data_9AWM
# 
_entry.id   9AWM 
# 
_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   9AWM         pdb_00009awm 10.2210/pdb9awm/pdb 
WWPDB D_1000282195 ?            ?                   
# 
_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                        9AWM 
_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 225 Kelvin with benzamidine (Triplicate)' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Lima, L.M.T.R.'    1 0000-0001-6020-0504 
primary 'de Sa Ribeiro, F.' 2 0000-0002-8521-6745 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Cationic trypsin' 23324.287 1   3.4.21.4 ? ? ? 
2 non-polymer syn 'CALCIUM ION'      40.078    1   ?        ? ? ? 
3 non-polymer syn BENZAMIDINE        120.152   1   ?        ? ? ? 
4 water       nat water              18.015    193 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        Beta-trypsin 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNT
LNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNM
FCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
;
_entity_poly.pdbx_seq_one_letter_code_can   
;IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNT
LNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNM
FCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'CALCIUM ION' CA  
3 BENZAMIDINE   BEN 
4 water         HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ILE n 
1 2   VAL n 
1 3   GLY n 
1 4   GLY n 
1 5   TYR n 
1 6   THR n 
1 7   CYS n 
1 8   GLY n 
1 9   ALA n 
1 10  ASN n 
1 11  THR n 
1 12  VAL n 
1 13  PRO n 
1 14  TYR n 
1 15  GLN n 
1 16  VAL n 
1 17  SER n 
1 18  LEU n 
1 19  ASN n 
1 20  SER n 
1 21  GLY n 
1 22  TYR n 
1 23  HIS n 
1 24  PHE n 
1 25  CYS n 
1 26  GLY n 
1 27  GLY n 
1 28  SER n 
1 29  LEU n 
1 30  ILE n 
1 31  ASN n 
1 32  SER n 
1 33  GLN n 
1 34  TRP n 
1 35  VAL n 
1 36  VAL n 
1 37  SER n 
1 38  ALA n 
1 39  ALA n 
1 40  HIS n 
1 41  CYS n 
1 42  TYR n 
1 43  LYS n 
1 44  SER n 
1 45  GLY n 
1 46  ILE n 
1 47  GLN n 
1 48  VAL n 
1 49  ARG n 
1 50  LEU n 
1 51  GLY n 
1 52  GLU n 
1 53  ASP n 
1 54  ASN n 
1 55  ILE n 
1 56  ASN n 
1 57  VAL n 
1 58  VAL n 
1 59  GLU n 
1 60  GLY n 
1 61  ASN n 
1 62  GLU n 
1 63  GLN n 
1 64  PHE n 
1 65  ILE n 
1 66  SER n 
1 67  ALA n 
1 68  SER n 
1 69  LYS n 
1 70  SER n 
1 71  ILE n 
1 72  VAL n 
1 73  HIS n 
1 74  PRO n 
1 75  SER n 
1 76  TYR n 
1 77  ASN n 
1 78  SER n 
1 79  ASN n 
1 80  THR n 
1 81  LEU n 
1 82  ASN n 
1 83  ASN n 
1 84  ASP n 
1 85  ILE n 
1 86  MET n 
1 87  LEU n 
1 88  ILE n 
1 89  LYS n 
1 90  LEU n 
1 91  LYS n 
1 92  SER n 
1 93  ALA n 
1 94  ALA n 
1 95  SER n 
1 96  LEU n 
1 97  ASN n 
1 98  SER n 
1 99  ARG n 
1 100 VAL n 
1 101 ALA n 
1 102 SER n 
1 103 ILE n 
1 104 SER n 
1 105 LEU n 
1 106 PRO n 
1 107 THR n 
1 108 SER n 
1 109 CYS n 
1 110 ALA n 
1 111 SER n 
1 112 ALA n 
1 113 GLY n 
1 114 THR n 
1 115 GLN n 
1 116 CYS n 
1 117 LEU n 
1 118 ILE n 
1 119 SER n 
1 120 GLY n 
1 121 TRP n 
1 122 GLY n 
1 123 ASN n 
1 124 THR n 
1 125 LYS n 
1 126 SER n 
1 127 SER n 
1 128 GLY n 
1 129 THR n 
1 130 SER n 
1 131 TYR n 
1 132 PRO n 
1 133 ASP n 
1 134 VAL n 
1 135 LEU n 
1 136 LYS n 
1 137 CYS n 
1 138 LEU n 
1 139 LYS n 
1 140 ALA n 
1 141 PRO n 
1 142 ILE n 
1 143 LEU n 
1 144 SER n 
1 145 ASP n 
1 146 SER n 
1 147 SER n 
1 148 CYS n 
1 149 LYS n 
1 150 SER n 
1 151 ALA n 
1 152 TYR n 
1 153 PRO n 
1 154 GLY n 
1 155 GLN n 
1 156 ILE n 
1 157 THR n 
1 158 SER n 
1 159 ASN n 
1 160 MET n 
1 161 PHE n 
1 162 CYS n 
1 163 ALA n 
1 164 GLY n 
1 165 TYR n 
1 166 LEU n 
1 167 GLU n 
1 168 GLY n 
1 169 GLY n 
1 170 LYS n 
1 171 ASP n 
1 172 SER n 
1 173 CYS n 
1 174 GLN n 
1 175 GLY n 
1 176 ASP n 
1 177 SER n 
1 178 GLY n 
1 179 GLY n 
1 180 PRO n 
1 181 VAL n 
1 182 VAL n 
1 183 CYS n 
1 184 SER n 
1 185 GLY n 
1 186 LYS n 
1 187 LEU n 
1 188 GLN n 
1 189 GLY n 
1 190 ILE n 
1 191 VAL n 
1 192 SER n 
1 193 TRP n 
1 194 GLY n 
1 195 SER n 
1 196 GLY n 
1 197 CYS n 
1 198 ALA n 
1 199 GLN n 
1 200 LYS n 
1 201 ASN n 
1 202 LYS n 
1 203 PRO n 
1 204 GLY n 
1 205 VAL n 
1 206 TYR n 
1 207 THR n 
1 208 LYS n 
1 209 VAL n 
1 210 CYS n 
1 211 ASN n 
1 212 TYR n 
1 213 VAL n 
1 214 SER n 
1 215 TRP n 
1 216 ILE n 
1 217 LYS n 
1 218 GLN n 
1 219 THR n 
1 220 ILE n 
1 221 ALA n 
1 222 SER n 
1 223 ASN n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   223 
_entity_src_gen.gene_src_common_name               cattle 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 ? 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Bos taurus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9913 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Bos taurus' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     9913 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
BEN non-polymer         . BENZAMIDINE     ? 'C7 H8 N2'       120.152 
CA  non-polymer         . 'CALCIUM ION'   ? 'Ca 2'           40.078  
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE       ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   ILE 1   1   1   ILE ILE A . n 
A 1 2   VAL 2   2   2   VAL VAL A . n 
A 1 3   GLY 3   3   3   GLY GLY A . n 
A 1 4   GLY 4   4   4   GLY GLY A . n 
A 1 5   TYR 5   5   5   TYR TYR A . n 
A 1 6   THR 6   6   6   THR THR A . n 
A 1 7   CYS 7   7   7   CYS CYS A . n 
A 1 8   GLY 8   8   8   GLY GLY A . n 
A 1 9   ALA 9   9   9   ALA ALA A . n 
A 1 10  ASN 10  10  10  ASN ASN A . n 
A 1 11  THR 11  11  11  THR THR A . n 
A 1 12  VAL 12  12  12  VAL VAL A . n 
A 1 13  PRO 13  13  13  PRO PRO A . n 
A 1 14  TYR 14  14  14  TYR TYR A . n 
A 1 15  GLN 15  15  15  GLN GLN A . n 
A 1 16  VAL 16  16  16  VAL VAL A . n 
A 1 17  SER 17  17  17  SER SER A . n 
A 1 18  LEU 18  18  18  LEU LEU A . n 
A 1 19  ASN 19  19  19  ASN ASN A . n 
A 1 20  SER 20  20  20  SER SER A . n 
A 1 21  GLY 21  21  21  GLY GLY A . n 
A 1 22  TYR 22  22  22  TYR TYR A . n 
A 1 23  HIS 23  23  23  HIS HIS A . n 
A 1 24  PHE 24  24  24  PHE PHE A . n 
A 1 25  CYS 25  25  25  CYS CYS A . n 
A 1 26  GLY 26  26  26  GLY GLY A . n 
A 1 27  GLY 27  27  27  GLY GLY A . n 
A 1 28  SER 28  28  28  SER SER A . n 
A 1 29  LEU 29  29  29  LEU LEU A . n 
A 1 30  ILE 30  30  30  ILE ILE A . n 
A 1 31  ASN 31  31  31  ASN ASN A . n 
A 1 32  SER 32  32  32  SER SER A . n 
A 1 33  GLN 33  33  33  GLN GLN A . n 
A 1 34  TRP 34  34  34  TRP TRP A . n 
A 1 35  VAL 35  35  35  VAL VAL A . n 
A 1 36  VAL 36  36  36  VAL VAL A . n 
A 1 37  SER 37  37  37  SER SER A . n 
A 1 38  ALA 38  38  38  ALA ALA A . n 
A 1 39  ALA 39  39  39  ALA ALA A . n 
A 1 40  HIS 40  40  40  HIS HIS A . n 
A 1 41  CYS 41  41  41  CYS CYS A . n 
A 1 42  TYR 42  42  42  TYR TYR A . n 
A 1 43  LYS 43  43  43  LYS LYS A . n 
A 1 44  SER 44  44  44  SER SER A . n 
A 1 45  GLY 45  45  45  GLY GLY A . n 
A 1 46  ILE 46  46  46  ILE ILE A . n 
A 1 47  GLN 47  47  47  GLN GLN A . n 
A 1 48  VAL 48  48  48  VAL VAL A . n 
A 1 49  ARG 49  49  49  ARG ARG A . n 
A 1 50  LEU 50  50  50  LEU LEU A . n 
A 1 51  GLY 51  51  51  GLY GLY A . n 
A 1 52  GLU 52  52  52  GLU GLU A . n 
A 1 53  ASP 53  53  53  ASP ASP A . n 
A 1 54  ASN 54  54  54  ASN ASN A . n 
A 1 55  ILE 55  55  55  ILE ILE A . n 
A 1 56  ASN 56  56  56  ASN ASN A . n 
A 1 57  VAL 57  57  57  VAL VAL A . n 
A 1 58  VAL 58  58  58  VAL VAL A . n 
A 1 59  GLU 59  59  59  GLU GLU A . n 
A 1 60  GLY 60  60  60  GLY GLY A . n 
A 1 61  ASN 61  61  61  ASN ASN A . n 
A 1 62  GLU 62  62  62  GLU GLU A . n 
A 1 63  GLN 63  63  63  GLN GLN A . n 
A 1 64  PHE 64  64  64  PHE PHE A . n 
A 1 65  ILE 65  65  65  ILE ILE A . n 
A 1 66  SER 66  66  66  SER SER A . n 
A 1 67  ALA 67  67  67  ALA ALA A . n 
A 1 68  SER 68  68  68  SER SER A . n 
A 1 69  LYS 69  69  69  LYS LYS A . n 
A 1 70  SER 70  70  70  SER SER A . n 
A 1 71  ILE 71  71  71  ILE ILE A . n 
A 1 72  VAL 72  72  72  VAL VAL A . n 
A 1 73  HIS 73  73  73  HIS HIS A . n 
A 1 74  PRO 74  74  74  PRO PRO A . n 
A 1 75  SER 75  75  75  SER SER A . n 
A 1 76  TYR 76  76  76  TYR TYR A . n 
A 1 77  ASN 77  77  77  ASN ASN A . n 
A 1 78  SER 78  78  78  SER SER A . n 
A 1 79  ASN 79  79  79  ASN ASN A . n 
A 1 80  THR 80  80  80  THR THR A . n 
A 1 81  LEU 81  81  81  LEU LEU A . n 
A 1 82  ASN 82  82  82  ASN ASN A . n 
A 1 83  ASN 83  83  83  ASN ASN A . n 
A 1 84  ASP 84  84  84  ASP ASP A . n 
A 1 85  ILE 85  85  85  ILE ILE A . n 
A 1 86  MET 86  86  86  MET MET A . n 
A 1 87  LEU 87  87  87  LEU LEU A . n 
A 1 88  ILE 88  88  88  ILE ILE A . n 
A 1 89  LYS 89  89  89  LYS LYS A . n 
A 1 90  LEU 90  90  90  LEU LEU A . n 
A 1 91  LYS 91  91  91  LYS LYS A . n 
A 1 92  SER 92  92  92  SER SER A . n 
A 1 93  ALA 93  93  93  ALA ALA A . n 
A 1 94  ALA 94  94  94  ALA ALA A . n 
A 1 95  SER 95  95  95  SER SER A . n 
A 1 96  LEU 96  96  96  LEU LEU A . n 
A 1 97  ASN 97  97  97  ASN ASN A . n 
A 1 98  SER 98  98  98  SER SER A . n 
A 1 99  ARG 99  99  99  ARG ARG A . n 
A 1 100 VAL 100 100 100 VAL VAL A . n 
A 1 101 ALA 101 101 101 ALA ALA A . n 
A 1 102 SER 102 102 102 SER SER A . n 
A 1 103 ILE 103 103 103 ILE ILE A . n 
A 1 104 SER 104 104 104 SER SER A . n 
A 1 105 LEU 105 105 105 LEU LEU A . n 
A 1 106 PRO 106 106 106 PRO PRO A . n 
A 1 107 THR 107 107 107 THR THR A . n 
A 1 108 SER 108 108 108 SER SER A . n 
A 1 109 CYS 109 109 109 CYS CYS A . n 
A 1 110 ALA 110 110 110 ALA ALA A . n 
A 1 111 SER 111 111 111 SER SER A . n 
A 1 112 ALA 112 112 112 ALA ALA A . n 
A 1 113 GLY 113 113 113 GLY GLY A . n 
A 1 114 THR 114 114 114 THR THR A . n 
A 1 115 GLN 115 115 115 GLN GLN A . n 
A 1 116 CYS 116 116 116 CYS CYS A . n 
A 1 117 LEU 117 117 117 LEU LEU A . n 
A 1 118 ILE 118 118 118 ILE ILE A . n 
A 1 119 SER 119 119 119 SER SER A . n 
A 1 120 GLY 120 120 120 GLY GLY A . n 
A 1 121 TRP 121 121 121 TRP TRP A . n 
A 1 122 GLY 122 122 122 GLY GLY A . n 
A 1 123 ASN 123 123 123 ASN ASN A . n 
A 1 124 THR 124 124 124 THR THR A . n 
A 1 125 LYS 125 125 125 LYS LYS A . n 
A 1 126 SER 126 126 126 SER SER A . n 
A 1 127 SER 127 127 127 SER SER A . n 
A 1 128 GLY 128 128 128 GLY GLY A . n 
A 1 129 THR 129 129 129 THR THR A . n 
A 1 130 SER 130 130 130 SER SER A . n 
A 1 131 TYR 131 131 131 TYR TYR A . n 
A 1 132 PRO 132 132 132 PRO PRO A . n 
A 1 133 ASP 133 133 133 ASP ASP A . n 
A 1 134 VAL 134 134 134 VAL VAL A . n 
A 1 135 LEU 135 135 135 LEU LEU A . n 
A 1 136 LYS 136 136 136 LYS LYS A . n 
A 1 137 CYS 137 137 137 CYS CYS A . n 
A 1 138 LEU 138 138 138 LEU LEU A . n 
A 1 139 LYS 139 139 139 LYS LYS A . n 
A 1 140 ALA 140 140 140 ALA ALA A . n 
A 1 141 PRO 141 141 141 PRO PRO A . n 
A 1 142 ILE 142 142 142 ILE ILE A . n 
A 1 143 LEU 143 143 143 LEU LEU A . n 
A 1 144 SER 144 144 144 SER SER A . n 
A 1 145 ASP 145 145 145 ASP ASP A . n 
A 1 146 SER 146 146 146 SER SER A . n 
A 1 147 SER 147 147 147 SER SER A . n 
A 1 148 CYS 148 148 148 CYS CYS A . n 
A 1 149 LYS 149 149 149 LYS LYS A . n 
A 1 150 SER 150 150 150 SER SER A . n 
A 1 151 ALA 151 151 151 ALA ALA A . n 
A 1 152 TYR 152 152 152 TYR TYR A . n 
A 1 153 PRO 153 153 153 PRO PRO A . n 
A 1 154 GLY 154 154 154 GLY GLY A . n 
A 1 155 GLN 155 155 155 GLN GLN A . n 
A 1 156 ILE 156 156 156 ILE ILE A . n 
A 1 157 THR 157 157 157 THR THR A . n 
A 1 158 SER 158 158 158 SER SER A . n 
A 1 159 ASN 159 159 159 ASN ASN A . n 
A 1 160 MET 160 160 160 MET MET A . n 
A 1 161 PHE 161 161 161 PHE PHE A . n 
A 1 162 CYS 162 162 162 CYS CYS A . n 
A 1 163 ALA 163 163 163 ALA ALA A . n 
A 1 164 GLY 164 164 164 GLY GLY A . n 
A 1 165 TYR 165 165 165 TYR TYR A . n 
A 1 166 LEU 166 166 166 LEU LEU A . n 
A 1 167 GLU 167 167 167 GLU GLU A . n 
A 1 168 GLY 168 168 168 GLY GLY A . n 
A 1 169 GLY 169 169 169 GLY GLY A . n 
A 1 170 LYS 170 170 170 LYS LYS A . n 
A 1 171 ASP 171 171 171 ASP ASP A . n 
A 1 172 SER 172 172 172 SER SER A . n 
A 1 173 CYS 173 173 173 CYS CYS A . n 
A 1 174 GLN 174 174 174 GLN GLN A . n 
A 1 175 GLY 175 175 175 GLY GLY A . n 
A 1 176 ASP 176 176 176 ASP ASP A . n 
A 1 177 SER 177 177 177 SER SER A . n 
A 1 178 GLY 178 178 178 GLY GLY A . n 
A 1 179 GLY 179 179 179 GLY GLY A . n 
A 1 180 PRO 180 180 180 PRO PRO A . n 
A 1 181 VAL 181 181 181 VAL VAL A . n 
A 1 182 VAL 182 182 182 VAL VAL A . n 
A 1 183 CYS 183 183 183 CYS CYS A . n 
A 1 184 SER 184 184 184 SER SER A . n 
A 1 185 GLY 185 185 185 GLY GLY A . n 
A 1 186 LYS 186 186 186 LYS LYS A . n 
A 1 187 LEU 187 187 187 LEU LEU A . n 
A 1 188 GLN 188 188 188 GLN GLN A . n 
A 1 189 GLY 189 189 189 GLY GLY A . n 
A 1 190 ILE 190 190 190 ILE ILE A . n 
A 1 191 VAL 191 191 191 VAL VAL A . n 
A 1 192 SER 192 192 192 SER SER A . n 
A 1 193 TRP 193 193 193 TRP TRP A . n 
A 1 194 GLY 194 194 194 GLY GLY A . n 
A 1 195 SER 195 195 195 SER SER A . n 
A 1 196 GLY 196 196 196 GLY GLY A . n 
A 1 197 CYS 197 197 197 CYS CYS A . n 
A 1 198 ALA 198 198 198 ALA ALA A . n 
A 1 199 GLN 199 199 199 GLN GLN A . n 
A 1 200 LYS 200 200 200 LYS LYS A . n 
A 1 201 ASN 201 201 201 ASN ASN A . n 
A 1 202 LYS 202 202 202 LYS LYS A . n 
A 1 203 PRO 203 203 203 PRO PRO A . n 
A 1 204 GLY 204 204 204 GLY GLY A . n 
A 1 205 VAL 205 205 205 VAL VAL A . n 
A 1 206 TYR 206 206 206 TYR TYR A . n 
A 1 207 THR 207 207 207 THR THR A . n 
A 1 208 LYS 208 208 208 LYS LYS A . n 
A 1 209 VAL 209 209 209 VAL VAL A . n 
A 1 210 CYS 210 210 210 CYS CYS A . n 
A 1 211 ASN 211 211 211 ASN ASN A . n 
A 1 212 TYR 212 212 212 TYR TYR A . n 
A 1 213 VAL 213 213 213 VAL VAL A . n 
A 1 214 SER 214 214 214 SER SER A . n 
A 1 215 TRP 215 215 215 TRP TRP A . n 
A 1 216 ILE 216 216 216 ILE ILE A . n 
A 1 217 LYS 217 217 217 LYS LYS A . n 
A 1 218 GLN 218 218 218 GLN GLN A . n 
A 1 219 THR 219 219 219 THR THR A . n 
A 1 220 ILE 220 220 220 ILE ILE A . n 
A 1 221 ALA 221 221 221 ALA ALA A . n 
A 1 222 SER 222 222 222 SER SER A . n 
A 1 223 ASN 223 223 223 ASN ASN A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 CA  1   301 224 CA  CA  A . 
C 3 BEN 1   302 225 BEN BEN A . 
D 4 HOH 1   401 104 HOH HOH A . 
D 4 HOH 2   402 123 HOH HOH A . 
D 4 HOH 3   403 182 HOH HOH A . 
D 4 HOH 4   404 107 HOH HOH A . 
D 4 HOH 5   405 63  HOH HOH A . 
D 4 HOH 6   406 58  HOH HOH A . 
D 4 HOH 7   407 144 HOH HOH A . 
D 4 HOH 8   408 111 HOH HOH A . 
D 4 HOH 9   409 41  HOH HOH A . 
D 4 HOH 10  410 12  HOH HOH A . 
D 4 HOH 11  411 49  HOH HOH A . 
D 4 HOH 12  412 10  HOH HOH A . 
D 4 HOH 13  413 139 HOH HOH A . 
D 4 HOH 14  414 86  HOH HOH A . 
D 4 HOH 15  415 180 HOH HOH A . 
D 4 HOH 16  416 169 HOH HOH A . 
D 4 HOH 17  417 157 HOH HOH A . 
D 4 HOH 18  418 62  HOH HOH A . 
D 4 HOH 19  419 47  HOH HOH A . 
D 4 HOH 20  420 179 HOH HOH A . 
D 4 HOH 21  421 87  HOH HOH A . 
D 4 HOH 22  422 50  HOH HOH A . 
D 4 HOH 23  423 119 HOH HOH A . 
D 4 HOH 24  424 171 HOH HOH A . 
D 4 HOH 25  425 68  HOH HOH A . 
D 4 HOH 26  426 83  HOH HOH A . 
D 4 HOH 27  427 93  HOH HOH A . 
D 4 HOH 28  428 140 HOH HOH A . 
D 4 HOH 29  429 27  HOH HOH A . 
D 4 HOH 30  430 152 HOH HOH A . 
D 4 HOH 31  431 84  HOH HOH A . 
D 4 HOH 32  432 163 HOH HOH A . 
D 4 HOH 33  433 11  HOH HOH A . 
D 4 HOH 34  434 33  HOH HOH A . 
D 4 HOH 35  435 29  HOH HOH A . 
D 4 HOH 36  436 31  HOH HOH A . 
D 4 HOH 37  437 141 HOH HOH A . 
D 4 HOH 38  438 15  HOH HOH A . 
D 4 HOH 39  439 72  HOH HOH A . 
D 4 HOH 40  440 178 HOH HOH A . 
D 4 HOH 41  441 106 HOH HOH A . 
D 4 HOH 42  442 74  HOH HOH A . 
D 4 HOH 43  443 28  HOH HOH A . 
D 4 HOH 44  444 154 HOH HOH A . 
D 4 HOH 45  445 78  HOH HOH A . 
D 4 HOH 46  446 76  HOH HOH A . 
D 4 HOH 47  447 1   HOH HOH A . 
D 4 HOH 48  448 52  HOH HOH A . 
D 4 HOH 49  449 88  HOH HOH A . 
D 4 HOH 50  450 190 HOH HOH A . 
D 4 HOH 51  451 59  HOH HOH A . 
D 4 HOH 52  452 82  HOH HOH A . 
D 4 HOH 53  453 4   HOH HOH A . 
D 4 HOH 54  454 101 HOH HOH A . 
D 4 HOH 55  455 181 HOH HOH A . 
D 4 HOH 56  456 142 HOH HOH A . 
D 4 HOH 57  457 3   HOH HOH A . 
D 4 HOH 58  458 14  HOH HOH A . 
D 4 HOH 59  459 48  HOH HOH A . 
D 4 HOH 60  460 45  HOH HOH A . 
D 4 HOH 61  461 36  HOH HOH A . 
D 4 HOH 62  462 174 HOH HOH A . 
D 4 HOH 63  463 156 HOH HOH A . 
D 4 HOH 64  464 128 HOH HOH A . 
D 4 HOH 65  465 22  HOH HOH A . 
D 4 HOH 66  466 98  HOH HOH A . 
D 4 HOH 67  467 54  HOH HOH A . 
D 4 HOH 68  468 35  HOH HOH A . 
D 4 HOH 69  469 5   HOH HOH A . 
D 4 HOH 70  470 132 HOH HOH A . 
D 4 HOH 71  471 19  HOH HOH A . 
D 4 HOH 72  472 79  HOH HOH A . 
D 4 HOH 73  473 159 HOH HOH A . 
D 4 HOH 74  474 148 HOH HOH A . 
D 4 HOH 75  475 167 HOH HOH A . 
D 4 HOH 76  476 13  HOH HOH A . 
D 4 HOH 77  477 23  HOH HOH A . 
D 4 HOH 78  478 77  HOH HOH A . 
D 4 HOH 79  479 18  HOH HOH A . 
D 4 HOH 80  480 51  HOH HOH A . 
D 4 HOH 81  481 80  HOH HOH A . 
D 4 HOH 82  482 125 HOH HOH A . 
D 4 HOH 83  483 71  HOH HOH A . 
D 4 HOH 84  484 38  HOH HOH A . 
D 4 HOH 85  485 60  HOH HOH A . 
D 4 HOH 86  486 53  HOH HOH A . 
D 4 HOH 87  487 16  HOH HOH A . 
D 4 HOH 88  488 114 HOH HOH A . 
D 4 HOH 89  489 9   HOH HOH A . 
D 4 HOH 90  490 56  HOH HOH A . 
D 4 HOH 91  491 7   HOH HOH A . 
