10.288 1.000 28.036 0 66  SER A OG  1 ? 
ATOM   496  N  N   . ALA A 1 67  ? -5.377  -18.034 -6.853  1.000 17.563 0 67  ALA A N   1 ? 
ATOM   497  C  CA  . ALA A 1 67  ? -6.688  -18.071 -6.231  1.000 17.286 0 67  ALA A CA  1 ? 
ATOM   498  C  C   . ALA A 1 67  ? -7.735  -17.456 -7.153  1.000 16.295 0 67  ALA A C   1 ? 
ATOM   499  O  O   . ALA A 1 67  ? -7.544  -16.391 -7.737  1.000 19.758 0 67  ALA A O   1 ? 
ATOM   500  C  CB  . ALA A 1 67  ? -6.656  -17.322 -4.951  1.000 16.207 0 67  ALA A CB  1 ? 
ATOM   501  N  N   . SER A 1 68  ? -8.905  -18.084 -7.215  1.000 17.355 0 68  SER A N   1 ? 
ATOM   502  C  CA  . SER A 1 68  ? -9.996  -17.513 -7.976  1.000 17.584 0 68  SER A CA  1 ? 
ATOM   503  C  C   . SER A 1 68  ? -10.929 -16.701 -7.082  1.000 18.927 0 68  SER A C   1 ? 
ATOM   504  O  O   . SER A 1 68  ? -11.574 -15.763 -7.551  1.000 19.627 0 68  SER A O   1 ? 
ATOM   505  C  CB  . SER A 1 68  ? -10.726 -18.576 -8.741  1.000 19.632 0 68  SER A CB  1 ? 
ATOM   506  O  OG  . SER A 1 68  ? -11.337 -19.498 -7.881  1.000 22.561 0 68  SER A OG  1 ? 
ATOM   507  N  N   . LYS A 1 69  ? -11.084 -17.127 -5.823  1.000 18.839 0 69  LYS A N   1 ? 
ATOM   508  C  CA  . LYS A 1 69  ? -11.883 -16.351 -4.897  1.000 20.235 0 69  LYS A CA  1 ? 
ATOM   509  C  C   . LYS A 1 69  ? -11.414 -16.612 -3.470  1.000 17.350 0 69  LYS A C   1 ? 
ATOM   510  O  O   . LYS A 1 69  ? -10.795 -17.629 -3.173  1.000 16.753 0 69  LYS A O   1 ? 
ATOM   511  C  CB  . LYS A 1 69  ? -13.371 -16.659 -5.070  1.000 24.913 0 69  LYS A CB  1 ? 
ATOM   512  C  CG  . LYS A 1 69  ? -13.773 -18.109 -4.958  1.000 26.139 0 69  LYS A CG  1 ? 
ATOM   513  C  CD  . LYS A 1 69  ? -15.258 -18.376 -5.317  1.000 29.666 0 69  LYS A CD  1 ? 
ATOM   514  C  CE  . LYS A 1 69  ? -15.500 -18.835 -6.744  1.000 30.531 0 69  LYS A CE  1 ? 
ATOM   515  N  NZ  . LYS A 1 69  ? -16.858 -19.394 -7.003  1.000 30.496 0 69  LYS A NZ  1 ? 
ATOM   516  N  N   . SER A 1 70  ? -11.710 -15.644 -2.619  1.000 16.206 0 70  SER A N   1 ? 
ATOM   517  C  CA  . SER A 1 70  ? -11.382 -15.694 -1.206  1.000 17.090 0 70  SER A CA  1 ? 
ATOM   518  C  C   . SER A 1 70  ? -12.667 -15.397 -0.478  1.000 15.775 0 70  SER A C   1 ? 
ATOM   519  O  O   . SER A 1 70  ? -13.401 -14.514 -0.915  1.000 16.371 0 70  SER A O   1 ? 
ATOM   520  C  CB  . SER A 1 70  ? -10.340 -14.710 -0.786  1.000 19.891 0 70  SER A CB  1 ? 
ATOM   521  O  OG  . SER A 1 70  ? -9.103  -15.045 -1.370  1.000 25.842 0 70  SER A OG  1 ? 
ATOM   522  N  N   . ILE A 1 71  ? -12.920 -16.152 0.579   1.000 13.634 0 71  ILE A N   1 ? 
ATOM   523  C  CA  . ILE A 1 71  ? -14.135 -15.982 1.355   1.000 13.372 0 71  ILE A CA  1 ? 
ATOM   524  C  C   . ILE A 1 71  ? -13.755 -15.869 2.813   1.000 12.405 0 71  ILE A C   1 ? 
ATOM   525  O  O   . ILE A 1 71  ? -13.306 -16.832 3.414   1.000 11.931 0 71  ILE A O   1 ? 
ATOM   526  C  CB  . ILE A 1 71  ? -15.130 -17.125 1.155   1.000 14.850 0 71  ILE A CB  1 ? 
ATOM   527  C  CG1 . ILE A 1 71  ? -15.482 -17.243 -0.326  1.000 17.073 0 71  ILE A CG1 1 ? 
ATOM   528  C  CG2 . ILE A 1 71  ? -16.334 -16.868 2.055   1.000 14.836 0 71  ILE A CG2 1 ? 
ATOM   529  C  CD1 . ILE A 1 71  ? -16.068 -18.508 -0.679  1.000 19.159 0 71  ILE A CD1 1 ? 
ATOM   530  N  N   . VAL A 1 72  ? -13.902 -14.675 3.345   1.000 12.003 0 72  VAL A N   1 ? 
ATOM   531  C  CA  . VAL A 1 72  ? -13.579 -14.416 4.743   1.000 12.561 0 72  VAL A CA  1 ? 
ATOM   532  C  C   . VAL A 1 72  ? -14.818 -14.798 5.546   1.000 12.463 0 72  VAL A C   1 ? 
ATOM   533  O  O   . VAL A 1 72  ? -15.934 -14.584 5.072   1.000 13.061 0 72  VAL A O   1 ? 
ATOM   534  C  CB  . VAL A 1 72  ? -13.180 -12.944 4.929   1.000 13.172 0 72  VAL A CB  1 ? 
ATOM   535  C  CG1 . VAL A 1 72  ? -13.079 -12.510 6.376   1.000 13.980 0 72  VAL A CG1 1 ? 
ATOM   536  C  CG2 . VAL A 1 72  ? -11.906 -12.584 4.208   1.000 14.834 0 72  VAL A CG2 1 ? 
ATOM   537  N  N   . HIS A 1 73  ? -14.622 -15.339 6.756   1.000 11.617 0 73  HIS A N   1 ? 
ATOM   538  C  CA  . HIS A 1 73  ? -15.736 -15.699 7.606   1.000 12.785 0 73  HIS A CA  1 ? 
ATOM   539  C  C   . HIS A 1 73  ? -16.656 -14.505 7.786   1.000 11.735 0 73  HIS A C   1 ? 
ATOM   540  O  O   . HIS A 1 73  ? -16.240 -13.392 8.078   1.000 11.539 0 73  HIS A O   1 ? 
ATOM   541  C  CB  . HIS A 1 73  ? -15.261 -16.226 8.968   1.000 13.299 0 73  HIS A CB  1 ? 
ATOM   542  C  CG  . HIS A 1 73  ? -16.362 -16.837 9.747   1.000 13.327 0 73  HIS A CG  1 ? 
ATOM   543  N  ND1 . HIS A 1 73  ? -17.282 -16.086 10.439  1.000 13.051 0 73  HIS A ND1 1 ? 
ATOM   544  C  CD2 . HIS A 1 73  ? -16.828 -18.116 9.709   1.000 13.897 0 73  HIS A CD2 1 ? 
ATOM   545  C  CE1 . HIS A 1 73  ? -18.204 -16.907 10.941  1.000 12.793 0 73  HIS A CE1 1 ? 
ATOM   546  N  NE2 . HIS A 1 73  ? -17.954 -18.178 10.479  1.000 14.703 0 73  HIS A NE2 1 ? 
ATOM   547  N  N   . PRO A 1 74  ? -17.987 -14.691 7.696   1.000 14.109 0 74  PRO A N   1 ? 
ATOM   548  C  CA  . PRO A 1 74  ? -18.884 -13.540 7.773   1.000 14.405 0 74  PRO A CA  1 ? 
ATOM   549  C  C   . PRO A 1 74  ? -18.922 -12.801 9.100   1.000 13.420 0 74  PRO A C   1 ? 
ATOM   550  O  O   . PRO A 1 74  ? -19.405 -11.661 9.103   1.000 15.497 0 74  PRO A O   1 ? 
ATOM   551  C  CB  . PRO A 1 74  ? -20.270 -14.140 7.449   1.000 16.797 0 74  PRO A CB  1 ? 
ATOM   552  C  CG  . PRO A 1 74  ? -20.110 -15.593 7.772   1.000 18.489 0 74  PRO A CG  1 ? 
ATOM   553  C  CD  . PRO A 1 74  ? -18.692 -15.922 7.318   1.000 15.503 0 74  PRO A CD  1 ? 
ATOM   554  N  N   . SER A 1 75  ? -18.407 -13.406 10.177  1.000 12.124 0 75  SER A N   1 ? 
ATOM   555  C  CA  . SER A 1 75  ? -18.372 -12.746 11.480  1.000 13.198 0 75  SER A CA  1 ? 
ATOM   556  C  C   . SER A 1 75  ? -16.948 -12.383 11.917  1.000 12.674 0 75  SER A C   1 ? 
ATOM   557  O  O   . SER A 1 75  ? -16.746 -12.080 13.092  1.000 11.850 0 75  SER A O   1 ? 
ATOM   558  C  CB  . SER A 1 75  ? -18.992 -13.601 12.523  1.000 16.066 0 75  SER A CB  1 ? 
ATOM   559  O  OG  . SER A 1 75  ? -20.334 -13.898 12.206  1.000 21.599 0 75  SER A OG  1 ? 
ATOM   560  N  N   . TYR A 1 76  ? -15.978 -12.414 10.998  1.000 12.207 0 76  TYR A N   1 ? 
ATOM   561  C  CA  . TYR A 1 76  ? -14.618 -12.055 11.326  1.000 12.039 0 76  TYR A CA  1 ? 
ATOM   562  C  C   . TYR A 1 76  ? -14.558 -10.632 11.861  1.000 13.740 0 76  TYR A C   1 ? 
ATOM   563  O  O   . TYR A 1 76  ? -15.132 -9.727  11.293  1.000 12.375 0 76  TYR A O   1 ? 
ATOM   564  C  CB  . TYR A 1 76  ? -13.694 -12.210 10.128  1.000 12.460 0 76  TYR A CB  1 ? 
ATOM   565  C  CG  . TYR A 1 76  ? -12.338 -11.627 10.333  1.000 11.871 0 76  TYR A CG  1 ? 
ATOM   566  C  CD1 . TYR A 1 76  ? -11.486 -12.111 11.316  1.000 13.371 0 76  TYR A CD1 1 ? 
ATOM   567  C  CD2 . TYR A 1 76  ? -11.903 -10.612 9.500   1.000 12.081 0 76  TYR A CD2 1 ? 
ATOM   568  C  CE1 . TYR A 1 76  ? -10.208 -11.584 11.450  1.000 12.004 0 76  TYR A CE1 1 ? 
ATOM   569  C  CE2 . TYR A 1 76  ? -10.640 -10.068 9.632   1.000 12.353 0 76  TYR A CE2 1 ? 
ATOM   570  C  CZ  . TYR A 1 76  ? -9.778  -10.605 10.573  1.000 12.995 0 76  TYR A CZ  1 ? 
ATOM   571  O  OH  . TYR A 1 76  ? -8.530  -10.085 10.802  1.000 14.775 0 76  TYR A OH  1 ? 
ATOM   572  N  N   . ASN A 1 77  ? -13.847 -10.457 12.974  1.000 13.564 0 77  ASN A N   1 ? 
ATOM   573  C  CA  . ASN A 1 77  ? -13.673 -9.178  13.637  1.000 14.009 0 77  ASN A CA  1 ? 
ATOM   574  C  C   . ASN A 1 77  ? -12.174 -8.923  13.673  1.000 12.970 0 77  ASN A C   1 ? 
ATOM   575  O  O   . ASN A 1 77  ? -11.487 -9.622  14.410  1.000 13.383 0 77  ASN A O   1 ? 
ATOM   576  C  CB  . ASN A 1 77  ? -14.249 -9.232  15.048  1.000 16.665 0 77  ASN A CB  1 ? 
ATOM   577  C  CG  . ASN A 1 77  ? -14.156 -7.895  15.730  1.000 19.979 0 77  ASN A CG  1 ? 
ATOM   578  O  OD1 . ASN A 1 77  ? -13.130 -7.221  15.625  1.000 19.474 0 77  ASN A OD1 1 ? 
ATOM   579  N  ND2 . ASN A 1 77  ? -15.229 -7.488  16.385  1.000 23.054 0 77  ASN A ND2 1 ? 
ATOM   580  N  N   . SER A 1 78  ? -11.679 -7.995  12.858  1.000 13.969 0 78  SER A N   1 ? 
ATOM   581  C  CA  . SER A 1 78  ? -10.257 -7.742  12.769  1.000 15.267 0 78  SER A CA  1 ? 
ATOM   582  C  C   . SER A 1 78  ? -9.693  -7.129  14.066  1.000 18.602 0 78  SER A C   1 ? 
ATOM   583  O  O   . SER A 1 78  ? -8.473  -7.198  14.283  1.000 18.481 0 78  SER A O   1 ? 
ATOM   584  C  CB  . SER A 1 78  ? -9.962  -6.897  11.594  1.000 18.390 0 78  SER A CB  1 ? 
ATOM   585  O  OG  . SER A 1 78  ? -10.659 -5.674  11.705  1.000 20.658 0 78  SER A OG  1 ? 
ATOM   586  N  N   . ASN A 1 79  ? -10.549 -6.558  14.921  1.000 15.889 0 79  ASN A N   1 ? 
ATOM   587  C  CA  . ASN A 1 79  ? -10.073 -5.961  16.158  1.000 16.079 0 79  ASN A CA  1 ? 
ATOM   588  C  C   . ASN A 1 79  ? -9.761  -7.014  17.211  1.000 19.096 0 79  ASN A C   1 ? 
ATOM   589  O  O   . ASN A 1 79  ? -8.697  -6.939  17.822  1.000 20.117 0 79  ASN A O   1 ? 
ATOM   590  C  CB  . ASN A 1 79  ? -11.059 -4.953  16.732  1.000 16.505 0 79  ASN A CB  1 ? 
ATOM   591  C  CG  . ASN A 1 79  ? -11.146 -3.763  15.818  1.000 16.118 0 79  ASN A CG  1 ? 
ATOM   592  O  OD1 . ASN A 1 79  ? -10.145 -3.319  15.257  1.000 19.161 0 79  ASN A OD1 1 ? 
ATOM   593  N  ND2 . ASN A 1 79  ? -12.350 -3.262  15.717  1.000 18.794 0 79  ASN A ND2 1 ? 
ATOM   594  N  N   . THR A 1 80  ? -10.646 -8.012  17.368  1.000 15.429 0 80  THR A N   1 ? 
ATOM   595  C  CA  . THR A 1 80  ? -10.483 -9.054  18.372  1.000 16.495 0 80  THR A CA  1 ? 
ATOM   596  C  C   . THR A 1 80  ? -9.912  -10.368 17.815  1.000 16.501 0 80  THR A C   1 ? 
ATOM   597  O  O   . THR A 1 80  ? -9.537  -11.243 18.615  1.000 17.588 0 80  THR A O   1 ? 
ATOM   598  C  CB  . THR A 1 80  ? -11.835 -9.325  19.028  1.000 18.397 0 80  THR A CB  1 ? 
ATOM   599  O  OG1 . THR A 1 80  ? -12.633 -9.864  17.982  1.000 16.614 0 80  THR A OG1 1 ? 
ATOM   600  C  CG2 . THR A 1 80  ? -12.489 -8.083  19.605  1.000 20.057 0 80  THR A CG2 1 ? 
ATOM   601  N  N   . LEU A 1 81  ? -9.883  -10.512 16.477  1.000 16.371 0 81  LEU A N   1 ? 
ATOM   602  C  CA  . LEU A 1 81  ? -9.465  -11.727 15.765  1.000 14.621 0 81  LEU A CA  1 ? 
ATOM   603  C  C   . LEU A 1 81  ? -10.428 -12.874 16.048  1.000 14.050 0 81  LEU A C   1 ? 
ATOM   604  O  O   . LEU A 1 81  ? -10.145 -14.011 15.745  1.000 13.695 0 81  LEU A O   1 ? 
ATOM   605  C  CB  . LEU A 1 81  ? -8.002  -12.084 16.057  1.000 16.688 0 81  LEU A CB  1 ? 
ATOM   606  C  CG  . LEU A 1 81  ? -6.968  -11.125 15.469  1.000 20.499 0 81  LEU A CG  1 ? 
ATOM   607  C  CD1 . LEU A 1 81  ? -5.565  -11.628 15.703  1.000 24.032 0 81  LEU A CD1 1 ? 
ATOM   608  C  CD2 . LEU A 1 81  ? -7.167  -10.949 13.992  1.000 21.324 0 81  LEU A CD2 1 ? 
ATOM   609  N  N   . ASN A 1 82  ? -11.629 -12.584 16.556  1.000 12.662 0 82  ASN A N   1 ? 
ATOM   610  C  CA  . ASN A 1 82  ? -12.678 -13.587 16.600  1.000 12.475 0 82  ASN A CA  1 ? 
ATOM   611  C  C   . ASN A 1 82  ? -13.075 -14.004 15.179  1.000 12.519 0 82  ASN A C   1 ? 
ATOM   612  O  O   . ASN A 1 82  ? -13.266 -13.162 14.309  1.000 12.193 0 82  ASN A O   1 ? 
ATOM   613  C  CB  . ASN A 1 82  ? -13.870 -13.055 17.398  1.000 13.277 0 82  ASN A CB  1 ? 
ATOM   614  C  CG  . ASN A 1 82  ? -14.801 -14.156 17.863  1.000 15.203 0 82  ASN A CG  1 ? 
ATOM   615  O  OD1 . ASN A 1 82  ? -14.426 -15.309 18.040  1.000 16.608 0 82  ASN A OD1 1 ? 
ATOM   616  N  ND2 . ASN A 1 82  ? -16.056 -13.797 18.026  1.000 17.946 0 82  ASN A ND2 1 ? 
ATOM   617  N  N   . ASN A 1 83  ? -13.225 -15.309 14.952  1.000 12.158 0 83  ASN A N   1 ? 
ATOM   618  C  CA  . ASN A 1 83  ? -13.576 -15.911 13.670  1.000 12.506 0 83  ASN A CA  1 ? 
ATOM   619  C  C   . ASN A 1 83  ? -12.497 -15.640 12.631  1.000 11.844 0 83  ASN A C   1 ? 
ATOM   620  O  O   . ASN A 1 83  ? -12.805 -15.361 11.472  1.000 9.834  0 83  ASN A O   1 ? 
ATOM   621  C  CB  . ASN A 1 83  ? -14.957 -15.471 13.156  1.000 12.677 0 83  ASN A CB  1 ? 
ATOM   622  C  CG  . ASN A 1 83  ? -16.019 -15.720 14.207  1.000 15.754 0 83  ASN A CG  1 ? 
ATOM   623  O  OD1 . ASN A 1 83  ? -16.236 -16.830 14.643  1.000 16.074 0 83  ASN A OD1 1 ? 
ATOM   624  N  ND2 . ASN A 1 83  ? -16.650 -14.655 14.669  1.000 15.752 0 83  ASN A ND2 1 ? 
ATOM   625  N  N   . ASP A 1 84  ? -11.229 -15.865 13.024  1.000 12.231 0 84  ASP A N   1 ? 
ATOM   626  C  CA  . ASP A 1 84  ? -10.093 -15.616 12.135  1.000 10.978 0 84  ASP A CA  1 ? 
ATOM   627  C  C   . ASP A 1 84  ? -9.871  -16.820 11.220  1.000 10.562 0 84  ASP A C   1 ? 
ATOM   628  O  O   . ASP A 1 84  ? -9.031  -17.677 11.485  1.000 10.541 0 84  ASP A O   1 ? 
ATOM   629  C  CB  . ASP A 1 84  ? -8.845  -15.263 12.960  1.000 10.984 0 84  ASP A CB  1 ? 
ATOM   630  C  CG  . ASP A 1 84  ? -7.679  -14.777 12.153  1.000 11.800 0 84  ASP A CG  1 ? 
ATOM   631  O  OD1 . ASP A 1 84  ? -7.897  -14.486 10.958  1.000 10.770 0 84  ASP A OD1 1 ? 
ATOM   632  O  OD2 . ASP A 1 84  ? -6.523  -14.768 12.734  1.000 12.795 0 84  ASP A OD2 1 ? 
ATOM   633  N  N   . ILE A 1 85  ? -10.675 -16.893 10.159  1.000 10.448 0 85  ILE A N   1 ? 
ATOM   634  C  CA  . ILE A 1 85  ? -10.682 -18.023 9.238   1.000 9.915  0 85  ILE A CA  1 ? 
ATOM   635  C  C   . ILE A 1 85  ? -11.176 -17.492 7.894   1.000 10.147 0 85  ILE A C   1 ? 
ATOM   636  O  O   . ILE A 1 85  ? -12.083 -16.684 7.810   1.000 10.257 0 85  ILE A O   1 ? 
ATOM   637  C  CB  . ILE A 1 85  ? -11.494 -19.226 9.798   1.000 10.554 0 85  ILE A CB  1 ? 
ATOM   638  C  CG1 . ILE A 1 85  ? -11.380 -20.420 8.865   1.000 11.909 0 85  ILE A CG1 1 ? 
ATOM   639  C  CG2 . ILE A 1 85  ? -12.941 -18.911 10.047  1.000 11.360 0 85  ILE A CG2 1 ? 
ATOM   640  C  CD1 . ILE A 1 85  ? -11.978 -21.701 9.419   1.000 13.270 0 85  ILE A CD1 1 ? 
ATOM   641  N  N   . MET A 1 86  ? -10.598 -18.065 6.834   1.000 10.480 0 86  MET A N   1 ? 
ATOM   642  C  CA  . MET A 1 86  ? -10.864 -17.690 5.450   1.000 11.133 0 86  MET A CA  1 ? 
ATOM   643  C  C   . MET A 1 86  ? -10.681 -18.928 4.597   1.000 10.657 0 86  MET A C   1 ? 
ATOM   644  O  O   . MET A 1 86  ? -9.883  -19.816 4.957   1.000 12.012 0 86  MET A O   1 ? 
ATOM   645  C  CB  . MET A 1 86  ? -9.872  -16.597 5.035   1.000 14.604 0 86  MET A CB  1 ? 
ATOM   646  C  CG  . MET A 1 86  ? -9.567  -16.481 3.635   1.000 20.245 0 86  MET A CG  1 ? 
ATOM   647  S  SD  . MET A 1 86  ? -8.499  -15.035 3.451   1.000 20.091 0 86  MET A SD  1 ? 
ATOM   648  C  CE  . MET A 1 86  ? -6.870  -15.721 3.594   1.000 19.685 0 86  MET A CE  1 ? 
ATOM   649  N  N   . LEU A 1 87  ? -11.500 -19.036 3.556   1.000 10.372 0 87  LEU A N   1 ? 
ATOM   650  C  CA  . LEU A 1 87  ? -11.344 -20.061 2.540   1.000 11.299 0 87  LEU A CA  1 ? 