D 4 HOH 92  492 57  HOH HOH A . 
D 4 HOH 93  493 116 HOH HOH A . 
D 4 HOH 94  494 102 HOH HOH A . 
D 4 HOH 95  495 37  HOH HOH A . 
D 4 HOH 96  496 105 HOH HOH A . 
D 4 HOH 97  497 94  HOH HOH A . 
D 4 HOH 98  498 69  HOH HOH A . 
D 4 HOH 99  499 44  HOH HOH A . 
D 4 HOH 100 500 24  HOH HOH A . 
D 4 HOH 101 501 2   HOH HOH A . 
D 4 HOH 102 502 170 HOH HOH A . 
D 4 HOH 103 503 175 HOH HOH A . 
D 4 HOH 104 504 8   HOH HOH A . 
D 4 HOH 105 505 108 HOH HOH A . 
D 4 HOH 106 506 46  HOH HOH A . 
D 4 HOH 107 507 137 HOH HOH A . 
D 4 HOH 108 508 135 HOH HOH A . 
D 4 HOH 109 509 97  HOH HOH A . 
D 4 HOH 110 510 32  HOH HOH A . 
D 4 HOH 111 511 150 HOH HOH A . 
D 4 HOH 112 512 73  HOH HOH A . 
D 4 HOH 113 513 151 HOH HOH A . 
D 4 HOH 114 514 64  HOH HOH A . 
D 4 HOH 115 515 21  HOH HOH A . 
D 4 HOH 116 516 162 HOH HOH A . 
D 4 HOH 117 517 110 HOH HOH A . 
D 4 HOH 118 518 34  HOH HOH A . 
D 4 HOH 119 519 6   HOH HOH A . 
D 4 HOH 120 520 42  HOH HOH A . 
D 4 HOH 121 521 96  HOH HOH A . 
D 4 HOH 122 522 130 HOH HOH A . 
D 4 HOH 123 523 99  HOH HOH A . 
D 4 HOH 124 524 100 HOH HOH A . 
D 4 HOH 125 525 103 HOH HOH A . 
D 4 HOH 126 526 89  HOH HOH A . 
D 4 HOH 127 527 40  HOH HOH A . 
D 4 HOH 128 528 66  HOH HOH A . 
D 4 HOH 129 529 122 HOH HOH A . 
D 4 HOH 130 530 90  HOH HOH A . 
D 4 HOH 131 531 43  HOH HOH A . 
D 4 HOH 132 532 147 HOH HOH A . 
D 4 HOH 133 533 25  HOH HOH A . 
D 4 HOH 134 534 26  HOH HOH A . 
D 4 HOH 135 535 134 HOH HOH A . 
D 4 HOH 136 536 95  HOH HOH A . 
D 4 HOH 137 537 131 HOH HOH A . 
D 4 HOH 138 538 91  HOH HOH A . 
D 4 HOH 139 539 75  HOH HOH A . 
D 4 HOH 140 540 17  HOH HOH A . 
D 4 HOH 141 541 138 HOH HOH A . 
D 4 HOH 142 542 133 HOH HOH A . 
D 4 HOH 143 543 70  HOH HOH A . 
D 4 HOH 144 544 155 HOH HOH A . 
D 4 HOH 145 545 20  HOH HOH A . 
D 4 HOH 146 546 121 HOH HOH A . 
D 4 HOH 147 547 67  HOH HOH A . 
D 4 HOH 148 548 117 HOH HOH A . 
D 4 HOH 149 549 113 HOH HOH A . 
D 4 HOH 150 550 127 HOH HOH A . 
D 4 HOH 151 551 30  HOH HOH A . 
D 4 HOH 152 552 39  HOH HOH A . 
D 4 HOH 153 553 85  HOH HOH A . 
D 4 HOH 154 554 112 HOH HOH A . 
D 4 HOH 155 555 126 HOH HOH A . 
D 4 HOH 156 556 160 HOH HOH A . 
D 4 HOH 157 557 192 HOH HOH A . 
D 4 HOH 158 558 92  HOH HOH A . 
D 4 HOH 159 559 118 HOH HOH A . 
D 4 HOH 160 560 136 HOH HOH A . 
D 4 HOH 161 561 186 HOH HOH A . 
D 4 HOH 162 562 185 HOH HOH A . 
D 4 HOH 163 563 172 HOH HOH A . 
D 4 HOH 164 564 146 HOH HOH A . 
D 4 HOH 165 565 61  HOH HOH A . 
D 4 HOH 166 566 109 HOH HOH A . 
D 4 HOH 167 567 129 HOH HOH A . 
D 4 HOH 168 568 143 HOH HOH A . 
D 4 HOH 169 569 165 HOH HOH A . 
D 4 HOH 170 570 183 HOH HOH A . 
D 4 HOH 171 571 149 HOH HOH A . 
D 4 HOH 172 572 166 HOH HOH A . 
D 4 HOH 173 573 120 HOH HOH A . 
D 4 HOH 174 574 187 HOH HOH A . 
D 4 HOH 175 575 191 HOH HOH A . 
D 4 HOH 176 576 158 HOH HOH A . 
D 4 HOH 177 577 184 HOH HOH A . 
D 4 HOH 178 578 145 HOH HOH A . 
D 4 HOH 179 579 161 HOH HOH A . 
D 4 HOH 180 580 65  HOH HOH A . 
D 4 HOH 181 581 164 HOH HOH A . 
D 4 HOH 182 582 153 HOH HOH A . 
D 4 HOH 183 583 177 HOH HOH A . 
D 4 HOH 184 584 189 HOH HOH A . 
D 4 HOH 185 585 124 HOH HOH A . 
D 4 HOH 186 586 176 HOH HOH A . 
D 4 HOH 187 587 55  HOH HOH A . 
D 4 HOH 188 588 81  HOH HOH A . 
D 4 HOH 189 589 173 HOH HOH A . 
D 4 HOH 190 590 115 HOH HOH A . 
D 4 HOH 191 591 193 HOH HOH A . 
D 4 HOH 192 592 188 HOH HOH A . 
D 4 HOH 193 593 168 HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0425 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? SAINT  ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? SCALA  ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9AWM 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     53.866 
_cell.length_a_esd                 ? 
_cell.length_b                     57.041 
_cell.length_b_esd                 ? 
_cell.length_c                     66.720 
_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                         9AWM 
_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                   9AWM 
_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             2.20 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          44.02 
_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                     225 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     CMOS 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'BRUKER PHOTON 100' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-11-06 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.54184 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'BRUKER TURBO X-RAY SOURCE' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.54184 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9AWM 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.499 
_reflns.d_resolution_low                               23.590 
_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                                     33354 
_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                           93.81 
_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                          7.510 
_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                                   0.808 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.5 
_reflns_shell.d_res_low                                     23.58 
_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                             1652 
_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                                  0.808 
_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]                            -0.036 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            0.089 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            -0.053 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               13.447 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.958 
_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                                 9AWM 
_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                            1.499 
_refine.ls_d_res_low                             23.590 
_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                     33354 
_refine.ls_number_reflns_R_free                  1652 
_refine.ls_number_reflns_R_work                  31702 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.073 
_refine.ls_percent_reflns_R_free                 4.953 
_refine.ls_R_factor_all                          0.193 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2186 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1911 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      0.186 
_refine.ls_wR_factor_R_work                      0.160 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.080 
_refine.pdbx_overall_ESU_R_Free                  0.080 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             1.911 
_refine.overall_SU_ML                            0.065 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    0.9571 
_refine.pdbx_average_fsc_free                    0.9522 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.499 
_refine_hist.d_res_low                        23.590 
_refine_hist.number_atoms_solvent             193 
_refine_hist.number_atoms_total               1832 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1629 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         10 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.009  0.012  1669 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1540 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.718  1.758  2263 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.608  1.726  3563 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.717  5.000  222  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.692 5.000  3    ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 1.011  5.000  1    ? r_dihedral_angle_other_2_deg   ? ? 
'X-RAY DIFFRACTION' ? 11.589 10.000 269  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.397 10.000 58   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.089  0.200  254  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  1978 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  366  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.220  0.200  288  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.204  0.200  1384 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.175  0.200  834  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.083  0.200  946  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.323  0.200  113  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.032  0.200  1    ? r_symmetry_xyhbond_nbd_other   ? ? 
'X-RAY DIFFRACTION' ? 0.127  0.200  6    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.162  0.200  16   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.180  0.200  39   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.248  0.200  12   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.491  1.292  891  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.489  1.292  891  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.371  2.319  1112 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.370  2.320  1113 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.379  1.488  778  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.377  1.488  779  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 3.671  2.600  1151 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 3.671  2.599  1151 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.664  17.146 1880 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.421  16.360 1844 ? 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' 1.499 1.538  2454 . 106 2188 93.4800  . 0.419 . . 0.417 . . . . . 0.424 . 20 . 0.864 0.854 0.452 
'X-RAY DIFFRACTION' 1.538 1.580  2372 . 101 2220 97.8499  . 0.380 . . 0.377 . . . . . 0.369 . 20 . 0.889 0.859 0.438 
'X-RAY DIFFRACTION' 1.580 1.625  2330 . 102 2195 98.5837  . 0.331 . . 0.331 . . . . . 0.310 . 20 . 0.912 0.908 0.334 
'X-RAY DIFFRACTION' 1.625 1.675  2239 . 96  2128 99.3301  . 0.285 . . 0.285 . . . . . 0.261 . 20 . 0.939 0.943 0.290 
'X-RAY DIFFRACTION' 1.675 1.730  2177 . 101 2069 99.6785  . 0.254 . . 0.255 . . . . . 0.227 . 20 . 0.952 0.965 0.221 
'X-RAY DIFFRACTION' 1.730 1.790  2143 . 121 2018 99.8133  . 0.218 . . 0.215 . . . . . 0.179 . 20 . 0.967 0.951 0.282 
'X-RAY DIFFRACTION' 1.790 1.857  2037 . 102 1923 99.4109  . 0.203 . . 0.202 . . . . . 0.170 . 20 . 0.972 0.972 0.215 
'X-RAY DIFFRACTION' 1.857 1.933  1964 . 110 1849 99.7454  . 0.176 . . 0.172 . . . . . 0.142 . 20 . 0.980 0.965 0.242 
'X-RAY DIFFRACTION' 1.933 2.018  1898 . 102 1794 99.8946  . 0.163 . . 0.160 . . . . . 0.134 . 20 . 0.983 0.975 0.199 
'X-RAY DIFFRACTION' 2.018 2.116  1814 . 97  1716 99.9449  . 0.152 . . 0.149 . . . . . 0.125 . 20 . 0.986 0.979 0.191 
'X-RAY DIFFRACTION' 2.116 2.229  1736 . 85  1651 100.0000 . 0.148 . . 0.148 . . . . . 0.124 . 20 . 0.986 0.983 0.162 
'X-RAY DIFFRACTION' 2.229 2.363  1644 . 68  1575 99.9392  . 0.136 . . 0.134 . . . . . 0.112 . 20 . 0.989 0.977 0.184 
'X-RAY DIFFRACTION' 2.363 2.525  1558 . 91  1467 100.0000 . 0.146 . . 0.145 . . . . . 0.123 . 20 . 0.987 0.982 0.165 
'X-RAY DIFFRACTION' 2.525 2.724  1451 . 73  1378 100.0000 . 0.161 . . 0.158 . . . . . 0.137 . 20 . 0.984 0.964 0.237 
'X-RAY DIFFRACTION' 2.724 2.980  1339 . 67  1272 100.0000 . 0.175 . . 0.171 . . . . . 0.152 . 20 . 0.981 0.968 0.241 
'X-RAY DIFFRACTION' 2.980 3.325  1228 . 62  1165 99.9186  . 0.162 . . 0.161 . . . . . 0.150 . 20 . 0.983 0.984 0.166 
'X-RAY DIFFRACTION' 3.325 3.827  1101 . 60  1040 99.9092  . 0.152 . . 0.151 . . . . . 0.145 . 20 . 0.985 0.981 0.182 
'X-RAY DIFFRACTION' 3.827 4.657  933  . 42  891  100.0000 . 0.144 . . 0.142 . . . . . 0.139 . 20 . 0.988 0.984 0.170 
'X-RAY DIFFRACTION' 4.657 6.461  752  . 49  703  100.0000 . 0.187 . . 0.187 . . . . . 0.186 . 20 . 0.981 0.981 0.194 
'X-RAY DIFFRACTION' 6.461 23.590 478  . 17  460  99.7908  . 0.200 . . 0.201 . . . . . 0.216 . 20 . 0.973 0.968 0.187 
# 
_struct.entry_id                     9AWM 
_struct.title                        'Crystal structure of trypsin at 225 Kelvin with benzamidine (Triplicate)' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        9AWM 
_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              9AWM 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 223 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00760 
_struct_ref_seq.db_align_beg                  24 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  246 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       223 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0 
_pdbx_struct_oper_list.matrix[1][2]         0.0 
_pdbx_struct_oper_list.matrix[1][3]         0.0 
_pdbx_struct_oper_list.vector[1]            0.0 
_pdbx_struct_oper_list.matrix[2][1]         0.0 
_pdbx_struct_oper_list.matrix[2][2]         1.0 
_pdbx_struct_oper_list.matrix[2][3]         0.0 
_pdbx_struct_oper_list.vector[2]            0.0 
_pdbx_struct_oper_list.matrix[3][1]         0.0 
_pdbx_struct_oper_list.matrix[3][2]         0.0 
_pdbx_struct_oper_list.matrix[3][3]         1.0 
_pdbx_struct_oper_list.vector[3]            0.0 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ALA A 38  ? TYR A 42  ? ALA A 38  TYR A 42  5 ? 5  
HELX_P HELX_P2 AA2 SER A 144 ? TYR A 152 ? SER A 144 TYR A 152 1 ? 9  
HELX_P HELX_P3 AA3 TYR A 212 ? 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 ? ? ? ? ? ? ? 2.048 ? ? 
disulf2 disulf ? ? A CYS 25  SG  ? ? ? 1_555 A CYS 41  SG ? ? A CYS 25  A CYS 41  1_555 ? ? ? ? ? ? ? 2.060 ? ? 
disulf3 disulf ? ? A CYS 109 SG  ? ? ? 1_555 A CYS 210 SG ? ? A CYS 109 A CYS 210 1_555 ? ? ? ? ? ? ? 2.049 ? ? 
disulf4 disulf ? ? A CYS 116 SG  ? ? ? 1_555 A CYS 183 SG ? ? A CYS 116 A CYS 183 1_555 ? ? ? ? ? ? ? 2.017 ? ? 
disulf5 disulf ? ? A CYS 148 SG  ? ? ? 1_555 A CYS 162 SG ? ? A CYS 148 A CYS 162 1_555 ? ? ? ? ? ? ? 2.031 ? ? 
disulf6 disulf ? ? A CYS 173 SG  ? ? ? 1_555 A CYS 197 SG ? ? A CYS 173 A CYS 197 1_555 ? ? ? ? ? ? ? 2.074 ? ? 
metalc1 metalc ? ? A GLU 52  OE1 ? ? ? 1_555 B CA  .   CA ? ? A GLU 52  A CA  301 1_555 ? ? ? ? ? ? ? 2.186 ? ? 
metalc2 metalc ? ? A ASN 54  O   ? ? ? 1_555 B CA  .   CA ? ? A ASN 54  A CA  301 1_555 ? ? ? ? ? ? ? 2.362 ? ? 
metalc3 metalc ? ? A VAL 57  O   ? ? ? 1_555 B CA  .   CA ? ? A VAL 57  A CA  301 1_555 ? ? ? ? ? ? ? 2.309 ? ? 
metalc4 metalc ? ? A GLU 62  OE2 ? ? ? 1_555 B CA  .   CA ? ? A GLU 62  A CA  301 1_555 ? ? ? ? ? ? ? 2.286 ? ? 
metalc5 metalc ? ? B CA  .   CA  ? ? ? 1_555 D HOH .   O  ? ? A CA  301 A HOH 409 1_555 ? ? ? ? ? ? ? 2.335 ? ? 
metalc6 metalc ? ? B CA  .   CA  ? ? ? 1_555 D HOH .   O  ? ? A CA  301 A HOH 495 1_555 ? ? ? ? ? ? ? 2.400 ? ? 
# 
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 88.2  ? 
2  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57  ? 1_555 162.4 ? 
3  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? A VAL 57 ? A VAL 57  ? 1_555 79.2  ? 
4  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 104.9 ? 
5  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 161.1 ? 
6  O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 90.5  ? 
7  OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 409 ? 1_555 86.5  ? 
8  O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 409 ? 1_555 89.1  ? 
9  O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 409 ? 1_555 105.4 ? 
10 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 409 ? 1_555 78.3  ? 
11 OE1 ? A GLU 52 ? A GLU 52  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 495 ? 1_555 81.1  ? 
12 O   ? A ASN 54 ? A ASN 54  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 495 ? 1_555 100.8 ? 
13 O   ? A VAL 57 ? A VAL 57  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 495 ? 1_555 89.2  ? 
14 OE2 ? A GLU 62 ? A GLU 62  ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 495 ? 1_555 94.8  ? 
15 O   ? D HOH .  ? A HOH 409 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O   ? D HOH .  ? A HOH 495 ? 1_555 163.8 ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 7   ? CYS A 137 ? CYS A 7   ? 1_555 CYS A 137 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 25  ? CYS A 41  ? CYS A 25  ? 1_555 CYS A 41  ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 109 ? CYS A 210 ? CYS A 109 ? 1_555 CYS A 210 ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 116 ? CYS A 183 ? CYS A 116 ? 1_555 CYS A 183 ? 1_555 SG SG . . . None 'Disulfide bridge' 
5 CYS A 148 ? CYS A 162 ? CYS A 148 ? 1_555 CYS A 162 ? 1_555 SG SG . . . None 'Disulfide bridge' 
6 CYS A 173 ? CYS A 197 ? CYS A 173 ? 1_555 CYS A 197 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 7 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA2 6 7 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 TYR A 5   ? THR A 6   ? TYR A 5   THR A 6   
AA1 2 LYS A 136 ? PRO A 141 ? LYS A 136 PRO A 141 
AA1 3 GLN A 115 ? GLY A 120 ? GLN A 115 GLY A 120 
AA1 4 PRO A 180 ? CYS A 183 ? PRO A 180 CYS A 183 
AA1 5 LYS A 186 ? TRP A 193 ? LYS A 186 TRP A 193 
AA1 6 GLY A 204 ? LYS A 208 ? GLY A 204 LYS A 208 
AA1 7 MET A 160 ? ALA A 163 ? MET A 160 ALA A 163 
AA2 1 GLN A 15  ? ASN A 19  ? GLN A 15  ASN A 19  
AA2 2 HIS A 23  ? ASN A 31  ? HIS A 23  ASN A 31  
AA2 3 TRP A 34  ? SER A 37  ? TRP A 34  SER A 37  
AA2 4 MET A 86  ? LEU A 90  ? MET A 86  LEU A 90  
AA2 5 GLN A 63  ? VAL A 72  ? GLN A 63  VAL A 72  
AA2 6 GLN A 47  ? LEU A 50  ? GLN A 47  LEU A 50  
AA2 7 GLN A 15  ? ASN A 19  ? GLN A 15  ASN A 19  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N TYR A 5   ? N TYR A 5   O CYS A 137 ? O CYS A 137 
AA1 2 3 O ALA A 140 ? O ALA A 140 N CYS A 116 ? N CYS A 116 
AA1 3 4 N LEU A 117 ? N LEU A 117 O VAL A 182 ? O VAL A 182 
AA1 4 5 N CYS A 183 ? N CYS A 183 O LYS A 186 ? O LYS A 186 
AA1 5 6 N TRP A 193 ? N TRP A 193 O VAL A 205 ? O VAL A 205 
AA1 6 7 O TYR A 206 ? O TYR A 206 N PHE A 161 ? N PHE A 161 
AA2 1 2 N LEU A 18  ? N LEU A 18  O CYS A 25  ? O CYS A 25  
AA2 2 3 N SER A 28  ? N SER A 28  O VAL A 36  ? O VAL A 36  
AA2 3 4 N VAL A 35  ? N VAL A 35  O ILE A 88  ? O ILE A 88  
AA2 4 5 O LYS A 89  ? O LYS A 89  N SER A 68  ? N SER A 68  
AA2 5 6 O GLN A 63  ? O GLN A 63  N LEU A 50  ? N LEU A 50  
AA2 6 7 O ARG A 49  ? O ARG A 49  N SER A 17  ? N SER A 17  
# 
_pdbx_entry_details.entry_id                   9AWM 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    CB 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    SER 
_pdbx_validate_symm_contact.auth_seq_id_1     184 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     416 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   3_545 
_pdbx_validate_symm_contact.dist              2.10 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 TYR A 22  ? ? -172.97 149.32 
2 1 ASP A 53  ? ? -119.53 -75.64 
3 1 SER A 192 ? ? -121.46 -62.96 
4 1 ASN A 201 ? ? 58.90   17.38  
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    ARG 
_pdbx_validate_planes.auth_asym_id    A 
_pdbx_validate_planes.auth_seq_id     49 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.label_alt_id    ? 
_pdbx_validate_planes.rmsd            0.075 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       593 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.47 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
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                    9AWM 
_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]   0.018565 
_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]   0.017531 
_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]   0.014988 
_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   ? 8.330   8.487   13.068  1.000 9.199  0 1   ILE A N   1 ? 
ATOM   2    C  CA  . ILE A 1 1   ? 8.372   7.520   14.200  1.000 9.743  0 1   ILE A CA  1 ? 
ATOM   3    C  C   . ILE A 1 1   ? 9.659   7.780   14.984  1.000 10.239 0 1   ILE A C   1 ? 
ATOM   4    O  O   . ILE A 1 1   ? 10.758  7.696   14.412  1.000 10.260 0 1   ILE A O   1 ? 
ATOM   5    C  CB  . ILE A 1 1   ? 8.367   6.077   13.662  1.000 10.100 0 1   ILE A CB  1 ? 
ATOM   6    C  CG1 . ILE A 1 1   ? 7.157   5.759   12.743  1.000 12.005 0 1   ILE A CG1 1 ? 
ATOM   7    C  CG2 . ILE A 1 1   ? 8.470   5.110   14.849  1.000 10.093 0 1   ILE A CG2 1 ? 
ATOM   8    C  CD1 . ILE A 1 1   ? 5.836   5.637   13.484  1.000 12.180 0 1   ILE A CD1 1 ? 
ATOM   9    N  N   . VAL A 1 2   ? 9.486   8.012   16.286  1.000 10.596 0 2   VAL A N   1 ? 
ATOM   10   C  CA  . VAL A 1 2   ? 10.593  8.244   17.211  1.000 11.029 0 2   VAL A CA  1 ? 
ATOM   11   C  C   . VAL A 1 2   ? 10.800  6.961   18.001  1.000 11.274 0 2   VAL A C   1 ? 
ATOM   12   O  O   . VAL A 1 2   ? 9.854   6.403   18.558  1.000 12.182 0 2   VAL A O   1 ? 
ATOM   13   C  CB  . VAL A 1 2   ? 10.266  9.383   18.186  1.000 12.200 0 2   VAL A CB  1 ? 
ATOM   14   C  CG1 . VAL A 1 2   ? 11.316  9.500   19.285  1.000 13.521 0 2   VAL A CG1 1 ? 
ATOM   15   C  CG2 . VAL A 1 2   ? 9.983   10.731  17.513  1.000 13.092 0 2   VAL A CG2 1 ? 
ATOM   16   N  N   . GLY A 1 3   ? 12.045  6.475   18.014  1.000 12.502 0 3   GLY A N   1 ? 
ATOM   17   C  CA  . GLY A 1 3   ? 12.337  5.284   18.803  1.000 11.844 0 3   GLY A CA  1 ? 
ATOM   18   C  C   . GLY A 1 3   ? 11.850  3.976   18.205  1.000 12.316 0 3   GLY A C   1 ? 
ATOM   19   O  O   . GLY A 1 3   ? 11.706  3.004   18.925  1.000 13.985 0 3   GLY A O   1 ? 
ATOM   20   N  N   . GLY A 1 4   ? 11.684  3.932   16.884  1.000 12.159 0 4   GLY A N   1 ? 
ATOM   21   C  CA  . GLY A 1 4   ? 11.206  2.761   16.192  1.000 11.958 0 4   GLY A CA  1 ? 
ATOM   22   C  C   . GLY A 1 4   ? 12.342  2.024   15.514  1.000 12.818 0 4   GLY A C   1 ? 
ATOM   23   O  O   . GLY A 1 4   ? 13.491  2.179   15.904  1.000 14.848 0 4   GLY A O   1 ? 
ATOM   24   N  N   . TYR A 1 5   ? 11.980  1.205   14.532  1.000 11.121 0 5   TYR A N   1 ? 
ATOM   25   C  CA  . TYR A 1 5   ? 12.921  0.383   13.811  1.000 12.808 0 5   TYR A CA  1 ? 
ATOM   26   C  C   . TYR A 1 5   ? 12.592  0.426   12.329  1.000 12.489 0 5   TYR A C   1 ? 
ATOM   27   O  O   . TYR A 1 5   ? 11.448  0.687   11.915  1.000 11.771 0 5   TYR A O   1 ? 
ATOM   28   C  CB  . TYR A 1 5   ? 12.925  -1.062  14.304  1.000 11.988 0 5   TYR A CB  1 ? 
ATOM   29   C  CG  . TYR A 1 5   ? 11.623  -1.840  14.185  1.000 11.744 0 5   TYR A CG  1 ? 
ATOM   30   C  CD1 . TYR A 1 5   ? 10.559  -1.566  15.030  1.000 12.704 0 5   TYR A CD1 1 ? 
ATOM   31   C  CD2 . TYR A 1 5   ? 11.428  -2.780  13.189  1.000 12.175 0 5   TYR A CD2 1 ? 
ATOM   32   C  CE1 . TYR A 1 5   ? 9.364   -2.251  14.921  1.000 12.224 0 5   TYR A CE1 1 ? 
ATOM   33   C  CE2 . TYR A 1 5   ? 10.226  -3.450  13.055  1.000 12.515 0 5   TYR A CE2 1 ? 
ATOM   34   C  CZ  . TYR A 1 5   ? 9.190   -3.196  13.929  1.000 12.363 0 5   TYR A CZ  1 ? 