ATOM   651  C  C   . LEU A 1 87  ? -10.833 -19.444 1.251   1.000 10.825 0 87  LEU A C   1 ? 
ATOM   652  O  O   . LEU A 1 87  ? -11.276 -18.383 0.858   1.000 14.154 0 87  LEU A O   1 ? 
ATOM   653  C  CB  . LEU A 1 87  ? -12.701 -20.718 2.272   1.000 12.038 0 87  LEU A CB  1 ? 
ATOM   654  C  CG  . LEU A 1 87  ? -13.183 -21.602 3.423   1.000 14.562 0 87  LEU A CG  1 ? 
ATOM   655  C  CD1 . LEU A 1 87  ? -14.664 -21.937 3.302   1.000 17.284 0 87  LEU A CD1 1 ? 
ATOM   656  C  CD2 . LEU A 1 87  ? -12.362 -22.872 3.524   1.000 18.174 0 87  LEU A CD2 1 ? 
ATOM   657  N  N   . ILE A 1 88  ? -9.987  -20.193 0.542   1.000 11.172 0 88  ILE A N   1 ? 
ATOM   658  C  CA  . ILE A 1 88  ? -9.422  -19.711 -0.706  1.000 11.726 0 88  ILE A CA  1 ? 
ATOM   659  C  C   . ILE A 1 88  ? -9.688  -20.813 -1.714  1.000 12.493 0 88  ILE A C   1 ? 
ATOM   660  O  O   . ILE A 1 88  ? -9.346  -21.928 -1.464  1.000 14.712 0 88  ILE A O   1 ? 
ATOM   661  C  CB  . ILE A 1 88  ? -7.920  -19.418 -0.565  1.000 13.408 0 88  ILE A CB  1 ? 
ATOM   662  C  CG1 . ILE A 1 88  ? -7.614  -18.386 0.519   1.000 15.487 0 88  ILE A CG1 1 ? 
ATOM   663  C  CG2 . ILE A 1 88  ? -7.352  -19.006 -1.917  1.000 14.578 0 88  ILE A CG2 1 ? 
ATOM   664  C  CD1 . ILE A 1 88  ? -6.148  -18.250 0.818   1.000 16.167 0 88  ILE A CD1 1 ? 
ATOM   665  N  N   . LYS A 1 89  ? -10.328 -20.470 -2.813  1.000 12.974 0 89  LYS A N   1 ? 
ATOM   666  C  CA  . LYS A 1 89  ? -10.515 -21.426 -3.874  1.000 14.292 0 89  LYS A CA  1 ? 
ATOM   667  C  C   . LYS A 1 89  ? -9.461  -21.241 -4.944  1.000 14.504 0 89  LYS A C   1 ? 
ATOM   668  O  O   . LYS A 1 89  ? -9.236  -20.123 -5.390  1.000 15.467 0 89  LYS A O   1 ? 
ATOM   669  C  CB  . LYS A 1 89  ? -11.860 -21.240 -4.562  1.000 16.434 0 89  LYS A CB  1 ? 
ATOM   670  C  CG  . LYS A 1 89  ? -12.191 -22.467 -5.402  1.000 17.891 0 89  LYS A CG  1 ? 
ATOM   671  C  CD  . LYS A 1 89  ? -13.553 -22.434 -5.989  1.000 20.862 0 89  LYS A CD  1 ? 
ATOM   672  C  CE  . LYS A 1 89  ? -13.859 -23.656 -6.824  1.000 22.150 0 89  LYS A CE  1 ? 
ATOM   673  N  NZ  . LYS A 1 89  ? -15.084 -23.422 -7.635  1.000 25.781 0 89  LYS A NZ  1 ? 
ATOM   674  N  N   . LEU A 1 90  ? -8.925  -22.362 -5.408  1.000 14.649 0 90  LEU A N   1 ? 
ATOM   675  C  CA  . LEU A 1 90  ? -7.873  -22.349 -6.413  1.000 18.232 0 90  LEU A CA  1 ? 
ATOM   676  C  C   . LEU A 1 90  ? -8.517  -22.289 -7.796  1.000 16.964 0 90  LEU A C   1 ? 
ATOM   677  O  O   . LEU A 1 90  ? -9.561  -22.903 -7.980  1.000 18.854 0 90  LEU A O   1 ? 
ATOM   678  C  CB  . LEU A 1 90  ? -7.066  -23.631 -6.266  1.000 19.384 0 90  LEU A CB  1 ? 
ATOM   679  C  CG  . LEU A 1 90  ? -6.396  -23.875 -4.905  1.000 21.564 0 90  LEU A CG  1 ? 
ATOM   680  C  CD1 . LEU A 1 90  ? -5.615  -25.166 -4.935  1.000 21.883 0 90  LEU A CD1 1 ? 
ATOM   681  C  CD2 . LEU A 1 90  ? -5.506  -22.715 -4.538  1.000 25.769 0 90  LEU A CD2 1 ? 
ATOM   682  N  N   . LYS A 1 91  ? -7.877  -21.610 -8.745  1.000 20.044 0 91  LYS A N   1 ? 
ATOM   683  C  CA  . LYS A 1 91  ? -8.399  -21.478 -10.104 1.000 23.436 0 91  LYS A CA  1 ? 
ATOM   684  C  C   . LYS A 1 91  ? -8.493  -22.832 -10.803 1.000 23.924 0 91  LYS A C   1 ? 
ATOM   685  O  O   . LYS A 1 91  ? -9.340  -23.040 -11.675 1.000 25.043 0 91  LYS A O   1 ? 
ATOM   686  C  CB  . LYS A 1 91  ? -7.501  -20.535 -10.915 1.000 27.373 0 91  LYS A CB  1 ? 
ATOM   687  C  CG  . LYS A 1 91  ? -7.875  -19.064 -10.856 1.000 34.204 0 91  LYS A CG  1 ? 
ATOM   688  C  CD  . LYS A 1 91  ? -7.181  -18.260 -11.950 1.000 38.406 0 91  LYS A CD  1 ? 
ATOM   689  C  CE  . LYS A 1 91  ? -7.314  -16.765 -11.758 1.000 41.577 0 91  LYS A CE  1 ? 
ATOM   690  N  NZ  . LYS A 1 91  ? -7.212  -16.043 -13.048 1.000 48.323 0 91  LYS A NZ  1 ? 
ATOM   691  N  N   . SER A 1 92  ? -7.586  -23.759 -10.480 1.000 22.480 0 92  SER A N   1 ? 
ATOM   692  C  CA  . SER A 1 92  ? -7.638  -25.113 -10.992 1.000 23.033 0 92  SER A CA  1 ? 
ATOM   693  C  C   . SER A 1 92  ? -7.239  -26.078 -9.875  1.000 26.483 0 92  SER A C   1 ? 
ATOM   694  O  O   . SER A 1 92  ? -6.630  -25.676 -8.876  1.000 23.488 0 92  SER A O   1 ? 
ATOM   695  C  CB  . SER A 1 92  ? -6.751  -25.246 -12.208 1.000 28.750 0 92  SER A CB  1 ? 
ATOM   696  O  OG  . SER A 1 92  ? -5.396  -25.149 -11.820 1.000 33.533 0 92  SER A OG  1 ? 
ATOM   697  N  N   . ALA A 1 93  ? -7.679  -27.330 -10.001 1.000 22.524 0 93  ALA A N   1 ? 
ATOM   698  C  CA  . ALA A 1 93  ? -7.474  -28.321 -8.971  1.000 22.160 0 93  ALA A CA  1 ? 
ATOM   699  C  C   . ALA A 1 93  ? -5.987  -28.634 -8.903  1.000 23.297 0 93  ALA A C   1 ? 
ATOM   700  O  O   . ALA A 1 93  ? -5.338  -28.760 -9.937  1.000 24.380 0 93  ALA A O   1 ? 
ATOM   701  C  CB  . ALA A 1 93  ? -8.278  -29.554 -9.292  1.000 22.847 0 93  ALA A CB  1 ? 
ATOM   702  N  N   . ALA A 1 94  ? -5.490  -28.807 -7.681  1.000 20.388 0 94  ALA A N   1 ? 
ATOM   703  C  CA  . ALA A 1 94  ? -4.178  -29.369 -7.417  1.000 21.440 0 94  ALA A CA  1 ? 
ATOM   704  C  C   . ALA A 1 94  ? -4.153  -30.847 -7.811  1.000 21.785 0 94  ALA A C   1 ? 
ATOM   705  O  O   . ALA A 1 94  ? -5.194  -31.500 -7.812  1.000 20.310 0 94  ALA A O   1 ? 
ATOM   706  C  CB  . ALA A 1 94  ? -3.866  -29.222 -5.946  1.000 23.581 0 94  ALA A CB  1 ? 
ATOM   707  N  N   . SER A 1 95  ? -2.965  -31.337 -8.183  1.000 23.295 0 95  SER A N   1 ? 
ATOM   708  C  CA  . SER A 1 95  ? -2.684  -32.762 -8.332  1.000 24.838 0 95  SER A CA  1 ? 
ATOM   709  C  C   . SER A 1 95  ? -2.179  -33.312 -7.016  1.000 25.474 0 95  SER A C   1 ? 
ATOM   710  O  O   . SER A 1 95  ? -1.111  -32.905 -6.552  1.000 28.614 0 95  SER A O   1 ? 
ATOM   711  C  CB  . SER A 1 95  ? -1.641  -33.027 -9.388  1.000 30.614 0 95  SER A CB  1 ? 
ATOM   712  O  OG  . SER A 1 95  ? -2.145  -32.683 -10.652 1.000 36.826 0 95  SER A OG  1 ? 
ATOM   713  N  N   . LEU A 1 96  ? -2.962  -34.218 -6.423  1.000 23.226 0 96  LEU A N   1 ? 
ATOM   714  C  CA  . LEU A 1 96  ? -2.655  -34.771 -5.120  1.000 26.119 0 96  LEU A CA  1 ? 
ATOM   715  C  C   . LEU A 1 96  ? -1.739  -35.967 -5.358  1.000 31.594 0 96  LEU A C   1 ? 
ATOM   716  O  O   . LEU A 1 96  ? -1.942  -36.697 -6.330  1.000 32.275 0 96  LEU A O   1 ? 
ATOM   717  C  CB  . LEU A 1 96  ? -3.957  -35.143 -4.413  1.000 26.533 0 96  LEU A CB  1 ? 
ATOM   718  C  CG  . LEU A 1 96  ? -4.925  -33.985 -4.193  1.000 30.483 0 96  LEU A CG  1 ? 
ATOM   719  C  CD1 . LEU A 1 96  ? -6.057  -34.366 -3.241  1.000 35.042 0 96  LEU A CD1 1 ? 
ATOM   720  C  CD2 . LEU A 1 96  ? -4.203  -32.766 -3.639  1.000 30.140 0 96  LEU A CD2 1 ? 
ATOM   721  N  N   . ASN A 1 97  ? -0.684  -36.056 -4.549  1.000 29.888 0 97  ASN A N   1 ? 
ATOM   722  C  CA  . ASN A 1 97  ? 0.372   -37.064 -4.651  1.000 36.214 0 97  ASN A CA  1 ? 
ATOM   723  C  C   . ASN A 1 97  ? 0.962   -37.253 -3.245  1.000 36.302 0 97  ASN A C   1 ? 
ATOM   724  O  O   . ASN A 1 97  ? 0.316   -36.923 -2.252  1.000 37.435 0 97  ASN A O   1 ? 
ATOM   725  C  CB  . ASN A 1 97  ? 1.381   -36.714 -5.764  1.000 37.615 0 97  ASN A CB  1 ? 
ATOM   726  C  CG  . ASN A 1 97  ? 1.981   -35.318 -5.703  1.000 41.125 0 97  ASN A CG  1 ? 
ATOM   727  O  OD1 . ASN A 1 97  ? 1.784   -34.508 -6.609  1.000 45.070 0 97  ASN A OD1 1 ? 
ATOM   728  N  ND2 . ASN A 1 97  ? 2.777   -35.039 -4.689  1.000 39.924 0 97  ASN A ND2 1 ? 
ATOM   729  N  N   . SER A 1 98  ? 2.173   -37.794 -3.115  1.000 37.163 0 98  SER A N   1 ? 
ATOM   730  C  CA  . SER A 1 98  ? 2.715   -38.005 -1.784  1.000 38.711 0 98  SER A CA  1 ? 
ATOM   731  C  C   . SER A 1 98  ? 3.273   -36.693 -1.220  1.000 36.843 0 98  SER A C   1 ? 
ATOM   732  O  O   . SER A 1 98  ? 3.391   -36.557 -0.005  1.000 38.598 0 98  SER A O   1 ? 
ATOM   733  C  CB  . SER A 1 98  ? 3.732   -39.121 -1.779  1.000 38.167 0 98  SER A CB  1 ? 
ATOM   734  O  OG  . SER A 1 98  ? 4.914   -38.695 -2.417  1.000 40.654 0 98  SER A OG  1 ? 
ATOM   735  N  N   . ARG A 1 99  ? 3.566   -35.707 -2.088  1.000 34.148 0 99  ARG A N   1 ? 
ATOM   736  C  CA  . ARG A 1 99  ? 4.139   -34.433 -1.667  1.000 30.566 0 99  ARG A CA  1 ? 
ATOM   737  C  C   . ARG A 1 99  ? 3.076   -33.343 -1.488  1.000 28.270 0 99  ARG A C   1 ? 
ATOM   738  O  O   . ARG A 1 99  ? 3.323   -32.319 -0.840  1.000 28.745 0 99  ARG A O   1 ? 
ATOM   739  C  CB  . ARG A 1 99  ? 5.183   -34.010 -2.702  1.000 36.661 0 99  ARG A CB  1 ? 
ATOM   740  C  CG  . ARG A 1 99  ? 6.329   -35.007 -2.770  1.000 43.706 0 99  ARG A CG  1 ? 
ATOM   741  C  CD  . ARG A 1 99  ? 7.554   -34.534 -3.520  1.000 53.008 0 99  ARG A CD  1 ? 
ATOM   742  N  NE  . ARG A 1 99  ? 8.671   -35.461 -3.350  1.000 56.941 0 99  ARG A NE  1 ? 
ATOM   743  C  CZ  . ARG A 1 99  ? 8.700   -36.699 -3.833  1.000 65.762 0 99  ARG A CZ  1 ? 
ATOM   744  N  NH1 . ARG A 1 99  ? 7.709   -37.142 -4.591  1.000 64.146 0 99  ARG A NH1 1 ? 
ATOM   745  N  NH2 . ARG A 1 99  ? 9.733   -37.485 -3.575  1.000 66.752 0 99  ARG A NH2 1 ? 
ATOM   746  N  N   . VAL A 1 100 ? 1.901   -33.549 -2.094  1.000 21.298 0 100 VAL A N   1 ? 
ATOM   747  C  CA  . VAL A 1 100 ? 0.808   -32.598 -2.014  1.000 19.760 0 100 VAL A CA  1 ? 
ATOM   748  C  C   . VAL A 1 100 ? -0.452  -33.393 -1.707  1.000 21.207 0 100 VAL A C   1 ? 
ATOM   749  O  O   . VAL A 1 100 ? -0.899  -34.221 -2.502  1.000 20.062 0 100 VAL A O   1 ? 
ATOM   750  C  CB  . VAL A 1 100 ? 0.672   -31.801 -3.308  1.000 19.358 0 100 VAL A CB  1 ? 
ATOM   751  C  CG1 . VAL A 1 100 ? -0.570  -30.933 -3.283  1.000 20.314 0 100 VAL A CG1 1 ? 
ATOM   752  C  CG2 . VAL A 1 100 ? 1.926   -30.981 -3.590  1.000 19.069 0 100 VAL A CG2 1 ? 
ATOM   753  N  N   . ALA A 1 101 ? -0.986  -33.177 -0.511  1.000 18.590 0 101 ALA A N   1 ? 
ATOM   754  C  CA  . ALA A 1 101 ? -2.081  -33.995 -0.025  1.000 17.421 0 101 ALA A CA  1 ? 
ATOM   755  C  C   . ALA A 1 101 ? -2.952  -33.134 0.882   1.000 18.368 0 101 ALA A C   1 ? 
ATOM   756  O  O   . ALA A 1 101 ? -2.460  -32.193 1.481   1.000 18.117 0 101 ALA A O   1 ? 
ATOM   757  C  CB  . ALA A 1 101 ? -1.517  -35.179 0.705   1.000 18.682 0 101 ALA A CB  1 ? 
ATOM   758  N  N   . SER A 1 102 ? -4.248  -33.462 0.961   1.000 17.721 0 102 SER A N   1 ? 
ATOM   759  C  CA  . SER A 1 102 ? -5.171  -32.714 1.788   1.000 17.625 0 102 SER A CA  1 ? 
ATOM   760  C  C   . SER A 1 102 ? -5.178  -33.231 3.221   1.000 17.756 0 102 SER A C   1 ? 
ATOM   761  O  O   . SER A 1 102 ? -4.721  -34.342 3.528   1.000 17.943 0 102 SER A O   1 ? 
ATOM   762  C  CB  . SER A 1 102 ? -6.555  -32.757 1.188   1.000 20.898 0 102 SER A CB  1 ? 
ATOM   763  O  OG  . SER A 1 102 ? -6.980  -34.093 1.090   1.000 25.080 0 102 SER A OG  1 ? 
ATOM   764  N  N   . ILE A 1 103 ? -5.587  -32.343 4.149   1.000 15.564 0 103 ILE A N   1 ? 
ATOM   765  C  CA  . ILE A 1 103 ? -5.732  -32.679 5.550   1.000 16.229 0 103 ILE A CA  1 ? 
ATOM   766  C  C   . ILE A 1 103 ? -7.228  -32.711 5.851   1.000 16.680 0 103 ILE A C   1 ? 
ATOM   767  O  O   . ILE A 1 103 ? -8.025  -31.945 5.296   1.000 18.751 0 103 ILE A O   1 ? 
ATOM   768  C  CB  . ILE A 1 103 ? -4.967  -31.705 6.481   1.000 16.642 0 103 ILE A CB  1 ? 
ATOM   769  C  CG1 . ILE A 1 103 ? -5.002  -32.125 7.947   1.000 19.312 0 103 ILE A CG1 1 ? 
ATOM   770  C  CG2 . ILE A 1 103 ? -5.519  -30.299 6.413   1.000 17.474 0 103 ILE A CG2 1 ? 
ATOM   771  C  CD1 . ILE A 1 103 ? -4.132  -33.287 8.278   1.000 22.298 0 103 ILE A CD1 1 ? 
ATOM   772  N  N   . SER A 1 104 ? -7.613  -33.665 6.694   1.000 18.772 0 104 SER A N   1 ? 
ATOM   773  C  CA  . SER A 1 104 ? -9.006  -33.848 7.060   1.000 20.950 0 104 SER A CA  1 ? 
ATOM   774  C  C   . SER A 1 104 ? -9.459  -32.765 8.029   1.000 19.149 0 104 SER A C   1 ? 
ATOM   775  O  O   . SER A 1 104 ? -8.721  -32.435 8.957   1.000 17.371 0 104 SER A O   1 ? 
ATOM   776  C  CB  . SER A 1 104 ? -9.198  -35.184 7.721   1.000 24.672 0 104 SER A CB  1 ? 
ATOM   777  O  OG  . SER A 1 104 ? -8.832  -36.206 6.819   1.000 31.366 0 104 SER A OG  1 ? 
ATOM   778  N  N   . LEU A 1 105 ? -10.735 -32.390 7.910   1.000 19.014 0 105 LEU A N   1 ? 
ATOM   779  C  CA  . LEU A 1 105 ? -11.367 -31.566 8.929   1.000 16.536 0 105 LEU A CA  1 ? 
ATOM   780  C  C   . LEU A 1 105 ? -11.789 -32.431 10.108  1.000 18.678 0 105 LEU A C   1 ? 
ATOM   781  O  O   . LEU A 1 105 ? -12.075 -33.619 9.940   1.000 19.490 0 105 LEU A O   1 ? 
ATOM   782  C  CB  . LEU A 1 105 ? -12.595 -30.892 8.324   1.000 19.214 0 105 LEU A CB  1 ? 
ATOM   783  C  CG  . LEU A 1 105 ? -12.307 -29.880 7.214   1.000 21.119 0 105 LEU A CG  1 ? 
ATOM   784  C  CD1 . LEU A 1 105 ? -13.618 -29.399 6.623   1.000 24.446 0 105 LEU A CD1 1 ? 
ATOM   785  C  CD2 . LEU A 1 105 ? -11.512 -28.705 7.776   1.000 23.063 0 105 LEU A CD2 1 ? 
ATOM   786  N  N   . PRO A 1 106 ? -11.909 -31.840 11.314  1.000 18.101 0 106 PRO A N   1 ? 
ATOM   787  C  CA  . PRO A 1 106 ? -12.311 -32.578 12.509  1.000 20.516 0 106 PRO A CA  1 ? 
ATOM   788  C  C   . PRO A 1 106 ? -13.820 -32.815 12.587  1.000 23.395 0 106 PRO A C   1 ? 
ATOM   789  O  O   . PRO A 1 106 ? -14.583 -31.990 12.117  1.000 20.970 0 106 PRO A O   1 ? 
ATOM   790  C  CB  . PRO A 1 106 ? -11.848 -31.657 13.634  1.000 21.164 0 106 PRO A CB  1 ? 
ATOM   791  C  CG  . PRO A 1 106 ? -12.015 -30.287 13.066  1.000 21.254 0 106 PRO A CG  1 ? 
ATOM   792  C  CD  . PRO A 1 106 ? -11.655 -30.417 11.598  1.000 20.047 0 106 PRO A CD  1 ? 
ATOM   793  N  N   . THR A 1 107 ? -14.230 -33.972 13.109  1.000 28.315 0 107 THR A N   1 ? 
ATOM   794  C  CA  . THR A 1 107 ? -15.630 -34.206 13.426  1.000 32.412 0 107 THR A CA  1 ? 
ATOM   795  C  C   . THR A 1 107 ? -15.867 -33.739 14.849  1.000 32.660 0 107 THR A C   1 ? 
ATOM   796  O  O   . THR A 1 107 ? -16.981 -33.388 15.225  1.000 40.557 0 107 THR A O   1 ? 
ATOM   797  C  CB  . THR A 1 107 ? -16.021 -35.684 13.301  1.000 36.306 0 107 THR A CB  1 ? 
ATOM   798  O  OG1 . THR A 1 107 ? -15.145 -36.452 14.126  1.000 39.096 0 107 THR A OG1 1 ? 
ATOM   799  C  CG2 . THR A 1 107 ? -15.935 -36.199 11.886  1.000 37.313 0 107 THR A CG2 1 ? 
ATOM   800  N  N   . SER A 1 108 ? -14.774 -33.680 15.596  1.000 29.737 0 108 SER A N   1 ? 
ATOM   801  C  CA  . SER A 1 108 ? -14.791 -33.497 17.024  1.000 30.181 0 108 SER A CA  1 ? 
ATOM   802  C  C   . SER A 1 108 ? -13.684 -32.510 17.417  1.000 28.271 0 108 SER A C   1 ? 
ATOM   803  O  O   . SER A 1 108 ? -12.651 -32.442 16.762  1.000 27.893 0 108 SER A O   1 ? 
ATOM   804  C  CB  . SER A 1 108 ? -14.642 -34.875 17.621  1.000 35.375 0 108 SER A CB  1 ? 