ATOM   35   O  OH  . TYR A 1 5   ? 7.987   -3.848  13.862  1.000 15.736 0 5   TYR A OH  1 ? 
ATOM   36   N  N   . THR A 1 6   ? 13.598  0.094   11.526  1.000 13.517 0 6   THR A N   1 ? 
ATOM   37   C  CA  . THR A 1 6   ? 13.403  -0.014  10.083  1.000 13.643 0 6   THR A CA  1 ? 
ATOM   38   C  C   . THR A 1 6   ? 12.530  -1.231  9.783   1.000 12.977 0 6   THR A C   1 ? 
ATOM   39   O  O   . THR A 1 6   ? 12.913  -2.335  10.112  1.000 12.844 0 6   THR A O   1 ? 
ATOM   40   C  CB  . THR A 1 6   ? 14.749  -0.094  9.350   1.000 14.499 0 6   THR A CB  1 ? 
ATOM   41   O  OG1 . THR A 1 6   ? 15.407  1.142   9.615   1.000 15.340 0 6   THR A OG1 1 ? 
ATOM   42   C  CG2 . THR A 1 6   ? 14.553  -0.389  7.872   1.000 16.232 0 6   THR A CG2 1 ? 
ATOM   43   N  N   . CYS A 1 7   ? 11.339  -1.059  9.173   1.000 12.580 0 7   CYS A N   1 ? 
ATOM   44   C  CA  . CYS A 1 7   ? 10.389  -2.139  8.980   1.000 11.990 0 7   CYS A CA  1 ? 
ATOM   45   C  C   . CYS A 1 7   ? 10.961  -3.280  8.139   1.000 13.490 0 7   CYS A C   1 ? 
ATOM   46   O  O   . CYS A 1 7   ? 10.742  -4.463  8.437   1.000 14.323 0 7   CYS A O   1 ? 
ATOM   47   C  CB  . CYS A 1 7   ? 9.132   -1.681  8.253   1.000 11.413 0 7   CYS A CB  1 ? 
ATOM   48   S  SG  . CYS A 1 7   ? 8.278   -0.299  9.046   1.000 9.836  0 7   CYS A SG  1 ? 
ATOM   49   N  N   . GLY A 1 8   ? 11.623  -2.919  7.035   1.000 14.407 0 8   GLY A N   1 ? 
ATOM   50   C  CA  . GLY A 1 8   ? 11.927  -3.890  5.998   1.000 13.928 0 8   GLY A CA  1 ? 
ATOM   51   C  C   . GLY A 1 8   ? 11.045  -3.618  4.792   1.000 14.057 0 8   GLY A C   1 ? 
ATOM   52   O  O   . GLY A 1 8   ? 9.827   -3.412  4.939   1.000 12.265 0 8   GLY A O   1 ? 
ATOM   53   N  N   . ALA A 1 9   ? 11.651  -3.584  3.601   1.000 13.540 0 9   ALA A N   1 ? 
ATOM   54   C  CA  . ALA A 1 9   ? 10.938  -3.229  2.383   1.000 14.285 0 9   ALA A CA  1 ? 
ATOM   55   C  C   . ALA A 1 9   ? 9.674   -4.073  2.199   1.000 14.121 0 9   ALA A C   1 ? 
ATOM   56   O  O   . ALA A 1 9   ? 9.713   -5.316  2.148   1.000 13.707 0 9   ALA A O   1 ? 
ATOM   57   C  CB  . ALA A 1 9   ? 11.872  -3.289  1.172   1.000 15.372 0 9   ALA A CB  1 ? 
ATOM   58   N  N   . ASN A 1 10  ? 8.550   -3.356  2.064   1.000 13.114 0 10  ASN A N   1 ? 
ATOM   59   C  CA  . ASN A 1 10  ? 7.260   -3.927  1.695   1.000 13.512 0 10  ASN A CA  1 ? 
ATOM   60   C  C   . ASN A 1 10  ? 6.745   -4.970  2.696   1.000 13.037 0 10  ASN A C   1 ? 
ATOM   61   O  O   . ASN A 1 10  ? 5.872   -5.754  2.325   1.000 13.737 0 10  ASN A O   1 ? 
ATOM   62   C  CB  . ASN A 1 10  ? 7.315   -4.532  0.289   1.000 14.601 0 10  ASN A CB  1 ? 
ATOM   63   C  CG  . ASN A 1 10  ? 7.852   -3.559  -0.731  1.000 14.737 0 10  ASN A CG  1 ? 
ATOM   64   O  OD1 . ASN A 1 10  ? 8.866   -3.837  -1.377  1.000 15.038 0 10  ASN A OD1 1 ? 
ATOM   65   N  ND2 . ASN A 1 10  ? 7.200   -2.411  -0.892  1.000 14.876 0 10  ASN A ND2 1 ? 
ATOM   66   N  N   . THR A 1 11  ? 7.148   -4.878  3.973   1.000 12.611 0 11  THR A N   1 ? 
ATOM   67   C  CA  . THR A 1 11  ? 6.636   -5.762  5.012   1.000 12.466 0 11  THR A CA  1 ? 
ATOM   68   C  C   . THR A 1 11  ? 5.347   -5.192  5.632   1.000 11.946 0 11  THR A C   1 ? 
ATOM   69   O  O   . THR A 1 11  ? 4.737   -5.832  6.479   1.000 13.245 0 11  THR A O   1 ? 
ATOM   70   C  CB  . THR A 1 11  ? 7.682   -5.997  6.094   1.000 12.585 0 11  THR A CB  1 ? 
ATOM   71   O  OG1 . THR A 1 11  ? 8.001   -4.773  6.732   1.000 12.026 0 11  THR A OG1 1 ? 
ATOM   72   C  CG2 . THR A 1 11  ? 8.939   -6.676  5.585   1.000 14.224 0 11  THR A CG2 1 ? 
ATOM   73   N  N   . VAL A 1 12  ? 4.965   -3.972  5.236   1.000 10.632 0 12  VAL A N   1 ? 
ATOM   74   C  CA  . VAL A 1 12  ? 3.766   -3.278  5.699   1.000 10.224 0 12  VAL A CA  1 ? 
ATOM   75   C  C   . VAL A 1 12  ? 3.020   -2.870  4.426   1.000 10.540 0 12  VAL A C   1 ? 
ATOM   76   O  O   . VAL A 1 12  ? 3.043   -1.698  3.983   1.000 10.823 0 12  VAL A O   1 ? 
ATOM   77   C  CB  . VAL A 1 12  ? 4.049   -2.053  6.612   1.000 11.285 0 12  VAL A CB  1 ? 
ATOM   78   C  CG1 . VAL A 1 12  ? 2.783   -1.531  7.277   1.000 11.048 0 12  VAL A CG1 1 ? 
ATOM   79   C  CG2 . VAL A 1 12  ? 5.089   -2.325  7.695   1.000 11.621 0 12  VAL A CG2 1 ? 
ATOM   80   N  N   . PRO A 1 13  ? 2.426   -3.848  3.699   1.000 11.090 0 13  PRO A N   1 ? 
ATOM   81   C  CA  . PRO A 1 13  ? 2.055   -3.628  2.304   1.000 9.825  0 13  PRO A CA  1 ? 
ATOM   82   C  C   . PRO A 1 13  ? 0.818   -2.765  2.080   1.000 9.251  0 13  PRO A C   1 ? 
ATOM   83   O  O   . PRO A 1 13  ? 0.558   -2.344  0.940   1.000 9.357  0 13  PRO A O   1 ? 
ATOM   84   C  CB  . PRO A 1 13  ? 1.844   -5.070  1.781   1.000 10.227 0 13  PRO A CB  1 ? 
ATOM   85   C  CG  . PRO A 1 13  ? 1.418   -5.802  3.007   1.000 10.237 0 13  PRO A CG  1 ? 
ATOM   86   C  CD  . PRO A 1 13  ? 2.281   -5.254  4.107   1.000 11.271 0 13  PRO A CD  1 ? 
ATOM   87   N  N   . TYR A 1 14  ? 0.114   -2.467  3.185   1.000 9.032  0 14  TYR A N   1 ? 
ATOM   88   C  CA  . TYR A 1 14  ? -1.027  -1.573  3.190   1.000 9.813  0 14  TYR A CA  1 ? 
ATOM   89   C  C   . TYR A 1 14  ? -0.628  -0.116  3.446   1.000 9.509  0 14  TYR A C   1 ? 
ATOM   90   O  O   . TYR A 1 14  ? -1.456  0.768   3.317   1.000 9.041  0 14  TYR A O   1 ? 
ATOM   91   C  CB  . TYR A 1 14  ? -2.082  -2.029  4.195   1.000 9.872  0 14  TYR A CB  1 ? 
ATOM   92   C  CG  . TYR A 1 14  ? -1.479  -2.247  5.571   1.000 10.169 0 14  TYR A CG  1 ? 
ATOM   93   C  CD1 . TYR A 1 14  ? -1.296  -1.201  6.459   1.000 10.524 0 14  TYR A CD1 1 ? 
ATOM   94   C  CD2 . TYR A 1 14  ? -1.035  -3.500  5.981   1.000 11.029 0 14  TYR A CD2 1 ? 
ATOM   95   C  CE1 . TYR A 1 14  ? -0.716  -1.398  7.708   1.000 10.382 0 14  TYR A CE1 1 ? 
ATOM   96   C  CE2 . TYR A 1 14  ? -0.440  -3.702  7.216   1.000 10.234 0 14  TYR A CE2 1 ? 
ATOM   97   C  CZ  . TYR A 1 14  ? -0.301  -2.662  8.096   1.000 11.308 0 14  TYR A CZ  1 ? 
ATOM   98   O  OH  . TYR A 1 14  ? 0.283   -2.832  9.314   1.000 11.297 0 14  TYR A OH  1 ? 
ATOM   99   N  N   . GLN A 1 15  ? 0.638   0.145   3.796   1.000 8.508  0 15  GLN A N   1 ? 
ATOM   100  C  CA  . GLN A 1 15  ? 1.050   1.511   4.081   1.000 8.470  0 15  GLN A CA  1 ? 
ATOM   101  C  C   . GLN A 1 15  ? 1.189   2.295   2.780   1.000 9.146  0 15  GLN A C   1 ? 
ATOM   102  O  O   . GLN A 1 15  ? 1.825   1.831   1.817   1.000 9.566  0 15  GLN A O   1 ? 
ATOM   103  C  CB  . GLN A 1 15  ? 2.415   1.461   4.768   1.000 9.267  0 15  GLN A CB  1 ? 
ATOM   104  C  CG  . GLN A 1 15  ? 3.046   2.838   4.919   1.000 9.537  0 15  GLN A CG  1 ? 
ATOM   105  C  CD  . GLN A 1 15  ? 2.560   3.630   6.118   1.000 10.563 0 15  GLN A CD  1 ? 
ATOM   106  O  OE1 . GLN A 1 15  ? 2.521   3.126   7.241   1.000 10.880 0 15  GLN A OE1 1 ? 
ATOM   107  N  NE2 . GLN A 1 15  ? 2.132   4.863   5.911   1.000 11.765 0 15  GLN A NE2 1 ? 
ATOM   108  N  N   . VAL A 1 16  ? 0.603   3.500   2.722   1.000 9.026  0 16  VAL A N   1 ? 
ATOM   109  C  CA  . VAL A 1 16  ? 0.793   4.356   1.555   1.000 9.774  0 16  VAL A CA  1 ? 
ATOM   110  C  C   . VAL A 1 16  ? 1.432   5.670   1.999   1.000 8.472  0 16  VAL A C   1 ? 
ATOM   111  O  O   . VAL A 1 16  ? 1.360   6.106   3.160   1.000 8.416  0 16  VAL A O   1 ? 
ATOM   112  C  CB  . VAL A 1 16  ? -0.493  4.644   0.748   1.000 12.734 0 16  VAL A CB  1 ? 
ATOM   113  C  CG1 . VAL A 1 16  ? -1.278  3.375   0.424   1.000 14.698 0 16  VAL A CG1 1 ? 
ATOM   114  C  CG2 . VAL A 1 16  ? -1.375  5.608   1.471   1.000 13.928 0 16  VAL A CG2 1 ? 
ATOM   115  N  N   . SER A 1 17  ? 2.060   6.312   1.013   1.000 7.826  0 17  SER A N   1 ? 
ATOM   116  C  CA  . SER A 1 17  ? 2.515   7.688   1.155   1.000 7.359  0 17  SER A CA  1 ? 
ATOM   117  C  C   . SER A 1 17  ? 1.612   8.618   0.343   1.000 7.603  0 17  SER A C   1 ? 
ATOM   118  O  O   . SER A 1 17  ? 1.330   8.297   -0.821  1.000 8.929  0 17  SER A O   1 ? 
ATOM   119  C  CB  . SER A 1 17  ? 3.981   7.801   0.695   1.000 7.197  0 17  SER A CB  1 ? 
ATOM   120  O  OG  . SER A 1 17  ? 4.344   9.179   0.577   1.000 7.538  0 17  SER A OG  1 ? 
ATOM   121  N  N   . LEU A 1 18  ? 1.159   9.718   0.972   1.000 7.459  0 18  LEU A N   1 ? 
ATOM   122  C  CA  . LEU A 1 18  ? 0.463   10.762  0.248   1.000 7.919  0 18  LEU A CA  1 ? 
ATOM   123  C  C   . LEU A 1 18  ? 1.467   11.834  -0.164  1.000 7.906  0 18  LEU A C   1 ? 
ATOM   124  O  O   . LEU A 1 18  ? 2.225   12.359  0.653   1.000 7.786  0 18  LEU A O   1 ? 
ATOM   125  C  CB  . LEU A 1 18  ? -0.704  11.333  1.044   1.000 8.121  0 18  LEU A CB  1 ? 
ATOM   126  C  CG  . LEU A 1 18  ? -1.687  10.335  1.658   1.000 9.373  0 18  LEU A CG  1 ? 
ATOM   127  C  CD1 . LEU A 1 18  ? -2.781  11.056  2.404   1.000 10.198 0 18  LEU A CD1 1 ? 
ATOM   128  C  CD2 . LEU A 1 18  ? -2.279  9.458   0.596   1.000 9.688  0 18  LEU A CD2 1 ? 
ATOM   129  N  N   . ASN A 1 19  ? 1.441   12.171  -1.444  1.000 8.163  0 19  ASN A N   1 ? 
ATOM   130  C  CA  . ASN A 1 19  ? 2.467   13.011  -2.057  1.000 8.262  0 19  ASN A CA  1 ? 
ATOM   131  C  C   . ASN A 1 19  ? 1.805   14.184  -2.755  1.000 8.740  0 19  ASN A C   1 ? 
ATOM   132  O  O   . ASN A 1 19  ? 0.892   13.951  -3.547  1.000 9.729  0 19  ASN A O   1 ? 
ATOM   133  C  CB  . ASN A 1 19  ? 3.286   12.203  -3.052  1.000 8.441  0 19  ASN A CB  1 ? 
ATOM   134  C  CG  . ASN A 1 19  ? 4.445   12.990  -3.629  1.000 8.045  0 19  ASN A CG  1 ? 
ATOM   135  O  OD1 . ASN A 1 19  ? 4.250   13.862  -4.489  1.000 9.883  0 19  ASN A OD1 1 ? 
ATOM   136  N  ND2 . ASN A 1 19  ? 5.669   12.690  -3.209  1.000 8.236  0 19  ASN A ND2 1 ? 
ATOM   137  N  N   . SER A 1 20  ? 2.234   15.412  -2.424  1.000 9.262  0 20  SER A N   1 ? 
ATOM   138  C  CA  . SER A 1 20  ? 1.723   16.583  -3.117  1.000 10.768 0 20  SER A CA  1 ? 
ATOM   139  C  C   . SER A 1 20  ? 2.887   17.388  -3.665  1.000 11.062 0 20  SER A C   1 ? 
ATOM   140  O  O   . SER A 1 20  ? 2.924   18.619  -3.548  1.000 12.398 0 20  SER A O   1 ? 
ATOM   141  C  CB  . SER A 1 20  ? 0.861   17.426  -2.220  1.000 14.222 0 20  SER A CB  1 ? 
ATOM   142  O  OG  . SER A 1 20  ? 1.625   17.895  -1.107  1.000 19.327 0 20  SER A OG  1 ? 
ATOM   143  N  N   . GLY A 1 21  ? 3.812   16.685  -4.303  1.000 9.175  0 21  GLY A N   1 ? 
ATOM   144  C  CA  . GLY A 1 21  ? 5.107   17.228  -4.656  1.000 9.242  0 21  GLY A CA  1 ? 
ATOM   145  C  C   . GLY A 1 21  ? 6.216   16.805  -3.680  1.000 8.912  0 21  GLY A C   1 ? 
ATOM   146  O  O   . GLY A 1 21  ? 7.401   16.984  -3.981  1.000 9.497  0 21  GLY A O   1 ? 
ATOM   147  N  N   . TYR A 1 22  ? 5.815   16.151  -2.574  1.000 8.638  0 22  TYR A N   1 ? 
ATOM   148  C  CA  . TYR A 1 22  ? 6.628   15.751  -1.454  1.000 8.717  0 22  TYR A CA  1 ? 
ATOM   149  C  C   . TYR A 1 22  ? 5.723   14.896  -0.569  1.000 8.522  0 22  TYR A C   1 ? 
ATOM   150  O  O   . TYR A 1 22  ? 4.488   15.043  -0.590  1.000 8.107  0 22  TYR A O   1 ? 
ATOM   151  C  CB  . TYR A 1 22  ? 7.184   16.939  -0.642  1.000 9.483  0 22  TYR A CB  1 ? 
ATOM   152  C  CG  . TYR A 1 22  ? 6.103   17.927  -0.259  1.000 12.043 0 22  TYR A CG  1 ? 
ATOM   153  C  CD1 . TYR A 1 22  ? 5.776   18.993  -1.100  1.000 12.239 0 22  TYR A CD1 1 ? 
ATOM   154  C  CD2 . TYR A 1 22  ? 5.384   17.779  0.916   1.000 14.763 0 22  TYR A CD2 1 ? 
ATOM   155  C  CE1 . TYR A 1 22  ? 4.748   19.868  -0.786  1.000 16.300 0 22  TYR A CE1 1 ? 
ATOM   156  C  CE2 . TYR A 1 22  ? 4.377   18.674  1.247   1.000 15.558 0 22  TYR A CE2 1 ? 
ATOM   157  C  CZ  . TYR A 1 22  ? 4.058   19.706  0.395   1.000 19.244 0 22  TYR A CZ  1 ? 
ATOM   158  O  OH  . TYR A 1 22  ? 3.063   20.596  0.685   1.000 22.775 0 22  TYR A OH  1 ? 
ATOM   159  N  N   . HIS A 1 23  ? 6.327   13.944  0.120   1.000 8.026  0 23  HIS A N   1 ? 
ATOM   160  C  CA  . HIS A 1 23  ? 5.604   13.178  1.136   1.000 8.572  0 23  HIS A CA  1 ? 
ATOM   161  C  C   . HIS A 1 23  ? 5.088   14.095  2.241   1.000 8.579  0 23  HIS A C   1 ? 
ATOM   162  O  O   . HIS A 1 23  ? 5.850   14.878  2.797   1.000 8.577  0 23  HIS A O   1 ? 
ATOM   163  C  CB  . HIS A 1 23  ? 6.490   12.089  1.757   1.000 8.781  0 23  HIS A CB  1 ? 
ATOM   164  C  CG  . HIS A 1 23  ? 5.874   11.437  2.973   1.000 8.889  0 23  HIS A CG  1 ? 
ATOM   165  N  ND1 . HIS A 1 23  ? 4.998   10.368  2.980   1.000 9.141  0 23  HIS A ND1 1 ? 
ATOM   166  C  CD2 . HIS A 1 23  ? 5.940   11.843  4.250   1.000 9.438  0 23  HIS A CD2 1 ? 
ATOM   167  C  CE1 . HIS A 1 23  ? 4.585   10.141  4.213   1.000 9.679  0 23  HIS A CE1 1 ? 
ATOM   168  N  NE2 . HIS A 1 23  ? 5.123   11.029  5.015   1.000 9.045  0 23  HIS A NE2 1 ? 
ATOM   169  N  N   . PHE A 1 24  ? 3.786   13.964  2.634   1.000 8.428  0 24  PHE A N   1 ? 
ATOM   170  C  CA  . PHE A 1 24  ? 3.240   14.877  3.631   1.000 8.165  0 24  PHE A CA  1 ? 
ATOM   171  C  C   . PHE A 1 24  ? 2.378   14.166  4.669   1.000 7.983  0 24  PHE A C   1 ? 
ATOM   172  O  O   . PHE A 1 24  ? 2.147   14.711  5.742   1.000 8.487  0 24  PHE A O   1 ? 
ATOM   173  C  CB  . PHE A 1 24  ? 2.454   16.056  3.037   1.000 8.539  0 24  PHE A CB  1 ? 
ATOM   174  C  CG  . PHE A 1 24  ? 1.150   15.668  2.368   1.000 8.860  0 24  PHE A CG  1 ? 
ATOM   175  C  CD1 . PHE A 1 24  ? -0.014  15.583  3.117   1.000 8.680  0 24  PHE A CD1 1 ? 
ATOM   176  C  CD2 . PHE A 1 24  ? 1.077   15.328  1.017   1.000 8.732  0 24  PHE A CD2 1 ? 
ATOM   177  C  CE1 . PHE A 1 24  ? -1.199  15.197  2.519   1.000 9.400  0 24  PHE A CE1 1 ? 
ATOM   178  C  CE2 . PHE A 1 24  ? -0.124  14.968  0.427   1.000 9.766  0 24  PHE A CE2 1 ? 
ATOM   179  C  CZ  . PHE A 1 24  ? -1.270  14.883  1.184   1.000 9.483  0 24  PHE A CZ  1 ? 
ATOM   180  N  N   . CYS A 1 25  ? 1.956   12.933  4.361   1.000 6.860  0 25  CYS A N   1 ? 
ATOM   181  C  CA  . CYS A 1 25  ? 1.132   12.169  5.289   1.000 7.157  0 25  CYS A CA  1 ? 
ATOM   182  C  C   . CYS A 1 25  ? 1.136   10.705  4.871   1.000 7.332  0 25  CYS A C   1 ? 
ATOM   183  O  O   . CYS A 1 25  ? 1.416   10.346  3.739   1.000 7.112  0 25  CYS A O   1 ? 
ATOM   184  C  CB  . CYS A 1 25  ? -0.339  12.635  5.329   1.000 6.889  0 25  CYS A CB  1 ? 
ATOM   185  S  SG  . CYS A 1 25  ? -0.652  13.959  6.501   1.000 7.832  0 25  CYS A SG  1 ? 
ATOM   186  N  N   . GLY A 1 26  ? 0.763   9.842   5.807   1.000 7.459  0 26  GLY A N   1 ? 
ATOM   187  C  CA  . GLY A 1 26  ? 0.526   8.428   5.536   1.000 7.218  0 26  GLY A CA  1 ? 
ATOM   188  C  C   . GLY A 1 26  ? -0.947  8.141   5.297   1.000 7.644  0 26  GLY A C   1 ? 
ATOM   189  O  O   . GLY A 1 26  ? -1.798  9.034   5.341   1.000 6.863  0 26  GLY A O   1 ? 
ATOM   190  N  N   . GLY A 1 27  ? -1.191  6.882   4.946   1.000 7.152  0 27  GLY A N   1 ? 
ATOM   191  C  CA  . GLY A 1 27  ? -2.530  6.370   4.784   1.000 7.027  0 27  GLY A CA  1 ? 
ATOM   192  C  C   . GLY A 1 27  ? -2.516  4.849   4.747   1.000 7.386  0 27  GLY A C   1 ? 
ATOM   193  O  O   . GLY A 1 27  ? -1.444  4.256   4.745   1.000 8.166  0 27  GLY A O   1 ? 
ATOM   194  N  N   . SER A 1 28  ? -3.710  4.246   4.687   1.000 8.194  0 28  SER A N   1 ? 
ATOM   195  C  CA  . SER A 1 28  ? -3.844  2.787   4.642   1.000 8.492  0 28  SER A CA  1 ? 
ATOM   196  C  C   . SER A 1 28  ? -4.750  2.377   3.489   1.000 8.767  0 28  SER A C   1 ? 
ATOM   197  O  O   . SER A 1 28  ? -5.834  2.915   3.335   1.000 9.309  0 28  SER A O   1 ? 
ATOM   198  C  CB  . SER A 1 28  ? -4.422  2.247   5.949   1.000 8.891  0 28  SER A CB  1 ? 
ATOM   199  O  OG  . SER A 1 28  ? -3.624  2.602   7.075   1.000 9.656  0 28  SER A OG  1 ? 
ATOM   200  N  N   . LEU A 1 29  ? -4.308  1.394   2.717   1.000 8.756  0 29  LEU A N   1 ? 
ATOM   201  C  CA  . LEU A 1 29  ? -5.096  0.872   1.608   1.000 8.978  0 29  LEU A CA  1 ? 
ATOM   202  C  C   . LEU A 1 29  ? -6.101  -0.127  2.174   1.000 9.198  0 29  LEU A C   1 ? 
ATOM   203  O  O   . LEU A 1 29  ? -5.703  -1.126  2.775   1.000 10.417 0 29  LEU A O   1 ? 
ATOM   204  C  CB  . LEU A 1 29  ? -4.167  0.184   0.616   1.000 9.844  0 29  LEU A CB  1 ? 
ATOM   205  C  CG  . LEU A 1 29  ? -4.809  -0.287  -0.689  1.000 11.100 0 29  LEU A CG  1 ? 
ATOM   206  C  CD1 . LEU A 1 29  ? -5.135  0.902   -1.567  1.000 11.244 0 29  LEU A CD1 1 ? 
ATOM   207  C  CD2 . LEU A 1 29  ? -3.909  -1.240  -1.461  1.000 12.246 0 29  LEU A CD2 1 ? 
ATOM   208  N  N   . ILE A 1 30  ? -7.400  0.117   1.961   1.000 9.706  0 30  ILE A N   1 ? 
ATOM   209  C  CA  . ILE A 1 30  ? -8.444  -0.737  2.500   1.000 11.245 0 30  ILE A CA  1 ? 
ATOM   210  C  C   . ILE A 1 30  ? -9.150  -1.583  1.436   1.000 12.590 0 30  ILE A C   1 ? 