ATOM   805  O  OG  . SER A 1 108 ? -13.981 -34.864 18.858  1.000 39.753 0 108 SER A OG  1 ? 
ATOM   806  N  N   . CYS A 1 109 ? -13.894 -31.761 18.499  1.000 24.007 0 109 CYS A N   1 ? 
ATOM   807  C  CA  . CYS A 1 109 ? -12.893 -30.824 18.994  1.000 22.510 0 109 CYS A CA  1 ? 
ATOM   808  C  C   . CYS A 1 109 ? -11.809 -31.578 19.747  1.000 24.970 0 109 CYS A C   1 ? 
ATOM   809  O  O   . CYS A 1 109 ? -12.046 -32.639 20.304  1.000 25.745 0 109 CYS A O   1 ? 
ATOM   810  C  CB  . CYS A 1 109 ? -13.513 -29.765 19.895  1.000 23.425 0 109 CYS A CB  1 ? 
ATOM   811  S  SG  . CYS A 1 109 ? -14.704 -28.742 18.989  1.000 22.240 0 109 CYS A SG  1 ? 
ATOM   812  N  N   . ALA A 1 110 ? -10.595 -31.057 19.724  1.000 22.754 0 110 ALA A N   1 ? 
ATOM   813  C  CA  . ALA A 1 110 ? -9.490  -31.742 20.360  1.000 24.089 0 110 ALA A CA  1 ? 
ATOM   814  C  C   . ALA A 1 110 ? -9.455  -31.414 21.860  1.000 25.460 0 110 ALA A C   1 ? 
ATOM   815  O  O   . ALA A 1 110 ? -9.950  -30.367 22.271  1.000 26.864 0 110 ALA A O   1 ? 
ATOM   816  C  CB  . ALA A 1 110 ? -8.224  -31.372 19.657  1.000 27.521 0 110 ALA A CB  1 ? 
ATOM   817  N  N   . SER A 1 111 ? -8.861  -32.327 22.646  1.000 25.291 0 111 SER A N   1 ? 
ATOM   818  C  CA  . SER A 1 111 ? -8.803  -32.251 24.102  1.000 28.951 0 111 SER A CA  1 ? 
ATOM   819  C  C   . SER A 1 111 ? -7.559  -31.511 24.592  1.000 22.655 0 111 SER A C   1 ? 
ATOM   820  O  O   . SER A 1 111 ? -6.491  -31.662 24.034  1.000 21.284 0 111 SER A O   1 ? 
ATOM   821  C  CB  . SER A 1 111 ? -8.816  -33.649 24.700  1.000 33.275 0 111 SER A CB  1 ? 
ATOM   822  O  OG  . SER A 1 111 ? -10.018 -34.336 24.361  1.000 39.227 0 111 SER A OG  1 ? 
ATOM   823  N  N   . ALA A 1 112 ? -7.682  -30.812 25.716  1.000 22.388 0 112 ALA A N   1 ? 
ATOM   824  C  CA  . ALA A 1 112 ? -6.547  -30.312 26.467  1.000 21.423 0 112 ALA A CA  1 ? 
ATOM   825  C  C   . ALA A 1 112 ? -5.506  -31.409 26.644  1.000 22.635 0 112 ALA A C   1 ? 
ATOM   826  O  O   . ALA A 1 112 ? -5.847  -32.579 26.875  1.000 23.823 0 112 ALA A O   1 ? 
ATOM   827  C  CB  . ALA A 1 112 ? -7.013  -29.811 27.814  1.000 24.253 0 112 ALA A CB  1 ? 
ATOM   828  N  N   . GLY A 1 113 ? -4.229  -31.040 26.521  1.000 19.677 0 113 GLY A N   1 ? 
ATOM   829  C  CA  . GLY A 1 113 ? -3.148  -32.007 26.652  1.000 22.517 0 113 GLY A CA  1 ? 
ATOM   830  C  C   . GLY A 1 113 ? -2.771  -32.748 25.367  1.000 22.778 0 113 GLY A C   1 ? 
ATOM   831  O  O   . GLY A 1 113 ? -1.776  -33.464 25.362  1.000 25.159 0 113 GLY A O   1 ? 
ATOM   832  N  N   . THR A 1 114 ? -3.601  -32.659 24.318  1.000 20.173 0 114 THR A N   1 ? 
ATOM   833  C  CA  . THR A 1 114 ? -3.314  -33.282 23.036  1.000 20.583 0 114 THR A CA  1 ? 
ATOM   834  C  C   . THR A 1 114 ? -2.123  -32.578 22.414  1.000 19.675 0 114 THR A C   1 ? 
ATOM   835  O  O   . THR A 1 114 ? -2.057  -31.351 22.416  1.000 17.823 0 114 THR A O   1 ? 
ATOM   836  C  CB  . THR A 1 114 ? -4.532  -33.275 22.102  1.000 20.980 0 114 THR A CB  1 ? 
ATOM   837  O  OG1 . THR A 1 114 ? -5.594  -33.968 22.763  1.000 26.215 0 114 THR A OG1 1 ? 
ATOM   838  C  CG2 . THR A 1 114 ? -4.250  -33.974 20.796  1.000 21.953 0 114 THR A CG2 1 ? 
ATOM   839  N  N   . GLN A 1 115 ? -1.164  -33.371 21.931  1.000 19.505 0 115 GLN A N   1 ? 
ATOM   840  C  CA  . GLN A 1 115 ? 0.011   -32.815 21.273  1.000 21.852 0 115 GLN A CA  1 ? 
ATOM   841  C  C   . GLN A 1 115 ? -0.342  -32.577 19.805  1.000 19.020 0 115 GLN A C   1 ? 
ATOM   842  O  O   . GLN A 1 115 ? -0.975  -33.405 19.155  1.000 20.013 0 115 GLN A O   1 ? 
ATOM   843  C  CB  . GLN A 1 115 ? 1.203   -33.773 21.371  1.000 25.462 0 115 GLN A CB  1 ? 
ATOM   844  C  CG  . GLN A 1 115 ? 1.794   -33.927 22.757  1.000 31.287 0 115 GLN A CG  1 ? 
ATOM   845  C  CD  . GLN A 1 115 ? 2.586   -32.723 23.202  1.000 36.632 0 115 GLN A CD  1 ? 
ATOM   846  O  OE1 . GLN A 1 115 ? 3.180   -31.998 22.403  1.000 44.593 0 115 GLN A OE1 1 ? 
ATOM   847  N  NE2 . GLN A 1 115 ? 2.553   -32.471 24.500  1.000 46.473 0 115 GLN A NE2 1 ? 
ATOM   848  N  N   . CYS A 1 116 ? -0.001  -31.402 19.293  1.000 15.600 0 116 CYS A N   1 ? 
ATOM   849  C  CA  . CYS A 1 116 ? -0.336  -31.024 17.943  1.000 15.139 0 116 CYS A CA  1 ? 
ATOM   850  C  C   . CYS A 1 116 ? 0.931   -30.625 17.204  1.000 14.349 0 116 CYS A C   1 ? 
ATOM   851  O  O   . CYS A 1 116 ? 1.913   -30.258 17.840  1.000 16.248 0 116 CYS A O   1 ? 
ATOM   852  C  CB  . CYS A 1 116 ? -1.290  -29.846 17.922  1.000 16.807 0 116 CYS A CB  1 ? 
ATOM   853  S  SG  . CYS A 1 116 ? -2.805  -30.182 18.869  1.000 19.550 0 116 CYS A SG  1 ? 
ATOM   854  N  N   . LEU A 1 117 ? 0.849   -30.646 15.873  1.000 12.924 0 117 LEU A N   1 ? 
ATOM   855  C  CA  . LEU A 1 117 ? 1.958   -30.240 15.029  1.000 12.015 0 117 LEU A CA  1 ? 
ATOM   856  C  C   . LEU A 1 117 ? 1.588   -28.925 14.331  1.000 11.779 0 117 LEU A C   1 ? 
ATOM   857  O  O   . LEU A 1 117 ? 0.542   -28.852 13.689  1.000 13.621 0 117 LEU A O   1 ? 
ATOM   858  C  CB  . LEU A 1 117 ? 2.203   -31.319 13.976  1.000 14.394 0 117 LEU A CB  1 ? 
ATOM   859  C  CG  . LEU A 1 117 ? 3.327   -31.016 12.980  1.000 16.092 0 117 LEU A CG  1 ? 
ATOM   860  C  CD1 . LEU A 1 117 ? 4.684   -31.113 13.677  1.000 17.958 0 117 LEU A CD1 1 ? 
ATOM   861  C  CD2 . LEU A 1 117 ? 3.251   -31.945 11.798  1.000 20.282 0 117 LEU A CD2 1 ? 
ATOM   862  N  N   . ILE A 1 118 ? 2.413   -27.916 14.603  1.000 11.923 0 118 ILE A N   1 ? 
ATOM   863  C  CA  . ILE A 1 118 ? 2.303   -26.601 13.992  1.000 12.845 0 118 ILE A CA  1 ? 
ATOM   864  C  C   . ILE A 1 118 ? 3.494   -26.382 13.076  1.000 12.750 0 118 ILE A C   1 ? 
ATOM   865  O  O   . ILE A 1 118 ? 4.621   -26.789 13.386  1.000 12.723 0 118 ILE A O   1 ? 
ATOM   866  C  CB  . ILE A 1 118 ? 2.266   -25.554 15.099  1.000 13.802 0 118 ILE A CB  1 ? 
ATOM   867  C  CG1 . ILE A 1 118 ? 1.182   -25.949 16.117  1.000 15.518 0 118 ILE A CG1 1 ? 
ATOM   868  C  CG2 . ILE A 1 118 ? 2.111   -24.143 14.507  1.000 15.031 0 118 ILE A CG2 1 ? 
ATOM   869  C  CD1 . ILE A 1 118 ? 1.252   -25.201 17.398  1.000 17.014 0 118 ILE A CD1 1 ? 
ATOM   870  N  N   . SER A 1 119 ? 3.236   -25.780 11.911  1.000 11.970 0 119 SER A N   1 ? 
ATOM   871  C  CA  . SER A 1 119 ? 4.282   -25.642 10.912  1.000 11.809 0 119 SER A CA  1 ? 
ATOM   872  C  C   . SER A 1 119 ? 4.175   -24.329 10.145  1.000 11.495 0 119 SER A C   1 ? 
ATOM   873  O  O   . SER A 1 119 ? 3.144   -23.691 10.063  1.000 11.143 0 119 SER A O   1 ? 
ATOM   874  C  CB  . SER A 1 119 ? 4.272   -26.786 9.947   1.000 12.815 0 119 SER A CB  1 ? 
ATOM   875  O  OG  . SER A 1 119 ? 2.953   -26.994 9.406   1.000 13.620 0 119 SER A OG  1 ? 
ATOM   876  N  N   . GLY A 1 120 ? 5.339   -23.899 9.635   1.000 10.906 0 120 GLY A N   1 ? 
ATOM   877  C  CA  . GLY A 1 120 ? 5.376   -22.746 8.769   1.000 10.970 0 120 GLY A CA  1 ? 
ATOM   878  C  C   . GLY A 1 120 ? 6.760   -22.161 8.571   1.000 11.025 0 120 GLY A C   1 ? 
ATOM   879  O  O   . GLY A 1 120 ? 7.785   -22.650 9.072   1.000 11.262 0 120 GLY A O   1 ? 
ATOM   880  N  N   . TRP A 1 121 ? 6.741   -21.078 7.778   1.000 10.522 0 121 TRP A N   1 ? 
ATOM   881  C  CA  . TRP A 1 121 ? 7.970   -20.378 7.365   1.000 12.511 0 121 TRP A CA  1 ? 
ATOM   882  C  C   . TRP A 1 121 ? 8.159   -19.043 8.080   1.000 13.883 0 121 TRP A C   1 ? 
ATOM   883  O  O   . TRP A 1 121 ? 8.869   -18.146 7.598   1.000 15.167 0 121 TRP A O   1 ? 
ATOM   884  C  CB  . TRP A 1 121 ? 7.975   -20.204 5.857   1.000 12.268 0 121 TRP A CB  1 ? 
ATOM   885  C  CG  . TRP A 1 121 ? 8.121   -21.440 5.032   1.000 11.568 0 121 TRP A CG  1 ? 
ATOM   886  C  CD1 . TRP A 1 121 ? 9.284   -22.052 4.652   1.000 11.701 0 121 TRP A CD1 1 ? 
ATOM   887  C  CD2 . TRP A 1 121 ? 7.053   -22.180 4.437   1.000 11.665 0 121 TRP A CD2 1 ? 
ATOM   888  N  NE1 . TRP A 1 121 ? 8.997   -23.113 3.857   1.000 13.006 0 121 TRP A NE1 1 ? 
ATOM   889  C  CE2 . TRP A 1 121 ? 7.638   -23.225 3.707   1.000 11.289 0 121 TRP A CE2 1 ? 
ATOM   890  C  CE3 . TRP A 1 121 ? 5.669   -22.000 4.367   1.000 10.848 0 121 TRP A CE3 1 ? 
ATOM   891  C  CZ2 . TRP A 1 121 ? 6.876   -24.096 2.944   1.000 12.385 0 121 TRP A CZ2 1 ? 
ATOM   892  C  CZ3 . TRP A 1 121 ? 4.921   -22.913 3.691   1.000 11.115 0 121 TRP A CZ3 1 ? 
ATOM   893  C  CH2 . TRP A 1 121 ? 5.515   -23.930 2.962   1.000 12.253 0 121 TRP A CH2 1 ? 
ATOM   894  N  N   . GLY A 1 122 ? 7.572   -18.907 9.259   1.000 13.346 0 122 GLY A N   1 ? 
ATOM   895  C  CA  . GLY A 1 122 ? 7.641   -17.647 9.970   1.000 12.736 0 122 GLY A CA  1 ? 
ATOM   896  C  C   . GLY A 1 122 ? 8.963   -17.472 10.728  1.000 13.360 0 122 GLY A C   1 ? 
ATOM   897  O  O   . GLY A 1 122 ? 9.846   -18.317 10.711  1.000 12.155 0 122 GLY A O   1 ? 
ATOM   898  N  N   . ASN A 1 123 ? 9.038   -16.334 11.403  1.000 14.223 0 123 ASN A N   1 ? 
ATOM   899  C  CA  . ASN A 1 123 ? 10.202  -15.904 12.161  1.000 15.081 0 123 ASN A CA  1 ? 
ATOM   900  C  C   . ASN A 1 123 ? 10.588  -16.976 13.169  1.000 15.870 0 123 ASN A C   1 ? 
ATOM   901  O  O   . ASN A 1 123 ? 9.719   -17.592 13.780  1.000 15.228 0 123 ASN A O   1 ? 
ATOM   902  C  CB  . ASN A 1 123 ? 9.865   -14.589 12.849  1.000 17.546 0 123 ASN A CB  1 ? 
ATOM   903  C  CG  . ASN A 1 123 ? 11.052  -13.876 13.446  1.000 18.994 0 123 ASN A CG  1 ? 
ATOM   904  O  OD1 . ASN A 1 123 ? 12.181  -14.282 13.254  1.000 20.797 0 123 ASN A OD1 1 ? 
ATOM   905  N  ND2 . ASN A 1 123 ? 10.784  -12.841 14.223  1.000 22.697 0 123 ASN A ND2 1 ? 
ATOM   906  N  N   . THR A 1 124 ? 11.900  -17.221 13.278  1.000 16.323 0 124 THR A N   1 ? 
ATOM   907  C  CA  . THR A 1 124 ? 12.417  -18.240 14.175  1.000 17.464 0 124 THR A CA  1 ? 
ATOM   908  C  C   . THR A 1 124 ? 13.026  -17.627 15.455  1.000 22.403 0 124 THR A C   1 ? 
ATOM   909  O  O   . THR A 1 124 ? 13.566  -18.374 16.262  1.000 20.542 0 124 THR A O   1 ? 
ATOM   910  C  CB  . THR A 1 124 ? 13.491  -19.098 13.481  1.000 18.898 0 124 THR A CB  1 ? 
ATOM   911  O  OG1 . THR A 1 124 ? 14.575  -18.227 13.189  1.000 21.113 0 124 THR A OG1 1 ? 
ATOM   912  C  CG2 . THR A 1 124 ? 13.057  -19.789 12.201  1.000 19.713 0 124 THR A CG2 1 ? 
ATOM   913  N  N   . LYS A 1 125 ? 12.966  -16.303 15.662  1.000 22.685 0 125 LYS A N   1 ? 
ATOM   914  C  CA  . LYS A 1 125 ? 13.510  -15.700 16.886  1.000 28.392 0 125 LYS A CA  1 ? 
ATOM   915  C  C   . LYS A 1 125 ? 12.408  -15.039 17.720  1.000 27.780 0 125 LYS A C   1 ? 
ATOM   916  O  O   . LYS A 1 125 ? 11.453  -14.522 17.173  1.000 28.649 0 125 LYS A O   1 ? 
ATOM   917  C  CB  . LYS A 1 125 ? 14.618  -14.710 16.512  1.000 30.998 0 125 LYS A CB  1 ? 
ATOM   918  C  CG  . LYS A 1 125 ? 15.852  -15.335 15.869  1.000 34.957 0 125 LYS A CG  1 ? 
ATOM   919  C  CD  . LYS A 1 125 ? 16.933  -14.288 15.613  1.000 43.358 0 125 LYS A CD  1 ? 
ATOM   920  C  CE  . LYS A 1 125 ? 18.207  -14.815 14.976  1.000 47.503 0 125 LYS A CE  1 ? 
ATOM   921  N  NZ  . LYS A 1 125 ? 18.724  -16.035 15.642  1.000 52.926 0 125 LYS A NZ  1 ? 
ATOM   922  N  N   . SER A 1 126 ? 12.537  -15.060 19.060  1.000 34.068 0 126 SER A N   1 ? 
ATOM   923  C  CA  . SER A 1 126 ? 11.605  -14.391 19.974  1.000 35.592 0 126 SER A CA  1 ? 
ATOM   924  C  C   . SER A 1 126 ? 11.935  -12.909 20.136  1.000 40.219 0 126 SER A C   1 ? 
ATOM   925  O  O   . SER A 1 126 ? 11.085  -12.101 20.555  1.000 40.594 0 126 SER A O   1 ? 
ATOM   926  C  CB  . SER A 1 126 ? 11.590  -15.063 21.328  1.000 38.875 0 126 SER A CB  1 ? 
ATOM   927  O  OG  . SER A 1 126 ? 12.908  -15.268 21.820  1.000 36.057 0 126 SER A OG  1 ? 
ATOM   928  N  N   . SER A 1 127 ? 13.198  -12.589 19.832  1.000 41.014 0 127 SER A N   1 ? 
ATOM   929  C  CA  . SER A 1 127 ? 13.714  -11.230 19.828  1.000 44.551 0 127 SER A CA  1 ? 
ATOM   930  C  C   . SER A 1 127 ? 14.630  -11.113 18.613  1.000 43.352 0 127 SER A C   1 ? 
ATOM   931  O  O   . SER A 1 127 ? 15.547  -11.915 18.455  1.000 46.499 0 127 SER A O   1 ? 
ATOM   932  C  CB  . SER A 1 127 ? 14.443  -10.928 21.122  1.000 47.827 0 127 SER A CB  1 ? 
ATOM   933  O  OG  . SER A 1 127 ? 13.955  -9.728  21.711  1.000 51.316 0 127 SER A OG  1 ? 
ATOM   934  N  N   . GLY A 1 128 ? 14.336  -10.167 17.724  1.000 40.166 0 128 GLY A N   1 ? 
ATOM   935  C  CA  . GLY A 1 128 ? 15.056  -10.083 16.468  1.000 39.532 0 128 GLY A CA  1 ? 
ATOM   936  C  C   . GLY A 1 128 ? 14.317  -10.844 15.371  1.000 38.705 0 128 GLY A C   1 ? 
ATOM   937  O  O   . GLY A 1 128 ? 13.209  -11.341 15.587  1.000 33.704 0 128 GLY A O   1 ? 
ATOM   938  N  N   . THR A 1 129 ? 14.955  -10.923 14.203  1.000 33.796 0 129 THR A N   1 ? 
ATOM   939  C  CA  . THR A 1 129 ? 14.292  -11.352 12.987  1.000 34.001 0 129 THR A CA  1 ? 
ATOM   940  C  C   . THR A 1 129 ? 15.205  -12.286 12.204  1.000 31.671 0 129 THR A C   1 ? 
ATOM   941  O  O   . THR A 1 129 ? 16.318  -11.913 11.813  1.000 27.688 0 129 THR A O   1 ? 
ATOM   942  C  CB  . THR A 1 129 ? 13.878  -10.145 12.140  1.000 38.556 0 129 THR A CB  1 ? 
ATOM   943  O  OG1 . THR A 1 129 ? 13.058  -9.351  12.992  1.000 44.361 0 129 THR A OG1 1 ? 
ATOM   944  C  CG2 . THR A 1 129 ? 13.103  -10.524 10.898  1.000 40.565 0 129 THR A CG2 1 ? 
ATOM   945  N  N   . SER A 1 130 ? 14.723  -13.522 12.003  1.000 24.534 0 130 SER A N   1 ? 
ATOM   946  C  CA  . SER A 1 130 ? 15.421  -14.459 11.150  1.000 25.084 0 130 SER A CA  1 ? 
ATOM   947  C  C   . SER A 1 130 ? 14.412  -15.394 10.510  1.000 23.877 0 130 SER A C   1 ? 
ATOM   948  O  O   . SER A 1 130 ? 13.771  -16.151 11.222  1.000 24.165 0 130 SER A O   1 ? 
ATOM   949  C  CB  . SER A 1 130 ? 16.455  -15.257 11.877  1.000 27.791 0 130 SER A CB  1 ? 
ATOM   950  O  OG  . SER A 1 130 ? 17.181  -16.025 10.924  1.000 29.585 0 130 SER A OG  1 ? 
ATOM   951  N  N   . TYR A 1 131 ? 14.243  -15.264 9.200   1.000 21.223 0 131 TYR A N   1 ? 
ATOM   952  C  CA  . TYR A 1 131 ? 13.248  -16.062 8.504   1.000 20.983 0 131 TYR A CA  1 ? 
ATOM   953  C  C   . TYR A 1 131 ? 13.929  -17.242 7.849   1.000 23.116 0 131 TYR A C   1 ? 
ATOM   954  O  O   . TYR A 1 131 ? 14.963  -17.084 7.195   1.000 24.515 0 131 TYR A O   1 ? 
ATOM   955  C  CB  . TYR A 1 131 ? 12.471  -15.235 7.481   1.000 23.537 0 131 TYR A CB  1 ? 
ATOM   956  C  CG  . TYR A 1 131 ? 11.488  -14.310 8.149   1.000 25.766 0 131 TYR A CG  1 ? 
ATOM   957  C  CD1 . TYR A 1 131 ? 11.875  -13.073 8.651   1.000 26.486 0 131 TYR A CD1 1 ? 
ATOM   958  C  CD2 . TYR A 1 131 ? 10.188  -14.722 8.387   1.000 26.614 0 131 TYR A CD2 1 ? 
ATOM   959  C  CE1 . TYR A 1 131 ? 10.974  -12.236 9.286   1.000 29.309 0 131 TYR A CE1 1 ? 
ATOM   960  C  CE2 . TYR A 1 131 ? 9.282   -13.897 9.034   1.000 26.388 0 131 TYR A CE2 1 ? 
ATOM   961  C  CZ  . TYR A 1 131 ? 9.675   -12.660 9.497   1.000 31.060 0 131 TYR A CZ  1 ? 
ATOM   962  O  OH  . TYR A 1 131 ? 8.780   -11.847 10.128  1.000 35.194 0 131 TYR A OH  1 ? 
ATOM   963  N  N   . PRO A 1 132 ? 13.355  -18.454 7.965   1.000 19.173 0 132 PRO A N   1 ? 
ATOM   964  C  CA  . PRO A 1 132 ? 13.988  -19.641 7.391   1.000 16.902 0 132 PRO A CA  1 ? 
ATOM   965  C  C   . PRO A 1 132 ? 13.541  -19.775 5.949   1.000 18.793 0 132 PRO A C   1 ? 
ATOM   966  O  O   . PRO A 1 132 ? 12.514  -19.268 5.542   1.000 22.655 0 132 PRO A O   1 ? 
ATOM   967  C  CB  . PRO A 1 132 ? 13.437  -20.748 8.281   1.000 18.133 0 132 PRO A CB  1 ? 
ATOM   968  C  CG  . PRO A 1 132 ? 11.996  -20.273 8.571   1.000 18.545 0 132 PRO A CG  1 ? 
ATOM   969  C  CD  . PRO A 1 132 ? 12.129  -18.778 8.730   1.000 18.534 0 132 PRO A CD  1 ? 
ATOM   970  N  N   . ASP A 1 133 ? 14.298  -20.503 5.171   1.000 20.722 0 133 ASP A N   1 ? 
ATOM   971  C  CA  . ASP A 1 133 ? 13.820  -20.773 3.839   1.000 20.784 0 133 ASP A CA  1 ? 
ATOM   972  C  C   . ASP A 1 133 ? 13.080  -22.109 3.801   1.000 18.771 0 133 ASP A C   1 ? 
ATOM   973  O  O   . ASP A 1 133 ? 12.239  -22.285 2.930   1.000 18.818 0 133 ASP A O   1 ? 
ATOM   974  C  CB  . ASP A 1 133 ? 14.939  -20.674 2.808   1.000 22.942 0 133 ASP A CB  1 ? 
ATOM   975  C  CG  . ASP A 1 133 ? 16.173  -21.508 3.101   1.000 28.536 0 133 ASP A CG  1 ? 
ATOM   976  O  OD1 . ASP A 1 133 ? 16.213  -22.143 4.182   1.000 32.694 0 133 ASP A OD1 1 ? 
ATOM   977  O  OD2 . ASP A 1 133 ? 17.097  -21.512 2.240   1.000 34.700 0 133 ASP A OD2 1 ? 
ATOM   978  N  N   . VAL A 1 134 ? 13.402  -23.044 4.711   1.000 16.589 0 134 VAL A N   1 ? 
ATOM   979  C  CA  . VAL A 1 134 ? 12.753  -24.340 4.718   1.000 16.628 0 134 VAL A CA  1 ? 
ATOM   980  C  C   . VAL A 1 134 ? 11.705  -24.395 5.829   1.000 13.953 0 134 VAL A C   1 ? 
ATOM   981  O  O   . VAL A 1 134 ? 11.756  -23.651 6.808   1.000 14.690 0 134 VAL A O   1 ? 
ATOM   982  C  CB  . VAL A 1 134 ? 13.743  -25.501 4.860   1.000 18.830 0 134 VAL A CB  1 ? 
ATOM   983  C  CG1 . VAL A 1 134 ? 14.695  -25.576 3.669   1.000 19.921 0 134 VAL A CG1 1 ? 
ATOM   984  C  CG2 . VAL A 1 134 ? 14.500  -25.388 6.184   1.000 20.615 0 134 VAL A CG2 1 ? 
ATOM   985  N  N   . LEU A 1 135 ? 10.762  -25.328 5.658   1.000 14.287 0 135 LEU A N   1 ? 
ATOM   986  C  CA  . LEU A 1 135 ? 9.616   -25.428 6.541   1.000 12.687 0 135 LEU A CA  1 ? 
ATOM   987  C  C   . LEU A 1 135 ? 10.020  -25.928 7.928   1.000 13.071 0 135 LEU A C   1 ? 
ATOM   988  O  O   . LEU A 1 135 ? 10.766  -26.888 8.050   1.000 14.797 0 135 LEU A O   1 ? 
ATOM   989  C  CB  . LEU A 1 135 ? 8.590   -26.365 5.901   1.000 13.590 0 135 LEU A CB  1 ? 
ATOM   990  C  CG  . LEU A 1 135 ? 7.259   -26.481 6.630   1.000 13.270 0 135 LEU A CG  1 ? 
ATOM   991  C  CD1 . LEU A 1 135 ? 6.572   -25.141 6.600   1.000 13.996 0 135 LEU A CD1 1 ? 
ATOM   992  C  CD2 . LEU A 1 135 ? 6.410   -27.561 5.980   1.000 13.712 0 135 LEU A CD2 1 ? 
ATOM   993  N  N   . LYS A 1 136 ? 9.588   -25.204 8.963   1.000 11.994 0 136 LYS A N   1 ? 
ATOM   994  C  CA  . LYS A 1 136 ? 9.821   -25.577 10.344  1.000 12.248 0 136 LYS A CA  1 ? 
ATOM   995  C  C   . LYS A 1 136 ? 8.556   -26.108 10.996  1.000 11.807 0 136 LYS A C   1 ? 
ATOM   996  O  O   . LYS A 1 136 ? 7.438   -25.763 10.635  1.000 11.123 0 136 LYS A O   1 ? 
ATOM   997  C  CB  . LYS A 1 136 ? 10.301  -24.346 11.098  1.000 12.765 0 136 LYS A CB  1 ? 
ATOM   998  C  CG  . LYS A 1 136 ? 11.592  -23.722 10.603  1.000 16.518 0 136 LYS A CG  1 ? 
ATOM   999  C  CD  . LYS A 1 136 ? 12.774  -24.637 10.747  1.000 19.222 0 136 LYS A CD  1 ? 
ATOM   1000 C  CE  . LYS A 1 136 ? 14.047  -23.952 10.299  1.000 23.846 0 136 LYS A CE  1 ? 
ATOM   1001 N  NZ  . LYS A 1 136 ? 15.211  -24.748 10.760  1.000 26.820 0 136 LYS A NZ  1 ? 
ATOM   1002 N  N   . CYS A 1 137 ? 8.757   -26.947 12.013  1.000 11.310 0 137 CYS A N   1 ? 
ATOM   1003 C  CA  . CYS A 1 137 ? 7.705   -27.683 12.691  1.000 12.922 0 137 CYS A CA  1 ? 
ATOM   1004 C  C   . CYS A 1 137 ? 7.903   -27.528 14.192  1.000 14.177 0 137 CYS A C   1 ? 
ATOM   1005 O  O   . CYS A 1 137 ? 9.013   -27.269 14.654  1.000 14.603 0 137 CYS A O   1 ? 
ATOM   1006 C  CB  . CYS A 1 137 ? 7.794   -29.162 12.362  1.000 12.934 0 137 CYS A CB  1 ? 
ATOM   1007 S  SG  . CYS A 1 137 ? 7.079   -29.688 10.800  1.000 14.547 0 137 CYS A SG  1 ? 
ATOM   1008 N  N   . LEU A 1 138 ? 6.791   -27.641 14.920  1.000 13.458 0 138 LEU A N   1 ? 
ATOM   1009 C  CA  . LEU A 1 138 ? 6.828   -27.586 16.353  1.000 14.389 0 138 LEU A CA  1 ? 
ATOM   1010 C  C   . LEU A 1 138 ? 5.739   -28.520 16.852  1.000 14.757 0 138 LEU A C   1 ? 
ATOM   1011 O  O   . LEU A 1 138 ? 4.609   -28.456 16.381  1.000 12.885 0 138 LEU A O   1 ? 
ATOM   1012 C  CB  . LEU A 1 138 ? 6.550   -26.146 16.781  1.000 16.612 0 138 LEU A CB  1 ? 
ATOM   1013 C  CG  . LEU A 1 138 ? 6.366   -25.927 18.277  1.000 19.628 0 138 LEU A CG  1 ? 
ATOM   1014 C  CD1 . LEU A 1 138 ? 7.675   -26.165 19.003  1.000 22.858 0 138 LEU A CD1 1 ? 
ATOM   1015 C  CD2 . LEU A 1 138 ? 5.850   -24.525 18.533  1.000 20.485 0 138 LEU A CD2 1 ? 
ATOM   1016 N  N   . LYS A 1 139 ? 6.069   -29.340 17.874  1.000 13.890 0 139 LYS A N   1 ? 
ATOM   1017 C  CA  . LYS A 1 139 ? 5.014   -30.024 18.588  1.000 17.234 0 139 LYS A CA  1 ? 
ATOM   1018 C  C   . LYS A 1 139 ? 4.667   -29.248 19.840  1.000 15.395 0 139 LYS A C   1 ? 
ATOM   1019 O  O   . LYS A 1 139 ? 5.529   -28.832 20.619  1.000 16.254 0 139 LYS A O   1 ? 
ATOM   1020 C  CB  . LYS A 1 139 ? 5.448   -31.452 18.898  1.000 19.596 0 139 LYS A CB  1 ? 
ATOM   1021 C  CG  . LYS A 1 139 ? 5.575   -32.305 17.652  1.000 22.179 0 139 LYS A CG  1 ? 
ATOM   1022 C  CD  . LYS A 1 139 ? 6.045   -33.653 18.036  1.000 25.227 0 139 LYS A CD  1 ? 
ATOM   1023 C  CE  . LYS A 1 139 ? 5.981   -34.639 16.895  1.000 28.063 0 139 LYS A CE  1 ? 
ATOM   1024 N  NZ  . LYS A 1 139 ? 6.298   -35.980 17.420  1.000 28.440 0 139 LYS A NZ  1 ? 
ATOM   1025 N  N   . ALA A 1 140 ? 3.364   -29.111 20.058  1.000 15.931 0 140 ALA A N   1 ? 
ATOM   1026 C  CA  . ALA A 1 140 ? 2.922   -28.303 21.169  1.000 16.491 0 140 ALA A CA  1 ? 
ATOM   1027 C  C   . ALA A 1 140 ? 1.615   -28.858 21.676  1.000 16.238 0 140 ALA A C   1 ? 
ATOM   1028 O  O   . ALA A 1 140 ? 0.769   -29.250 20.876  1.000 17.369 0 140 ALA A O   1 ? 
ATOM   1029 C  CB  . ALA A 1 140 ? 2.740   -26.858 20.779  1.000 18.738 0 140 ALA A CB  1 ? 
ATOM   1030 N  N   . PRO A 1 141 ? 1.403   -28.844 23.000  1.000 16.180 0 141 PRO A N   1 ? 
ATOM   1031 C  CA  . PRO A 1 141 ? 0.127   -29.289 23.535  1.000 17.042 0 141 PRO A CA  1 ? 
ATOM   1032 C  C   . PRO A 1 141 ? -0.932  -28.203 23.537  1.000 16.592 0 141 PRO A C   1 ? 
ATOM   1033 O  O   . PRO A 1 141 ? -0.645  -27.026 23.720  1.000 17.064 0 141 PRO A O   1 ? 
ATOM   1034 C  CB  . PRO A 1 141 ? 0.471   -29.626 24.996  1.000 17.284 0 141 PRO A CB  1 ? 
ATOM   1035 C  CG  . PRO A 1 141 ? 1.567   -28.709 25.336  1.000 17.706 0 141 PRO A CG  1 ? 
ATOM   1036 C  CD  . PRO A 1 141 ? 2.383   -28.554 24.056  1.000 16.586 0 141 PRO A CD  1 ? 
ATOM   1037 N  N   . ILE A 1 142 ? -2.192  -28.636 23.438  1.000 16.355 0 142 ILE A N   1 ? 
ATOM   1038 C  CA  . ILE A 1 142 ? -3.294  -27.734 23.697  1.000 15.857 0 142 ILE A CA  1 ? 
ATOM   1039 C  C   . ILE A 1 142 ? -3.382  -27.501 25.199  1.000 16.668 0 142 ILE A C   1 ? 
ATOM   1040 O  O   . ILE A 1 142 ? -3.297  -28.471 25.986  1.000 17.668 0 142 ILE A O   1 ? 
ATOM   1041 C  CB  . ILE A 1 142 ? -4.591  -28.330 23.139  1.000 15.989 0 142 ILE A CB  1 ? 
ATOM   1042 C  CG1 . ILE A 1 142 ? -4.557  -28.452 21.614  1.000 17.038 0 142 ILE A CG1 1 ? 
ATOM   1043 C  CG2 . ILE A 1 142 ? -5.782  -27.507 23.610  1.000 16.468 0 142 ILE A CG2 1 ? 
ATOM   1044 C  CD1 . ILE A 1 142 ? -5.753  -29.187 21.033  1.000 18.695 0 142 ILE A CD1 1 ? 
ATOM   1045 N  N   . LEU A 1 143 ? -3.565  -26.232 25.568  1.000 18.491 0 143 LEU A N   1 ? 
ATOM   1046 C  CA  . LEU A 1 143 ? -3.646  -25.811 26.953  1.000 19.217 0 143 LEU A CA  1 ? 
ATOM   1047 C  C   . LEU A 1 143 ? -5.101  -25.822 27.408  1.000 19.493 0 143 LEU A C   1 ? 
ATOM   1048 O  O   . LEU A 1 143 ? -6.020  -25.748 26.609  1.000 20.174 0 143 LEU A O   1 ? 
ATOM   1049 C  CB  . LEU A 1 143 ? -2.962  -24.449 27.103  1.000 20.327 0 143 LEU A CB  1 ? 
ATOM   1050 C  CG  . LEU A 1 143 ? -1.472  -24.452 26.774  1.000 22.158 0 143 LEU A CG  1 ? 
ATOM   1051 C  CD1 . LEU A 1 143 ? -0.877  -23.059 26.855  1.000 22.246 0 143 LEU A CD1 1 ? 
ATOM   1052 C  CD2 . LEU A 1 143 ? -0.722  -25.398 27.677  1.000 27.231 0 143 LEU A CD2 1 ? 
ATOM   1053 N  N   . SER A 1 144 ? -5.305  -25.941 28.738  1.000 19.691 0 144 SER A N   1 ? 
ATOM   1054 C  CA  . SER A 1 144 ? -6.646  -25.913 29.275  1.000 23.204 0 144 SER A CA  1 ? 
ATOM   1055 C  C   . SER A 1 144 ? -7.206  -24.531 29.001  1.000 21.081 0 144 SER A C   1 ? 
ATOM   1056 O  O   . SER A 1 144 ? -6.456  -23.561 28.969  1.000 23.119 0 144 SER A O   1 ? 
ATOM   1057 C  CB  . SER A 1 144 ? -6.624  -26.207 30.774  1.000 24.913 0 144 SER A CB  1 ? 
ATOM   1058 O  OG  . SER A 1 144 ? -5.953  -25.165 31.461  1.000 28.372 0 144 SER A OG  1 ? 
ATOM   1059 N  N   . ASP A 1 145 ? -8.517  -24.437 28.878  1.000 23.836 0 145 ASP A N   1 ? 
ATOM   1060 C  CA  . ASP A 1 145 ? -9.159  -23.156 28.650  1.000 29.314 0 145 ASP A CA  1 ? 
ATOM   1061 C  C   . ASP A 1 145 ? -8.879  -22.194 29.797  1.000 28.779 0 145 ASP A C   1 ? 
ATOM   1062 O  O   . ASP A 1 145 ? -8.742  -21.000 29.578  1.000 29.047 0 145 ASP A O   1 ? 
ATOM   1063 C  CB  . ASP A 1 145 ? -10.661 -23.319 28.451  1.000 35.847 0 145 ASP A CB  1 ? 
ATOM   1064 C  CG  . ASP A 1 145 ? -10.992 -23.899 27.086  1.000 41.614 0 145 ASP A CG  1 ? 
ATOM   1065 O  OD1 . ASP A 1 145 ? -10.168 -23.733 26.137  1.000 40.602 0 145 ASP A OD1 1 ? 
ATOM   1066 O  OD2 . ASP A 1 145 ? -12.053 -24.529 26.988  1.000 50.108 0 145 ASP A OD2 1 ? 
ATOM   1067 N  N   . SER A 1 146 ? -8.750  -22.709 31.015  1.000 27.495 0 146 SER A N   1 ? 
ATOM   1068 C  CA  . SER A 1 146 ? -8.559  -21.826 32.148  1.000 29.367 0 146 SER A CA  1 ? 
ATOM   1069 C  C   . SER A 1 146 ? -7.150  -21.217 32.141  1.000 25.244 0 146 SER A C   1 ? 
ATOM   1070 O  O   . SER A 1 146 ? -6.993  -20.025 32.390  1.000 24.111 0 146 SER A O   1 ? 
ATOM   1071 C  CB  . SER A 1 146 ? -8.892  -22.544 33.437  1.000 33.207 0 146 SER A CB  1 ? 
ATOM   1072 O  OG  . SER A 1 146 ? -7.809  -23.361 33.822  1.000 39.206 0 146 SER A OG  1 ? 
ATOM   1073 N  N   . SER A 1 147 ? -6.125  -21.977 31.726  1.000 24.763 0 147 SER A N   1 ? 
ATOM   1074 C  CA  . SER A 1 147 ? -4.795  -21.410 31.601  1.000 24.323 0 147 SER A CA  1 ? 
ATOM   1075 C  C   . SER A 1 147 ? -4.711  -20.434 30.415  1.000 24.008 0 147 SER A C   1 ? 
ATOM   1076 O  O   . SER A 1 147 ? -3.959  -19.446 30.456  1.000 21.825 0 147 SER A O   1 ? 
ATOM   1077 C  CB  . SER A 1 147 ? -3.745  -22.493 31.550  1.000 29.233 0 147 SER A CB  1 ? 
ATOM   1078 O  OG  . SER A 1 147 ? -4.056  -23.445 30.555  1.000 39.300 0 147 SER A OG  1 ? 
ATOM   1079 N  N   . CYS A 1 148 ? -5.466  -20.729 29.355  1.000 20.028 0 148 CYS A N   1 ? 
ATOM   1080 C  CA  . CYS A 1 148 ? -5.595  -19.835 28.200  1.000 19.178 0 148 CYS A CA  1 ? 
ATOM   1081 C  C   . CYS A 1 148 ? -6.201  -18.478 28.602  1.000 21.125 0 148 CYS A C   1 ? 
ATOM   1082 O  O   . CYS A 1 148 ? -5.657  -17.421 28.261  1.000 18.924 0 148 CYS A O   1 ? 
ATOM   1083 C  CB  . CYS A 1 148 ? -6.412  -20.517 27.094  1.000 18.957 0 148 CYS A CB  1 ? 
ATOM   1084 S  SG  . CYS A 1 148 ? -6.293  -19.693 25.487  1.000 17.483 0 148 CYS A SG  1 ? 
ATOM   1085 N  N   . LYS A 1 149 ? -7.372  -18.493 29.259  1.000 23.599 0 149 LYS A N   1 ? 
ATOM   1086 C  CA  . LYS A 1 149 ? -8.051  -17.279 29.688  1.000 26.552 0 149 LYS A CA  1 ? 
ATOM   1087 C  C   . LYS A 1 149 ? -7.220  -16.533 30.726  1.000 25.840 0 149 LYS A C   1 ? 
ATOM   1088 O  O   . LYS A 1 149 ? -7.276  -15.316 30.763  1.000 26.751 0 149 LYS A O   1 ? 
ATOM   1089 C  CB  . LYS A 1 149 ? -9.448  -17.629 30.208  1.000 28.965 0 149 LYS A CB  1 ? 
ATOM   1090 C  CG  . LYS A 1 149 ? -10.391 -18.093 29.108  1.000 33.319 0 149 LYS A CG  1 ? 
ATOM   1091 C  CD  . LYS A 1 149 ? -11.729 -18.580 29.583  1.000 40.529 0 149 LYS A CD  1 ? 
ATOM   1092 C  CE  . LYS A 1 149 ? -12.680 -18.815 28.428  1.000 46.198 0 149 LYS A CE  1 ? 
ATOM   1093 N  NZ  . LYS A 1 149 ? -13.852 -19.628 28.832  1.000 51.863 0 149 LYS A NZ  1 ? 
ATOM   1094 N  N   . SER A 1 150 ? -6.437  -17.258 31.539  1.000 27.298 0 150 SER A N   1 ? 
ATOM   1095 C  CA  . SER A 1 150 ? -5.560  -16.616 32.514  1.000 27.061 0 150 SER A CA  1 ? 
ATOM   1096 C  C   . SER A 1 150 ? -4.451  -15.845 31.823  1.000 26.857 0 150 SER A C   1 ? 
ATOM   1097 O  O   . SER A 1 150 ? -4.056  -14.788 32.303  1.000 26.552 0 150 SER A O   1 ? 
ATOM   1098 C  CB  . SER A 1 150 ? -4.964  -17.582 33.493  1.000 30.784 0 150 SER A CB  1 ? 
ATOM   1099 O  OG  . SER A 1 150 ? -5.907  -17.899 34.500  1.000 38.330 0 150 SER A OG  1 ? 
ATOM   1100 N  N   . ALA A 1 151 ? -3.965  -16.371 30.687  1.000 23.661 0 151 ALA A N   1 ? 
ATOM   1101 C  CA  . ALA A 1 151 ? -2.836  -15.772 29.991  1.000 20.795 0 151 ALA A CA  1 ? 
ATOM   1102 C  C   . ALA A 1 151 ? -3.244  -14.480 29.286  1.000 20.320 0 151 ALA A C   1 ? 
ATOM   1103 O  O   . ALA A 1 151 ? -2.423  -13.574 29.135  1.000 23.269 0 151 ALA A O   1 ? 
ATOM   1104 C  CB  . ALA A 1 151 ? -2.261  -16.752 28.986  1.000 22.742 0 151 ALA A CB  1 ? 
ATOM   1105 N  N   . TYR A 1 152 ? -4.489  -14.458 28.782  1.000 19.204 0 152 TYR A N   1 ? 
ATOM   1106 C  CA  . TYR A 1 152 ? -5.013  -13.367 27.972  1.000 18.452 0 152 TYR A CA  1 ? 
ATOM   1107 C  C   . TYR A 1 152 ? -6.387  -12.947 28.462  1.000 20.098 0 152 TYR A C   1 ? 
ATOM   1108 O  O   . TYR A 1 152 ? -7.412  -13.209 27.828  1.000 18.760 0 152 TYR A O   1 ? 
ATOM   1109 C  CB  . TYR A 1 152 ? -5.146  -13.832 26.544  1.000 16.933 0 152 TYR A CB  1 ? 
ATOM   1110 C  CG  . TYR A 1 152 ? -3.830  -14.134 25.917  1.000 17.718 0 152 TYR A CG  1 ? 
ATOM   1111 C  CD1 . TYR A 1 152 ? -2.990  -13.119 25.505  1.000 18.326 0 152 TYR A CD1 1 ? 
ATOM   1112 C  CD2 . TYR A 1 152 ? -3.451  -15.438 25.662  1.000 18.082 0 152 TYR A CD2 1 ? 
ATOM   1113 C  CE1 . TYR A 1 152 ? -1.782  -13.398 24.878  1.000 17.623 0 152 TYR A CE1 1 ? 
ATOM   1114 C  CE2 . TYR A 1 152 ? -2.276  -15.725 24.989  1.000 16.838 0 152 TYR A CE2 1 ? 