ATOM   211  O  O   . ILE A 1 30  ? -9.826  -2.547  1.805   1.000 12.110 0 30  ILE A O   1 ? 
ATOM   212  C  CB  . ILE A 1 30  ? -9.427  0.076   3.349   1.000 13.404 0 30  ILE A CB  1 ? 
ATOM   213  C  CG1 . ILE A 1 30  ? -10.123 1.155   2.564   1.000 13.852 0 30  ILE A CG1 1 ? 
ATOM   214  C  CG2 . ILE A 1 30  ? -8.679  0.599   4.573   1.000 13.155 0 30  ILE A CG2 1 ? 
ATOM   215  C  CD1 . ILE A 1 30  ? -11.433 1.607   3.211   1.000 15.946 0 30  ILE A CD1 1 ? 
ATOM   216  N  N   . ASN A 1 31  ? -9.036  -1.222  0.153   1.000 12.722 0 31  ASN A N   1 ? 
ATOM   217  C  CA  . ASN A 1 31  ? -9.301  -2.134  -0.952  1.000 14.263 0 31  ASN A CA  1 ? 
ATOM   218  C  C   . ASN A 1 31  ? -8.583  -1.601  -2.187  1.000 14.131 0 31  ASN A C   1 ? 
ATOM   219  O  O   . ASN A 1 31  ? -7.794  -0.670  -2.080  1.000 14.109 0 31  ASN A O   1 ? 
ATOM   220  C  CB  . ASN A 1 31  ? -10.797 -2.340  -1.159  1.000 16.497 0 31  ASN A CB  1 ? 
ATOM   221  C  CG  . ASN A 1 31  ? -11.516 -1.100  -1.636  1.000 20.041 0 31  ASN A CG  1 ? 
ATOM   222  O  OD1 . ASN A 1 31  ? -10.937 -0.210  -2.255  1.000 16.835 0 31  ASN A OD1 1 ? 
ATOM   223  N  ND2 . ASN A 1 31  ? -12.828 -1.091  -1.477  1.000 25.718 0 31  ASN A ND2 1 ? 
ATOM   224  N  N   . SER A 1 32  ? -8.845  -2.152  -3.380  1.000 13.730 0 32  SER A N   1 ? 
ATOM   225  C  CA  . SER A 1 32  ? -8.053  -1.753  -4.528  1.000 13.826 0 32  SER A CA  1 ? 
ATOM   226  C  C   . SER A 1 32  ? -8.259  -0.290  -4.933  1.000 13.793 0 32  SER A C   1 ? 
ATOM   227  O  O   . SER A 1 32  ? -7.414  0.237   -5.628  1.000 15.455 0 32  SER A O   1 ? 
ATOM   228  C  CB  . SER A 1 32  ? -8.275  -2.669  -5.713  1.000 13.538 0 32  SER A CB  1 ? 
ATOM   229  O  OG  . SER A 1 32  ? -9.594  -2.523  -6.189  1.000 14.610 0 32  SER A OG  1 ? 
ATOM   230  N  N   . GLN A 1 33  ? -9.309  0.385   -4.466  1.000 12.335 0 33  GLN A N   1 ? 
ATOM   231  C  CA  . GLN A 1 33  ? -9.608  1.721   -4.938  1.000 13.503 0 33  GLN A CA  1 ? 
ATOM   232  C  C   . GLN A 1 33  ? -9.718  2.766   -3.849  1.000 11.744 0 33  GLN A C   1 ? 
ATOM   233  O  O   . GLN A 1 33  ? -9.929  3.931   -4.198  1.000 10.273 0 33  GLN A O   1 ? 
ATOM   234  C  CB  . GLN A 1 33  ? -10.996 1.690   -5.575  1.000 17.713 0 33  GLN A CB  1 ? 
ATOM   235  C  CG  . GLN A 1 33  ? -11.059 0.864   -6.851  1.000 24.191 0 33  GLN A CG  1 ? 
ATOM   236  C  CD  . GLN A 1 33  ? -12.418 0.991   -7.496  1.000 29.579 0 33  GLN A CD  1 ? 
ATOM   237  O  OE1 . GLN A 1 33  ? -13.386 0.316   -7.120  1.000 34.536 0 33  GLN A OE1 1 ? 
ATOM   238  N  NE2 . GLN A 1 33  ? -12.499 1.920   -8.428  1.000 30.123 0 33  GLN A NE2 1 ? 
ATOM   239  N  N   . TRP A 1 34  ? -9.516  2.385   -2.579  1.000 9.823  0 34  TRP A N   1 ? 
ATOM   240  C  CA  . TRP A 1 34  ? -9.751  3.303   -1.483  1.000 10.020 0 34  TRP A CA  1 ? 
ATOM   241  C  C   . TRP A 1 34  ? -8.635  3.271   -0.442  1.000 9.301  0 34  TRP A C   1 ? 
ATOM   242  O  O   . TRP A 1 34  ? -8.186  2.213   -0.027  1.000 7.953  0 34  TRP A O   1 ? 
ATOM   243  C  CB  . TRP A 1 34  ? -11.077 2.991   -0.796  1.000 9.960  0 34  TRP A CB  1 ? 
ATOM   244  C  CG  . TRP A 1 34  ? -12.288 3.316   -1.628  1.000 10.933 0 34  TRP A CG  1 ? 
ATOM   245  C  CD1 . TRP A 1 34  ? -12.951 2.513   -2.512  1.000 11.666 0 34  TRP A CD1 1 ? 
ATOM   246  C  CD2 . TRP A 1 34  ? -12.980 4.586   -1.671  1.000 11.248 0 34  TRP A CD2 1 ? 
ATOM   247  N  NE1 . TRP A 1 34  ? -13.994 3.188   -3.086  1.000 11.389 0 34  TRP A NE1 1 ? 
ATOM   248  C  CE2 . TRP A 1 34  ? -14.051 4.458   -2.581  1.000 11.702 0 34  TRP A CE2 1 ? 
ATOM   249  C  CE3 . TRP A 1 34  ? -12.818 5.804   -1.015  1.000 11.607 0 34  TRP A CE3 1 ? 
ATOM   250  C  CZ2 . TRP A 1 34  ? -14.914 5.509   -2.867  1.000 12.676 0 34  TRP A CZ2 1 ? 
ATOM   251  C  CZ3 . TRP A 1 34  ? -13.699 6.833   -1.260  1.000 12.676 0 34  TRP A CZ3 1 ? 
ATOM   252  C  CH2 . TRP A 1 34  ? -14.736 6.697   -2.200  1.000 12.587 0 34  TRP A CH2 1 ? 
ATOM   253  N  N   . VAL A 1 35  ? -8.330  4.465   0.068   1.000 8.779  0 35  VAL A N   1 ? 
ATOM   254  C  CA  . VAL A 1 35  ? -7.338  4.692   1.115   1.000 9.330  0 35  VAL A CA  1 ? 
ATOM   255  C  C   . VAL A 1 35  ? -8.017  5.437   2.257   1.000 8.936  0 35  VAL A C   1 ? 
ATOM   256  O  O   . VAL A 1 35  ? -8.843  6.342   2.018   1.000 9.607  0 35  VAL A O   1 ? 
ATOM   257  C  CB  . VAL A 1 35  ? -6.163  5.507   0.559   1.000 9.509  0 35  VAL A CB  1 ? 
ATOM   258  C  CG1 . VAL A 1 35  ? -5.340  6.135   1.663   1.000 9.842  0 35  VAL A CG1 1 ? 
ATOM   259  C  CG2 . VAL A 1 35  ? -5.319  4.680   -0.404  1.000 9.838  0 35  VAL A CG2 1 ? 
ATOM   260  N  N   . VAL A 1 36  ? -7.657  5.069   3.485   1.000 8.946  0 36  VAL A N   1 ? 
ATOM   261  C  CA  . VAL A 1 36  ? -8.083  5.811   4.674   1.000 9.050  0 36  VAL A CA  1 ? 
ATOM   262  C  C   . VAL A 1 36  ? -6.896  6.628   5.195   1.000 9.148  0 36  VAL A C   1 ? 
ATOM   263  O  O   . VAL A 1 36  ? -5.784  6.094   5.292   1.000 8.490  0 36  VAL A O   1 ? 
ATOM   264  C  CB  . VAL A 1 36  ? -8.532  4.845   5.791   1.000 11.599 0 36  VAL A CB  1 ? 
ATOM   265  C  CG1 . VAL A 1 36  ? -8.799  5.612   7.093   1.000 15.007 0 36  VAL A CG1 1 ? 
ATOM   266  C  CG2 . VAL A 1 36  ? -9.800  4.105   5.416   1.000 14.083 0 36  VAL A CG2 1 ? 
ATOM   267  N  N   . SER A 1 37  ? -7.146  7.910   5.512   1.000 8.244  0 37  SER A N   1 ? 
ATOM   268  C  CA  . SER A 1 37  ? -6.138  8.734   6.148   1.000 7.532  0 37  SER A CA  1 ? 
ATOM   269  C  C   . SER A 1 37  ? -6.801  9.631   7.196   1.000 7.506  0 37  SER A C   1 ? 
ATOM   270  O  O   . SER A 1 37  ? -7.936  9.383   7.591   1.000 7.825  0 37  SER A O   1 ? 
ATOM   271  C  CB  . SER A 1 37  ? -5.348  9.458   5.048   1.000 7.452  0 37  SER A CB  1 ? 
ATOM   272  O  OG  . SER A 1 37  ? -4.261  10.229  5.577   1.000 7.743  0 37  SER A OG  1 ? 
ATOM   273  N  N   . ALA A 1 38  ? -6.064  10.652  7.670   1.000 6.829  0 38  ALA A N   1 ? 
ATOM   274  C  CA  . ALA A 1 38  ? -6.570  11.619  8.639   1.000 7.304  0 38  ALA A CA  1 ? 
ATOM   275  C  C   . ALA A 1 38  ? -7.168  12.787  7.874   1.000 7.723  0 38  ALA A C   1 ? 
ATOM   276  O  O   . ALA A 1 38  ? -6.611  13.225  6.862   1.000 8.110  0 38  ALA A O   1 ? 
ATOM   277  C  CB  . ALA A 1 38  ? -5.449  12.106  9.505   1.000 7.108  0 38  ALA A CB  1 ? 
ATOM   278  N  N   . ALA A 1 39  ? -8.283  13.328  8.377   1.000 7.473  0 39  ALA A N   1 ? 
ATOM   279  C  CA  . ALA A 1 39  ? -8.863  14.503  7.751   1.000 7.042  0 39  ALA A CA  1 ? 
ATOM   280  C  C   . ALA A 1 39  ? -7.927  15.712  7.838   1.000 7.493  0 39  ALA A C   1 ? 
ATOM   281  O  O   . ALA A 1 39  ? -7.936  16.546  6.933   1.000 8.262  0 39  ALA A O   1 ? 
ATOM   282  C  CB  . ALA A 1 39  ? -10.162 14.863  8.451   1.000 7.309  0 39  ALA A CB  1 ? 
ATOM   283  N  N   . HIS A 1 40  ? -7.105  15.800  8.888   1.000 7.648  0 40  HIS A N   1 ? 
ATOM   284  C  CA  . HIS A 1 40  ? -6.181  16.934  8.960   1.000 8.371  0 40  HIS A CA  1 ? 
ATOM   285  C  C   . HIS A 1 40  ? -5.051  16.840  7.925   1.000 8.758  0 40  HIS A C   1 ? 
ATOM   286  O  O   . HIS A 1 40  ? -4.299  17.807  7.792   1.000 9.402  0 40  HIS A O   1 ? 
ATOM   287  C  CB  . HIS A 1 40  ? -5.603  17.130  10.354  1.000 9.316  0 40  HIS A CB  1 ? 
ATOM   288  C  CG  . HIS A 1 40  ? -4.452  16.269  10.726  1.000 8.847  0 40  HIS A CG  1 ? 
ATOM   289  N  ND1 . HIS A 1 40  ? -4.507  15.084  11.443  1.000 9.069  0 40  HIS A ND1 1 ? 
ATOM   290  C  CD2 . HIS A 1 40  ? -3.149  16.524  10.522  1.000 10.218 0 40  HIS A CD2 1 ? 
ATOM   291  C  CE1 . HIS A 1 40  ? -3.255  14.635  11.640  1.000 10.345 0 40  HIS A CE1 1 ? 
ATOM   292  N  NE2 . HIS A 1 40  ? -2.415  15.522  11.112  1.000 9.695  0 40  HIS A NE2 1 ? 
ATOM   293  N  N   . CYS A 1 41  ? -5.000  15.753  7.142   1.000 8.881  0 41  CYS A N   1 ? 
ATOM   294  C  CA  . CYS A 1 41  ? -4.060  15.575  6.035   1.000 10.257 0 41  CYS A CA  1 ? 
ATOM   295  C  C   . CYS A 1 41  ? -4.672  16.077  4.715   1.000 11.634 0 41  CYS A C   1 ? 
ATOM   296  O  O   . CYS A 1 41  ? -4.067  15.978  3.652   1.000 13.338 0 41  CYS A O   1 ? 
ATOM   297  C  CB  . CYS A 1 41  ? -3.662  14.110  5.865   1.000 9.505  0 41  CYS A CB  1 ? 
ATOM   298  S  SG  . CYS A 1 41  ? -2.546  13.488  7.159   1.000 9.183  0 41  CYS A SG  1 ? 
ATOM   299  N  N   . TYR A 1 42  ? -5.921  16.543  4.736   1.000 11.783 0 42  TYR A N   1 ? 
ATOM   300  C  CA  . TYR A 1 42  ? -6.536  17.002  3.508   1.000 11.975 0 42  TYR A CA  1 ? 
ATOM   301  C  C   . TYR A 1 42  ? -5.660  18.009  2.754   1.000 11.237 0 42  TYR A C   1 ? 
ATOM   302  O  O   . TYR A 1 42  ? -5.218  18.997  3.328   1.000 10.982 0 42  TYR A O   1 ? 
ATOM   303  C  CB  . TYR A 1 42  ? -7.896  17.655  3.798   1.000 11.900 0 42  TYR A CB  1 ? 
ATOM   304  C  CG  . TYR A 1 42  ? -8.354  18.389  2.547   1.000 13.002 0 42  TYR A CG  1 ? 
ATOM   305  C  CD1 . TYR A 1 42  ? -8.923  17.722  1.473   1.000 15.327 0 42  TYR A CD1 1 ? 
ATOM   306  C  CD2 . TYR A 1 42  ? -8.076  19.732  2.428   1.000 16.131 0 42  TYR A CD2 1 ? 
ATOM   307  C  CE1 . TYR A 1 42  ? -9.261  18.416  0.306   1.000 16.512 0 42  TYR A CE1 1 ? 
ATOM   308  C  CE2 . TYR A 1 42  ? -8.384  20.424  1.274   1.000 17.214 0 42  TYR A CE2 1 ? 
ATOM   309  C  CZ  . TYR A 1 42  ? -8.968  19.764  0.215   1.000 16.192 0 42  TYR A CZ  1 ? 
ATOM   310  O  OH  . TYR A 1 42  ? -9.231  20.574  -0.865  1.000 20.390 0 42  TYR A OH  1 ? 
ATOM   311  N  N   . LYS A 1 43  ? -5.473  17.769  1.454   1.000 12.290 0 43  LYS A N   1 ? 
ATOM   312  C  CA  . LYS A 1 43  ? -5.149  18.837  0.517   1.000 15.321 0 43  LYS A CA  1 ? 
ATOM   313  C  C   . LYS A 1 43  ? -5.626  18.469  -0.883  1.000 13.364 0 43  LYS A C   1 ? 
ATOM   314  O  O   . LYS A 1 43  ? -6.075  17.367  -1.121  1.000 13.306 0 43  LYS A O   1 ? 
ATOM   315  C  CB  . LYS A 1 43  ? -3.688  19.263  0.529   1.000 21.879 0 43  LYS A CB  1 ? 
ATOM   316  C  CG  . LYS A 1 43  ? -2.690  18.190  0.299   1.000 25.088 0 43  LYS A CG  1 ? 
ATOM   317  C  CD  . LYS A 1 43  ? -1.263  18.683  0.553   1.000 27.347 0 43  LYS A CD  1 ? 
ATOM   318  C  CE  . LYS A 1 43  ? -1.013  18.907  1.971   1.000 32.646 0 43  LYS A CE  1 ? 
ATOM   319  N  NZ  . LYS A 1 43  ? 0.333   19.438  2.167   1.000 37.474 0 43  LYS A NZ  1 ? 
ATOM   320  N  N   . SER A 1 44  ? -5.625  19.448  -1.795  1.000 15.487 0 44  SER A N   1 ? 
ATOM   321  C  CA  . SER A 1 44  ? -5.945  19.180  -3.188  1.000 17.759 0 44  SER A CA  1 ? 
ATOM   322  C  C   . SER A 1 44  ? -4.658  18.648  -3.834  1.000 17.802 0 44  SER A C   1 ? 
ATOM   323  O  O   . SER A 1 44  ? -3.596  18.803  -3.279  1.000 23.330 0 44  SER A O   1 ? 
ATOM   324  C  CB  . SER A 1 44  ? -6.484  20.441  -3.833  1.000 20.441 0 44  SER A CB  1 ? 
ATOM   325  O  OG  . SER A 1 44  ? -5.507  21.444  -3.745  1.000 20.279 0 44  SER A OG  1 ? 
ATOM   326  N  N   . GLY A 1 45  ? -4.764  17.905  -4.918  1.000 23.955 0 45  GLY A N   1 ? 
ATOM   327  C  CA  . GLY A 1 45  ? -3.611  17.464  -5.666  1.000 22.110 0 45  GLY A CA  1 ? 
ATOM   328  C  C   . GLY A 1 45  ? -2.850  16.339  -4.957  1.000 23.077 0 45  GLY A C   1 ? 
ATOM   329  O  O   . GLY A 1 45  ? -1.622  16.393  -4.860  1.000 27.774 0 45  GLY A O   1 ? 
ATOM   330  N  N   . ILE A 1 46  ? -3.572  15.321  -4.503  1.000 15.349 0 46  ILE A N   1 ? 
ATOM   331  C  CA  . ILE A 1 46  ? -2.930  14.190  -3.846  1.000 12.700 0 46  ILE A CA  1 ? 
ATOM   332  C  C   . ILE A 1 46  ? -2.612  13.124  -4.881  1.000 11.372 0 46  ILE A C   1 ? 
ATOM   333  O  O   . ILE A 1 46  ? -3.475  12.775  -5.675  1.000 12.850 0 46  ILE A O   1 ? 
ATOM   334  C  CB  . ILE A 1 46  ? -3.834  13.631  -2.737  1.000 12.414 0 46  ILE A CB  1 ? 
ATOM   335  C  CG1 . ILE A 1 46  ? -4.055  14.694  -1.682  1.000 13.453 0 46  ILE A CG1 1 ? 
ATOM   336  C  CG2 . ILE A 1 46  ? -3.243  12.366  -2.117  1.000 12.112 0 46  ILE A CG2 1 ? 
ATOM   337  C  CD1 . ILE A 1 46  ? -4.973  14.282  -0.554  1.000 15.006 0 46  ILE A CD1 1 ? 
ATOM   338  N  N   . GLN A 1 47  ? -1.368  12.612  -4.845  1.000 10.005 0 47  GLN A N   1 ? 
ATOM   339  C  CA  . GLN A 1 47  ? -1.008  11.372  -5.504  1.000 9.587  0 47  GLN A CA  1 ? 
ATOM   340  C  C   . GLN A 1 47  ? -0.716  10.333  -4.428  1.000 9.649  0 47  GLN A C   1 ? 
ATOM   341  O  O   . GLN A 1 47  ? 0.050   10.575  -3.490  1.000 10.675 0 47  GLN A O   1 ? 
ATOM   342  C  CB  . GLN A 1 47  ? 0.242   11.551  -6.358  1.000 10.304 0 47  GLN A CB  1 ? 
ATOM   343  C  CG  . GLN A 1 47  ? 0.600   10.360  -7.221  1.000 11.392 0 47  GLN A CG  1 ? 
ATOM   344  C  CD  . GLN A 1 47  ? 1.914   10.551  -7.941  1.000 12.841 0 47  GLN A CD  1 ? 
ATOM   345  O  OE1 . GLN A 1 47  ? 2.955   10.690  -7.313  1.000 14.874 0 47  GLN A OE1 1 ? 
ATOM   346  N  NE2 . GLN A 1 47  ? 1.865   10.577  -9.261  1.000 15.165 0 47  GLN A NE2 1 ? 
ATOM   347  N  N   . VAL A 1 48  ? -1.297  9.158   -4.596  1.000 8.751  0 48  VAL A N   1 ? 
ATOM   348  C  CA  . VAL A 1 48  ? -1.130  8.094   -3.626  1.000 8.591  0 48  VAL A CA  1 ? 
ATOM   349  C  C   . VAL A 1 48  ? 0.007   7.216   -4.134  1.000 9.153  0 48  VAL A C   1 ? 
ATOM   350  O  O   . VAL A 1 48  ? -0.004  6.807   -5.292  1.000 10.106 0 48  VAL A O   1 ? 
ATOM   351  C  CB  . VAL A 1 48  ? -2.449  7.311   -3.484  1.000 9.685  0 48  VAL A CB  1 ? 
ATOM   352  C  CG1 . VAL A 1 48  ? -2.302  6.078   -2.635  1.000 10.213 0 48  VAL A CG1 1 ? 
ATOM   353  C  CG2 . VAL A 1 48  ? -3.565  8.200   -2.975  1.000 9.797  0 48  VAL A CG2 1 ? 
ATOM   354  N  N   . ARG A 1 49  ? 0.997   6.931   -3.258  1.000 8.972  0 49  ARG A N   1 ? 
ATOM   355  C  CA  . ARG A 1 49  ? 2.141   6.097   -3.603  1.000 8.481  0 49  ARG A CA  1 ? 
ATOM   356  C  C   . ARG A 1 49  ? 2.104   4.800   -2.803  1.000 8.796  0 49  ARG A C   1 ? 
ATOM   357  O  O   . ARG A 1 49  ? 2.180   4.820   -1.585  1.000 9.725  0 49  ARG A O   1 ? 
ATOM   358  C  CB  . ARG A 1 49  ? 3.400   6.926   -3.361  1.000 8.197  0 49  ARG A CB  1 ? 
ATOM   359  C  CG  . ARG A 1 49  ? 3.441   8.097   -4.337  1.000 8.536  0 49  ARG A CG  1 ? 
ATOM   360  C  CD  . ARG A 1 49  ? 4.759   8.816   -4.303  1.000 8.168  0 49  ARG A CD  1 ? 
ATOM   361  N  NE  . ARG A 1 49  ? 4.816   9.796   -5.389  1.000 8.391  0 49  ARG A NE  1 ? 
ATOM   362  C  CZ  . ARG A 1 49  ? 5.907   10.208  -6.022  1.000 10.452 0 49  ARG A CZ  1 ? 
ATOM   363  N  NH1 . ARG A 1 49  ? 7.087   9.982   -5.473  1.000 11.520 0 49  ARG A NH1 1 ? 
ATOM   364  N  NH2 . ARG A 1 49  ? 5.794   10.863  -7.186  1.000 10.368 0 49  ARG A NH2 1 ? 
ATOM   365  N  N   . LEU A 1 50  ? 1.950   3.695   -3.517  1.000 8.903  0 50  LEU A N   1 ? 
ATOM   366  C  CA  . LEU A 1 50  ? 1.828   2.381   -2.922  1.000 9.930  0 50  LEU A CA  1 ? 
ATOM   367  C  C   . LEU A 1 50  ? 3.115   1.618   -3.206  1.000 9.835  0 50  LEU A C   1 ? 
ATOM   368  O  O   . LEU A 1 50  ? 3.814   1.931   -4.183  1.000 9.992  0 50  LEU A O   1 ? 
ATOM   369  C  CB  . LEU A 1 50  ? 0.648   1.660   -3.577  1.000 10.866 0 50  LEU A CB  1 ? 
ATOM   370  C  CG  . LEU A 1 50  ? -0.717  2.359   -3.552  1.000 14.363 0 50  LEU A CG  1 ? 
ATOM   371  C  CD1 . LEU A 1 50  ? -0.903  3.334   -4.689  1.000 17.497 0 50  LEU A CD1 1 ? 
ATOM   372  C  CD2 . LEU A 1 50  ? -1.815  1.330   -3.647  1.000 20.245 0 50  LEU A CD2 1 ? 
ATOM   373  N  N   . GLY A 1 51  ? 3.390   0.594   -2.406  1.000 8.844  0 51  GLY A N   1 ? 
ATOM   374  C  CA  . GLY A 1 51  ? 4.560   -0.254  -2.639  1.000 9.044  0 51  GLY A CA  1 ? 
ATOM   375  C  C   . GLY A 1 51  ? 5.883   0.443   -2.364  1.000 9.280  0 51  GLY A C   1 ? 
ATOM   376  O  O   . GLY A 1 51  ? 6.932   -0.035  -2.806  1.000 11.004 0 51  GLY A O   1 ? 
ATOM   377  N  N   . GLU A 1 52  ? 5.834   1.548   -1.613  1.000 9.206  0 52  GLU A N   1 ? 
ATOM   378  C  CA  . GLU A 1 52  ? 7.013   2.311   -1.229  1.000 8.503  0 52  GLU A CA  1 ? 
ATOM   379  C  C   . GLU A 1 52  ? 7.791   1.678   -0.072  1.000 8.928  0 52  GLU A C   1 ? 
ATOM   380  O  O   . GLU A 1 52  ? 7.255   1.219   0.947   1.000 8.368  0 52  GLU A O   1 ? 
ATOM   381  C  CB  . GLU A 1 52  ? 6.643   3.723   -0.792  1.000 9.360  0 52  GLU A CB  1 ? 
ATOM   382  C  CG  . GLU A 1 52  ? 6.234   4.630   -1.951  1.000 9.418  0 52  GLU A CG  1 ? 
ATOM   383  C  CD  . GLU A 1 52  ? 7.417   5.118   -2.762  1.000 9.616  0 52  GLU A CD  1 ? 
ATOM   384  O  OE1 . GLU A 1 52  ? 8.542   4.545   -2.647  1.000 9.361  0 52  GLU A OE1 1 ? 