ATOM   1115 C  CZ  . TYR A 1 152 ? -1.456  -14.703 24.563  1.000 17.325 0 152 TYR A CZ  1 ? 
ATOM   1116 O  OH  . TYR A 1 152 ? -0.257  -14.917 23.928  1.000 17.484 0 152 TYR A OH  1 ? 
ATOM   1117 N  N   . PRO A 1 153 ? -6.427  -12.345 29.669  1.000 21.439 0 153 PRO A N   1 ? 
ATOM   1118 C  CA  . PRO A 1 153 ? -7.686  -12.035 30.317  1.000 22.498 0 153 PRO A CA  1 ? 
ATOM   1119 C  C   . PRO A 1 153 ? -8.545  -11.146 29.436  1.000 21.460 0 153 PRO A C   1 ? 
ATOM   1120 O  O   . PRO A 1 153 ? -8.077  -10.162 28.878  1.000 24.898 0 153 PRO A O   1 ? 
ATOM   1121 C  CB  . PRO A 1 153 ? -7.309  -11.330 31.628  1.000 25.140 0 153 PRO A CB  1 ? 
ATOM   1122 C  CG  . PRO A 1 153 ? -5.822  -11.545 31.811  1.000 24.110 0 153 PRO A CG  1 ? 
ATOM   1123 C  CD  . PRO A 1 153 ? -5.254  -12.013 30.484  1.000 22.484 0 153 PRO A CD  1 ? 
ATOM   1124 N  N   . GLY A 1 154 ? -9.798  -11.555 29.294  1.000 22.196 0 154 GLY A N   1 ? 
ATOM   1125 C  CA  . GLY A 1 154 ? -10.770 -10.794 28.534  1.000 24.414 0 154 GLY A CA  1 ? 
ATOM   1126 C  C   . GLY A 1 154 ? -10.615 -10.895 27.011  1.000 24.301 0 154 GLY A C   1 ? 
ATOM   1127 O  O   . GLY A 1 154 ? -11.334 -10.183 26.309  1.000 27.342 0 154 GLY A O   1 ? 
ATOM   1128 N  N   . GLN A 1 155 ? -9.707  -11.734 26.483  1.000 21.910 0 155 GLN A N   1 ? 
ATOM   1129 C  CA  . GLN A 1 155 ? -9.441  -11.705 25.045  1.000 20.979 0 155 GLN A CA  1 ? 
ATOM   1130 C  C   . GLN A 1 155 ? -9.746  -13.036 24.355  1.000 20.169 0 155 GLN A C   1 ? 
ATOM   1131 O  O   . GLN A 1 155 ? -9.689  -13.131 23.126  1.000 20.893 0 155 GLN A O   1 ? 
ATOM   1132 C  CB  . GLN A 1 155 ? -7.994  -11.298 24.821  1.000 22.606 0 155 GLN A CB  1 ? 
ATOM   1133 C  CG  . GLN A 1 155 ? -7.678  -9.915  25.393  1.000 26.009 0 155 GLN A CG  1 ? 
ATOM   1134 C  CD  . GLN A 1 155 ? -6.209  -9.766  25.666  1.000 28.111 0 155 GLN A CD  1 ? 
ATOM   1135 O  OE1 . GLN A 1 155 ? -5.414  -9.687  24.744  1.000 32.001 0 155 GLN A OE1 1 ? 
ATOM   1136 N  NE2 . GLN A 1 155 ? -5.845  -9.694  26.933  1.000 31.951 0 155 GLN A NE2 1 ? 
ATOM   1137 N  N   . ILE A 1 156 ? -10.044 -14.079 25.131  1.000 19.201 0 156 ILE A N   1 ? 
ATOM   1138 C  CA  . ILE A 1 156 ? -10.194 -15.413 24.555  1.000 18.713 0 156 ILE A CA  1 ? 
ATOM   1139 C  C   . ILE A 1 156 ? -11.683 -15.691 24.395  1.000 19.390 0 156 ILE A C   1 ? 
ATOM   1140 O  O   . ILE A 1 156 ? -12.442 -15.623 25.362  1.000 19.694 0 156 ILE A O   1 ? 
ATOM   1141 C  CB  . ILE A 1 156 ? -9.476  -16.478 25.413  1.000 17.576 0 156 ILE A CB  1 ? 
ATOM   1142 C  CG1 . ILE A 1 156 ? -8.001  -16.115 25.592  1.000 18.828 0 156 ILE A CG1 1 ? 
ATOM   1143 C  CG2 . ILE A 1 156 ? -9.669  -17.890 24.863  1.000 20.430 0 156 ILE A CG2 1 ? 
ATOM   1144 C  CD1 . ILE A 1 156 ? -7.181  -16.106 24.316  1.000 18.658 0 156 ILE A CD1 1 ? 
ATOM   1145 N  N   . THR A 1 157 ? -12.104 -15.939 23.152  1.000 16.955 0 157 THR A N   1 ? 
ATOM   1146 C  CA  . THR A 1 157 ? -13.483 -16.333 22.879  1.000 16.586 0 157 THR A CA  1 ? 
ATOM   1147 C  C   . THR A 1 157 ? -13.571 -17.851 22.801  1.000 16.778 0 157 THR A C   1 ? 
ATOM   1148 O  O   . THR A 1 157 ? -12.580 -18.553 22.710  1.000 16.060 0 157 THR A O   1 ? 
ATOM   1149 C  CB  . THR A 1 157 ? -14.004 -15.658 21.605  1.000 18.028 0 157 THR A CB  1 ? 
ATOM   1150 O  OG1 . THR A 1 157 ? -13.333 -16.310 20.534  1.000 17.041 0 157 THR A OG1 1 ? 
ATOM   1151 C  CG2 . THR A 1 157 ? -13.761 -14.164 21.554  1.000 20.459 0 157 THR A CG2 1 ? 
ATOM   1152 N  N   . SER A 1 158 ? -14.790 -18.370 22.657  1.000 16.883 0 158 SER A N   1 ? 
ATOM   1153 C  CA  . SER A 1 158 ? -15.021 -19.780 22.469  1.000 17.991 0 158 SER A CA  1 ? 
ATOM   1154 C  C   . SER A 1 158 ? -14.519 -20.286 21.121  1.000 17.717 0 158 SER A C   1 ? 
ATOM   1155 O  O   . SER A 1 158 ? -14.543 -21.492 20.901  1.000 19.170 0 158 SER A O   1 ? 
ATOM   1156 C  CB  . SER A 1 158 ? -16.500 -20.073 22.632  1.000 22.511 0 158 SER A CB  1 ? 
ATOM   1157 O  OG  . SER A 1 158 ? -17.252 -19.303 21.724  1.000 26.393 0 158 SER A OG  1 ? 
ATOM   1158 N  N   . ASN A 1 159 ? -14.106 -19.370 20.238  1.000 15.347 0 159 ASN A N   1 ? 
ATOM   1159 C  CA  . ASN A 1 159 ? -13.625 -19.748 18.914  1.000 13.712 0 159 ASN A CA  1 ? 
ATOM   1160 C  C   . ASN A 1 159 ? -12.098 -19.755 18.851  1.000 14.315 0 159 ASN A C   1 ? 
ATOM   1161 O  O   . ASN A 1 159 ? -11.536 -19.837 17.758  1.000 12.534 0 159 ASN A O   1 ? 
ATOM   1162 C  CB  . ASN A 1 159 ? -14.122 -18.815 17.845  1.000 15.366 0 159 ASN A CB  1 ? 
ATOM   1163 C  CG  . ASN A 1 159 ? -15.621 -18.849 17.829  1.000 16.637 0 159 ASN A CG  1 ? 
ATOM   1164 O  OD1 . ASN A 1 159 ? -16.194 -19.941 17.789  1.000 18.150 0 159 ASN A OD1 1 ? 
ATOM   1165 N  ND2 . ASN A 1 159 ? -16.209 -17.669 17.946  1.000 15.994 0 159 ASN A ND2 1 ? 
ATOM   1166 N  N   . MET A 1 160 ? -11.468 -19.776 20.016  1.000 13.939 0 160 MET A N   1 ? 
ATOM   1167 C  CA  . MET A 1 160 ? -10.017 -19.715 20.116  1.000 14.447 0 160 MET A CA  1 ? 
ATOM   1168 C  C   . MET A 1 160 ? -9.562  -20.789 21.091  1.000 15.189 0 160 MET A C   1 ? 
ATOM   1169 O  O   . MET A 1 160 ? -10.300 -21.148 21.997  1.000 16.572 0 160 MET A O   1 ? 
ATOM   1170 C  CB  . MET A 1 160 ? -9.543  -18.376 20.665  1.000 14.239 0 160 MET A CB  1 ? 
ATOM   1171 C  CG  . MET A 1 160 ? -9.910  -17.210 19.758  1.000 13.546 0 160 MET A CG  1 ? 
ATOM   1172 S  SD  . MET A 1 160 ? -9.517  -15.713 20.585  1.000 14.700 0 160 MET A SD  1 ? 
ATOM   1173 C  CE  . MET A 1 160 ? -10.307 -14.546 19.473  1.000 17.116 0 160 MET A CE  1 ? 
ATOM   1174 N  N   . PHE A 1 161 ? -8.329  -21.271 20.925  1.000 13.719 0 161 PHE A N   1 ? 
ATOM   1175 C  CA  . PHE A 1 161 ? -7.698  -22.066 21.963  1.000 13.378 0 161 PHE A CA  1 ? 
ATOM   1176 C  C   . PHE A 1 161 ? -6.233  -21.688 22.018  1.000 14.439 0 161 PHE A C   1 ? 
ATOM   1177 O  O   . PHE A 1 161 ? -5.710  -21.144 21.043  1.000 14.424 0 161 PHE A O   1 ? 
ATOM   1178 C  CB  . PHE A 1 161 ? -7.890  -23.574 21.737  1.000 15.347 0 161 PHE A CB  1 ? 
ATOM   1179 C  CG  . PHE A 1 161 ? -7.225  -24.194 20.535  1.000 15.077 0 161 PHE A CG  1 ? 
ATOM   1180 C  CD1 . PHE A 1 161 ? -5.937  -24.688 20.587  1.000 15.729 0 161 PHE A CD1 1 ? 
ATOM   1181 C  CD2 . PHE A 1 161 ? -7.894  -24.247 19.316  1.000 16.616 0 161 PHE A CD2 1 ? 
ATOM   1182 C  CE1 . PHE A 1 161 ? -5.361  -25.277 19.466  1.000 17.032 0 161 PHE A CE1 1 ? 
ATOM   1183 C  CE2 . PHE A 1 161 ? -7.331  -24.874 18.208  1.000 16.538 0 161 PHE A CE2 1 ? 
ATOM   1184 C  CZ  . PHE A 1 161 ? -6.043  -25.373 18.286  1.000 16.145 0 161 PHE A CZ  1 ? 
ATOM   1185 N  N   . CYS A 1 162 ? -5.593  -22.037 23.133  1.000 12.392 0 162 CYS A N   1 ? 
ATOM   1186 C  CA  . CYS A 1 162 ? -4.173  -21.838 23.322  1.000 13.397 0 162 CYS A CA  1 ? 
ATOM   1187 C  C   . CYS A 1 162 ? -3.444  -23.170 23.151  1.000 13.188 0 162 CYS A C   1 ? 
ATOM   1188 O  O   . CYS A 1 162 ? -3.931  -24.213 23.560  1.000 15.037 0 162 CYS A O   1 ? 
ATOM   1189 C  CB  . CYS A 1 162 ? -3.855  -21.262 24.709  1.000 14.037 0 162 CYS A CB  1 ? 
ATOM   1190 S  SG  . CYS A 1 162 ? -4.401  -19.556 24.976  1.000 16.224 0 162 CYS A SG  1 ? 
ATOM   1191 N  N   . ALA A 1 163 ? -2.260  -23.113 22.539  1.000 13.135 0 163 ALA A N   1 ? 
ATOM   1192 C  CA  . ALA A 1 163 ? -1.368  -24.245 22.479  1.000 13.076 0 163 ALA A CA  1 ? 
ATOM   1193 C  C   . ALA A 1 163 ? 0.033   -23.710 22.639  1.000 14.539 0 163 ALA A C   1 ? 
ATOM   1194 O  O   . ALA A 1 163 ? 0.339   -22.627 22.170  1.000 14.833 0 163 ALA A O   1 ? 
ATOM   1195 C  CB  . ALA A 1 163 ? -1.546  -25.008 21.203  1.000 13.725 0 163 ALA A CB  1 ? 
ATOM   1196 N  N   . GLY A 1 164 ? 0.863   -24.439 23.372  1.000 15.532 0 164 GLY A N   1 ? 
ATOM   1197 C  CA  . GLY A 1 164 ? 2.234   -24.002 23.502  1.000 18.001 0 164 GLY A CA  1 ? 
ATOM   1198 C  C   . GLY A 1 164 ? 2.756   -24.346 24.893  1.000 18.481 0 164 GLY A C   1 ? 
ATOM   1199 O  O   . GLY A 1 164 ? 2.320   -25.330 25.492  1.000 19.717 0 164 GLY A O   1 ? 
ATOM   1200 N  N   . TYR A 1 165 ? 3.610   -23.461 25.389  1.000 21.028 0 165 TYR A N   1 ? 
ATOM   1201 C  CA  . TYR A 1 165 ? 4.423   -23.705 26.569  1.000 22.270 0 165 TYR A CA  1 ? 
ATOM   1202 C  C   . TYR A 1 165 ? 4.445   -22.431 27.386  1.000 23.568 0 165 TYR A C   1 ? 
ATOM   1203 O  O   . TYR A 1 165 ? 4.971   -21.435 26.912  1.000 25.814 0 165 TYR A O   1 ? 
ATOM   1204 C  CB  . TYR A 1 165 ? 5.841   -24.069 26.119  1.000 24.235 0 165 TYR A CB  1 ? 
ATOM   1205 C  CG  . TYR A 1 165 ? 5.919   -25.360 25.344  1.000 24.168 0 165 TYR A CG  1 ? 
ATOM   1206 C  CD1 . TYR A 1 165 ? 6.009   -26.586 25.976  1.000 24.390 0 165 TYR A CD1 1 ? 
ATOM   1207 C  CD2 . TYR A 1 165 ? 5.793   -25.365 23.969  1.000 25.032 0 165 TYR A CD2 1 ? 
ATOM   1208 C  CE1 . TYR A 1 165 ? 6.058   -27.769 25.270  1.000 24.915 0 165 TYR A CE1 1 ? 
ATOM   1209 C  CE2 . TYR A 1 165 ? 5.818   -26.543 23.251  1.000 23.635 0 165 TYR A CE2 1 ? 
ATOM   1210 C  CZ  . TYR A 1 165 ? 5.964   -27.750 23.896  1.000 23.338 0 165 TYR A CZ  1 ? 
ATOM   1211 O  OH  . TYR A 1 165 ? 5.999   -28.914 23.153  1.000 22.594 0 165 TYR A OH  1 ? 
ATOM   1212 N  N   . LEU A 1 166 ? 3.879   -22.470 28.591  1.000 25.989 0 166 LEU A N   1 ? 
ATOM   1213 C  CA  . LEU A 1 166 ? 3.812   -21.289 29.431  1.000 27.891 0 166 LEU A CA  1 ? 
ATOM   1214 C  C   . LEU A 1 166 ? 5.207   -20.843 29.856  1.000 28.863 0 166 LEU A C   1 ? 
ATOM   1215 O  O   . LEU A 1 166 ? 5.383   -19.681 30.173  1.000 27.617 0 166 LEU A O   1 ? 
ATOM   1216 C  CB  . LEU A 1 166 ? 2.945   -21.609 30.651  1.000 29.484 0 166 LEU A CB  1 ? 
ATOM   1217 C  CG  . LEU A 1 166 ? 1.481   -21.923 30.351  1.000 29.988 0 166 LEU A CG  1 ? 
ATOM   1218 C  CD1 . LEU A 1 166 ? 0.721   -22.240 31.630  1.000 33.774 0 166 LEU A CD1 1 ? 
ATOM   1219 C  CD2 . LEU A 1 166 ? 0.814   -20.764 29.635  1.000 30.286 0 166 LEU A CD2 1 ? 
ATOM   1220 N  N   . GLU A 1 167 ? 6.181   -21.766 29.896  1.000 27.134 0 167 GLU A N   1 ? 
ATOM   1221 C  CA  . GLU A 1 167 ? 7.557   -21.383 30.189  1.000 29.571 0 167 GLU A CA  1 ? 
ATOM   1222 C  C   . GLU A 1 167 ? 8.140   -20.534 29.061  1.000 29.624 0 167 GLU A C   1 ? 
ATOM   1223 O  O   . GLU A 1 167 ? 9.192   -19.944 29.245  1.000 30.444 0 167 GLU A O   1 ? 
ATOM   1224 C  CB  . GLU A 1 167 ? 8.434   -22.614 30.448  1.000 30.437 0 167 GLU A CB  1 ? 
ATOM   1225 C  CG  . GLU A 1 167 ? 8.424   -23.617 29.305  1.000 34.784 0 167 GLU A CG  1 ? 
ATOM   1226 C  CD  . GLU A 1 167 ? 7.391   -24.739 29.348  1.000 36.663 0 167 GLU A CD  1 ? 
ATOM   1227 O  OE1 . GLU A 1 167 ? 7.752   -25.864 28.930  1.000 41.056 0 167 GLU A OE1 1 ? 
ATOM   1228 O  OE2 . GLU A 1 167 ? 6.232   -24.510 29.780  1.000 32.763 0 167 GLU A OE2 1 ? 
ATOM   1229 N  N   . GLY A 1 168 ? 7.478   -20.490 27.894  1.000 29.140 0 168 GLY A N   1 ? 
ATOM   1230 C  CA  . GLY A 1 168 ? 8.006   -19.793 26.726  1.000 26.167 0 168 GLY A CA  1 ? 
ATOM   1231 C  C   . GLY A 1 168 ? 9.049   -20.628 25.982  1.000 26.388 0 168 GLY A C   1 ? 
ATOM   1232 O  O   . GLY A 1 168 ? 9.231   -21.802 26.260  1.000 28.471 0 168 GLY A O   1 ? 
ATOM   1233 N  N   . GLY A 1 169 ? 9.668   -20.007 24.973  1.000 24.286 0 169 GLY A N   1 ? 
ATOM   1234 C  CA  . GLY A 1 169 ? 10.776  -20.582 24.230  1.000 23.887 0 169 GLY A CA  1 ? 
ATOM   1235 C  C   . GLY A 1 169 ? 10.370  -21.297 22.945  1.000 20.356 0 169 GLY A C   1 ? 
ATOM   1236 O  O   . GLY A 1 169 ? 11.179  -21.408 22.034  1.000 20.840 0 169 GLY A O   1 ? 
ATOM   1237 N  N   . LYS A 1 170 ? 9.133   -21.780 22.881  1.000 18.389 0 170 LYS A N   1 ? 
ATOM   1238 C  CA  . LYS A 1 170 ? 8.646   -22.553 21.752  1.000 18.942 0 170 LYS A CA  1 ? 
ATOM   1239 C  C   . LYS A 1 170 ? 7.267   -22.021 21.372  1.000 17.415 0 170 LYS A C   1 ? 
ATOM   1240 O  O   . LYS A 1 170 ? 6.401   -21.928 22.224  1.000 18.224 0 170 LYS A O   1 ? 
ATOM   1241 C  CB  . LYS A 1 170 ? 8.559   -24.033 22.124  1.000 22.471 0 170 LYS A CB  1 ? 
ATOM   1242 C  CG  . LYS A 1 170 ? 9.915   -24.704 22.299  1.000 27.795 0 170 LYS A CG  1 ? 
ATOM   1243 C  CD  . LYS A 1 170 ? 9.845   -26.020 23.055  1.000 32.419 0 170 LYS A CD  1 ? 
ATOM   1244 C  CE  . LYS A 1 170 ? 9.760   -25.799 24.551  1.000 39.543 0 170 LYS A CE  1 ? 
ATOM   1245 N  NZ  . LYS A 1 170 ? 10.156  -27.006 25.324  1.000 45.408 0 170 LYS A NZ  1 ? 
ATOM   1246 N  N   . ASP A 1 171 ? 7.082   -21.633 20.099  1.000 14.983 0 171 ASP A N   1 ? 
ATOM   1247 C  CA  . ASP A 1 171 ? 5.870   -20.964 19.681  1.000 13.959 0 171 ASP A CA  1 ? 
ATOM   1248 C  C   . ASP A 1 171 ? 5.848   -20.763 18.170  1.000 14.642 0 171 ASP A C   1 ? 
ATOM   1249 O  O   . ASP A 1 171 ? 6.866   -20.845 17.481  1.000 13.740 0 171 ASP A O   1 ? 
ATOM   1250 C  CB  . ASP A 1 171 ? 5.735   -19.603 20.369  1.000 13.507 0 171 ASP A CB  1 ? 
ATOM   1251 C  CG  . ASP A 1 171 ? 4.359   -18.972 20.403  1.000 14.413 0 171 ASP A CG  1 ? 
ATOM   1252 O  OD1 . ASP A 1 171 ? 3.364   -19.610 19.918  1.000 13.674 0 171 ASP A OD1 1 ? 
ATOM   1253 O  OD2 . ASP A 1 171 ? 4.282   -17.846 20.942  1.000 15.897 0 171 ASP A OD2 1 ? 
ATOM   1254 N  N   . SER A 1 172 ? 4.642   -20.515 17.642  1.000 12.758 0 172 SER A N   1 ? 
ATOM   1255 C  CA  . SER A 1 172 ? 4.525   -20.004 16.288  1.000 12.892 0 172 SER A CA  1 ? 
ATOM   1256 C  C   . SER A 1 172 ? 4.825   -18.502 16.344  1.000 14.428 0 172 SER A C   1 ? 
ATOM   1257 O  O   . SER A 1 172 ? 4.983   -17.941 17.429  1.000 14.280 0 172 SER A O   1 ? 
ATOM   1258 C  CB  . SER A 1 172 ? 3.195   -20.388 15.674  1.000 13.288 0 172 SER A CB  1 ? 
ATOM   1259 O  OG  . SER A 1 172 ? 2.131   -19.819 16.398  1.000 13.724 0 172 SER A OG  1 ? 
ATOM   1260 N  N   . CYS A 1 173 ? 4.933   -17.853 15.184  1.000 13.847 0 173 CYS A N   1 ? 
ATOM   1261 C  CA  . CYS A 1 173 ? 5.337   -16.455 15.136  1.000 14.748 0 173 CYS A CA  1 ? 
ATOM   1262 C  C   . CYS A 1 173 ? 4.896   -15.816 13.824  1.000 14.857 0 173 CYS A C   1 ? 
ATOM   1263 O  O   . CYS A 1 173 ? 4.226   -16.455 13.027  1.000 14.037 0 173 CYS A O   1 ? 
ATOM   1264 C  CB  . CYS A 1 173 ? 6.837   -16.410 15.327  1.000 15.874 0 173 CYS A CB  1 ? 
ATOM   1265 S  SG  . CYS A 1 173 ? 7.473   -14.804 15.858  1.000 17.567 0 173 CYS A SG  1 ? 
ATOM   1266 N  N   . GLN A 1 174 ? 5.226   -14.535 13.654  1.000 16.295 0 174 GLN A N   1 ? 
ATOM   1267 C  CA  . GLN A 1 174 ? 4.854   -13.768 12.475  1.000 20.362 0 174 GLN A CA  1 ? 