ATOM   385  O  OE2 . GLU A 1 52  ? 7.147   6.131   -3.447  1.000 11.369 0 52  GLU A OE2 1 ? 
ATOM   386  N  N   . ASP A 1 53  ? 9.121   1.776   -0.202  1.000 8.761  0 53  ASP A N   1 ? 
ATOM   387  C  CA  . ASP A 1 53  ? 10.005  1.691   0.946   1.000 9.634  0 53  ASP A CA  1 ? 
ATOM   388  C  C   . ASP A 1 53  ? 10.803  2.977   1.086   1.000 9.223  0 53  ASP A C   1 ? 
ATOM   389  O  O   . ASP A 1 53  ? 10.464  3.795   1.919   1.000 9.922  0 53  ASP A O   1 ? 
ATOM   390  C  CB  . ASP A 1 53  ? 10.954  0.518   0.982   1.000 10.014 0 53  ASP A CB  1 ? 
ATOM   391  C  CG  . ASP A 1 53  ? 11.633  0.300   2.327   1.000 10.956 0 53  ASP A CG  1 ? 
ATOM   392  O  OD1 . ASP A 1 53  ? 10.930  0.363   3.376   1.000 11.147 0 53  ASP A OD1 1 ? 
ATOM   393  O  OD2 . ASP A 1 53  ? 12.855  0.082   2.316   1.000 11.373 0 53  ASP A OD2 1 ? 
ATOM   394  N  N   . ASN A 1 54  ? 11.827  3.184   0.239   1.000 9.502  0 54  ASN A N   1 ? 
ATOM   395  C  CA  . ASN A 1 54  ? 12.518  4.455   0.173   1.000 9.664  0 54  ASN A CA  1 ? 
ATOM   396  C  C   . ASN A 1 54  ? 11.689  5.434   -0.657  1.000 9.669  0 54  ASN A C   1 ? 
ATOM   397  O  O   . ASN A 1 54  ? 11.531  5.232   -1.860  1.000 9.618  0 54  ASN A O   1 ? 
ATOM   398  C  CB  . ASN A 1 54  ? 13.913  4.274   -0.428  1.000 10.155 0 54  ASN A CB  1 ? 
ATOM   399  C  CG  . ASN A 1 54  ? 14.765  5.511   -0.252  1.000 10.851 0 54  ASN A CG  1 ? 
ATOM   400  O  OD1 . ASN A 1 54  ? 14.287  6.633   -0.447  1.000 10.467 0 54  ASN A OD1 1 ? 
ATOM   401  N  ND2 . ASN A 1 54  ? 15.986  5.327   0.239   1.000 11.430 0 54  ASN A ND2 1 ? 
ATOM   402  N  N   . ILE A 1 55  ? 11.131  6.465   -0.017  1.000 9.498  0 55  ILE A N   1 ? 
ATOM   403  C  CA  . ILE A 1 55  ? 10.249  7.373   -0.732  1.000 10.452 0 55  ILE A CA  1 ? 
ATOM   404  C  C   . ILE A 1 55  ? 11.022  8.299   -1.677  1.000 10.506 0 55  ILE A C   1 ? 
ATOM   405  O  O   . ILE A 1 55  ? 10.359  9.019   -2.430  1.000 10.571 0 55  ILE A O   1 ? 
ATOM   406  C  CB  . ILE A 1 55  ? 9.349   8.174   0.232   1.000 11.493 0 55  ILE A CB  1 ? 
ATOM   407  C  CG1 . ILE A 1 55  ? 10.178  8.863   1.279   1.000 11.928 0 55  ILE A CG1 1 ? 
ATOM   408  C  CG2 . ILE A 1 55  ? 8.238   7.278   0.800   1.000 11.363 0 55  ILE A CG2 1 ? 
ATOM   409  C  CD1 . ILE A 1 55  ? 9.487   9.985   2.027   1.000 13.401 0 55  ILE A CD1 1 ? 
ATOM   410  N  N   . ASN A 1 56  ? 12.375  8.285   -1.636  1.000 9.440  0 56  ASN A N   1 ? 
ATOM   411  C  CA  . ASN A 1 56  ? 13.193  9.146   -2.471  1.000 10.845 0 56  ASN A CA  1 ? 
ATOM   412  C  C   . ASN A 1 56  ? 13.926  8.414   -3.599  1.000 10.872 0 56  ASN A C   1 ? 
ATOM   413  O  O   . ASN A 1 56  ? 14.593  9.077   -4.386  1.000 10.978 0 56  ASN A O   1 ? 
ATOM   414  C  CB  . ASN A 1 56  ? 14.194  9.910   -1.631  1.000 10.138 0 56  ASN A CB  1 ? 
ATOM   415  C  CG  . ASN A 1 56  ? 13.548  11.180  -1.108  1.000 12.074 0 56  ASN A CG  1 ? 
ATOM   416  O  OD1 . ASN A 1 56  ? 12.866  11.954  -1.829  1.000 11.903 0 56  ASN A OD1 1 ? 
ATOM   417  N  ND2 . ASN A 1 56  ? 13.856  11.421  0.148   1.000 13.421 0 56  ASN A ND2 1 ? 
ATOM   418  N  N   . VAL A 1 57  ? 13.699  7.097   -3.753  1.000 9.517  0 57  VAL A N   1 ? 
ATOM   419  C  CA  . VAL A 1 57  ? 14.311  6.286   -4.795  1.000 11.198 0 57  VAL A CA  1 ? 
ATOM   420  C  C   . VAL A 1 57  ? 13.226  5.404   -5.390  1.000 11.006 0 57  VAL A C   1 ? 
ATOM   421  O  O   . VAL A 1 57  ? 12.514  4.734   -4.627  1.000 10.388 0 57  VAL A O   1 ? 
ATOM   422  C  CB  . VAL A 1 57  ? 15.453  5.409   -4.237  1.000 10.427 0 57  VAL A CB  1 ? 
ATOM   423  C  CG1 . VAL A 1 57  ? 16.106  4.562   -5.325  1.000 10.880 0 57  VAL A CG1 1 ? 
ATOM   424  C  CG2 . VAL A 1 57  ? 16.491  6.254   -3.524  1.000 11.074 0 57  VAL A CG2 1 ? 
ATOM   425  N  N   . VAL A 1 58  ? 13.130  5.380   -6.731  1.000 11.544 0 58  VAL A N   1 ? 
ATOM   426  C  CA  . VAL A 1 58  ? 12.255  4.438   -7.403  1.000 12.068 0 58  VAL A CA  1 ? 
ATOM   427  C  C   . VAL A 1 58  ? 12.947  3.078   -7.426  1.000 13.859 0 58  VAL A C   1 ? 
ATOM   428  O  O   . VAL A 1 58  ? 13.943  2.893   -8.119  1.000 15.031 0 58  VAL A O   1 ? 
ATOM   429  C  CB  . VAL A 1 58  ? 11.816  4.938   -8.791  1.000 13.111 0 58  VAL A CB  1 ? 
ATOM   430  C  CG1 . VAL A 1 58  ? 10.975  3.909   -9.533  1.000 13.517 0 58  VAL A CG1 1 ? 
ATOM   431  C  CG2 . VAL A 1 58  ? 11.092  6.258   -8.646  1.000 13.034 0 58  VAL A CG2 1 ? 
ATOM   432  N  N   . GLU A 1 59  ? 12.449  2.142   -6.615  1.000 13.546 0 59  GLU A N   1 ? 
ATOM   433  C  CA  . GLU A 1 59  ? 13.074  0.837   -6.415  1.000 14.599 0 59  GLU A CA  1 ? 
ATOM   434  C  C   . GLU A 1 59  ? 12.436  -0.267  -7.249  1.000 16.319 0 59  GLU A C   1 ? 
ATOM   435  O  O   . GLU A 1 59  ? 13.051  -1.330  -7.374  1.000 18.248 0 59  GLU A O   1 ? 
ATOM   436  C  CB  . GLU A 1 59  ? 13.040  0.444   -4.939  1.000 14.458 0 59  GLU A CB  1 ? 
ATOM   437  C  CG  . GLU A 1 59  ? 13.815  1.426   -4.066  1.000 14.574 0 59  GLU A CG  1 ? 
ATOM   438  C  CD  . GLU A 1 59  ? 13.817  1.121   -2.570  1.000 16.370 0 59  GLU A CD  1 ? 
ATOM   439  O  OE1 . GLU A 1 59  ? 12.795  1.249   -1.878  1.000 14.655 0 59  GLU A OE1 1 ? 
ATOM   440  O  OE2 . GLU A 1 59  ? 14.911  0.730   -2.079  1.000 17.531 0 59  GLU A OE2 1 ? 
ATOM   441  N  N   . GLY A 1 60  ? 11.197  -0.073  -7.719  1.000 15.490 0 60  GLY A N   1 ? 
ATOM   442  C  CA  . GLY A 1 60  ? 10.632  -0.919  -8.751  1.000 16.754 0 60  GLY A CA  1 ? 
ATOM   443  C  C   . GLY A 1 60  ? 9.295   -1.555  -8.386  1.000 17.360 0 60  GLY A C   1 ? 
ATOM   444  O  O   . GLY A 1 60  ? 8.745   -2.274  -9.229  1.000 21.132 0 60  GLY A O   1 ? 
ATOM   445  N  N   . ASN A 1 61  ? 8.827   -1.419  -7.139  1.000 14.183 0 61  ASN A N   1 ? 
ATOM   446  C  CA  . ASN A 1 61  ? 7.571   -2.037  -6.753  1.000 13.881 0 61  ASN A CA  1 ? 
ATOM   447  C  C   . ASN A 1 61  ? 6.478   -1.004  -6.510  1.000 13.313 0 61  ASN A C   1 ? 
ATOM   448  O  O   . ASN A 1 61  ? 5.372   -1.348  -6.099  1.000 13.683 0 61  ASN A O   1 ? 
ATOM   449  C  CB  . ASN A 1 61  ? 7.725   -2.941  -5.546  1.000 15.266 0 61  ASN A CB  1 ? 
ATOM   450  C  CG  . ASN A 1 61  ? 8.687   -4.051  -5.892  1.000 17.932 0 61  ASN A CG  1 ? 
ATOM   451  O  OD1 . ASN A 1 61  ? 8.436   -4.783  -6.856  1.000 20.826 0 61  ASN A OD1 1 ? 
ATOM   452  N  ND2 . ASN A 1 61  ? 9.802   -4.151  -5.189  1.000 19.490 0 61  ASN A ND2 1 ? 
ATOM   453  N  N   . GLU A 1 62  ? 6.772   0.251   -6.808  1.000 12.023 0 62  GLU A N   1 ? 
ATOM   454  C  CA  . GLU A 1 62  ? 5.778   1.291   -6.549  1.000 10.940 0 62  GLU A CA  1 ? 
ATOM   455  C  C   . GLU A 1 62  ? 4.619   1.279   -7.551  1.000 10.989 0 62  GLU A C   1 ? 
ATOM   456  O  O   . GLU A 1 62  ? 4.770   0.906   -8.715  1.000 12.117 0 62  GLU A O   1 ? 
ATOM   457  C  CB  . GLU A 1 62  ? 6.421   2.655   -6.694  1.000 10.979 0 62  GLU A CB  1 ? 
ATOM   458  C  CG  . GLU A 1 62  ? 7.575   2.831   -5.712  1.000 11.343 0 62  GLU A CG  1 ? 
ATOM   459  C  CD  . GLU A 1 62  ? 8.987   2.480   -6.180  1.000 12.098 0 62  GLU A CD  1 ? 
ATOM   460  O  OE1 . GLU A 1 62  ? 9.145   1.748   -7.182  1.000 10.604 0 62  GLU A OE1 1 ? 
ATOM   461  O  OE2 . GLU A 1 62  ? 9.922   2.953   -5.498  1.000 10.180 0 62  GLU A OE2 1 ? 
ATOM   462  N  N   . GLN A 1 63  ? 3.490   1.826   -7.096  1.000 10.052 0 63  GLN A N   1 ? 
ATOM   463  C  CA  . GLN A 1 63  ? 2.383   2.205   -7.959  1.000 10.622 0 63  GLN A CA  1 ? 
ATOM   464  C  C   . GLN A 1 63  ? 2.029   3.626   -7.556  1.000 10.642 0 63  GLN A C   1 ? 
ATOM   465  O  O   . GLN A 1 63  ? 1.824   3.873   -6.371  1.000 10.825 0 63  GLN A O   1 ? 
ATOM   466  C  CB  . GLN A 1 63  ? 1.200   1.265   -7.769  1.000 11.628 0 63  GLN A CB  1 ? 
ATOM   467  C  CG  . GLN A 1 63  ? 1.494   -0.161  -8.207  1.000 12.158 0 63  GLN A CG  1 ? 
ATOM   468  C  CD  . GLN A 1 63  ? 0.365   -1.118  -7.921  1.000 13.347 0 63  GLN A CD  1 ? 
ATOM   469  O  OE1 . GLN A 1 63  ? -0.797  -0.852  -8.235  1.000 14.962 0 63  GLN A OE1 1 ? 
ATOM   470  N  NE2 . GLN A 1 63  ? 0.700   -2.269  -7.370  1.000 13.838 0 63  GLN A NE2 1 ? 
ATOM   471  N  N   . PHE A 1 64  ? 2.017   4.549   -8.520  1.000 11.197 0 64  PHE A N   1 ? 
ATOM   472  C  CA  . PHE A 1 64  ? 1.675   5.941   -8.266  1.000 11.315 0 64  PHE A CA  1 ? 
ATOM   473  C  C   . PHE A 1 64  ? 0.327   6.211   -8.922  1.000 11.698 0 64  PHE A C   1 ? 
ATOM   474  O  O   . PHE A 1 64  ? 0.192   6.115   -10.155 1.000 11.142 0 64  PHE A O   1 ? 
ATOM   475  C  CB  . PHE A 1 64  ? 2.697   6.935   -8.834  1.000 11.840 0 64  PHE A CB  1 ? 
ATOM   476  C  CG  . PHE A 1 64  ? 4.116   6.878   -8.288  1.000 11.727 0 64  PHE A CG  1 ? 
ATOM   477  C  CD1 . PHE A 1 64  ? 4.435   6.144   -7.154  1.000 11.949 0 64  PHE A CD1 1 ? 
ATOM   478  C  CD2 . PHE A 1 64  ? 5.109   7.682   -8.850  1.000 12.822 0 64  PHE A CD2 1 ? 
ATOM   479  C  CE1 . PHE A 1 64  ? 5.723   6.164   -6.634  1.000 12.690 0 64  PHE A CE1 1 ? 
ATOM   480  C  CE2 . PHE A 1 64  ? 6.405   7.684   -8.327  1.000 13.552 0 64  PHE A CE2 1 ? 
ATOM   481  C  CZ  . PHE A 1 64  ? 6.703   6.927   -7.233  1.000 13.959 0 64  PHE A CZ  1 ? 
ATOM   482  N  N   . ILE A 1 65  ? -0.697  6.500   -8.105  1.000 10.097 0 65  ILE A N   1 ? 
ATOM   483  C  CA  . ILE A 1 65  ? -2.035  6.706   -8.645  1.000 11.156 0 65  ILE A CA  1 ? 
ATOM   484  C  C   . ILE A 1 65  ? -2.608  8.001   -8.082  1.000 11.629 0 65  ILE A C   1 ? 
ATOM   485  O  O   . ILE A 1 65  ? -2.621  8.168   -6.875  1.000 11.354 0 65  ILE A O   1 ? 
ATOM   486  C  CB  . ILE A 1 65  ? -2.946  5.517   -8.327  1.000 11.152 0 65  ILE A CB  1 ? 
ATOM   487  C  CG1 . ILE A 1 65  ? -2.291  4.199   -8.733  1.000 12.252 0 65  ILE A CG1 1 ? 
ATOM   488  C  CG2 . ILE A 1 65  ? -4.322  5.712   -8.977  1.000 11.650 0 65  ILE A CG2 1 ? 
ATOM   489  C  CD1 . ILE A 1 65  ? -3.062  2.977   -8.301  1.000 13.443 0 65  ILE A CD1 1 ? 
ATOM   490  N  N   . SER A 1 66  ? -3.110  8.882   -8.959  1.000 11.661 0 66  SER A N   1 ? 
ATOM   491  C  CA  . SER A 1 66  ? -3.733  10.123  -8.525  1.000 12.295 0 66  SER A CA  1 ? 
ATOM   492  C  C   . SER A 1 66  ? -5.070  9.854   -7.827  1.000 11.335 0 66  SER A C   1 ? 
ATOM   493  O  O   . SER A 1 66  ? -5.781  8.914   -8.165  1.000 12.613 0 66  SER A O   1 ? 
ATOM   494  C  CB  . SER A 1 66  ? -3.972  11.040  -9.681  1.000 15.516 0 66  SER A CB  1 ? 
ATOM   495  O  OG  . SER A 1 66  ? -2.729  11.523  -10.138 1.000 20.556 0 66  SER A OG  1 ? 
ATOM   496  N  N   . ALA A 1 67  ? -5.383  10.679  -6.833  1.000 10.645 0 67  ALA A N   1 ? 
ATOM   497  C  CA  . ALA A 1 67  ? -6.682  10.629  -6.193  1.000 11.790 0 67  ALA A CA  1 ? 
ATOM   498  C  C   . ALA A 1 67  ? -7.720  11.200  -7.155  1.000 10.931 0 67  ALA A C   1 ? 
ATOM   499  O  O   . ALA A 1 67  ? -7.527  12.267  -7.746  1.000 12.714 0 67  ALA A O   1 ? 
ATOM   500  C  CB  . ALA A 1 67  ? -6.665  11.393  -4.879  1.000 11.668 0 67  ALA A CB  1 ? 
ATOM   501  N  N   . SER A 1 68  ? -8.888  10.569  -7.222  1.000 11.497 0 68  SER A N   1 ? 
ATOM   502  C  CA  . SER A 1 68  ? -9.984  11.172  -7.960  1.000 13.425 0 68  SER A CA  1 ? 
ATOM   503  C  C   . SER A 1 68  ? -10.891 12.010  -7.073  1.000 13.285 0 68  SER A C   1 ? 
ATOM   504  O  O   . SER A 1 68  ? -11.465 12.973  -7.559  1.000 13.793 0 68  SER A O   1 ? 
ATOM   505  C  CB  . SER A 1 68  ? -10.794 10.150  -8.688  1.000 16.419 0 68  SER A CB  1 ? 
ATOM   506  O  OG  . SER A 1 68  ? -11.291 9.224   -7.755  1.000 19.320 0 68  SER A OG  1 ? 
ATOM   507  N  N   . LYS A 1 69  ? -11.030 11.627  -5.806  1.000 12.932 0 69  LYS A N   1 ? 
ATOM   508  C  CA  . LYS A 1 69  ? -11.899 12.323  -4.863  1.000 14.142 0 69  LYS A CA  1 ? 
ATOM   509  C  C   . LYS A 1 69  ? -11.341 12.162  -3.452  1.000 12.769 0 69  LYS A C   1 ? 
ATOM   510  O  O   . LYS A 1 69  ? -10.816 11.103  -3.095  1.000 13.383 0 69  LYS A O   1 ? 
ATOM   511  C  CB  . LYS A 1 69  ? -13.267 11.638  -5.045  1.000 17.740 0 69  LYS A CB  1 ? 
ATOM   512  C  CG  . LYS A 1 69  ? -14.392 12.126  -4.183  1.000 22.791 0 69  LYS A CG  1 ? 
ATOM   513  C  CD  . LYS A 1 69  ? -15.696 11.349  -4.345  1.000 21.837 0 69  LYS A CD  1 ? 
ATOM   514  C  CE  . LYS A 1 69  ? -16.436 11.672  -5.589  1.000 25.291 0 69  LYS A CE  1 ? 
ATOM   515  N  NZ  . LYS A 1 69  ? -17.755 11.032  -5.562  1.000 23.810 0 69  LYS A NZ  1 ? 
ATOM   516  N  N   . SER A 1 70  ? -11.522 13.192  -2.618  1.000 11.998 0 70  SER A N   1 ? 
ATOM   517  C  CA  . SER A 1 70  ? -11.289 13.087  -1.182  1.000 12.445 0 70  SER A CA  1 ? 
ATOM   518  C  C   . SER A 1 70  ? -12.593 13.352  -0.448  1.000 11.209 0 70  SER A C   1 ? 
ATOM   519  O  O   . SER A 1 70  ? -13.385 14.177  -0.893  1.000 10.707 0 70  SER A O   1 ? 
ATOM   520  C  CB  . SER A 1 70  ? -10.269 14.069  -0.695  1.000 15.946 0 70  SER A CB  1 ? 
ATOM   521  O  OG  . SER A 1 70  ? -9.040  13.839  -1.355  1.000 20.605 0 70  SER A OG  1 ? 
ATOM   522  N  N   . ILE A 1 71  ? -12.801 12.621  0.651   1.000 9.827  0 71  ILE A N   1 ? 
ATOM   523  C  CA  . ILE A 1 71  ? -14.005 12.799  1.454   1.000 9.524  0 71  ILE A CA  1 ? 
ATOM   524  C  C   . ILE A 1 71  ? -13.651 12.854  2.933   1.000 9.111  0 71  ILE A C   1 ? 
ATOM   525  O  O   . ILE A 1 71  ? -13.294 11.850  3.544   1.000 9.360  0 71  ILE A O   1 ? 
ATOM   526  C  CB  . ILE A 1 71  ? -15.027 11.687  1.216   1.000 10.072 0 71  ILE A CB  1 ? 
ATOM   527  C  CG1 . ILE A 1 71  ? -15.380 11.500  -0.277  1.000 11.154 0 71  ILE A CG1 1 ? 
ATOM   528  C  CG2 . ILE A 1 71  ? -16.243 11.937  2.109   1.000 9.436  0 71  ILE A CG2 1 ? 
ATOM   529  C  CD1 . ILE A 1 71  ? -16.054 10.179  -0.550  1.000 11.804 0 71  ILE A CD1 1 ? 
ATOM   530  N  N   . VAL A 1 72  ? -13.656 14.073  3.454   1.000 9.199  0 72  VAL A N   1 ? 
ATOM   531  C  CA  . VAL A 1 72  ? -13.438 14.322  4.869   1.000 9.330  0 72  VAL A CA  1 ? 
ATOM   532  C  C   . VAL A 1 72  ? -14.716 13.944  5.609   1.000 8.983  0 72  VAL A C   1 ? 
ATOM   533  O  O   . VAL A 1 72  ? -15.814 14.155  5.092   1.000 9.919  0 72  VAL A O   1 ? 
ATOM   534  C  CB  . VAL A 1 72  ? -13.044 15.787  5.046   1.000 10.359 0 72  VAL A CB  1 ? 
ATOM   535  C  CG1 . VAL A 1 72  ? -13.143 16.263  6.473   1.000 12.254 0 72  VAL A CG1 1 ? 
ATOM   536  C  CG2 . VAL A 1 72  ? -11.634 16.064  4.533   1.000 10.541 0 72  VAL A CG2 1 ? 
ATOM   537  N  N   . HIS A 1 73  ? -14.561 13.329  6.787   1.000 8.947  0 73  HIS A N   1 ? 
ATOM   538  C  CA  . HIS A 1 73  ? -15.709 12.989  7.599   1.000 8.788  0 73  HIS A CA  1 ? 
ATOM   539  C  C   . HIS A 1 73  ? -16.655 14.176  7.771   1.000 8.753  0 73  HIS A C   1 ? 
ATOM   540  O  O   . HIS A 1 73  ? -16.272 15.342  7.985   1.000 9.176  0 73  HIS A O   1 ? 
ATOM   541  C  CB  . HIS A 1 73  ? -15.245 12.427  8.957   1.000 8.924  0 73  HIS A CB  1 ? 
ATOM   542  C  CG  . HIS A 1 73  ? -16.366 11.808  9.701   1.000 9.289  0 73  HIS A CG  1 ? 
ATOM   543  N  ND1 . HIS A 1 73  ? -17.337 12.470  10.415  1.000 9.700  0 73  HIS A ND1 1 ? 
ATOM   544  C  CD2 . HIS A 1 73  ? -16.684 10.512  9.746   1.000 9.586  0 73  HIS A CD2 1 ? 
ATOM   545  C  CE1 . HIS A 1 73  ? -18.211 11.577  10.878  1.000 10.775 0 73  HIS A CE1 1 ? 
ATOM   546  N  NE2 . HIS A 1 73  ? -17.867 10.359  10.443  1.000 10.543 0 73  HIS A NE2 1 ? 
ATOM   547  N  N   . PRO A 1 74  ? -17.978 13.915  7.713   1.000 10.109 0 74  PRO A N   1 ? 
ATOM   548  C  CA  . PRO A 1 74  ? -18.946 15.007  7.799   1.000 9.951  0 74  PRO A CA  1 ? 
ATOM   549  C  C   . PRO A 1 74  ? -18.837 15.779  9.103   1.000 10.833 0 74  PRO A C   1 ? 
ATOM   550  O  O   . PRO A 1 74  ? -19.201 16.959  9.114   1.000 12.077 0 74  PRO A O   1 ? 
ATOM   551  C  CB  . PRO A 1 74  ? -20.307 14.347  7.626   1.000 10.691 0 74  PRO A CB  1 ? 
ATOM   552  C  CG  . PRO A 1 74  ? -20.040 12.885  7.792   1.000 11.244 0 74  PRO A CG  1 ? 
ATOM   553  C  CD  . PRO A 1 74  ? -18.588 12.633  7.404   1.000 10.146 0 74  PRO A CD  1 ? 
ATOM   554  N  N   . SER A 1 75  ? -18.390 15.118  10.171  1.000 10.230 0 75  SER A N   1 ? 
ATOM   555  C  CA  . SER A 1 75  ? -18.325 15.743  11.489  1.000 10.445 0 75  SER A CA  1 ? 
ATOM   556  C  C   . SER A 1 75  ? -16.907 16.122  11.952  1.000 10.384 0 75  SER A C   1 ? 
ATOM   557  O  O   . SER A 1 75  ? -16.717 16.463  13.112  1.000 9.700  0 75  SER A O   1 ? 
ATOM   558  C  CB  . SER A 1 75  ? -18.948 14.844  12.511  1.000 12.049 0 75  SER A CB  1 ? 