ATOM   1268 C  C   . GLN A 1 174 ? 5.298   -14.525 11.231  1.000 16.030 0 174 GLN A C   1 ? 
ATOM   1269 O  O   . GLN A 1 174 ? 6.430   -14.963 11.176  1.000 16.591 0 174 GLN A O   1 ? 
ATOM   1270 C  CB  . GLN A 1 174 ? 5.532   -12.391 12.485  1.000 27.151 0 174 GLN A CB  1 ? 
ATOM   1271 C  CG  . GLN A 1 174 ? 4.777   -11.339 11.680  1.000 38.479 0 174 GLN A CG  1 ? 
ATOM   1272 C  CD  . GLN A 1 174 ? 5.087   -11.216 10.198  1.000 52.553 0 174 GLN A CD  1 ? 
ATOM   1273 O  OE1 . GLN A 1 174 ? 5.823   -12.010 9.596   1.000 55.806 0 174 GLN A OE1 1 ? 
ATOM   1274 N  NE2 . GLN A 1 174 ? 4.533   -10.165 9.599   1.000 50.461 0 174 GLN A NE2 1 ? 
ATOM   1275 N  N   . GLY A 1 175 ? 4.422   -14.638 10.236  1.000 12.120 0 175 GLY A N   1 ? 
ATOM   1276 C  CA  . GLY A 1 175 ? 4.745   -15.383 9.029   1.000 12.840 0 175 GLY A CA  1 ? 
ATOM   1277 C  C   . GLY A 1 175 ? 4.242   -16.821 9.073   1.000 12.576 0 175 GLY A C   1 ? 
ATOM   1278 O  O   . GLY A 1 175 ? 4.111   -17.460 8.028   1.000 12.850 0 175 GLY A O   1 ? 
ATOM   1279 N  N   . ASP A 1 176 ? 3.962   -17.342 10.279  1.000 11.064 0 176 ASP A N   1 ? 
ATOM   1280 C  CA  . ASP A 1 176 ? 3.306   -18.645 10.403  1.000 11.231 0 176 ASP A CA  1 ? 
ATOM   1281 C  C   . ASP A 1 176 ? 1.784   -18.515 10.309  1.000 10.290 0 176 ASP A C   1 ? 
ATOM   1282 O  O   . ASP A 1 176 ? 1.100   -19.534 10.181  1.000 10.497 0 176 ASP A O   1 ? 
ATOM   1283 C  CB  . ASP A 1 176 ? 3.622   -19.310 11.743  1.000 10.266 0 176 ASP A CB  1 ? 
ATOM   1284 C  CG  . ASP A 1 176 ? 5.092   -19.671 11.849  1.000 10.917 0 176 ASP A CG  1 ? 
ATOM   1285 O  OD1 . ASP A 1 176 ? 5.620   -20.189 10.820  1.000 11.391 0 176 ASP A OD1 1 ? 
ATOM   1286 O  OD2 . ASP A 1 176 ? 5.663   -19.461 12.929  1.000 13.738 0 176 ASP A OD2 1 ? 
ATOM   1287 N  N   . SER A 1 177 ? 1.268   -17.291 10.476  1.000 12.085 0 177 SER A N   1 ? 
ATOM   1288 C  CA  . SER A 1 177 ? -0.158  -16.986 10.434  1.000 12.309 0 177 SER A CA  1 ? 
ATOM   1289 C  C   . SER A 1 177 ? -0.862  -17.712 9.310   1.000 11.770 0 177 SER A C   1 ? 
ATOM   1290 O  O   . SER A 1 177 ? -0.355  -17.766 8.203   1.000 8.958  0 177 SER A O   1 ? 
ATOM   1291 C  CB  . SER A 1 177 ? -0.352  -15.478 10.229  1.000 14.995 0 177 SER A CB  1 ? 
ATOM   1292 O  OG  . SER A 1 177 ? 0.040   -14.768 11.368  1.000 18.202 0 177 SER A OG  1 ? 
ATOM   1293 N  N   . GLY A 1 178 ? -2.072  -18.228 9.594   1.000 9.616  0 178 GLY A N   1 ? 
ATOM   1294 C  CA  . GLY A 1 178 ? -2.844  -18.935 8.596   1.000 11.144 0 178 GLY A CA  1 ? 
ATOM   1295 C  C   . GLY A 1 178 ? -2.536  -20.417 8.523   1.000 11.824 0 178 GLY A C   1 ? 
ATOM   1296 O  O   . GLY A 1 178 ? -3.338  -21.151 7.940   1.000 11.016 0 178 GLY A O   1 ? 
ATOM   1297 N  N   . GLY A 1 179 ? -1.409  -20.837 9.100   1.000 11.342 0 179 GLY A N   1 ? 
ATOM   1298 C  CA  . GLY A 1 179 ? -0.892  -22.186 8.925   1.000 12.643 0 179 GLY A CA  1 ? 
ATOM   1299 C  C   . GLY A 1 179 ? -1.612  -23.171 9.848   1.000 12.775 0 179 GLY A C   1 ? 
ATOM   1300 O  O   . GLY A 1 179 ? -2.442  -22.821 10.688  1.000 12.111 0 179 GLY A O   1 ? 
ATOM   1301 N  N   . PRO A 1 180 ? -1.331  -24.453 9.640   1.000 12.741 0 180 PRO A N   1 ? 
ATOM   1302 C  CA  . PRO A 1 180 ? -2.036  -25.541 10.298  1.000 12.224 0 180 PRO A CA  1 ? 
ATOM   1303 C  C   . PRO A 1 180 ? -1.566  -25.851 11.702  1.000 13.506 0 180 PRO A C   1 ? 
ATOM   1304 O  O   . PRO A 1 180 ? -0.382  -25.794 11.996  1.000 12.821 0 180 PRO A O   1 ? 
ATOM   1305 C  CB  . PRO A 1 180 ? -1.699  -26.763 9.442   1.000 13.174 0 180 PRO A CB  1 ? 
ATOM   1306 C  CG  . PRO A 1 180 ? -0.391  -26.441 8.782   1.000 14.703 0 180 PRO A CG  1 ? 
ATOM   1307 C  CD  . PRO A 1 180 ? -0.307  -24.936 8.692   1.000 13.902 0 180 PRO A CD  1 ? 
ATOM   1308 N  N   . VAL A 1 181 ? -2.554  -26.208 12.513  1.000 12.745 0 181 VAL A N   1 ? 
ATOM   1309 C  CA  . VAL A 1 181 ? -2.334  -26.923 13.760  1.000 11.532 0 181 VAL A CA  1 ? 
ATOM   1310 C  C   . VAL A 1 181 ? -3.064  -28.263 13.596  1.000 12.352 0 181 VAL A C   1 ? 
ATOM   1311 O  O   . VAL A 1 181 ? -4.288  -28.280 13.522  1.000 12.191 0 181 VAL A O   1 ? 
ATOM   1312 C  CB  . VAL A 1 181 ? -2.860  -26.130 14.979  1.000 12.603 0 181 VAL A CB  1 ? 
ATOM   1313 C  CG1 . VAL A 1 181 ? -2.525  -26.891 16.244  1.000 13.568 0 181 VAL A CG1 1 ? 
ATOM   1314 C  CG2 . VAL A 1 181 ? -2.339  -24.692 15.013  1.000 13.863 0 181 VAL A CG2 1 ? 
ATOM   1315 N  N   . VAL A 1 182 ? -2.292  -29.351 13.560  1.000 12.340 0 182 VAL A N   1 ? 
ATOM   1316 C  CA  . VAL A 1 182 ? -2.848  -30.662 13.245  1.000 12.955 0 182 VAL A CA  1 ? 
ATOM   1317 C  C   . VAL A 1 182 ? -2.717  -31.535 14.490  1.000 13.513 0 182 VAL A C   1 ? 
ATOM   1318 O  O   . VAL A 1 182 ? -1.643  -31.638 15.070  1.000 14.226 0 182 VAL A O   1 ? 
ATOM   1319 C  CB  . VAL A 1 182 ? -2.191  -31.267 11.999  1.000 14.406 0 182 VAL A CB  1 ? 
ATOM   1320 C  CG1 . VAL A 1 182 ? -2.466  -32.759 11.864  1.000 14.922 0 182 VAL A CG1 1 ? 
ATOM   1321 C  CG2 . VAL A 1 182 ? -2.646  -30.513 10.746  1.000 15.428 0 182 VAL A CG2 1 ? 
ATOM   1322 N  N   . CYS A 1 183 ? -3.839  -32.110 14.908  1.000 13.473 0 183 CYS A N   1 ? 
ATOM   1323 C  CA  . CYS A 1 183 ? -3.841  -32.913 16.114  1.000 14.910 0 183 CYS A CA  1 ? 
ATOM   1324 C  C   . CYS A 1 183 ? -4.574  -34.193 15.781  1.000 17.530 0 183 CYS A C   1 ? 
ATOM   1325 O  O   . CYS A 1 183 ? -5.659  -34.177 15.194  1.000 17.437 0 183 CYS A O   1 ? 
ATOM   1326 C  CB  . CYS A 1 183 ? -4.512  -32.248 17.305  1.000 15.664 0 183 CYS A CB  1 ? 
ATOM   1327 S  SG  . CYS A 1 183 ? -4.254  -30.464 17.423  1.000 18.790 0 183 CYS A SG  1 ? 
ATOM   1328 N  N   . SER A 1 184 ? -3.903  -35.314 16.055  1.000 18.850 0 184 SER A N   1 ? 
ATOM   1329 C  CA  . SER A 1 184 ? -4.488  -36.618 15.774  1.000 22.146 0 184 SER A CA  1 ? 
ATOM   1330 C  C   . SER A 1 184 ? -4.911  -36.717 14.305  1.000 20.971 0 184 SER A C   1 ? 
ATOM   1331 O  O   . SER A 1 184 ? -5.976  -37.268 14.020  1.000 22.534 0 184 SER A O   1 ? 
ATOM   1332 C  CB  . SER A 1 184 ? -5.681  -36.887 16.688  1.000 28.499 0 184 SER A CB  1 ? 
ATOM   1333 O  OG  . SER A 1 184 ? -5.379  -36.569 18.040  1.000 34.704 0 184 SER A OG  1 ? 
ATOM   1334 N  N   . GLY A 1 185 ? -4.089  -36.167 13.385  1.000 19.272 0 185 GLY A N   1 ? 
ATOM   1335 C  CA  . GLY A 1 185 ? -4.313  -36.258 11.946  1.000 19.422 0 185 GLY A CA  1 ? 
ATOM   1336 C  C   . GLY A 1 185 ? -5.477  -35.407 11.418  1.000 19.214 0 185 GLY A C   1 ? 
ATOM   1337 O  O   . GLY A 1 185 ? -5.929  -35.627 10.304  1.000 21.321 0 185 GLY A O   1 ? 
ATOM   1338 N  N   . LYS A 1 186 ? -6.016  -34.483 12.230  1.000 17.248 0 186 LYS A N   1 ? 
ATOM   1339 C  CA  . LYS A 1 186 ? -7.065  -33.582 11.745  1.000 17.114 0 186 LYS A CA  1 ? 
ATOM   1340 C  C   . LYS A 1 186 ? -6.615  -32.138 11.921  1.000 15.229 0 186 LYS A C   1 ? 
ATOM   1341 O  O   . LYS A 1 186 ? -5.897  -31.809 12.859  1.000 14.053 0 186 LYS A O   1 ? 
ATOM   1342 C  CB  . LYS A 1 186 ? -8.363  -33.731 12.534  1.000 20.695 0 186 LYS A CB  1 ? 
ATOM   1343 C  CG  . LYS A 1 186 ? -8.848  -35.177 12.690  1.000 26.149 0 186 LYS A CG  1 ? 
ATOM   1344 C  CD  . LYS A 1 186 ? -9.267  -35.819 11.422  1.000 29.049 0 186 LYS A CD  1 ? 
ATOM   1345 C  CE  . LYS A 1 186 ? -9.707  -37.246 11.688  1.000 35.069 0 186 LYS A CE  1 ? 
ATOM   1346 N  NZ  . LYS A 1 186 ? -10.789 -37.651 10.767  1.000 40.503 0 186 LYS A NZ  1 ? 
ATOM   1347 N  N   . LEU A 1 187 ? -7.128  -31.259 11.055  1.000 14.164 0 187 LEU A N   1 ? 
ATOM   1348 C  CA  . LEU A 1 187 ? -6.876  -29.839 11.239  1.000 14.323 0 187 LEU A CA  1 ? 
ATOM   1349 C  C   . LEU A 1 187 ? -7.701  -29.289 12.385  1.000 14.446 0 187 LEU A C   1 ? 
ATOM   1350 O  O   . LEU A 1 187 ? -8.911  -29.127 12.248  1.000 16.946 0 187 LEU A O   1 ? 
ATOM   1351 C  CB  . LEU A 1 187 ? -7.230  -29.131 9.928   1.000 14.682 0 187 LEU A CB  1 ? 
ATOM   1352 C  CG  . LEU A 1 187 ? -6.946  -27.635 9.910   1.000 15.332 0 187 LEU A CG  1 ? 
ATOM   1353 C  CD1 . LEU A 1 187 ? -5.439  -27.390 10.029  1.000 15.707 0 187 LEU A CD1 1 ? 
ATOM   1354 C  CD2 . LEU A 1 187 ? -7.534  -27.048 8.611   1.000 16.754 0 187 LEU A CD2 1 ? 
ATOM   1355 N  N   . GLN A 1 188 ? -7.060  -28.929 13.489  1.000 12.485 0 188 GLN A N   1 ? 
ATOM   1356 C  CA  . GLN A 1 188 ? -7.812  -28.447 14.623  1.000 13.906 0 188 GLN A CA  1 ? 
ATOM   1357 C  C   . GLN A 1 188 ? -7.665  -26.951 14.810  1.000 12.565 0 188 GLN A C   1 ? 
ATOM   1358 O  O   . GLN A 1 188 ? -8.498  -26.350 15.442  1.000 12.019 0 188 GLN A O   1 ? 
ATOM   1359 C  CB  . GLN A 1 188 ? -7.360  -29.133 15.905  1.000 15.439 0 188 GLN A CB  1 ? 
ATOM   1360 C  CG  . GLN A 1 188 ? -7.837  -30.600 15.962  1.000 17.057 0 188 GLN A CG  1 ? 
ATOM   1361 C  CD  . GLN A 1 188 ? -9.308  -30.816 16.279  1.000 21.905 0 188 GLN A CD  1 ? 
ATOM   1362 O  OE1 . GLN A 1 188 ? -10.083 -29.882 16.433  1.000 21.516 0 188 GLN A OE1 1 ? 
ATOM   1363 N  NE2 . GLN A 1 188 ? -9.713  -32.084 16.408  1.000 18.006 0 188 GLN A NE2 1 ? 
ATOM   1364 N  N   . GLY A 1 189 ? -6.611  -26.363 14.268  1.000 11.039 0 189 GLY A N   1 ? 
ATOM   1365 C  CA  . GLY A 1 189 ? -6.389  -24.956 14.530  1.000 11.279 0 189 GLY A CA  1 ? 
ATOM   1366 C  C   . GLY A 1 189 ? -5.754  -24.261 13.333  1.000 9.591  0 189 GLY A C   1 ? 
ATOM   1367 O  O   . GLY A 1 189 ? -5.183  -24.919 12.418  1.000 10.238 0 189 GLY A O   1 ? 
ATOM   1368 N  N   . ILE A 1 190 ? -5.852  -22.941 13.394  1.000 11.682 0 190 ILE A N   1 ? 
ATOM   1369 C  CA  . ILE A 1 190 ? -5.202  -22.062 12.434  1.000 9.926  0 190 ILE A CA  1 ? 
ATOM   1370 C  C   . ILE A 1 190 ? -4.359  -21.092 13.245  1.000 8.991  0 190 ILE A C   1 ? 
ATOM   1371 O  O   . ILE A 1 190 ? -4.818  -20.470 14.201  1.000 9.877  0 190 ILE A O   1 ? 
ATOM   1372 C  CB  . ILE A 1 190 ? -6.223  -21.307 11.569  1.000 10.571 0 190 ILE A CB  1 ? 
ATOM   1373 C  CG1 . ILE A 1 190 ? -7.124  -22.259 10.786  1.000 12.723 0 190 ILE A CG1 1 ? 
ATOM   1374 C  CG2 . ILE A 1 190 ? -5.550  -20.293 10.626  1.000 11.987 0 190 ILE A CG2 1 ? 
ATOM   1375 C  CD1 . ILE A 1 190 ? -8.382  -21.604 10.298  1.000 15.303 0 190 ILE A CD1 1 ? 
ATOM   1376 N  N   . VAL A 1 191 ? -3.084  -20.926 12.848  1.000 9.405  0 191 VAL A N   1 ? 
ATOM   1377 C  CA  . VAL A 1 191 ? -2.233  -19.937 13.494  1.000 9.491  0 191 VAL A CA  1 ? 
ATOM   1378 C  C   . VAL A 1 191 ? -2.895  -18.550 13.373  1.000 9.443  0 191 VAL A C   1 ? 
ATOM   1379 O  O   . VAL A 1 191 ? -2.978  -17.978 12.277  1.000 9.939  0 191 VAL A O   1 ? 
ATOM   1380 C  CB  . VAL A 1 191 ? -0.806  -19.969 12.929  1.000 11.074 0 191 VAL A CB  1 ? 
ATOM   1381 C  CG1 . VAL A 1 191 ? 0.055   -18.903 13.598  1.000 11.281 0 191 VAL A CG1 1 ? 
ATOM   1382 C  CG2 . VAL A 1 191 ? -0.170  -21.358 13.019  1.000 10.754 0 191 VAL A CG2 1 ? 
ATOM   1383 N  N   . SER A 1 192 ? -3.210  -17.930 14.527  1.000 9.593  0 192 SER A N   1 ? 
ATOM   1384 C  CA  . SER A 1 192 ? -3.974  -16.688 14.580  1.000 10.515 0 192 SER A CA  1 ? 
ATOM   1385 C  C   . SER A 1 192 ? -3.174  -15.549 15.215  1.000 11.122 0 192 SER A C   1 ? 
ATOM   1386 O  O   . SER A 1 192 ? -2.824  -14.595 14.529  1.000 11.727 0 192 SER A O   1 ? 
ATOM   1387 C  CB  . SER A 1 192 ? -5.289  -16.896 15.238  1.000 11.864 0 192 SER A CB  1 ? 
ATOM   1388 O  OG  . SER A 1 192 ? -6.098  -15.750 15.151  1.000 12.112 0 192 SER A OG  1 ? 
ATOM   1389 N  N   . TRP A 1 193 ? -2.895  -15.607 16.530  1.000 11.950 0 193 TRP A N   1 ? 
ATOM   1390 C  CA  . TRP A 1 193 ? -2.262  -14.472 17.180  1.000 12.585 0 193 TRP A CA  1 ? 
ATOM   1391 C  C   . TRP A 1 193 ? -1.528  -14.907 18.446  1.000 14.249 0 193 TRP A C   1 ? 
ATOM   1392 O  O   . TRP A 1 193 ? -1.519  -16.056 18.854  1.000 12.203 0 193 TRP A O   1 ? 
ATOM   1393 C  CB  . TRP A 1 193 ? -3.296  -13.392 17.441  1.000 13.985 0 193 TRP A CB  1 ? 
ATOM   1394 C  CG  . TRP A 1 193 ? -4.421  -13.689 18.373  1.000 13.500 0 193 TRP A CG  1 ? 
ATOM   1395 C  CD1 . TRP A 1 193 ? -5.599  -14.324 18.079  1.000 13.529 0 193 TRP A CD1 1 ? 
ATOM   1396 C  CD2 . TRP A 1 193 ? -4.509  -13.317 19.765  1.000 15.808 0 193 TRP A CD2 1 ? 
ATOM   1397 N  NE1 . TRP A 1 193 ? -6.415  -14.358 19.178  1.000 14.568 0 193 TRP A NE1 1 ? 
ATOM   1398 C  CE2 . TRP A 1 193 ? -5.780  -13.727 20.222  1.000 14.729 0 193 TRP A CE2 1 ? 
ATOM   1399 C  CE3 . TRP A 1 193 ? -3.636  -12.658 20.648  1.000 15.255 0 193 TRP A CE3 1 ? 
ATOM   1400 C  CZ2 . TRP A 1 193 ? -6.198  -13.542 21.551  1.000 17.231 0 193 TRP A CZ2 1 ? 
ATOM   1401 C  CZ3 . TRP A 1 193 ? -4.058  -12.467 21.952  1.000 17.259 0 193 TRP A CZ3 1 ? 
ATOM   1402 C  CH2 . TRP A 1 193 ? -5.315  -12.892 22.379  1.000 15.620 0 193 TRP A CH2 1 ? 
ATOM   1403 N  N   . GLY A 1 194 ? -0.916  -13.925 19.100  1.000 14.227 0 194 GLY A N   1 ? 
ATOM   1404 C  CA  . GLY A 1 194 ? -0.300  -14.123 20.392  1.000 15.280 0 194 GLY A CA  1 ? 
ATOM   1405 C  C   . GLY A 1 194 ? 0.443   -12.840 20.729  1.000 16.533 0 194 GLY A C   1 ? 
ATOM   1406 O  O   . GLY A 1 194 ? 0.495   -11.946 19.882  1.000 19.016 0 194 GLY A O   1 ? 
ATOM   1407 N  N   . SER A 1 195 ? 0.884   -12.695 21.967  1.000 17.454 0 195 SER A N   1 ? 
ATOM   1408 C  CA  . SER A 1 195 ? 1.595   -11.491 22.364  1.000 18.676 0 195 SER A CA  1 ? 
ATOM   1409 C  C   . SER A 1 195 ? 3.088   -11.742 22.196  1.000 19.111 0 195 SER A C   1 ? 
ATOM   1410 O  O   . SER A 1 195 ? 3.677   -12.499 22.955  1.000 21.816 0 195 SER A O   1 ? 
ATOM   1411 C  CB  . SER A 1 195 ? 1.239   -11.082 23.751  1.000 21.622 0 195 SER A CB  1 ? 
ATOM   1412 O  OG  . SER A 1 195 ? 1.863   -9.820  23.997  1.000 27.045 0 195 SER A OG  1 ? 
ATOM   1413 N  N   . GLY A 1 196 ? 3.664   -11.203 21.129  1.000 18.182 0 196 GLY A N   1 ? 
ATOM   1414 C  CA  . GLY A 1 196 ? 5.029   -11.525 20.795  1.000 17.393 0 196 GLY A CA  1 ? 
ATOM   1415 C  C   . GLY A 1 196 ? 5.072   -12.982 20.338  1.000 17.747 0 196 GLY A C   1 ? 
ATOM   1416 O  O   . GLY A 1 196 ? 4.028   -13.486 19.909  1.000 19.284 0 196 GLY A O   1 ? 
ATOM   1417 N  N   . CYS A 1 197 ? 6.260   -13.588 20.444  1.000 18.054 0 197 CYS A N   1 ? 
ATOM   1418 C  CA  . CYS A 1 197 ? 6.461   -14.995 20.162  1.000 17.277 0 197 CYS A CA  1 ? 
ATOM   1419 C  C   . CYS A 1 197 ? 7.322   -15.603 21.261  1.000 19.346 0 197 CYS A C   1 ? 
ATOM   1420 O  O   . CYS A 1 197 ? 8.387   -15.075 21.596  1.000 21.104 0 197 CYS A O   1 ? 
ATOM   1421 C  CB  . CYS A 1 197 ? 7.129   -15.184 18.809  1.000 17.185 0 197 CYS A CB  1 ? 
ATOM   1422 S  SG  . CYS A 1 197 ? 6.287   -14.266 17.488  1.000 18.413 0 197 CYS A SG  1 ? 
ATOM   1423 N  N   . ALA A 1 198 ? 6.884   -16.757 21.754  1.000 17.545 0 198 ALA A N   1 ? 
ATOM   1424 C  CA  . ALA A 1 198 ? 7.690   -17.585 22.643  1.000 18.653 0 198 ALA A CA  1 ? 
ATOM   1425 C  C   . ALA A 1 198 ? 7.950   -16.894 23.975  1.000 20.281 0 198 ALA A C   1 ? 
ATOM   1426 O  O   . ALA A 1 198 ? 8.909   -17.279 24.641  1.000 21.800 0 198 ALA A O   1 ? 
ATOM   1427 C  CB  . ALA A 1 198 ? 8.970   -18.031 22.004  1.000 17.731 0 198 ALA A CB  1 ? 
ATOM   1428 N  N   . GLN A 1 199 ? 7.088   -15.930 24.355  1.000 21.097 0 199 GLN A N   1 ? 
ATOM   1429 C  CA  . GLN A 1 199 ? 7.236   -15.201 25.605  1.000 23.964 0 199 GLN A CA  1 ? 
ATOM   1430 C  C   . GLN A 1 199 ? 6.661   -16.054 26.745  1.000 23.097 0 199 GLN A C   1 ? 
ATOM   1431 O  O   . GLN A 1 199 ? 5.725   -16.818 26.582  1.000 22.350 0 199 GLN A O   1 ? 
ATOM   1432 C  CB  . GLN A 1 199 ? 6.531   -13.837 25.505  1.000 25.506 0 199 GLN A CB  1 ? 
ATOM   1433 C  CG  . GLN A 1 199 ? 7.170   -12.857 24.526  1.000 30.602 0 199 GLN A CG  1 ? 
ATOM   1434 C  CD  . GLN A 1 199 ? 8.668   -12.779 24.676  1.000 36.172 0 199 GLN A CD  1 ? 
ATOM   1435 O  OE1 . GLN A 1 199 ? 9.180   -12.259 25.665  1.000 39.807 0 199 GLN A OE1 1 ? 
ATOM   1436 N  NE2 . GLN A 1 199 ? 9.387   -13.328 23.705  1.000 43.557 0 199 GLN A NE2 1 ? 
ATOM   1437 N  N   . LYS A 1 200 ? 7.202   -15.893 27.952  1.000 26.887 0 200 LYS A N   1 ? 
ATOM   1438 C  CA  . LYS A 1 200 ? 6.694   -16.614 29.109  1.000 27.314 0 200 LYS A CA  1 ? 
ATOM   1439 C  C   . LYS A 1 200 ? 5.269   -16.133 29.387  1.000 23.797 0 200 LYS A C   1 ? 
ATOM   1440 O  O   . LYS A 1 200 ? 4.987   -14.954 29.248  1.000 23.556 0 200 LYS A O   1 ? 
ATOM   1441 C  CB  . LYS A 1 200 ? 7.720   -16.405 30.242  1.000 32.553 0 200 LYS A CB  1 ? 
ATOM   1442 C  CG  . LYS A 1 200 ? 7.336   -16.826 31.650  1.000 39.698 0 200 LYS A CG  1 ? 
ATOM   1443 C  CD  . LYS A 1 200 ? 8.441   -16.466 32.640  1.000 46.097 0 200 LYS A CD  1 ? 
ATOM   1444 C  CE  . LYS A 1 200 ? 7.970   -16.374 34.077  1.000 53.189 0 200 LYS A CE  1 ? 
ATOM   1445 N  NZ  . LYS A 1 200 ? 7.423   -17.669 34.547  1.000 57.858 0 200 LYS A NZ  1 ? 
ATOM   1446 N  N   . ASN A 1 201 ? 4.369   -17.084 29.681  1.000 23.142 0 201 ASN A N   1 ? 
ATOM   1447 C  CA  . ASN A 1 201 ? 2.970   -16.875 30.036  1.000 26.723 0 201 ASN A CA  1 ? 
ATOM   1448 C  C   . ASN A 1 201 ? 2.133   -16.326 28.877  1.000 23.612 0 201 ASN A C   1 ? 
ATOM   1449 O  O   . ASN A 1 201 ? 1.031   -15.861 29.099  1.000 22.897 0 201 ASN A O   1 ? 
ATOM   1450 C  CB  . ASN A 1 201 ? 2.808   -15.980 31.272  1.000 29.894 0 201 ASN A CB  1 ? 
ATOM   1451 C  CG  . ASN A 1 201 ? 3.490   -16.543 32.502  1.000 39.466 0 201 ASN A CG  1 ? 
ATOM   1452 O  OD1 . ASN A 1 201 ? 4.300   -15.871 33.145  1.000 44.109 0 201 ASN A OD1 1 ? 
ATOM   1453 N  ND2 . ASN A 1 201 ? 3.156   -17.776 32.844  1.000 42.203 0 201 ASN A ND2 1 ? 
ATOM   1454 N  N   . LYS A 1 202 ? 2.650   -16.367 27.641  1.000 21.800 0 202 LYS A N   1 ? 
ATOM   1455 C  CA  . LYS A 1 202 ? 1.943   -15.823 26.501  1.000 19.986 0 202 LYS A CA  1 ? 
ATOM   1456 C  C   . LYS A 1 202 ? 1.965   -16.888 25.398  1.000 19.313 0 202 LYS A C   1 ? 
ATOM   1457 O  O   . LYS A 1 202 ? 2.676   -16.788 24.416  1.000 18.552 0 202 LYS A O   1 ? 
ATOM   1458 C  CB  . LYS A 1 202 ? 2.569   -14.489 26.089  1.000 22.176 0 202 LYS A CB  1 ? 
ATOM   1459 C  CG  . LYS A 1 202 ? 2.460   -13.407 27.150  1.000 22.304 0 202 LYS A CG  1 ? 
ATOM   1460 C  CD  . LYS A 1 202 ? 1.050   -12.989 27.361  1.000 27.389 0 202 LYS A CD  1 ? 
ATOM   1461 C  CE  . LYS A 1 202 ? 0.837   -12.061 28.526  1.000 31.542 0 202 LYS A CE  1 ? 
ATOM   1462 N  NZ  . LYS A 1 202 ? -0.520  -11.473 28.399  1.000 34.240 0 202 LYS A NZ  1 ? 
ATOM   1463 N  N   . PRO A 1 203 ? 1.154   -17.954 25.519  1.000 17.990 0 203 PRO A N   1 ? 
ATOM   1464 C  CA  . PRO A 1 203 ? 1.177   -18.993 24.487  1.000 16.408 0 203 PRO A CA  1 ? 
ATOM   1465 C  C   . PRO A 1 203 ? 0.503   -18.487 23.202  1.000 13.769 0 203 PRO A C   1 ? 
ATOM   1466 O  O   . PRO A 1 203 ? -0.065  -17.398 23.141  1.000 14.606 0 203 PRO A O   1 ? 
ATOM   1467 C  CB  . PRO A 1 203 ? 0.402   -20.103 25.170  1.000 17.990 0 203 PRO A CB  1 ? 
ATOM   1468 C  CG  . PRO A 1 203 ? -0.600  -19.347 25.969  1.000 19.631 0 203 PRO A CG  1 ? 
ATOM   1469 C  CD  . PRO A 1 203 ? 0.208   -18.238 26.596  1.000 18.733 0 203 PRO A CD  1 ? 
ATOM   1470 N  N   . GLY A 1 204 ? 0.672   -19.247 22.139  1.000 13.693 0 204 GLY A N   1 ? 
ATOM   1471 C  CA  . GLY A 1 204 ? -0.012  -18.992 20.872  1.000 13.075 0 204 GLY A CA  1 ? 
ATOM   1472 C  C   . GLY A 1 204 ? -1.515  -19.219 21.002  1.000 12.013 0 204 GLY A C   1 ? 
ATOM   1473 O  O   . GLY A 1 204 ? -1.958  -20.072 21.749  1.000 13.157 0 204 GLY A O   1 ? 
ATOM   1474 N  N   . VAL A 1 205 ? -2.286  -18.407 20.263  1.000 12.245 0 205 VAL A N   1 ? 
ATOM   1475 C  CA  . VAL A 1 205 ? -3.724  -18.476 20.193  1.000 11.859 0 205 VAL A CA  1 ? 
ATOM   1476 C  C   . VAL A 1 205 ? -4.098  -18.872 18.766  1.000 12.180 0 205 VAL A C   1 ? 
ATOM   1477 O  O   . VAL A 1 205 ? -3.550  -18.317 17.801  1.000 12.362 0 205 VAL A O   1 ? 
ATOM   1478 C  CB  . VAL A 1 205 ? -4.404  -17.165 20.628  1.000 12.551 0 205 VAL A CB  1 ? 
ATOM   1479 C  CG1 . VAL A 1 205 ? -5.903  -17.323 20.610  1.000 13.483 0 205 VAL A CG1 1 ? 
ATOM   1480 C  CG2 . VAL A 1 205 ? -3.896  -16.699 21.984  1.000 13.863 0 205 VAL A CG2 1 ? 
ATOM   1481 N  N   . TYR A 1 206 ? -5.028  -19.819 18.654  1.000 10.899 0 206 TYR A N   1 ? 
ATOM   1482 C  CA  . TYR A 1 206 ? -5.372  -20.494 17.409  1.000 11.391 0 206 TYR A CA  1 ? 
ATOM   1483 C  C   . TYR A 1 206 ? -6.871  -20.469 17.206  1.000 12.233 0 206 TYR A C   1 ? 
ATOM   1484 O  O   . TYR A 1 206 ? -7.650  -20.636 18.161  1.000 13.179 0 206 TYR A O   1 ? 
ATOM   1485 C  CB  . TYR A 1 206 ? -4.834  -21.918 17.477  1.000 11.246 0 206 TYR A CB  1 ? 
ATOM   1486 C  CG  . TYR A 1 206 ? -3.342  -21.949 17.640  1.000 10.248 0 206 TYR A CG  1 ? 
ATOM   1487 C  CD1 . TYR A 1 206 ? -2.527  -21.805 16.555  1.000 9.998  0 206 TYR A CD1 1 ? 
ATOM   1488 C  CD2 . TYR A 1 206 ? -2.735  -22.037 18.883  1.000 10.924 0 206 TYR A CD2 1 ? 
ATOM   1489 C  CE1 . TYR A 1 206 ? -1.145  -21.746 16.670  1.000 9.979  0 206 TYR A CE1 1 ? 
ATOM   1490 C  CE2 . TYR A 1 206 ? -1.357  -21.982 19.030  1.000 9.937  0 206 TYR A CE2 1 ? 
ATOM   1491 C  CZ  . TYR A 1 206 ? -0.544  -21.847 17.912  1.000 10.475 0 206 TYR A CZ  1 ? 
ATOM   1492 O  OH  . TYR A 1 206 ? 0.843   -21.802 17.981  1.000 11.241 0 206 TYR A OH  1 ? 
ATOM   1493 N  N   . THR A 1 207 ? -7.258  -20.328 15.935  1.000 10.836 0 207 THR A N   1 ? 
ATOM   1494 C  CA  . THR A 1 207 ? -8.659  -20.410 15.596  1.000 11.097 0 207 THR A CA  1 ? 
ATOM   1495 C  C   . THR A 1 207 ? -9.079  -21.863 15.803  1.000 11.363 0 207 THR A C   1 ? 
ATOM   1496 O  O   . THR A 1 207 ? -8.398  -22.761 15.323  1.000 11.644 0 207 THR A O   1 ? 
ATOM   1497 C  CB  . THR A 1 207 ? -8.917  -19.983 14.147  1.000 11.151 0 207 THR A CB  1 ? 
ATOM   1498 O  OG1 . THR A 1 207 ? -8.293  -18.707 14.003  1.000 13.021 0 207 THR A OG1 1 ? 
ATOM   1499 C  CG2 . THR A 1 207 ? -10.403 -19.961 13.888  1.000 11.401 0 207 THR A CG2 1 ? 
ATOM   1500 N  N   . LYS A 1 208 ? -10.221 -22.072 16.452  1.000 12.258 0 208 LYS A N   1 ? 
ATOM   1501 C  CA  . LYS A 1 208 ? -10.760 -23.397 16.734  1.000 12.474 0 208 LYS A CA  1 ? 
ATOM   1502 C  C   . LYS A 1 208 ? -11.612 -23.879 15.572  1.000 14.007 0 208 LYS A C   1 ? 
ATOM   1503 O  O   . LYS A 1 208 ? -12.819 -23.631 15.534  1.000 13.634 0 208 LYS A O   1 ? 
ATOM   1504 C  CB  . LYS A 1 208 ? -11.603 -23.306 18.000  1.000 14.836 0 208 LYS A CB  1 ? 
ATOM   1505 C  CG  . LYS A 1 208 ? -11.931 -24.623 18.645  1.000 16.940 0 208 LYS A CG  1 ? 
ATOM   1506 C  CD  . LYS A 1 208 ? -12.468 -24.388 20.048  1.000 22.577 0 208 LYS A CD  1 ? 
ATOM   1507 C  CE  . LYS A 1 208 ? -12.877 -25.668 20.734  1.000 31.356 0 208 LYS A CE  1 ? 
ATOM   1508 N  NZ  . LYS A 1 208 ? -13.396 -25.374 22.091  1.000 37.259 0 208 LYS A NZ  1 ? 
ATOM   1509 N  N   . VAL A 1 209 ? -10.980 -24.607 14.663  1.000 11.865 0 209 VAL A N   1 ? 
ATOM   1510 C  CA  . VAL A 1 209 ? -11.553 -25.090 13.415  1.000 12.215 0 209 VAL A CA  1 ? 
ATOM   1511 C  C   . VAL A 1 209 ? -12.813 -25.937 13.589  1.000 11.832 0 209 VAL A C   1 ? 
ATOM   1512 O  O   . VAL A 1 209 ? -13.753 -25.796 12.817  1.000 12.916 0 209 VAL A O   1 ? 
ATOM   1513 C  CB  . VAL A 1 209 ? -10.495 -25.856 12.611  1.000 13.077 0 209 VAL A CB  1 ? 
ATOM   1514 C  CG1 . VAL A 1 209 ? -11.140 -26.558 11.437  1.000 14.008 0 209 VAL A CG1 1 ? 
ATOM   1515 C  CG2 . VAL A 1 209 ? -9.387  -24.922 12.159  1.000 13.710 0 209 VAL A CG2 1 ? 
ATOM   1516 N  N   . CYS A 1 210 ? -12.879 -26.719 14.668  1.000 12.563 0 210 CYS A N   1 ? 
ATOM   1517 C  CA  . CYS A 1 210 ? -14.047 -27.582 14.855  1.000 13.930 0 210 CYS A CA  1 ? 
ATOM   1518 C  C   . CYS A 1 210 ? -15.342 -26.781 14.955  1.000 14.507 0 210 CYS A C   1 ? 
ATOM   1519 O  O   . CYS A 1 210 ? -16.401 -27.356 14.664  1.000 17.936 0 210 CYS A O   1 ? 
ATOM   1520 C  CB  . CYS A 1 210 ? -13.892 -28.490 16.045  1.000 13.758 0 210 CYS A CB  1 ? 
ATOM   1521 S  SG  . CYS A 1 210 ? -13.738 -27.609 17.602  1.000 17.386 0 210 CYS A SG  1 ? 
ATOM   1522 N  N   . ASN A 1 211 ? -15.288 -25.475 15.287  1.000 13.675 0 211 ASN A N   1 ? 
ATOM   1523 C  CA  . ASN A 1 211 ? -16.472 -24.636 15.342  1.000 14.961 0 211 ASN A CA  1 ? 
ATOM   1524 C  C   . ASN A 1 211 ? -16.961 -24.213 13.941  1.000 15.521 0 211 ASN A C   1 ? 
ATOM   1525 O  O   . ASN A 1 211 ? -18.063 -23.674 13.810  1.000 19.648 0 211 ASN A O   1 ? 
ATOM   1526 C  CB  . ASN A 1 211 ? -16.238 -23.396 16.215  1.000 15.695 0 211 ASN A CB  1 ? 
ATOM   1527 C  CG  . ASN A 1 211 ? -16.174 -23.691 17.701  1.000 18.255 0 211 ASN A CG  1 ? 
ATOM   1528 O  OD1 . ASN A 1 211 ? -16.314 -24.824 18.124  1.000 19.894 0 211 ASN A OD1 1 ? 
ATOM   1529 N  ND2 . ASN A 1 211 ? -15.951 -22.669 18.514  1.000 19.708 0 211 ASN A ND2 1 ? 
ATOM   1530 N  N   . TYR A 1 212 ? -16.190 -24.494 12.892  1.000 13.932 0 212 TYR A N   1 ? 
ATOM   1531 C  CA  . TYR A 1 212 ? -16.417 -23.894 11.575  1.000 13.450 0 212 TYR A CA  1 ? 
ATOM   1532 C  C   . TYR A 1 212 ? -16.744 -24.930 10.518  1.000 15.338 0 212 TYR A C   1 ? 
ATOM   1533 O  O   . TYR A 1 212 ? -16.905 -24.595 9.362   1.000 14.224 0 212 TYR A O   1 ? 
ATOM   1534 C  CB  . TYR A 1 212 ? -15.204 -23.077 11.144  1.000 14.493 0 212 TYR A CB  1 ? 
ATOM   1535 C  CG  . TYR A 1 212 ? -14.978 -21.895 12.048  1.000 13.419 0 212 TYR A CG  1 ? 
ATOM   1536 C  CD1 . TYR A 1 212 ? -15.778 -20.775 11.939  1.000 14.101 0 212 TYR A CD1 1 ? 
ATOM   1537 C  CD2 . TYR A 1 212 ? -14.066 -21.959 13.083  1.000 13.780 0 212 TYR A CD2 1 ? 
ATOM   1538 C  CE1 . TYR A 1 212 ? -15.647 -19.737 12.829  1.000 13.751 0 212 TYR A CE1 1 ? 
ATOM   1539 C  CE2 . TYR A 1 212 ? -13.933 -20.930 13.986  1.000 12.400 0 212 TYR A CE2 1 ? 
ATOM   1540 C  CZ  . TYR A 1 212 ? -14.703 -19.805 13.830  1.000 13.450 0 212 TYR A CZ  1 ? 
ATOM   1541 O  OH  . TYR A 1 212 ? -14.619 -18.752 14.683  1.000 13.740 0 212 TYR A OH  1 ? 
ATOM   1542 N  N   . VAL A 1 213 ? -16.808 -26.178 10.929  1.000 15.643 0 213 VAL A N   1 ? 
ATOM   1543 C  CA  . VAL A 1 213 ? -16.869 -27.223 9.938   1.000 16.176 0 213 VAL A CA  1 ? 
ATOM   1544 C  C   . VAL A 1 213 ? -18.147 -27.078 9.105   1.000 16.170 0 213 VAL A C   1 ? 
ATOM   1545 O  O   . VAL A 1 213 ? -18.081 -27.302 7.913   1.000 14.043 0 213 VAL A O   1 ? 
ATOM   1546 C  CB  . VAL A 1 213 ? -16.732 -28.591 10.618  1.000 18.015 0 213 VAL A CB  1 ? 
ATOM   1547 C  CG1 . VAL A 1 213 ? -17.189 -29.721 9.712   1.000 21.703 0 213 VAL A CG1 1 ? 
ATOM   1548 C  CG2 . VAL A 1 213 ? -15.288 -28.785 11.056  1.000 19.546 0 213 VAL A CG2 1 ? 
ATOM   1549 N  N   . SER A 1 214 ? -19.283 -26.735 9.721   1.000 15.885 0 214 SER A N   1 ? 
ATOM   1550 C  CA  . SER A 1 214 ? -20.528 -26.596 8.996   1.000 19.466 0 214 SER A CA  1 ? 
ATOM   1551 C  C   . SER A 1 214 ? -20.462 -25.496 7.944   1.000 16.848 0 214 SER A C   1 ? 
ATOM   1552 O  O   . SER A 1 214 ? -20.909 -25.704 6.822   1.000 16.130 0 214 SER A O   1 ? 
ATOM   1553 C  CB  . SER A 1 214 ? -21.645 -26.331 9.957   1.000 24.258 0 214 SER A CB  1 ? 
ATOM   1554 O  OG  . SER A 1 214 ? -21.947 -27.561 10.572  1.000 30.728 0 214 SER A OG  1 ? 
ATOM   1555 N  N   . TRP A 1 215 ? -19.858 -24.362 8.318   1.000 14.765 0 215 TRP A N   1 ? 
ATOM   1556 C  CA  . TRP A 1 215 ? -19.697 -23.243 7.406   1.000 13.882 0 215 TRP A CA  1 ? 
ATOM   1557 C  C   . TRP A 1 215 ? -18.752 -23.648 6.282   1.000 13.391 0 215 TRP A C   1 ? 
ATOM   1558 O  O   . TRP A 1 215 ? -19.003 -23.340 5.131   1.000 13.991 0 215 TRP A O   1 ? 
ATOM   1559 C  CB  . TRP A 1 215 ? -19.214 -21.972 8.153   1.000 13.042 0 215 TRP A CB  1 ? 
ATOM   1560 C  CG  . TRP A 1 215 ? -18.793 -20.841 7.263   1.000 11.555 0 215 TRP A CG  1 ? 
ATOM   1561 C  CD1 . TRP A 1 215 ? -19.601 -20.026 6.521   1.000 11.965 0 215 TRP A CD1 1 ? 
ATOM   1562 C  CD2 . TRP A 1 215 ? -17.460 -20.417 6.983   1.000 12.599 0 215 TRP A CD2 1 ? 
ATOM   1563 N  NE1 . TRP A 1 215 ? -18.854 -19.154 5.792   1.000 12.868 0 215 TRP A NE1 1 ? 
ATOM   1564 C  CE2 . TRP A 1 215 ? -17.526 -19.396 6.015   1.000 11.978 0 215 TRP A CE2 1 ? 
ATOM   1565 C  CE3 . TRP A 1 215 ? -16.200 -20.885 7.350   1.000 11.859 0 215 TRP A CE3 1 ? 
ATOM   1566 C  CZ2 . TRP A 1 215 ? -16.396 -18.737 5.536   1.000 12.022 0 215 TRP A CZ2 1 ? 
ATOM   1567 C  CZ3 . TRP A 1 215 ? -15.084 -20.273 6.840   1.000 13.076 0 215 TRP A CZ3 1 ? 
ATOM   1568 C  CH2 . TRP A 1 215 ? -15.166 -19.216 5.949   1.000 12.683 0 215 TRP A CH2 1 ? 
ATOM   1569 N  N   . ILE A 1 216 ? -17.650 -24.313 6.598   1.000 12.716 0 216 ILE A N   1 ? 
ATOM   1570 C  CA  . ILE A 1 216 ? -16.753 -24.711 5.517   1.000 14.402 0 216 ILE A CA  1 ? 
ATOM   1571 C  C   . ILE A 1 216 ? -17.442 -25.648 4.523   1.000 15.057 0 216 ILE A C   1 ? 