ATOM   559  O  OG  . SER A 1 75  ? -20.311 14.629  12.195  1.000 15.150 0 75  SER A OG  1 ? 
ATOM   560  N  N   . TYR A 1 76  ? -15.935 16.128  11.038  1.000 9.205  0 76  TYR A N   1 ? 
ATOM   561  C  CA  . TYR A 1 76  ? -14.569 16.509  11.379  1.000 9.421  0 76  TYR A CA  1 ? 
ATOM   562  C  C   . TYR A 1 76  ? -14.510 17.918  11.931  1.000 8.915  0 76  TYR A C   1 ? 
ATOM   563  O  O   . TYR A 1 76  ? -15.052 18.838  11.335  1.000 9.949  0 76  TYR A O   1 ? 
ATOM   564  C  CB  . TYR A 1 76  ? -13.751 16.477  10.091  1.000 9.374  0 76  TYR A CB  1 ? 
ATOM   565  C  CG  . TYR A 1 76  ? -12.342 16.969  10.353  1.000 9.293  0 76  TYR A CG  1 ? 
ATOM   566  C  CD1 . TYR A 1 76  ? -11.602 16.442  11.392  1.000 9.341  0 76  TYR A CD1 1 ? 
ATOM   567  C  CD2 . TYR A 1 76  ? -11.784 17.970  9.581   1.000 9.124  0 76  TYR A CD2 1 ? 
ATOM   568  C  CE1 . TYR A 1 76  ? -10.311 16.894  11.628  1.000 9.530  0 76  TYR A CE1 1 ? 
ATOM   569  C  CE2 . TYR A 1 76  ? -10.495 18.439  9.801   1.000 9.701  0 76  TYR A CE2 1 ? 
ATOM   570  C  CZ  . TYR A 1 76  ? -9.745  17.876  10.821  1.000 9.732  0 76  TYR A CZ  1 ? 
ATOM   571  O  OH  . TYR A 1 76  ? -8.481  18.370  11.010  1.000 10.343 0 76  TYR A OH  1 ? 
ATOM   572  N  N   . ASN A 1 77  ? -13.883 18.049  13.096  1.000 9.465  0 77  ASN A N   1 ? 
ATOM   573  C  CA  . ASN A 1 77  ? -13.666 19.321  13.753  1.000 10.239 0 77  ASN A CA  1 ? 
ATOM   574  C  C   . ASN A 1 77  ? -12.169 19.548  13.796  1.000 9.519  0 77  ASN A C   1 ? 
ATOM   575  O  O   . ASN A 1 77  ? -11.470 18.828  14.505  1.000 9.756  0 77  ASN A O   1 ? 
ATOM   576  C  CB  . ASN A 1 77  ? -14.222 19.280  15.169  1.000 11.275 0 77  ASN A CB  1 ? 
ATOM   577  C  CG  . ASN A 1 77  ? -14.061 20.601  15.870  1.000 13.350 0 77  ASN A CG  1 ? 
ATOM   578  O  OD1 . ASN A 1 77  ? -13.042 21.278  15.709  1.000 15.487 0 77  ASN A OD1 1 ? 
ATOM   579  N  ND2 . ASN A 1 77  ? -15.073 20.999  16.616  1.000 16.212 0 77  ASN A ND2 1 ? 
ATOM   580  N  N   . SER A 1 78  ? -11.675 20.485  12.997  1.000 10.044 0 78  SER A N   1 ? 
ATOM   581  C  CA  . SER A 1 78  ? -10.246 20.701  12.880  1.000 11.122 0 78  SER A CA  1 ? 
ATOM   582  C  C   . SER A 1 78  ? -9.663  21.359  14.137  1.000 12.724 0 78  SER A C   1 ? 
ATOM   583  O  O   . SER A 1 78  ? -8.429  21.378  14.258  1.000 14.345 0 78  SER A O   1 ? 
ATOM   584  C  CB  . SER A 1 78  ? -9.927  21.501  11.669  1.000 11.823 0 78  SER A CB  1 ? 
ATOM   585  O  OG  . SER A 1 78  ? -10.634 22.735  11.677  1.000 12.835 0 78  SER A OG  1 ? 
ATOM   586  N  N   . ASN A 1 79  ? -10.515 21.918  15.009  1.000 11.302 0 79  ASN A N   1 ? 
ATOM   587  C  CA  . ASN A 1 79  ? -10.016 22.512  16.247  1.000 12.174 0 79  ASN A CA  1 ? 
ATOM   588  C  C   . ASN A 1 79  ? -9.674  21.427  17.270  1.000 13.454 0 79  ASN A C   1 ? 
ATOM   589  O  O   . ASN A 1 79  ? -8.578  21.430  17.823  1.000 15.433 0 79  ASN A O   1 ? 
ATOM   590  C  CB  . ASN A 1 79  ? -11.006 23.463  16.884  1.000 12.529 0 79  ASN A CB  1 ? 
ATOM   591  C  CG  . ASN A 1 79  ? -11.267 24.655  16.002  1.000 11.357 0 79  ASN A CG  1 ? 
ATOM   592  O  OD1 . ASN A 1 79  ? -10.361 25.139  15.308  1.000 13.598 0 79  ASN A OD1 1 ? 
ATOM   593  N  ND2 . ASN A 1 79  ? -12.493 25.148  16.044  1.000 12.879 0 79  ASN A ND2 1 ? 
ATOM   594  N  N   . THR A 1 80  ? -10.544 20.430  17.438  1.000 11.804 0 80  THR A N   1 ? 
ATOM   595  C  CA  . THR A 1 80  ? -10.355 19.412  18.465  1.000 12.272 0 80  THR A CA  1 ? 
ATOM   596  C  C   . THR A 1 80  ? -9.776  18.108  17.906  1.000 12.951 0 80  THR A C   1 ? 
ATOM   597  O  O   . THR A 1 80  ? -9.391  17.212  18.672  1.000 13.407 0 80  THR A O   1 ? 
ATOM   598  C  CB  . THR A 1 80  ? -11.709 19.164  19.119  1.000 14.783 0 80  THR A CB  1 ? 
ATOM   599  O  OG1 . THR A 1 80  ? -12.572 18.595  18.143  1.000 13.633 0 80  THR A OG1 1 ? 
ATOM   600  C  CG2 . THR A 1 80  ? -12.357 20.399  19.737  1.000 15.247 0 80  THR A CG2 1 ? 
ATOM   601  N  N   . LEU A 1 81  ? -9.785  17.980  16.571  1.000 11.985 0 81  LEU A N   1 ? 
ATOM   602  C  CA  . LEU A 1 81  ? -9.411  16.771  15.847  1.000 11.241 0 81  LEU A CA  1 ? 
ATOM   603  C  C   . LEU A 1 81  ? -10.380 15.627  16.109  1.000 11.130 0 81  LEU A C   1 ? 
ATOM   604  O  O   . LEU A 1 81  ? -10.097 14.485  15.764  1.000 11.396 0 81  LEU A O   1 ? 
ATOM   605  C  CB  . LEU A 1 81  ? -7.943  16.356  16.024  1.000 13.885 0 81  LEU A CB  1 ? 
ATOM   606  C  CG  . LEU A 1 81  ? -6.909  17.311  15.399  1.000 17.972 0 81  LEU A CG  1 ? 
ATOM   607  C  CD1 . LEU A 1 81  ? -5.451  16.830  15.477  1.000 19.900 0 81  LEU A CD1 1 ? 
ATOM   608  C  CD2 . LEU A 1 81  ? -7.208  17.588  13.961  1.000 17.920 0 81  LEU A CD2 1 ? 
ATOM   609  N  N   . ASN A 1 82  ? -11.565 15.916  16.642  1.000 10.407 0 82  ASN A N   1 ? 
ATOM   610  C  CA  . ASN A 1 82  ? -12.632 14.936  16.709  1.000 10.883 0 82  ASN A CA  1 ? 
ATOM   611  C  C   . ASN A 1 82  ? -13.059 14.546  15.287  1.000 9.681  0 82  ASN A C   1 ? 
ATOM   612  O  O   . ASN A 1 82  ? -13.271 15.396  14.431  1.000 8.824  0 82  ASN A O   1 ? 
ATOM   613  C  CB  . ASN A 1 82  ? -13.793 15.446  17.548  1.000 11.795 0 82  ASN A CB  1 ? 
ATOM   614  C  CG  . ASN A 1 82  ? -14.724 14.341  17.959  1.000 12.985 0 82  ASN A CG  1 ? 
ATOM   615  O  OD1 . ASN A 1 82  ? -14.291 13.202  18.131  1.000 12.435 0 82  ASN A OD1 1 ? 
ATOM   616  N  ND2 . ASN A 1 82  ? -15.999 14.647  18.177  1.000 13.233 0 82  ASN A ND2 1 ? 
ATOM   617  N  N   . ASN A 1 83  ? -13.187 13.244  15.053  1.000 9.056  0 83  ASN A N   1 ? 
ATOM   618  C  CA  . ASN A 1 83  ? -13.513 12.626  13.750  1.000 8.641  0 83  ASN A CA  1 ? 
ATOM   619  C  C   . ASN A 1 83  ? -12.454 12.880  12.675  1.000 8.126  0 83  ASN A C   1 ? 
ATOM   620  O  O   . ASN A 1 83  ? -12.756 13.248  11.547  1.000 7.935  0 83  ASN A O   1 ? 
ATOM   621  C  CB  . ASN A 1 83  ? -14.900 13.043  13.257  1.000 9.337  0 83  ASN A CB  1 ? 
ATOM   622  C  CG  . ASN A 1 83  ? -15.975 12.880  14.311  1.000 10.765 0 83  ASN A CG  1 ? 
ATOM   623  O  OD1 . ASN A 1 83  ? -16.336 11.777  14.723  1.000 12.034 0 83  ASN A OD1 1 ? 
ATOM   624  N  ND2 . ASN A 1 83  ? -16.508 13.997  14.756  1.000 12.363 0 83  ASN A ND2 1 ? 
ATOM   625  N  N   . ASP A 1 84  ? -11.189 12.721  13.071  1.000 7.796  0 84  ASP A N   1 ? 
ATOM   626  C  CA  . ASP A 1 84  ? -10.042 12.953  12.192  1.000 7.321  0 84  ASP A CA  1 ? 
ATOM   627  C  C   . ASP A 1 84  ? -9.836  11.756  11.265  1.000 7.260  0 84  ASP A C   1 ? 
ATOM   628  O  O   . ASP A 1 84  ? -8.925  10.939  11.476  1.000 7.560  0 84  ASP A O   1 ? 
ATOM   629  C  CB  . ASP A 1 84  ? -8.812  13.232  13.026  1.000 7.795  0 84  ASP A CB  1 ? 
ATOM   630  C  CG  . ASP A 1 84  ? -7.629  13.781  12.244  1.000 7.400  0 84  ASP A CG  1 ? 
ATOM   631  O  OD1 . ASP A 1 84  ? -7.834  14.110  11.054  1.000 8.177  0 84  ASP A OD1 1 ? 
ATOM   632  O  OD2 . ASP A 1 84  ? -6.479  13.819  12.834  1.000 7.550  0 84  ASP A OD2 1 ? 
ATOM   633  N  N   . ILE A 1 85  ? -10.667 11.685  10.224  1.000 6.998  0 85  ILE A N   1 ? 
ATOM   634  C  CA  . ILE A 1 85  ? -10.665 10.564  9.285   1.000 7.736  0 85  ILE A CA  1 ? 
ATOM   635  C  C   . ILE A 1 85  ? -11.145 11.090  7.930   1.000 8.714  0 85  ILE A C   1 ? 
ATOM   636  O  O   . ILE A 1 85  ? -12.043 11.911  7.844   1.000 8.657  0 85  ILE A O   1 ? 
ATOM   637  C  CB  . ILE A 1 85  ? -11.472 9.350   9.783   1.000 8.455  0 85  ILE A CB  1 ? 
ATOM   638  C  CG1 . ILE A 1 85  ? -11.409 8.131   8.860   1.000 9.328  0 85  ILE A CG1 1 ? 
ATOM   639  C  CG2 . ILE A 1 85  ? -12.928 9.722   10.063  1.000 8.787  0 85  ILE A CG2 1 ? 
ATOM   640  C  CD1 . ILE A 1 85  ? -12.017 6.867   9.466   1.000 10.424 0 85  ILE A CD1 1 ? 
ATOM   641  N  N   . MET A 1 86  ? -10.542 10.540  6.870   1.000 8.682  0 86  MET A N   1 ? 
ATOM   642  C  CA  . MET A 1 86  ? -10.853 10.931  5.506   1.000 9.458  0 86  MET A CA  1 ? 
ATOM   643  C  C   . MET A 1 86  ? -10.679 9.692   4.635   1.000 9.106  0 86  MET A C   1 ? 
ATOM   644  O  O   . MET A 1 86  ? -9.815  8.867   4.917   1.000 9.851  0 86  MET A O   1 ? 
ATOM   645  C  CB  . MET A 1 86  ? -9.957  12.099  5.088   1.000 12.470 0 86  MET A CB  1 ? 
ATOM   646  C  CG  . MET A 1 86  ? -9.849  12.421  3.638   1.000 16.425 0 86  MET A CG  1 ? 
ATOM   647  S  SD  . MET A 1 86  ? -8.603  13.730  3.411   1.000 17.947 0 86  MET A SD  1 ? 
ATOM   648  C  CE  . MET A 1 86  ? -7.000  13.018  3.714   1.000 15.879 0 86  MET A CE  1 ? 
ATOM   649  N  N   . LEU A 1 87  ? -11.476 9.638   3.571   1.000 7.808  0 87  LEU A N   1 ? 
ATOM   650  C  CA  . LEU A 1 87  ? -11.381 8.592   2.568   1.000 8.662  0 87  LEU A CA  1 ? 
ATOM   651  C  C   . LEU A 1 87  ? -10.852 9.219   1.293   1.000 8.360  0 87  LEU A C   1 ? 
ATOM   652  O  O   . LEU A 1 87  ? -11.216 10.357  0.967   1.000 10.343 0 87  LEU A O   1 ? 
ATOM   653  C  CB  . LEU A 1 87  ? -12.758 7.971   2.335   1.000 8.844  0 87  LEU A CB  1 ? 
ATOM   654  C  CG  . LEU A 1 87  ? -13.185 7.015   3.438   1.000 9.651  0 87  LEU A CG  1 ? 
ATOM   655  C  CD1 . LEU A 1 87  ? -14.670 6.776   3.327   1.000 9.856  0 87  LEU A CD1 1 ? 
ATOM   656  C  CD2 . LEU A 1 87  ? -12.411 5.726   3.270   1.000 11.133 0 87  LEU A CD2 1 ? 
ATOM   657  N  N   . ILE A 1 88  ? -9.966  8.505   0.599   1.000 8.706  0 88  ILE A N   1 ? 
ATOM   658  C  CA  . ILE A 1 88  ? -9.415  8.965   -0.671  1.000 9.108  0 88  ILE A CA  1 ? 
ATOM   659  C  C   . ILE A 1 88  ? -9.718  7.878   -1.691  1.000 9.673  0 88  ILE A C   1 ? 
ATOM   660  O  O   . ILE A 1 88  ? -9.377  6.725   -1.459  1.000 10.036 0 88  ILE A O   1 ? 
ATOM   661  C  CB  . ILE A 1 88  ? -7.902  9.241   -0.571  1.000 9.441  0 88  ILE A CB  1 ? 
ATOM   662  C  CG1 . ILE A 1 88  ? -7.567  10.318  0.432   1.000 10.125 0 88  ILE A CG1 1 ? 
ATOM   663  C  CG2 . ILE A 1 88  ? -7.298  9.584   -1.942  1.000 10.575 0 88  ILE A CG2 1 ? 
ATOM   664  C  CD1 . ILE A 1 88  ? -6.102  10.390  0.814   1.000 10.591 0 88  ILE A CD1 1 ? 
ATOM   665  N  N   . LYS A 1 89  ? -10.367 8.242   -2.795  1.000 10.517 0 89  LYS A N   1 ? 
ATOM   666  C  CA  . LYS A 1 89  ? -10.627 7.303   -3.873  1.000 10.945 0 89  LYS A CA  1 ? 
ATOM   667  C  C   . LYS A 1 89  ? -9.566  7.464   -4.964  1.000 10.487 0 89  LYS A C   1 ? 
ATOM   668  O  O   . LYS A 1 89  ? -9.263  8.581   -5.374  1.000 10.169 0 89  LYS A O   1 ? 
ATOM   669  C  CB  . LYS A 1 89  ? -11.996 7.579   -4.485  1.000 13.287 0 89  LYS A CB  1 ? 
ATOM   670  C  CG  . LYS A 1 89  ? -12.398 6.462   -5.414  1.000 16.489 0 89  LYS A CG  1 ? 
ATOM   671  C  CD  . LYS A 1 89  ? -13.730 6.589   -6.113  1.000 19.611 0 89  LYS A CD  1 ? 
ATOM   672  C  CE  . LYS A 1 89  ? -13.898 5.357   -6.966  1.000 21.526 0 89  LYS A CE  1 ? 
ATOM   673  N  NZ  . LYS A 1 89  ? -15.010 5.539   -7.916  1.000 22.253 0 89  LYS A NZ  1 ? 
ATOM   674  N  N   . LEU A 1 90  ? -9.054  6.352   -5.458  1.000 11.394 0 90  LEU A N   1 ? 
ATOM   675  C  CA  . LEU A 1 90  ? -8.026  6.333   -6.473  1.000 12.110 0 90  LEU A CA  1 ? 
ATOM   676  C  C   . LEU A 1 90  ? -8.687  6.421   -7.846  1.000 13.012 0 90  LEU A C   1 ? 
ATOM   677  O  O   . LEU A 1 90  ? -9.737  5.811   -8.076  1.000 12.867 0 90  LEU A O   1 ? 
ATOM   678  C  CB  . LEU A 1 90  ? -7.249  5.027   -6.344  1.000 14.416 0 90  LEU A CB  1 ? 
ATOM   679  C  CG  . LEU A 1 90  ? -6.508  4.763   -5.029  1.000 15.330 0 90  LEU A CG  1 ? 
ATOM   680  C  CD1 . LEU A 1 90  ? -5.860  3.394   -5.097  1.000 16.784 0 90  LEU A CD1 1 ? 
ATOM   681  C  CD2 . LEU A 1 90  ? -5.519  5.843   -4.777  1.000 17.572 0 90  LEU A CD2 1 ? 
ATOM   682  N  N   . LYS A 1 91  ? -8.024  7.118   -8.774  1.000 13.116 0 91  LYS A N   1 ? 
ATOM   683  C  CA  . LYS A 1 91  ? -8.519  7.261   -10.133 1.000 15.421 0 91  LYS A CA  1 ? 
ATOM   684  C  C   . LYS A 1 91  ? -8.597  5.933   -10.871 1.000 15.061 0 91  LYS A C   1 ? 
ATOM   685  O  O   . LYS A 1 91  ? -9.457  5.760   -11.745 1.000 15.417 0 91  LYS A O   1 ? 
ATOM   686  C  CB  . LYS A 1 91  ? -7.630  8.185   -10.955 1.000 17.735 0 91  LYS A CB  1 ? 
ATOM   687  C  CG  . LYS A 1 91  ? -7.790  9.645   -10.721 1.000 21.348 0 91  LYS A CG  1 ? 
ATOM   688  C  CD  . LYS A 1 91  ? -7.072  10.418  -11.830 1.000 25.442 0 91  LYS A CD  1 ? 
ATOM   689  C  CE  . LYS A 1 91  ? -6.815  11.864  -11.549 1.000 31.788 0 91  LYS A CE  1 ? 
ATOM   690  N  NZ  . LYS A 1 91  ? -8.022  12.633  -11.272 1.000 37.358 0 91  LYS A NZ  1 ? 
ATOM   691  N  N   . SER A 1 92  ? -7.660  5.018   -10.586 1.000 14.156 0 92  SER A N   1 ? 
ATOM   692  C  CA  . SER A 1 92  ? -7.718  3.656   -11.079 1.000 15.512 0 92  SER A CA  1 ? 
ATOM   693  C  C   . SER A 1 92  ? -7.366  2.681   -9.954  1.000 15.509 0 92  SER A C   1 ? 
ATOM   694  O  O   . SER A 1 92  ? -6.734  3.072   -8.977  1.000 15.025 0 92  SER A O   1 ? 
ATOM   695  C  CB  . SER A 1 92  ? -6.828  3.474   -12.270 1.000 18.987 0 92  SER A CB  1 ? 
ATOM   696  O  OG  . SER A 1 92  ? -5.500  3.823   -11.928 1.000 21.577 0 92  SER A OG  1 ? 
ATOM   697  N  N   . ALA A 1 93  ? -7.755  1.414   -10.115 1.000 13.864 0 93  ALA A N   1 ? 
ATOM   698  C  CA  . ALA A 1 93  ? -7.587  0.429   -9.072  1.000 13.764 0 93  ALA A CA  1 ? 
ATOM   699  C  C   . ALA A 1 93  ? -6.113  0.052   -9.007  1.000 14.927 0 93  ALA A C   1 ? 
ATOM   700  O  O   . ALA A 1 93  ? -5.441  -0.082  -10.042 1.000 15.016 0 93  ALA A O   1 ? 
ATOM   701  C  CB  . ALA A 1 93  ? -8.475  -0.764  -9.327  1.000 14.601 0 93  ALA A CB  1 ? 
ATOM   702  N  N   . ALA A 1 94  ? -5.602  -0.088  -7.784  1.000 12.665 0 94  ALA A N   1 ? 
ATOM   703  C  CA  . ALA A 1 94  ? -4.265  -0.654  -7.587  1.000 12.945 0 94  ALA A CA  1 ? 
ATOM   704  C  C   . ALA A 1 94  ? -4.265  -2.145  -7.947  1.000 14.062 0 94  ALA A C   1 ? 
ATOM   705  O  O   . ALA A 1 94  ? -5.289  -2.826  -7.856  1.000 15.578 0 94  ALA A O   1 ? 
ATOM   706  C  CB  . ALA A 1 94  ? -3.861  -0.469  -6.130  1.000 13.503 0 94  ALA A CB  1 ? 
ATOM   707  N  N   . SER A 1 95  ? -3.098  -2.652  -8.343  1.000 13.867 0 95  SER A N   1 ? 
ATOM   708  C  CA  . SER A 1 95  ? -2.875  -4.083  -8.536  1.000 16.947 0 95  SER A CA  1 ? 
ATOM   709  C  C   . SER A 1 95  ? -2.378  -4.694  -7.244  1.000 17.476 0 95  SER A C   1 ? 
ATOM   710  O  O   . SER A 1 95  ? -1.285  -4.331  -6.811  1.000 17.831 0 95  SER A O   1 ? 
ATOM   711  C  CB  . SER A 1 95  ? -1.853  -4.360  -9.598  1.000 19.436 0 95  SER A CB  1 ? 
ATOM   712  O  OG  . SER A 1 95  ? -2.356  -3.932  -10.842 1.000 28.206 0 95  SER A OG  1 ? 
ATOM   713  N  N   . LEU A 1 96  ? -3.179  -5.570  -6.643  1.000 16.536 0 96  LEU A N   1 ? 
ATOM   714  C  CA  . LEU A 1 96  ? -2.836  -6.136  -5.345  1.000 19.070 0 96  LEU A CA  1 ? 
ATOM   715  C  C   . LEU A 1 96  ? -1.943  -7.351  -5.566  1.000 22.569 0 96  LEU A C   1 ? 
ATOM   716  O  O   . LEU A 1 96  ? -2.230  -8.149  -6.457  1.000 22.422 0 96  LEU A O   1 ? 
ATOM   717  C  CB  . LEU A 1 96  ? -4.101  -6.468  -4.565  1.000 20.065 0 96  LEU A CB  1 ? 
ATOM   718  C  CG  . LEU A 1 96  ? -5.077  -5.300  -4.412  1.000 23.066 0 96  LEU A CG  1 ? 
ATOM   719  C  CD1 . LEU A 1 96  ? -6.346  -5.673  -3.652  1.000 24.946 0 96  LEU A CD1 1 ? 
ATOM   720  C  CD2 . LEU A 1 96  ? -4.411  -4.123  -3.755  1.000 22.900 0 96  LEU A CD2 1 ? 
ATOM   721  N  N   . ASN A 1 97  ? -0.856  -7.423  -4.779  1.000 22.697 0 97  ASN A N   1 ? 
ATOM   722  C  CA  . ASN A 1 97  ? 0.180   -8.461  -4.850  1.000 26.244 0 97  ASN A CA  1 ? 
ATOM   723  C  C   . ASN A 1 97  ? 0.815   -8.597  -3.452  1.000 27.309 0 97  ASN A C   1 ? 
ATOM   724  O  O   . ASN A 1 97  ? 0.222   -8.180  -2.461  1.000 27.226 0 97  ASN A O   1 ? 
ATOM   725  C  CB  . ASN A 1 97  ? 1.144   -8.171  -6.003  1.000 25.761 0 97  ASN A CB  1 ? 
ATOM   726  C  CG  . ASN A 1 97  ? 1.657   -6.742  -5.992  1.000 29.993 0 97  ASN A CG  1 ? 
ATOM   727  O  OD1 . ASN A 1 97  ? 1.480   -5.988  -6.953  1.000 36.131 0 97  ASN A OD1 1 ? 
ATOM   728  N  ND2 . ASN A 1 97  ? 2.322   -6.343  -4.927  1.000 24.775 0 97  ASN A ND2 1 ? 
ATOM   729  N  N   . SER A 1 98  ? 2.022   -9.165  -3.330  1.000 26.897 0 98  SER A N   1 ? 
ATOM   730  C  CA  . SER A 1 98  ? 2.598   -9.371  -2.005  1.000 26.468 0 98  SER A CA  1 ? 
ATOM   731  C  C   . SER A 1 98  ? 3.142   -8.063  -1.431  1.000 22.603 0 98  SER A C   1 ? 
ATOM   732  O  O   . SER A 1 98  ? 3.316   -7.967  -0.223  1.000 26.365 0 98  SER A O   1 ? 
ATOM   733  C  CB  . SER A 1 98  ? 3.683   -10.441 -2.004  1.000 24.513 0 98  SER A CB  1 ? 