ATOM   1572 O  O   . ILE A 1 216 ? -17.398 -25.459 3.321   1.000 13.459 0 216 ILE A O   1 ? 
ATOM   1573 C  CB  . ILE A 1 216 ? -15.511 -25.386 6.095   1.000 14.742 0 216 ILE A CB  1 ? 
ATOM   1574 C  CG1 . ILE A 1 216 ? -14.675 -24.388 6.906   1.000 14.816 0 216 ILE A CG1 1 ? 
ATOM   1575 C  CG2 . ILE A 1 216 ? -14.747 -26.088 4.994   1.000 14.813 0 216 ILE A CG2 1 ? 
ATOM   1576 C  CD1 . ILE A 1 216 ? -13.555 -25.020 7.677   1.000 15.623 0 216 ILE A CD1 1 ? 
ATOM   1577 N  N   . LYS A 1 217 ? -18.102 -26.683 5.036   1.000 15.760 0 217 LYS A N   1 ? 
ATOM   1578 C  CA  . LYS A 1 217 ? -18.742 -27.645 4.151   1.000 17.949 0 217 LYS A CA  1 ? 
ATOM   1579 C  C   . LYS A 1 217 ? -19.832 -27.007 3.293   1.000 18.692 0 217 LYS A C   1 ? 
ATOM   1580 O  O   . LYS A 1 217 ? -19.920 -27.304 2.098   1.000 18.647 0 217 LYS A O   1 ? 
ATOM   1581 C  CB  . LYS A 1 217 ? -19.303 -28.802 4.975   1.000 19.409 0 217 LYS A CB  1 ? 
ATOM   1582 C  CG  . LYS A 1 217 ? -18.235 -29.736 5.533   1.000 25.893 0 217 LYS A CG  1 ? 
ATOM   1583 C  CD  . LYS A 1 217 ? -18.868 -30.808 6.411   1.000 32.105 0 217 LYS A CD  1 ? 
ATOM   1584 C  CE  . LYS A 1 217 ? -17.895 -31.798 7.015   1.000 39.311 0 217 LYS A CE  1 ? 
ATOM   1585 N  NZ  . LYS A 1 217 ? -17.384 -32.738 5.989   1.000 45.557 0 217 LYS A NZ  1 ? 
ATOM   1586 N  N   . GLN A 1 218 ? -20.646 -26.142 3.887   1.000 18.158 0 218 GLN A N   1 ? 
ATOM   1587 C  CA  . GLN A 1 218 ? -21.702 -25.485 3.130   1.000 19.646 0 218 GLN A CA  1 ? 
ATOM   1588 C  C   . GLN A 1 218 ? -21.103 -24.573 2.067   1.000 18.464 0 218 GLN A C   1 ? 
ATOM   1589 O  O   . GLN A 1 218 ? -21.609 -24.492 0.939   1.000 20.808 0 218 GLN A O   1 ? 
ATOM   1590 C  CB  . GLN A 1 218 ? -22.696 -24.799 4.082   1.000 26.187 0 218 GLN A CB  1 ? 
ATOM   1591 C  CG  . GLN A 1 218 ? -22.275 -23.462 4.656   1.000 33.675 0 218 GLN A CG  1 ? 
ATOM   1592 C  CD  . GLN A 1 218 ? -22.792 -22.267 3.876   1.000 45.261 0 218 GLN A CD  1 ? 
ATOM   1593 O  OE1 . GLN A 1 218 ? -23.738 -22.370 3.092   1.000 62.900 0 218 GLN A OE1 1 ? 
ATOM   1594 N  NE2 . GLN A 1 218 ? -22.180 -21.107 4.088   1.000 39.783 0 218 GLN A NE2 1 ? 
ATOM   1595 N  N   . THR A 1 219 ? -20.016 -23.859 2.414   1.000 14.552 0 219 THR A N   1 ? 
ATOM   1596 C  CA  . THR A 1 219 ? -19.431 -22.914 1.471   1.000 16.751 0 219 THR A CA  1 ? 
ATOM   1597 C  C   . THR A 1 219 ? -18.818 -23.643 0.277   1.000 16.667 0 219 THR A C   1 ? 
ATOM   1598 O  O   . THR A 1 219 ? -18.993 -23.207 -0.854  1.000 16.459 0 219 THR A O   1 ? 
ATOM   1599 C  CB  . THR A 1 219 ? -18.415 -22.005 2.168   1.000 16.215 0 219 THR A CB  1 ? 
ATOM   1600 O  OG1 . THR A 1 219 ? -19.087 -21.297 3.212   1.000 15.845 0 219 THR A OG1 1 ? 
ATOM   1601 C  CG2 . THR A 1 219 ? -17.699 -21.069 1.211   1.000 17.151 0 219 THR A CG2 1 ? 
ATOM   1602 N  N   . ILE A 1 220 ? -18.078 -24.719 0.525   1.000 16.978 0 220 ILE A N   1 ? 
ATOM   1603 C  CA  . ILE A 1 220 ? -17.446 -25.469 -0.555  1.000 21.152 0 220 ILE A CA  1 ? 
ATOM   1604 C  C   . ILE A 1 220 ? -18.474 -26.112 -1.465  1.000 21.280 0 220 ILE A C   1 ? 
ATOM   1605 O  O   . ILE A 1 220 ? -18.220 -26.297 -2.651  1.000 20.968 0 220 ILE A O   1 ? 
ATOM   1606 C  CB  . ILE A 1 220 ? -16.521 -26.541 0.031   1.000 24.375 0 220 ILE A CB  1 ? 
ATOM   1607 C  CG1 . ILE A 1 220 ? -15.298 -25.868 0.625   1.000 25.216 0 220 ILE A CG1 1 ? 
ATOM   1608 C  CG2 . ILE A 1 220 ? -16.183 -27.601 -1.010  1.000 28.199 0 220 ILE A CG2 1 ? 
ATOM   1609 C  CD1 . ILE A 1 220 ? -14.451 -26.853 1.386   1.000 27.275 0 220 ILE A CD1 1 ? 
ATOM   1610 N  N   . ALA A 1 221 ? -19.659 -26.396 -0.947  1.000 20.085 0 221 ALA A N   1 ? 
ATOM   1611 C  CA  . ALA A 1 221 ? -20.642 -27.098 -1.758  1.000 21.750 0 221 ALA A CA  1 ? 
ATOM   1612 C  C   . ALA A 1 221 ? -21.424 -26.149 -2.661  1.000 23.629 0 221 ALA A C   1 ? 
ATOM   1613 O  O   . ALA A 1 221 ? -22.230 -26.583 -3.482  1.000 24.376 0 221 ALA A O   1 ? 
ATOM   1614 C  CB  . ALA A 1 221 ? -21.539 -27.836 -0.820  1.000 23.208 0 221 ALA A CB  1 ? 
ATOM   1615 N  N   . SER A 1 222 ? -21.184 -24.841 -2.542  1.000 20.899 0 222 SER A N   1 ? 
ATOM   1616 C  CA  . SER A 1 222 ? -21.927 -23.835 -3.277  1.000 21.378 0 222 SER A CA  1 ? 
ATOM   1617 C  C   . SER A 1 222 ? -21.038 -22.878 -4.042  1.000 18.492 0 222 SER A C   1 ? 
ATOM   1618 O  O   . SER A 1 222 ? -21.568 -21.911 -4.554  1.000 20.428 0 222 SER A O   1 ? 
ATOM   1619 C  CB  . SER A 1 222 ? -22.750 -23.004 -2.323  1.000 24.196 0 222 SER A CB  1 ? 
ATOM   1620 O  OG  . SER A 1 222 ? -23.323 -23.801 -1.320  1.000 30.344 0 222 SER A OG  1 ? 
ATOM   1621 N  N   . ASN A 1 223 ? -19.715 -23.095 -4.050  1.000 17.083 0 223 ASN A N   1 ? 
ATOM   1622 C  CA  . ASN A 1 223 ? -18.790 -22.154 -4.626  1.000 18.507 0 223 ASN A CA  1 ? 
ATOM   1623 C  C   . ASN A 1 223 ? -17.712 -22.910 -5.402  1.000 18.899 0 223 ASN A C   1 ? 
ATOM   1624 O  O   . ASN A 1 223 ? -16.951 -22.214 -6.094  1.000 21.644 0 223 ASN A O   1 ? 
ATOM   1625 C  CB  . ASN A 1 223 ? -18.163 -21.259 -3.542  1.000 19.071 0 223 ASN A CB  1 ? 
ATOM   1626 C  CG  . ASN A 1 223 ? -19.149 -20.275 -2.987  1.000 18.591 0 223 ASN A CG  1 ? 
ATOM   1627 O  OD1 . ASN A 1 223 ? -19.233 -19.171 -3.525  1.000 22.022 0 223 ASN A OD1 1 ? 
ATOM   1628 N  ND2 . ASN A 1 223 ? -19.787 -20.607 -1.866  1.000 17.913 0 223 ASN A ND2 1 ? 
ATOM   1629 O  OXT . ASN A 1 223 ? -17.651 -24.134 -5.257  1.000 19.404 0 223 ASN A OXT 1 ? 
HETATM 1630 CA CA  . CA  B 2 .   ? 10.525  -24.485 -3.473  1.000 15.136 0 301 CA  A CA  1 ? 
HETATM 1631 C  C1  . BEN C 3 .   ? 1.903   -15.646 17.150  1.000 20.127 0 302 BEN A C1  1 ? 
HETATM 1632 C  C2  . BEN C 3 .   ? 1.361   -16.195 15.999  1.000 18.974 0 302 BEN A C2  1 ? 
HETATM 1633 C  C3  . BEN C 3 .   ? 1.093   -15.407 14.897  1.000 18.423 0 302 BEN A C3  1 ? 
HETATM 1634 C  C4  . BEN C 3 .   ? 1.405   -14.079 14.907  1.000 19.627 0 302 BEN A C4  1 ? 
HETATM 1635 C  C5  . BEN C 3 .   ? 1.937   -13.526 16.034  1.000 20.591 0 302 BEN A C5  1 ? 
HETATM 1636 C  C6  . BEN C 3 .   ? 2.223   -14.300 17.150  1.000 20.220 0 302 BEN A C6  1 ? 
HETATM 1637 C  C   . BEN C 3 .   ? 2.210   -16.491 18.329  1.000 18.872 0 302 BEN A C   1 ? 
HETATM 1638 N  N1  . BEN C 3 .   ? 1.857   -17.718 18.409  1.000 17.372 0 302 BEN A N1  1 ? 
HETATM 1639 N  N2  . BEN C 3 .   ? 2.902   -15.907 19.317  1.000 16.308 0 302 BEN A N2  1 ? 
HETATM 1640 O  O   . HOH D 4 .   ? 1.710   -8.633  3.708   1.000 31.705 0 401 HOH A O   1 ? 
HETATM 1641 O  O   . HOH D 4 .   ? 19.162  -22.517 1.100   1.000 60.230 0 402 HOH A O   1 ? 
HETATM 1642 O  O   . HOH D 4 .   ? -10.760 -27.392 16.456  1.000 14.341 0 403 HOH A O   1 ? 
HETATM 1643 O  O   . HOH D 4 .   ? -7.598  -8.189  9.294   1.000 25.343 0 404 HOH A O   1 ? 
HETATM 1644 O  O   . HOH D 4 .   ? -5.186  -14.902 -7.322  1.000 42.022 0 405 HOH A O   1 ? 
HETATM 1645 O  O   . HOH D 4 .   ? -16.830 -9.457  9.321   1.000 36.966 0 406 HOH A O   1 ? 
HETATM 1646 O  O   . HOH D 4 .   ? 4.884   -30.808 0.620   1.000 30.128 0 407 HOH A O   1 ? 
HETATM 1647 O  O   . HOH D 4 .   ? -11.960 -10.534 -2.719  1.000 46.941 0 408 HOH A O   1 ? 
HETATM 1648 O  O   . HOH D 4 .   ? 10.859  -34.496 -1.358  1.000 45.957 0 409 HOH A O   1 ? 
HETATM 1649 O  O   . HOH D 4 .   ? 3.528   -31.763 -6.901  1.000 28.275 0 410 HOH A O   1 ? 
HETATM 1650 O  O   . HOH D 4 .   ? -16.251 -26.449 -4.375  1.000 28.223 0 411 HOH A O   1 ? 
HETATM 1651 O  O   . HOH D 4 .   ? -10.507 -32.149 4.253   1.000 37.618 0 412 HOH A O   1 ? 
HETATM 1652 O  O   . HOH D 4 .   ? 11.501  -28.870 6.120   1.000 19.772 0 413 HOH A O   1 ? 
HETATM 1653 O  O   . HOH D 4 .   ? 1.981   -9.969  18.931  1.000 36.806 0 414 HOH A O   1 ? 
HETATM 1654 O  O   . HOH D 4 .   ? 9.220   -28.791 -3.884  1.000 26.681 0 415 HOH A O   1 ? 
HETATM 1655 O  O   . HOH D 4 .   ? -4.560  -23.530 8.069   1.000 16.188 0 416 HOH A O   1 ? 
HETATM 1656 O  O   . HOH D 4 .   ? -8.154  -34.254 16.182  1.000 30.055 0 417 HOH A O   1 ? 
HETATM 1657 O  O   . HOH D 4 .   ? 14.098  -29.448 4.783   1.000 27.865 0 418 HOH A O   1 ? 
HETATM 1658 O  O   . HOH D 4 .   ? -9.048  -3.767  12.722  1.000 35.489 0 419 HOH A O   1 ? 
HETATM 1659 O  O   . HOH D 4 .   ? -8.897  -0.941  14.963  1.000 19.264 0 420 HOH A O   1 ? 
HETATM 1660 O  O   . HOH D 4 .   ? 3.387   -7.861  8.722   1.000 44.162 0 421 HOH A O   1 ? 
HETATM 1661 O  O   . HOH D 4 .   ? -1.394  -35.265 17.101  1.000 38.624 0 422 HOH A O   1 ? 
HETATM 1662 O  O   . HOH D 4 .   ? -7.384  -13.559 -2.863  1.000 43.550 0 423 HOH A O   1 ? 
HETATM 1663 O  O   . HOH D 4 .   ? -5.804  -35.156 26.004  1.000 30.392 0 424 HOH A O   1 ? 
HETATM 1664 O  O   . HOH D 4 .   ? 4.536   -15.088 23.041  1.000 20.335 0 425 HOH A O   1 ? 
HETATM 1665 O  O   . HOH D 4 .   ? 1.082   -29.038 10.649  1.000 16.216 0 426 HOH A O   1 ? 
HETATM 1666 O  O   . HOH D 4 .   ? -6.178  -36.071 7.487   1.000 33.937 0 427 HOH A O   1 ? 
HETATM 1667 O  O   . HOH D 4 .   ? -7.769  -34.603 21.211  1.000 33.221 0 428 HOH A O   1 ? 
HETATM 1668 O  O   . HOH D 4 .   ? -9.789  -10.998 21.391  1.000 25.595 0 429 HOH A O   1 ? 
HETATM 1669 O  O   . HOH D 4 .   ? 11.328  -28.352 18.939  1.000 38.173 0 430 HOH A O   1 ? 
HETATM 1670 O  O   . HOH D 4 .   ? 1.872   -12.863 10.576  1.000 35.700 0 431 HOH A O   1 ? 
HETATM 1671 O  O   . HOH D 4 .   ? 1.511   -28.608 -0.157  1.000 20.680 0 432 HOH A O   1 ? 
HETATM 1672 O  O   . HOH D 4 .   ? -1.419  -35.774 13.994  1.000 29.942 0 433 HOH A O   1 ? 
HETATM 1673 O  O   . HOH D 4 .   ? -15.171 -10.386 18.986  1.000 34.795 0 434 HOH A O   1 ? 
HETATM 1674 O  O   . HOH D 4 .   ? -6.347  -36.319 4.629   1.000 55.288 0 435 HOH A O   1 ? 
HETATM 1675 O  O   . HOH D 4 .   ? -6.988  -14.256 -10.909 1.000 48.684 0 436 HOH A O   1 ? 
HETATM 1676 O  O   . HOH D 4 .   ? 6.081   -30.560 3.803   1.000 29.310 0 437 HOH A O   1 ? 
HETATM 1677 O  O   . HOH D 4 .   ? 10.126  -12.077 17.532  1.000 46.403 0 438 HOH A O   1 ? 
HETATM 1678 O  O   . HOH D 4 .   ? 4.713   -28.343 1.937   1.000 23.753 0 439 HOH A O   1 ? 
HETATM 1679 O  O   . HOH D 4 .   ? -2.422  -37.522 -2.089  1.000 47.103 0 440 HOH A O   1 ? 
HETATM 1680 O  O   . HOH D 4 .   ? 8.330   -29.268 3.083   1.000 26.169 0 441 HOH A O   1 ? 
HETATM 1681 O  O   . HOH D 4 .   ? -1.742  -12.008 14.347  1.000 22.717 0 442 HOH A O   1 ? 
HETATM 1682 O  O   . HOH D 4 .   ? 8.552   -13.063 2.921   1.000 39.481 0 443 HOH A O   1 ? 
HETATM 1683 O  O   . HOH D 4 .   ? -8.585  -9.332  6.694   1.000 25.823 0 444 HOH A O   1 ? 
HETATM 1684 O  O   . HOH D 4 .   ? -8.582  -16.237 16.514  1.000 18.322 0 445 HOH A O   1 ? 
HETATM 1685 O  O   . HOH D 4 .   ? -8.528  -34.721 3.371   1.000 46.335 0 446 HOH A O   1 ? 
HETATM 1686 O  O   . HOH D 4 .   ? 8.367   -11.660 21.215  1.000 28.948 0 447 HOH A O   1 ? 
HETATM 1687 O  O   . HOH D 4 .   ? -18.887 -14.762 16.418  1.000 36.547 0 448 HOH A O   1 ? 
HETATM 1688 O  O   . HOH D 4 .   ? 14.927  -21.854 -8.166  1.000 24.096 0 449 HOH A O   1 ? 
HETATM 1689 O  O   . HOH D 4 .   ? 3.026   -14.410 -6.931  1.000 35.062 0 450 HOH A O   1 ? 
HETATM 1690 O  O   . HOH D 4 .   ? -13.457 -7.268  10.754  1.000 19.689 0 451 HOH A O   1 ? 
HETATM 1691 O  O   . HOH D 4 .   ? -3.122  -20.243 -11.712 1.000 30.140 0 452 HOH A O   1 ? 
HETATM 1692 O  O   . HOH D 4 .   ? -15.986 -13.533 -1.654  1.000 29.630 0 453 HOH A O   1 ? 
HETATM 1693 O  O   . HOH D 4 .   ? -4.752  -36.942 2.332   1.000 41.305 0 454 HOH A O   1 ? 
HETATM 1694 O  O   . HOH D 4 .   ? -1.321  -9.860  26.168  1.000 45.054 0 455 HOH A O   1 ? 
HETATM 1695 O  O   . HOH D 4 .   ? -7.043  -23.443 25.244  1.000 18.433 0 456 HOH A O   1 ? 
HETATM 1696 O  O   . HOH D 4 .   ? -0.789  -18.551 17.059  1.000 18.673 0 457 HOH A O   1 ? 
HETATM 1697 O  O   . HOH D 4 .   ? -19.505 -20.393 11.456  1.000 26.151 0 458 HOH A O   1 ? 
HETATM 1698 O  O   . HOH D 4 .   ? -9.919  -14.553 28.278  1.000 34.508 0 459 HOH A O   1 ? 
HETATM 1699 O  O   . HOH D 4 .   ? -12.352 -33.489 5.795   1.000 32.755 0 460 HOH A O   1 ? 
HETATM 1700 O  O   . HOH D 4 .   ? -1.432  -36.240 22.151  1.000 33.024 0 461 HOH A O   1 ? 
HETATM 1701 O  O   . HOH D 4 .   ? -3.167  -26.524 30.607  1.000 32.610 0 462 HOH A O   1 ? 
HETATM 1702 O  O   . HOH D 4 .   ? 9.485   -14.115 28.260  1.000 39.646 0 463 HOH A O   1 ? 
HETATM 1703 O  O   . HOH D 4 .   ? -18.744 -20.380 19.128  1.000 40.038 0 464 HOH A O   1 ? 
HETATM 1704 O  O   . HOH D 4 .   ? -10.053 -33.389 -3.433  1.000 39.429 0 465 HOH A O   1 ? 
HETATM 1705 O  O   . HOH D 4 .   ? -10.240 -28.160 19.448  1.000 31.039 0 466 HOH A O   1 ? 
HETATM 1706 O  O   . HOH D 4 .   ? 8.554   -28.899 21.687  1.000 50.234 0 467 HOH A O   1 ? 
HETATM 1707 O  O   . HOH D 4 .   ? -19.817 -23.431 11.448  1.000 24.155 0 468 HOH A O   1 ? 
HETATM 1708 O  O   . HOH D 4 .   ? -12.621 -13.106 -3.866  1.000 36.610 0 469 HOH A O   1 ? 
HETATM 1709 O  O   . HOH D 4 .   ? -18.857 -17.800 15.690  1.000 47.679 0 470 HOH A O   1 ? 
HETATM 1710 O  O   . HOH D 4 .   ? -16.390 -31.926 20.137  1.000 32.585 0 471 HOH A O   1 ? 
HETATM 1711 O  O   . HOH D 4 .   ? -9.881  -27.486 -12.030 1.000 42.175 0 472 HOH A O   1 ? 
HETATM 1712 O  O   . HOH D 4 .   ? -11.286 -17.218 16.228  1.000 14.603 0 473 HOH A O   1 ? 
HETATM 1713 O  O   . HOH D 4 .   ? -10.324 -25.659 23.835  1.000 40.058 0 474 HOH A O   1 ? 
HETATM 1714 O  O   . HOH D 4 .   ? -16.532 -30.348 14.334  1.000 55.872 0 475 HOH A O   1 ? 
HETATM 1715 O  O   . HOH D 4 .   ? 16.176  -24.147 -8.859  1.000 36.190 0 476 HOH A O   1 ? 
HETATM 1716 O  O   . HOH D 4 .   ? -12.068 -21.168 24.496  1.000 44.947 0 477 HOH A O   1 ? 
HETATM 1717 O  O   . HOH D 4 .   ? -5.469  -6.525  -0.612  1.000 34.972 0 478 HOH A O   1 ? 
HETATM 1718 O  O   . HOH D 4 .   ? -4.765  -36.223 -0.375  1.000 35.816 0 479 HOH A O   1 ? 
HETATM 1719 O  O   . HOH D 4 .   ? -6.576  -8.374  5.817   1.000 43.023 0 480 HOH A O   1 ? 
HETATM 1720 O  O   . HOH D 4 .   ? -21.853 -30.229 8.910   1.000 55.333 0 481 HOH A O   1 ? 
HETATM 1721 O  O   . HOH D 4 .   ? -0.678  -11.238 17.018  1.000 35.664 0 482 HOH A O   1 ? 
HETATM 1722 O  O   . HOH D 4 .   ? 11.007  -36.967 2.504   1.000 53.769 0 483 HOH A O   1 ? 
HETATM 1723 O  O   . HOH D 4 .   ? 13.672  -28.951 18.178  1.000 47.425 0 484 HOH A O   1 ? 
HETATM 1724 O  O   . HOH D 4 .   ? 0.667   -11.327 12.281  1.000 48.703 0 485 HOH A O   1 ? 
HETATM 1725 O  O   . HOH D 4 .   ? -2.509  -9.911  12.966  1.000 49.064 0 486 HOH A O   1 ? 
# 