ATOM   734  O  OG  . SER A 1 98  ? 4.776   -10.039 -2.813  1.000 28.225 0 98  SER A OG  1 ? 
ATOM   735  N  N   . ARG A 1 99  ? 3.450   -7.081  -2.298  1.000 21.223 0 99  ARG A N   1 ? 
ATOM   736  C  CA  . ARG A 1 99  ? 4.037   -5.819  -1.877  1.000 20.678 0 99  ARG A CA  1 ? 
ATOM   737  C  C   . ARG A 1 99  ? 2.987   -4.724  -1.735  1.000 18.753 0 99  ARG A C   1 ? 
ATOM   738  O  O   . ARG A 1 99  ? 3.284   -3.656  -1.186  1.000 19.126 0 99  ARG A O   1 ? 
ATOM   739  C  CB  . ARG A 1 99  ? 5.096   -5.373  -2.884  1.000 23.872 0 99  ARG A CB  1 ? 
ATOM   740  C  CG  . ARG A 1 99  ? 6.229   -6.389  -2.904  1.000 27.831 0 99  ARG A CG  1 ? 
ATOM   741  C  CD  . ARG A 1 99  ? 7.379   -5.869  -3.698  1.000 28.624 0 99  ARG A CD  1 ? 
ATOM   742  N  NE  . ARG A 1 99  ? 8.325   -6.959  -3.959  1.000 28.125 0 99  ARG A NE  1 ? 
ATOM   743  C  CZ  . ARG A 1 99  ? 9.465   -7.163  -3.321  1.000 31.762 0 99  ARG A CZ  1 ? 
ATOM   744  N  NH1 . ARG A 1 99  ? 9.819   -6.429  -2.270  1.000 29.535 0 99  ARG A NH1 1 ? 
ATOM   745  N  NH2 . ARG A 1 99  ? 10.248  -8.149  -3.744  1.000 33.884 0 99  ARG A NH2 1 ? 
ATOM   746  N  N   . VAL A 1 100 ? 1.791   -4.963  -2.286  1.000 15.856 0 100 VAL A N   1 ? 
ATOM   747  C  CA  . VAL A 1 100 ? 0.711   -3.996  -2.216  1.000 14.372 0 100 VAL A CA  1 ? 
ATOM   748  C  C   . VAL A 1 100 ? -0.561  -4.754  -1.878  1.000 14.641 0 100 VAL A C   1 ? 
ATOM   749  O  O   . VAL A 1 100 ? -0.997  -5.608  -2.637  1.000 14.079 0 100 VAL A O   1 ? 
ATOM   750  C  CB  . VAL A 1 100 ? 0.568   -3.147  -3.490  1.000 13.662 0 100 VAL A CB  1 ? 
ATOM   751  C  CG1 . VAL A 1 100 ? -0.591  -2.161  -3.377  1.000 13.822 0 100 VAL A CG1 1 ? 
ATOM   752  C  CG2 . VAL A 1 100 ? 1.872   -2.410  -3.817  1.000 14.678 0 100 VAL A CG2 1 ? 
ATOM   753  N  N   . ALA A 1 101 ? -1.087  -4.501  -0.682  1.000 13.176 0 101 ALA A N   1 ? 
ATOM   754  C  CA  . ALA A 1 101 ? -2.155  -5.321  -0.138  1.000 13.555 0 101 ALA A CA  1 ? 
ATOM   755  C  C   . ALA A 1 101 ? -3.021  -4.464  0.759   1.000 13.896 0 101 ALA A C   1 ? 
ATOM   756  O  O   . ALA A 1 101 ? -2.505  -3.558  1.415   1.000 14.072 0 101 ALA A O   1 ? 
ATOM   757  C  CB  . ALA A 1 101 ? -1.632  -6.481  0.664   1.000 13.644 0 101 ALA A CB  1 ? 
ATOM   758  N  N   . SER A 1 102 ? -4.308  -4.833  0.866   1.000 12.162 0 102 SER A N   1 ? 
ATOM   759  C  CA  . SER A 1 102 ? -5.226  -4.105  1.726   1.000 12.563 0 102 SER A CA  1 ? 
ATOM   760  C  C   . SER A 1 102 ? -5.220  -4.640  3.154   1.000 12.815 0 102 SER A C   1 ? 
ATOM   761  O  O   . SER A 1 102 ? -4.866  -5.795  3.395   1.000 12.771 0 102 SER A O   1 ? 
ATOM   762  C  CB  . SER A 1 102 ? -6.610  -4.135  1.181   1.000 12.809 0 102 SER A CB  1 ? 
ATOM   763  O  OG  . SER A 1 102 ? -7.066  -5.465  1.009   1.000 15.054 0 102 SER A OG  1 ? 
ATOM   764  N  N   . ILE A 1 103 ? -5.597  -3.767  4.102   1.000 11.209 0 103 ILE A N   1 ? 
ATOM   765  C  CA  . ILE A 1 103 ? -5.742  -4.115  5.510   1.000 11.566 0 103 ILE A CA  1 ? 
ATOM   766  C  C   . ILE A 1 103 ? -7.235  -4.174  5.855   1.000 12.747 0 103 ILE A C   1 ? 
ATOM   767  O  O   . ILE A 1 103 ? -8.017  -3.347  5.433   1.000 14.935 0 103 ILE A O   1 ? 
ATOM   768  C  CB  . ILE A 1 103 ? -4.980  -3.124  6.429   1.000 13.208 0 103 ILE A CB  1 ? 
ATOM   769  C  CG1 . ILE A 1 103 ? -5.041  -3.553  7.869   1.000 12.866 0 103 ILE A CG1 1 ? 
ATOM   770  C  CG2 . ILE A 1 103 ? -5.473  -1.695  6.303   1.000 13.401 0 103 ILE A CG2 1 ? 
ATOM   771  C  CD1 . ILE A 1 103 ? -4.242  -4.789  8.150   1.000 13.674 0 103 ILE A CD1 1 ? 
ATOM   772  N  N   . SER A 1 104 ? -7.625  -5.178  6.653   1.000 13.086 0 104 SER A N   1 ? 
ATOM   773  C  CA  . SER A 1 104 ? -9.001  -5.356  7.089   1.000 14.470 0 104 SER A CA  1 ? 
ATOM   774  C  C   . SER A 1 104 ? -9.458  -4.249  8.035   1.000 13.140 0 104 SER A C   1 ? 
ATOM   775  O  O   . SER A 1 104 ? -8.702  -3.801  8.891   1.000 13.326 0 104 SER A O   1 ? 
ATOM   776  C  CB  . SER A 1 104 ? -9.165  -6.708  7.765   1.000 17.937 0 104 SER A CB  1 ? 
ATOM   777  O  OG  . SER A 1 104 ? -9.112  -7.731  6.782   1.000 23.939 0 104 SER A OG  1 ? 
ATOM   778  N  N   . LEU A 1 105 ? -10.728 -3.880  7.890   1.000 12.939 0 105 LEU A N   1 ? 
ATOM   779  C  CA  . LEU A 1 105 ? -11.368 -2.989  8.832   1.000 14.145 0 105 LEU A CA  1 ? 
ATOM   780  C  C   . LEU A 1 105 ? -11.843 -3.798  10.029  1.000 15.406 0 105 LEU A C   1 ? 
ATOM   781  O  O   . LEU A 1 105 ? -12.163 -4.977  9.863   1.000 16.018 0 105 LEU A O   1 ? 
ATOM   782  C  CB  . LEU A 1 105 ? -12.569 -2.337  8.151   1.000 15.267 0 105 LEU A CB  1 ? 
ATOM   783  C  CG  . LEU A 1 105 ? -12.256 -1.274  7.096   1.000 15.759 0 105 LEU A CG  1 ? 
ATOM   784  C  CD1 . LEU A 1 105 ? -13.583 -0.803  6.518   1.000 18.588 0 105 LEU A CD1 1 ? 
ATOM   785  C  CD2 . LEU A 1 105 ? -11.470 -0.139  7.659   1.000 16.016 0 105 LEU A CD2 1 ? 
ATOM   786  N  N   . PRO A 1 106 ? -11.894 -3.202  11.235  1.000 14.414 0 106 PRO A N   1 ? 
ATOM   787  C  CA  . PRO A 1 106 ? -12.294 -3.932  12.445  1.000 15.314 0 106 PRO A CA  1 ? 
ATOM   788  C  C   . PRO A 1 106 ? -13.797 -4.229  12.456  1.000 18.474 0 106 PRO A C   1 ? 
ATOM   789  O  O   . PRO A 1 106 ? -14.588 -3.463  11.928  1.000 19.395 0 106 PRO A O   1 ? 
ATOM   790  C  CB  . PRO A 1 106 ? -11.861 -2.996  13.580  1.000 16.077 0 106 PRO A CB  1 ? 
ATOM   791  C  CG  . PRO A 1 106 ? -11.873 -1.624  12.978  1.000 15.378 0 106 PRO A CG  1 ? 
ATOM   792  C  CD  . PRO A 1 106 ? -11.584 -1.795  11.489  1.000 15.068 0 106 PRO A CD  1 ? 
ATOM   793  N  N   . THR A 1 107 ? -14.183 -5.366  13.020  1.000 20.984 0 107 THR A N   1 ? 
ATOM   794  C  CA  . THR A 1 107 ? -15.586 -5.606  13.297  1.000 23.902 0 107 THR A CA  1 ? 
ATOM   795  C  C   . THR A 1 107 ? -15.840 -5.283  14.764  1.000 24.292 0 107 THR A C   1 ? 
ATOM   796  O  O   . THR A 1 107 ? -16.957 -4.957  15.134  1.000 30.800 0 107 THR A O   1 ? 
ATOM   797  C  CB  . THR A 1 107 ? -16.012 -7.032  12.962  1.000 25.731 0 107 THR A CB  1 ? 
ATOM   798  O  OG1 . THR A 1 107 ? -15.196 -7.851  13.783  1.000 31.287 0 107 THR A OG1 1 ? 
ATOM   799  C  CG2 . THR A 1 107 ? -15.833 -7.376  11.498  1.000 30.954 0 107 THR A CG2 1 ? 
ATOM   800  N  N   . SER A 1 108 ? -14.806 -5.430  15.587  1.000 24.304 0 108 SER A N   1 ? 
ATOM   801  C  CA  . SER A 1 108 ? -14.859 -5.158  17.010  1.000 24.150 0 108 SER A CA  1 ? 
ATOM   802  C  C   . SER A 1 108 ? -13.739 -4.174  17.340  1.000 21.478 0 108 SER A C   1 ? 
ATOM   803  O  O   . SER A 1 108 ? -12.727 -4.154  16.643  1.000 19.465 0 108 SER A O   1 ? 
ATOM   804  C  CB  . SER A 1 108 ? -14.774 -6.462  17.780  1.000 27.971 0 108 SER A CB  1 ? 
ATOM   805  O  OG  . SER A 1 108 ? -13.856 -6.391  18.851  1.000 35.473 0 108 SER A OG  1 ? 
ATOM   806  N  N   . CYS A 1 109 ? -13.978 -3.287  18.312  1.000 17.401 0 109 CYS A N   1 ? 
ATOM   807  C  CA  . CYS A 1 109 ? -12.959 -2.351  18.755  1.000 16.858 0 109 CYS A CA  1 ? 
ATOM   808  C  C   . CYS A 1 109 ? -11.842 -3.033  19.546  1.000 20.268 0 109 CYS A C   1 ? 
ATOM   809  O  O   . CYS A 1 109 ? -12.049 -4.076  20.153  1.000 19.494 0 109 CYS A O   1 ? 
ATOM   810  C  CB  . CYS A 1 109 ? -13.491 -1.248  19.652  1.000 16.498 0 109 CYS A CB  1 ? 
ATOM   811  S  SG  . CYS A 1 109 ? -14.771 -0.255  18.859  1.000 14.626 0 109 CYS A SG  1 ? 
ATOM   812  N  N   . ALA A 1 110 ? -10.669 -2.399  19.570  1.000 18.411 0 110 ALA A N   1 ? 
ATOM   813  C  CA  . ALA A 1 110 ? -9.518  -3.014  20.208  1.000 19.759 0 110 ALA A CA  1 ? 
ATOM   814  C  C   . ALA A 1 110 ? -9.524  -2.693  21.695  1.000 21.635 0 110 ALA A C   1 ? 
ATOM   815  O  O   . ALA A 1 110 ? -10.240 -1.803  22.123  1.000 23.565 0 110 ALA A O   1 ? 
ATOM   816  C  CB  . ALA A 1 110 ? -8.251  -2.552  19.572  1.000 23.158 0 110 ALA A CB  1 ? 
ATOM   817  N  N   . SER A 1 111 ? -8.717  -3.440  22.440  1.000 21.773 0 111 SER A N   1 ? 
ATOM   818  C  CA  . SER A 1 111 ? -8.742  -3.395  23.894  1.000 26.093 0 111 SER A CA  1 ? 
ATOM   819  C  C   . SER A 1 111 ? -7.416  -2.832  24.408  1.000 18.225 0 111 SER A C   1 ? 
ATOM   820  O  O   . SER A 1 111 ? -6.377  -3.072  23.809  1.000 16.548 0 111 SER A O   1 ? 
ATOM   821  C  CB  . SER A 1 111 ? -8.996  -4.783  24.479  1.000 30.660 0 111 SER A CB  1 ? 
ATOM   822  O  OG  . SER A 1 111 ? -9.998  -5.530  23.791  1.000 36.666 0 111 SER A OG  1 ? 
ATOM   823  N  N   . ALA A 1 112 ? -7.490  -2.127  25.538  1.000 17.924 0 112 ALA A N   1 ? 
ATOM   824  C  CA  . ALA A 1 112 ? -6.331  -1.719  26.305  1.000 16.346 0 112 ALA A CA  1 ? 
ATOM   825  C  C   . ALA A 1 112 ? -5.378  -2.892  26.485  1.000 16.183 0 112 ALA A C   1 ? 
ATOM   826  O  O   . ALA A 1 112 ? -5.802  -4.029  26.732  1.000 17.327 0 112 ALA A O   1 ? 
ATOM   827  C  CB  . ALA A 1 112 ? -6.755  -1.171  27.652  1.000 17.113 0 112 ALA A CB  1 ? 
ATOM   828  N  N   . GLY A 1 113 ? -4.080  -2.584  26.385  1.000 14.828 0 113 GLY A N   1 ? 
ATOM   829  C  CA  . GLY A 1 113 ? -3.048  -3.578  26.553  1.000 14.786 0 113 GLY A CA  1 ? 
ATOM   830  C  C   . GLY A 1 113 ? -2.682  -4.332  25.276  1.000 16.049 0 113 GLY A C   1 ? 
ATOM   831  O  O   . GLY A 1 113 ? -1.654  -4.997  25.236  1.000 18.551 0 113 GLY A O   1 ? 
ATOM   832  N  N   . THR A 1 114 ? -3.499  -4.222  24.219  1.000 14.910 0 114 THR A N   1 ? 
ATOM   833  C  CA  . THR A 1 114 ? -3.130  -4.827  22.941  1.000 15.315 0 114 THR A CA  1 ? 
ATOM   834  C  C   . THR A 1 114 ? -1.930  -4.091  22.345  1.000 16.479 0 114 THR A C   1 ? 
ATOM   835  O  O   . THR A 1 114 ? -1.891  -2.856  22.316  1.000 14.852 0 114 THR A O   1 ? 
ATOM   836  C  CB  . THR A 1 114 ? -4.343  -4.851  22.004  1.000 16.693 0 114 THR A CB  1 ? 
ATOM   837  O  OG1 . THR A 1 114 ? -5.344  -5.628  22.679  1.000 18.955 0 114 THR A OG1 1 ? 
ATOM   838  C  CG2 . THR A 1 114 ? -4.003  -5.477  20.662  1.000 17.822 0 114 THR A CG2 1 ? 
ATOM   839  N  N   . GLN A 1 115 ? -0.947  -4.864  21.881  1.000 16.503 0 115 GLN A N   1 ? 
ATOM   840  C  CA  . GLN A 1 115 ? 0.192   -4.332  21.153  1.000 18.257 0 115 GLN A CA  1 ? 
ATOM   841  C  C   . GLN A 1 115 ? -0.164  -4.141  19.675  1.000 16.462 0 115 GLN A C   1 ? 
ATOM   842  O  O   . GLN A 1 115 ? -0.717  -5.019  19.012  1.000 17.400 0 115 GLN A O   1 ? 
ATOM   843  C  CB  . GLN A 1 115 ? 1.399   -5.261  21.285  1.000 22.149 0 115 GLN A CB  1 ? 
ATOM   844  C  CG  . GLN A 1 115 ? 1.913   -5.371  22.712  1.000 26.265 0 115 GLN A CG  1 ? 
ATOM   845  C  CD  . GLN A 1 115 ? 2.719   -4.171  23.131  1.000 30.568 0 115 GLN A CD  1 ? 
ATOM   846  O  OE1 . GLN A 1 115 ? 3.180   -3.378  22.301  1.000 32.981 0 115 GLN A OE1 1 ? 
ATOM   847  N  NE2 . GLN A 1 115 ? 2.903   -4.038  24.438  1.000 38.037 0 115 GLN A NE2 1 ? 
ATOM   848  N  N   . CYS A 1 116 ? 0.137   -2.959  19.152  1.000 13.245 0 116 CYS A N   1 ? 
ATOM   849  C  CA  . CYS A 1 116 ? -0.199  -2.613  17.778  1.000 12.170 0 116 CYS A CA  1 ? 
ATOM   850  C  C   . CYS A 1 116 ? 1.058   -2.208  17.017  1.000 11.914 0 116 CYS A C   1 ? 
ATOM   851  O  O   . CYS A 1 116 ? 2.083   -1.887  17.626  1.000 13.191 0 116 CYS A O   1 ? 
ATOM   852  C  CB  . CYS A 1 116 ? -1.177  -1.447  17.752  1.000 12.908 0 116 CYS A CB  1 ? 
ATOM   853  S  SG  . CYS A 1 116 ? -2.663  -1.791  18.735  1.000 13.625 0 116 CYS A SG  1 ? 
ATOM   854  N  N   . LEU A 1 117 ? 0.973   -2.209  15.678  1.000 10.054 0 117 LEU A N   1 ? 
ATOM   855  C  CA  . LEU A 1 117 ? 2.080   -1.756  14.835  1.000 10.214 0 117 LEU A CA  1 ? 
ATOM   856  C  C   . LEU A 1 117 ? 1.707   -0.420  14.192  1.000 9.987  0 117 LEU A C   1 ? 
ATOM   857  O  O   . LEU A 1 117 ? 0.654   -0.313  13.556  1.000 8.715  0 117 LEU A O   1 ? 
ATOM   858  C  CB  . LEU A 1 117 ? 2.312   -2.787  13.731  1.000 10.632 0 117 LEU A CB  1 ? 
ATOM   859  C  CG  . LEU A 1 117 ? 3.477   -2.441  12.792  1.000 11.754 0 117 LEU A CG  1 ? 
ATOM   860  C  CD1 . LEU A 1 117 ? 4.794   -2.588  13.528  1.000 13.179 0 117 LEU A CD1 1 ? 
ATOM   861  C  CD2 . LEU A 1 117 ? 3.391   -3.239  11.540  1.000 11.612 0 117 LEU A CD2 1 ? 
ATOM   862  N  N   . ILE A 1 118 ? 2.574   0.573   14.400  1.000 10.066 0 118 ILE A N   1 ? 
ATOM   863  C  CA  . ILE A 1 118 ? 2.397   1.911   13.855  1.000 10.102 0 118 ILE A CA  1 ? 
ATOM   864  C  C   . ILE A 1 118 ? 3.552   2.138   12.894  1.000 10.048 0 118 ILE A C   1 ? 
ATOM   865  O  O   . ILE A 1 118 ? 4.701   1.752   13.165  1.000 10.614 0 118 ILE A O   1 ? 
ATOM   866  C  CB  . ILE A 1 118 ? 2.381   2.944   14.996  1.000 11.396 0 118 ILE A CB  1 ? 
ATOM   867  C  CG1 . ILE A 1 118 ? 1.367   2.549   16.077  1.000 12.154 0 118 ILE A CG1 1 ? 
ATOM   868  C  CG2 . ILE A 1 118 ? 2.158   4.383   14.484  1.000 11.112 0 118 ILE A CG2 1 ? 
ATOM   869  C  CD1 . ILE A 1 118 ? 1.358   3.476   17.272  1.000 15.311 0 118 ILE A CD1 1 ? 
ATOM   870  N  N   . SER A 1 119 ? 3.275   2.790   11.749  1.000 8.750  0 119 SER A N   1 ? 
ATOM   871  C  CA  . SER A 1 119 ? 4.346   2.900   10.774  1.000 9.253  0 119 SER A CA  1 ? 
ATOM   872  C  C   . SER A 1 119 ? 4.260   4.240   10.044  1.000 9.041  0 119 SER A C   1 ? 
ATOM   873  O  O   . SER A 1 119 ? 3.201   4.856   10.027  1.000 10.469 0 119 SER A O   1 ? 
ATOM   874  C  CB  . SER A 1 119 ? 4.319   1.742   9.816   1.000 9.379  0 119 SER A CB  1 ? 
ATOM   875  O  OG  . SER A 1 119 ? 3.021   1.439   9.301   1.000 9.542  0 119 SER A OG  1 ? 
ATOM   876  N  N   . GLY A 1 120 ? 5.392   4.702   9.513   1.000 9.171  0 120 GLY A N   1 ? 
ATOM   877  C  CA  . GLY A 1 120 ? 5.379   5.878   8.657   1.000 8.283  0 120 GLY A CA  1 ? 
ATOM   878  C  C   . GLY A 1 120 ? 6.776   6.436   8.407   1.000 8.157  0 120 GLY A C   1 ? 
ATOM   879  O  O   . GLY A 1 120 ? 7.781   5.909   8.897   1.000 9.952  0 120 GLY A O   1 ? 
ATOM   880  N  N   . TRP A 1 121 ? 6.777   7.510   7.613   1.000 8.082  0 121 TRP A N   1 ? 
ATOM   881  C  CA  . TRP A 1 121 ? 7.965   8.270   7.221   1.000 8.973  0 121 TRP A CA  1 ? 
ATOM   882  C  C   . TRP A 1 121 ? 8.092   9.631   7.916   1.000 9.502  0 121 TRP A C   1 ? 
ATOM   883  O  O   . TRP A 1 121 ? 8.791   10.561  7.416   1.000 10.682 0 121 TRP A O   1 ? 
ATOM   884  C  CB  . TRP A 1 121 ? 7.976   8.467   5.697   1.000 9.318  0 121 TRP A CB  1 ? 
ATOM   885  C  CG  . TRP A 1 121 ? 8.142   7.228   4.870   1.000 8.909  0 121 TRP A CG  1 ? 
ATOM   886  C  CD1 . TRP A 1 121 ? 9.318   6.662   4.468   1.000 8.363  0 121 TRP A CD1 1 ? 
ATOM   887  C  CD2 . TRP A 1 121 ? 7.096   6.436   4.285   1.000 8.421  0 121 TRP A CD2 1 ? 
ATOM   888  N  NE1 . TRP A 1 121 ? 9.079   5.542   3.724   1.000 8.569  0 121 TRP A NE1 1 ? 
ATOM   889  C  CE2 . TRP A 1 121 ? 7.724   5.406   3.541   1.000 8.035  0 121 TRP A CE2 1 ? 
ATOM   890  C  CE3 . TRP A 1 121 ? 5.691   6.507   4.264   1.000 7.854  0 121 TRP A CE3 1 ? 
ATOM   891  C  CZ2 . TRP A 1 121 ? 7.017   4.465   2.826   1.000 7.839  0 121 TRP A CZ2 1 ? 
ATOM   892  C  CZ3 . TRP A 1 121 ? 4.997   5.587   3.514   1.000 8.197  0 121 TRP A CZ3 1 ? 
ATOM   893  C  CH2 . TRP A 1 121 ? 5.645   4.585   2.791   1.000 8.644  0 121 TRP A CH2 1 ? 
ATOM   894  N  N   . GLY A 1 122 ? 7.522   9.748   9.120   1.000 8.371  0 122 GLY A N   1 ? 
ATOM   895  C  CA  . GLY A 1 122 ? 7.591   10.989  9.883   1.000 8.342  0 122 GLY A CA  1 ? 
ATOM   896  C  C   . GLY A 1 122 ? 8.916   11.177  10.638  1.000 9.234  0 122 GLY A C   1 ? 
ATOM   897  O  O   . GLY A 1 122 ? 9.807   10.355  10.616  1.000 8.612  0 122 GLY A O   1 ? 
ATOM   898  N  N   . ASN A 1 123 ? 8.992   12.300  11.330  1.000 10.089 0 123 ASN A N   1 ? 
ATOM   899  C  CA  . ASN A 1 123 ? 10.174  12.708  12.069  1.000 11.290 0 123 ASN A CA  1 ? 
ATOM   900  C  C   . ASN A 1 123 ? 10.585  11.631  13.053  1.000 11.403 0 123 ASN A C   1 ? 
ATOM   901  O  O   . ASN A 1 123 ? 9.737   10.990  13.675  1.000 10.109 0 123 ASN A O   1 ? 
ATOM   902  C  CB  . ASN A 1 123 ? 9.865   14.015  12.783  1.000 12.650 0 123 ASN A CB  1 ? 
ATOM   903  C  CG  . ASN A 1 123 ? 11.067  14.769  13.296  1.000 15.524 0 123 ASN A CG  1 ? 
ATOM   904  O  OD1 . ASN A 1 123 ? 12.198  14.275  13.329  1.000 15.815 0 123 ASN A OD1 1 ? 
ATOM   905  N  ND2 . ASN A 1 123 ? 10.800  15.993  13.715  1.000 21.768 0 123 ASN A ND2 1 ? 
ATOM   906  N  N   . THR A 1 124 ? 11.917  11.419  13.128  1.000 11.825 0 124 THR A N   1 ? 
ATOM   907  C  CA  . THR A 1 124 ? 12.484  10.416  14.015  1.000 12.494 0 124 THR A CA  1 ? 
ATOM   908  C  C   . THR A 1 124 ? 13.106  11.033  15.273  1.000 14.649 0 124 THR A C   1 ? 
ATOM   909  O  O   . THR A 1 124 ? 13.573  10.286  16.119  1.000 14.209 0 124 THR A O   1 ? 
ATOM   910  C  CB  . THR A 1 124 ? 13.509  9.542   13.307  1.000 12.776 0 124 THR A CB  1 ? 
ATOM   911  O  OG1 . THR A 1 124 ? 14.630  10.400  13.012  1.000 14.592 0 124 THR A OG1 1 ? 
ATOM   912  C  CG2 . THR A 1 124 ? 12.931  8.760   12.134  1.000 12.727 0 124 THR A CG2 1 ? 
ATOM   913  N  N   . LYS A 1 125 ? 13.026  12.340  15.469  1.000 18.472 0 125 LYS A N   1 ? 
ATOM   914  C  CA  . LYS A 1 125 ? 13.558  12.946  16.686  1.000 25.876 0 125 LYS A CA  1 ? 
ATOM   915  C  C   . LYS A 1 125 ? 12.466  13.590  17.539  1.000 30.451 0 125 LYS A C   1 ? 
ATOM   916  O  O   . LYS A 1 125 ? 11.450  14.058  17.011  1.000 27.889 0 125 LYS A O   1 ? 
ATOM   917  C  CB  . LYS A 1 125 ? 14.527  14.058  16.289  1.000 28.608 0 125 LYS A CB  1 ? 
ATOM   918  C  CG  . LYS A 1 125 ? 15.608  13.674  15.305  1.000 33.635 0 125 LYS A CG  1 ? 
ATOM   919  C  CD  . LYS A 1 125 ? 16.690  12.739  15.817  1.000 37.092 0 125 LYS A CD  1 ? 
ATOM   920  C  CE  . LYS A 1 125 ? 18.026  13.197  15.262  1.000 36.178 0 125 LYS A CE  1 ? 
ATOM   921  N  NZ  . LYS A 1 125 ? 19.106  12.300  15.653  1.000 38.373 0 125 LYS A NZ  1 ? 
ATOM   922  N  N   . SER A 1 126 ? 12.751  13.692  18.854  1.000 39.659 0 126 SER A N   1 ? 
ATOM   923  C  CA  . SER A 1 126 ? 11.822  14.180  19.874  1.000 46.154 0 126 SER A CA  1 ? 
ATOM   924  C  C   . SER A 1 126 ? 11.726  15.707  19.879  1.000 50.058 0 126 SER A C   1 ? 
ATOM   925  O  O   . SER A 1 126 ? 10.651  16.240  20.148  1.000 51.330 0 126 SER A O   1 ? 
ATOM   926  C  CB  . SER A 1 126 ? 12.219  13.706  21.276  1.000 49.360 0 126 SER A CB  1 ? 
ATOM   927  O  OG  . SER A 1 126 ? 12.822  12.419  21.281  1.000 50.124 0 126 SER A OG  1 ? 
ATOM   928  N  N   . SER A 1 127 ? 12.861  16.400  19.677  1.000 55.048 0 127 SER A N   1 ? 
ATOM   929  C  CA  . SER A 1 127 ? 12.872  17.858  19.586  1.000 60.850 0 127 SER A CA  1 ? 
ATOM   930  C  C   . SER A 1 127 ? 13.739  18.358  18.422  1.000 57.297 0 127 SER A C   1 ? 
ATOM   931  O  O   . SER A 1 127 ? 13.506  19.459  17.913  1.000 58.487 0 127 SER A O   1 ? 
ATOM   932  C  CB  . SER A 1 127 ? 13.294  18.490  20.902  1.000 72.106 0 127 SER A CB  1 ? 
ATOM   933  O  OG  . SER A 1 127 ? 13.094  19.902  20.891  1.000 77.486 0 127 SER A OG  1 ? 
ATOM   934  N  N   . GLY A 1 128 ? 14.751  17.577  18.016  1.000 47.878 0 128 GLY A N   1 ? 
ATOM   935  C  CA  . GLY A 1 128 ? 15.454  17.826  16.766  1.000 44.071 0 128 GLY A CA  1 ? 
ATOM   936  C  C   . GLY A 1 128 ? 14.551  17.568  15.557  1.000 38.556 0 128 GLY A C   1 ? 
ATOM   937  O  O   . GLY A 1 128 ? 13.334  17.416  15.698  1.000 36.219 0 128 GLY A O   1 ? 
ATOM   938  N  N   . THR A 1 129 ? 15.148  17.542  14.358  1.000 29.132 0 129 THR A N   1 ? 
ATOM   939  C  CA  . THR A 1 129 ? 14.413  17.167  13.159  1.000 27.875 0 129 THR A CA  1 ? 
ATOM   940  C  C   . THR A 1 129 ? 15.260  16.267  12.268  1.000 23.088 0 129 THR A C   1 ? 
ATOM   941  O  O   . THR A 1 129 ? 16.330  16.652  11.818  1.000 19.286 0 129 THR A O   1 ? 
ATOM   942  C  CB  . THR A 1 129 ? 13.971  18.423  12.405  1.000 31.323 0 129 THR A CB  1 ? 
ATOM   943  O  OG1 . THR A 1 129 ? 13.142  19.135  13.313  1.000 36.985 0 129 THR A OG1 1 ? 
ATOM   944  C  CG2 . THR A 1 129 ? 13.123  18.085  11.200  1.000 32.899 0 129 THR A CG2 1 ? 
ATOM   945  N  N   . SER A 1 130 ? 14.737  15.076  11.965  1.000 18.436 0 130 SER A N   1 ? 
ATOM   946  C  CA  . SER A 1 130 ? 15.358  14.176  11.012  1.000 18.052 0 130 SER A CA  1 ? 
ATOM   947  C  C   . SER A 1 130 ? 14.280  13.293  10.409  1.000 16.058 0 130 SER A C   1 ? 
ATOM   948  O  O   . SER A 1 130 ? 13.674  12.495  11.121  1.000 14.819 0 130 SER A O   1 ? 
ATOM   949  C  CB  . SER A 1 130 ? 16.472  13.320  11.599  1.000 19.895 0 130 SER A CB  1 ? 
ATOM   950  O  OG  . SER A 1 130 ? 17.107  12.570  10.565  1.000 18.648 0 130 SER A OG  1 ? 
ATOM   951  N  N   . TYR A 1 131 ? 14.076  13.421  9.095   1.000 13.730 0 131 TYR A N   1 ? 
ATOM   952  C  CA  . TYR A 1 131 ? 13.094  12.608  8.401   1.000 14.433 0 131 TYR A CA  1 ? 
ATOM   953  C  C   . TYR A 1 131 ? 13.747  11.470  7.640   1.000 14.666 0 131 TYR A C   1 ? 
ATOM   954  O  O   . TYR A 1 131 ? 14.663  11.696  6.839   1.000 15.961 0 131 TYR A O   1 ? 
ATOM   955  C  CB  . TYR A 1 131 ? 12.335  13.550  7.462   1.000 15.022 0 131 TYR A CB  1 ? 
ATOM   956  C  CG  . TYR A 1 131 ? 11.355  14.451  8.188   1.000 16.570 0 131 TYR A CG  1 ? 
ATOM   957  C  CD1 . TYR A 1 131 ? 11.764  15.638  8.761   1.000 17.710 0 131 TYR A CD1 1 ? 
ATOM   958  C  CD2 . TYR A 1 131 ? 10.017  14.092  8.332   1.000 18.476 0 131 TYR A CD2 1 ? 
ATOM   959  C  CE1 . TYR A 1 131 ? 10.881  16.445  9.464   1.000 18.887 0 131 TYR A CE1 1 ? 
ATOM   960  C  CE2 . TYR A 1 131 ? 9.125   14.891  9.030   1.000 19.683 0 131 TYR A CE2 1 ? 
ATOM   961  C  CZ  . TYR A 1 131 ? 9.564   16.060  9.617   1.000 19.827 0 131 TYR A CZ  1 ? 
ATOM   962  O  OH  . TYR A 1 131 ? 8.733   16.888  10.313  1.000 21.008 0 131 TYR A OH  1 ? 
ATOM   963  N  N   . PRO A 1 132 ? 13.219  10.235  7.780   1.000 14.159 0 132 PRO A N   1 ? 
ATOM   964  C  CA  . PRO A 1 132 ? 13.809  9.070   7.139   1.000 13.440 0 132 PRO A CA  1 ? 
ATOM   965  C  C   . PRO A 1 132 ? 13.378  8.964   5.683   1.000 13.370 0 132 PRO A C   1 ? 
ATOM   966  O  O   . PRO A 1 132 ? 12.345  9.498   5.274   1.000 15.048 0 132 PRO A O   1 ? 
ATOM   967  C  CB  . PRO A 1 132 ? 13.260  7.931   7.973   1.000 13.774 0 132 PRO A CB  1 ? 
ATOM   968  C  CG  . PRO A 1 132 ? 11.853  8.393   8.304   1.000 14.025 0 132 PRO A CG  1 ? 
ATOM   969  C  CD  . PRO A 1 132 ? 12.010  9.899   8.555   1.000 13.081 0 132 PRO A CD  1 ? 
ATOM   970  N  N   . ASP A 1 133 ? 14.169  8.213   4.935   1.000 14.850 0 133 ASP A N   1 ? 
ATOM   971  C  CA  . ASP A 1 133 ? 13.871  7.855   3.565   1.000 14.969 0 133 ASP A CA  1 ? 
ATOM   972  C  C   . ASP A 1 133 ? 13.113  6.519   3.517   1.000 12.821 0 133 ASP A C   1 ? 
ATOM   973  O  O   . ASP A 1 133 ? 12.220  6.380   2.670   1.000 12.365 0 133 ASP A O   1 ? 
ATOM   974  C  CB  . ASP A 1 133 ? 15.125  7.918   2.701   1.000 14.836 0 133 ASP A CB  1 ? 
ATOM   975  C  CG  . ASP A 1 133 ? 15.787  9.300   2.627   1.000 18.395 0 133 ASP A CG  1 ? 
ATOM   976  O  OD1 . ASP A 1 133 ? 15.058  10.315  2.470   1.000 20.113 0 133 ASP A OD1 1 ? 
ATOM   977  O  OD2 . ASP A 1 133 ? 17.050  9.359   2.686   1.000 18.179 0 133 ASP A OD2 1 ? 
ATOM   978  N  N   . VAL A 1 134 ? 13.389  5.578   4.442   1.000 11.678 0 134 VAL A N   1 ? 
ATOM   979  C  CA  . VAL A 1 134 ? 12.766  4.247   4.439   1.000 11.167 0 134 VAL A CA  1 ? 
ATOM   980  C  C   . VAL A 1 134 ? 11.705  4.146   5.537   1.000 10.872 0 134 VAL A C   1 ? 
ATOM   981  O  O   . VAL A 1 134 ? 11.717  4.906   6.501   1.000 12.519 0 134 VAL A O   1 ? 
ATOM   982  C  CB  . VAL A 1 134 ? 13.752  3.080   4.576   1.000 13.160 0 134 VAL A CB  1 ? 
ATOM   983  C  CG1 . VAL A 1 134 ? 14.662  3.040   3.359   1.000 13.761 0 134 VAL A CG1 1 ? 
ATOM   984  C  CG2 . VAL A 1 134 ? 14.544  3.129   5.871   1.000 14.397 0 134 VAL A CG2 1 ? 
ATOM   985  N  N   . LEU A 1 135 ? 10.754  3.231   5.365   1.000 10.496 0 135 LEU A N   1 ? 
ATOM   986  C  CA  . LEU A 1 135 ? 9.633   3.171   6.283   1.000 9.736  0 135 LEU A CA  1 ? 
ATOM   987  C  C   . LEU A 1 135 ? 10.074  2.695   7.668   1.000 11.381 0 135 LEU A C   1 ? 
ATOM   988  O  O   . LEU A 1 135 ? 10.808  1.702   7.811   1.000 12.294 0 135 LEU A O   1 ? 
ATOM   989  C  CB  . LEU A 1 135 ? 8.560   2.227   5.739   1.000 9.602  0 135 LEU A CB  1 ? 
ATOM   990  C  CG  . LEU A 1 135 ? 7.251   2.175   6.527   1.000 9.743  0 135 LEU A CG  1 ? 
ATOM   991  C  CD1 . LEU A 1 135 ? 6.564   3.535   6.449   1.000 9.793  0 135 LEU A CD1 1 ? 
ATOM   992  C  CD2 . LEU A 1 135 ? 6.401   1.064   5.989   1.000 10.804 0 135 LEU A CD2 1 ? 
ATOM   993  N  N   . LYS A 1 136 ? 9.579   3.402   8.697   1.000 9.889  0 136 LYS A N   1 ? 
ATOM   994  C  CA  . LYS A 1 136 ? 9.872   3.054   10.075  1.000 10.965 0 136 LYS A CA  1 ? 
ATOM   995  C  C   . LYS A 1 136 ? 8.627   2.474   10.736  1.000 10.355 0 136 LYS A C   1 ? 
ATOM   996  O  O   . LYS A 1 136 ? 7.486   2.748   10.348  1.000 8.677  0 136 LYS A O   1 ? 
ATOM   997  C  CB  . LYS A 1 136 ? 10.302  4.309   10.837  1.000 11.540 0 136 LYS A CB  1 ? 
ATOM   998  C  CG  . LYS A 1 136 ? 11.629  4.937   10.400  1.000 13.499 0 136 LYS A CG  1 ? 
ATOM   999  C  CD  . LYS A 1 136 ? 12.826  4.015   10.579  1.000 15.445 0 136 LYS A CD  1 ? 
ATOM   1000 C  CE  . LYS A 1 136 ? 14.124  4.613   10.127  1.000 20.658 0 136 LYS A CE  1 ? 
ATOM   1001 N  NZ  . LYS A 1 136 ? 15.194  3.777   10.704  1.000 22.967 0 136 LYS A NZ  1 ? 
ATOM   1002 N  N   . CYS A 1 137 ? 8.884   1.629   11.765  1.000 9.416  0 137 CYS A N   1 ? 
ATOM   1003 C  CA  . CYS A 1 137 ? 7.828   0.907   12.461  1.000 9.873  0 137 CYS A CA  1 ? 
ATOM   1004 C  C   . CYS A 1 137 ? 8.003   1.081   13.964  1.000 9.283  0 137 CYS A C   1 ? 
ATOM   1005 O  O   . CYS A 1 137 ? 9.102   1.355   14.456  1.000 9.374  0 137 CYS A O   1 ? 
ATOM   1006 C  CB  . CYS A 1 137 ? 7.908   -0.582  12.154  1.000 10.020 0 137 CYS A CB  1 ? 
ATOM   1007 S  SG  . CYS A 1 137 ? 7.186   -1.103  10.581  1.000 10.662 0 137 CYS A SG  1 ? 
ATOM   1008 N  N   . LEU A 1 138 ? 6.898   0.872   14.697  1.000 10.390 0 138 LEU A N   1 ? 
ATOM   1009 C  CA  . LEU A 1 138 ? 6.907   0.978   16.140  1.000 11.105 0 138 LEU A CA  1 ? 
ATOM   1010 C  C   . LEU A 1 138 ? 5.856   0.015   16.681  1.000 10.866 0 138 LEU A C   1 ? 
ATOM   1011 O  O   . LEU A 1 138 ? 4.703   0.035   16.232  1.000 10.546 0 138 LEU A O   1 ? 
ATOM   1012 C  CB  . LEU A 1 138 ? 6.567   2.399   16.565  1.000 11.652 0 138 LEU A CB  1 ? 
ATOM   1013 C  CG  . LEU A 1 138 ? 6.488   2.650   18.077  1.000 13.280 0 138 LEU A CG  1 ? 
ATOM   1014 C  CD1 . LEU A 1 138 ? 7.867   2.478   18.650  1.000 14.190 0 138 LEU A CD1 1 ? 
ATOM   1015 C  CD2 . LEU A 1 138 ? 5.959   4.045   18.434  1.000 13.947 0 138 LEU A CD2 1 ? 
ATOM   1016 N  N   . LYS A 1 139 ? 6.252   -0.800  17.671  1.000 11.378 0 139 LYS A N   1 ? 
ATOM   1017 C  CA  . LYS A 1 139 ? 5.260   -1.519  18.446  1.000 12.498 0 139 LYS A CA  1 ? 
ATOM   1018 C  C   . LYS A 1 139 ? 4.861   -0.685  19.645  1.000 11.243 0 139 LYS A C   1 ? 
ATOM   1019 O  O   . LYS A 1 139 ? 5.721   -0.174  20.371  1.000 11.057 0 139 LYS A O   1 ? 
ATOM   1020 C  CB  . LYS A 1 139 ? 5.812   -2.869  18.921  1.000 15.469 0 139 LYS A CB  1 ? 
ATOM   1021 C  CG  . LYS A 1 139 ? 6.090   -3.739  17.718  1.000 20.761 0 139 LYS A CG  1 ? 
ATOM   1022 C  CD  . LYS A 1 139 ? 6.137   -5.215  18.024  1.000 26.513 0 139 LYS A CD  1 ? 
ATOM   1023 C  CE  . LYS A 1 139 ? 5.968   -5.969  16.753  1.000 26.787 0 139 LYS A CE  1 ? 
ATOM   1024 N  NZ  . LYS A 1 139 ? 6.100   -7.373  17.120  1.000 26.861 0 139 LYS A NZ  1 ? 
ATOM   1025 N  N   . ALA A 1 140 ? 3.552   -0.571  19.861  1.000 11.258 0 140 ALA A N   1 ? 
ATOM   1026 C  CA  . ALA A 1 140 ? 3.069   0.241   20.951  1.000 10.909 0 140 ALA A CA  1 ? 
ATOM   1027 C  C   . ALA A 1 140 ? 1.743   -0.306  21.450  1.000 10.766 0 140 ALA A C   1 ? 
ATOM   1028 O  O   . ALA A 1 140 ? 0.918   -0.739  20.663  1.000 12.434 0 140 ALA A O   1 ? 
ATOM   1029 C  CB  . ALA A 1 140 ? 2.909   1.683   20.538  1.000 11.681 0 140 ALA A CB  1 ? 
ATOM   1030 N  N   . PRO A 1 141 ? 1.536   -0.299  22.777  1.000 12.012 0 141 PRO A N   1 ? 
ATOM   1031 C  CA  . PRO A 1 141 ? 0.264   -0.753  23.328  1.000 11.394 0 141 PRO A CA  1 ? 
ATOM   1032 C  C   . PRO A 1 141 ? -0.821  0.309   23.376  1.000 11.287 0 141 PRO A C   1 ? 
ATOM   1033 O  O   . PRO A 1 141 ? -0.553  1.495   23.569  1.000 10.637 0 141 PRO A O   1 ? 
ATOM   1034 C  CB  . PRO A 1 141 ? 0.725   -1.204  24.717  1.000 12.298 0 141 PRO A CB  1 ? 
ATOM   1035 C  CG  . PRO A 1 141 ? 1.840   -0.287  25.087  1.000 12.594 0 141 PRO A CG  1 ? 
ATOM   1036 C  CD  . PRO A 1 141 ? 2.561   0.004   23.804  1.000 11.879 0 141 PRO A CD  1 ? 
ATOM   1037 N  N   . ILE A 1 142 ? -2.069  -0.144  23.307  1.000 11.707 0 142 ILE A N   1 ? 
ATOM   1038 C  CA  . ILE A 1 142 ? -3.183  0.737   23.584  1.000 12.888 0 142 ILE A CA  1 ? 
ATOM   1039 C  C   . ILE A 1 142 ? -3.205  1.000   25.091  1.000 13.950 0 142 ILE A C   1 ? 
ATOM   1040 O  O   . ILE A 1 142 ? -3.052  0.075   25.888  1.000 12.169 0 142 ILE A O   1 ? 
ATOM   1041 C  CB  . ILE A 1 142 ? -4.484  0.131   23.036  1.000 15.153 0 142 ILE A CB  1 ? 
ATOM   1042 C  CG1 . ILE A 1 142 ? -4.461  0.060   21.501  1.000 17.343 0 142 ILE A CG1 1 ? 
ATOM   1043 C  CG2 . ILE A 1 142 ? -5.734  0.870   23.517  1.000 14.854 0 142 ILE A CG2 1 ? 
ATOM   1044 C  CD1 . ILE A 1 142 ? -5.564  -0.796  20.913  1.000 18.006 0 142 ILE A CD1 1 ? 
ATOM   1045 N  N   . LEU A 1 143 ? -3.363  2.271   25.459  1.000 13.189 0 143 LEU A N   1 ? 
ATOM   1046 C  CA  . LEU A 1 143 ? -3.461  2.665   26.860  1.000 14.973 0 143 LEU A CA  1 ? 
ATOM   1047 C  C   . LEU A 1 143 ? -4.919  2.718   27.308  1.000 15.324 0 143 LEU A C   1 ? 
ATOM   1048 O  O   . LEU A 1 143 ? -5.840  2.882   26.501  1.000 15.488 0 143 LEU A O   1 ? 
ATOM   1049 C  CB  . LEU A 1 143 ? -2.762  4.015   27.000  1.000 16.222 0 143 LEU A CB  1 ? 
ATOM   1050 C  CG  . LEU A 1 143 ? -1.268  4.010   26.665  1.000 17.896 0 143 LEU A CG  1 ? 
ATOM   1051 C  CD1 . LEU A 1 143 ? -0.651  5.384   26.694  1.000 18.881 0 143 LEU A CD1 1 ? 
ATOM   1052 C  CD2 . LEU A 1 143 ? -0.514  3.116   27.608  1.000 20.238 0 143 LEU A CD2 1 ? 
ATOM   1053 N  N   . SER A 1 144 ? -5.135  2.587   28.627  1.000 16.189 0 144 SER A N   1 ? 
ATOM   1054 C  CA  . SER A 1 144 ? -6.492  2.640   29.138  1.000 16.962 0 144 SER A CA  1 ? 
ATOM   1055 C  C   . SER A 1 144 ? -7.040  4.032   28.855  1.000 15.879 0 144 SER A C   1 ? 
ATOM   1056 O  O   . SER A 1 144 ? -6.280  5.003   28.779  1.000 13.985 0 144 SER A O   1 ? 
ATOM   1057 C  CB  . SER A 1 144 ? -6.546  2.370   30.630  1.000 16.510 0 144 SER A CB  1 ? 
ATOM   1058 O  OG  . SER A 1 144 ? -5.886  3.405   31.347  1.000 17.153 0 144 SER A OG  1 ? 
ATOM   1059 N  N   . ASP A 1 145 ? -8.364  4.110   28.741  1.000 17.242 0 145 ASP A N   1 ? 
ATOM   1060 C  CA  . ASP A 1 145 ? -9.023  5.384   28.526  1.000 21.353 0 145 ASP A CA  1 ? 
ATOM   1061 C  C   . ASP A 1 145 ? -8.791  6.303   29.724  1.000 20.364 0 145 ASP A C   1 ? 
ATOM   1062 O  O   . ASP A 1 145 ? -8.606  7.498   29.555  1.000 17.774 0 145 ASP A O   1 ? 
ATOM   1063 C  CB  . ASP A 1 145 ? -10.489 5.188   28.187  1.000 25.518 0 145 ASP A CB  1 ? 
ATOM   1064 C  CG  . ASP A 1 145 ? -10.740 4.666   26.772  1.000 31.870 0 145 ASP A CG  1 ? 
ATOM   1065 O  OD1 . ASP A 1 145 ? -9.827  4.783   25.893  1.000 30.788 0 145 ASP A OD1 1 ? 
ATOM   1066 O  OD2 . ASP A 1 145 ? -11.857 4.157   26.539  1.000 32.841 0 145 ASP A OD2 1 ? 
ATOM   1067 N  N   . SER A 1 146 ? -8.756  5.763   30.937  1.000 18.857 0 146 SER A N   1 ? 
ATOM   1068 C  CA  . SER A 1 146 ? -8.536  6.634   32.084  1.000 19.949 0 146 SER A CA  1 ? 
ATOM   1069 C  C   . SER A 1 146 ? -7.139  7.258   32.034  1.000 17.917 0 146 SER A C   1 ? 
ATOM   1070 O  O   . SER A 1 146 ? -7.011  8.443   32.310  1.000 17.691 0 146 SER A O   1 ? 
ATOM   1071 C  CB  . SER A 1 146 ? -8.785  5.936   33.414  1.000 23.593 0 146 SER A CB  1 ? 
ATOM   1072 O  OG  . SER A 1 146 ? -7.874  4.867   33.587  1.000 30.495 0 146 SER A OG  1 ? 
ATOM   1073 N  N   . SER A 1 147 ? -6.094  6.506   31.657  1.000 17.235 0 147 SER A N   1 ? 
ATOM   1074 C  CA  . SER A 1 147 ? -4.764  7.095   31.522  1.000 17.621 0 147 SER A CA  1 ? 
ATOM   1075 C  C   . SER A 1 147 ? -4.698  8.128   30.383  1.000 14.997 0 147 SER A C   1 ? 
ATOM   1076 O  O   . SER A 1 147 ? -3.977  9.132   30.473  1.000 13.010 0 147 SER A O   1 ? 
ATOM   1077 C  CB  . SER A 1 147 ? -3.702  6.061   31.394  1.000 23.296 0 147 SER A CB  1 ? 
ATOM   1078 O  OG  . SER A 1 147 ? -3.937  5.235   30.268  1.000 33.708 0 147 SER A OG  1 ? 
ATOM   1079 N  N   . CYS A 1 148 ? -5.424  7.883   29.304  1.000 13.829 0 148 CYS A N   1 ? 
ATOM   1080 C  CA  . CYS A 1 148 ? -5.445  8.777   28.146  1.000 13.263 0 148 CYS A CA  1 ? 
ATOM   1081 C  C   . CYS A 1 148 ? -6.046  10.123  28.561  1.000 14.769 0 148 CYS A C   1 ? 
ATOM   1082 O  O   . CYS A 1 148 ? -5.520  11.198  28.246  1.000 14.701 0 148 CYS A O   1 ? 
ATOM   1083 C  CB  . CYS A 1 148 ? -6.227  8.082   27.040  1.000 12.794 0 148 CYS A CB  1 ? 
ATOM   1084 S  SG  . CYS A 1 148 ? -6.165  8.929   25.440  1.000 12.932 0 148 CYS A SG  1 ? 
ATOM   1085 N  N   . LYS A 1 149 ? -7.170  10.032  29.284  1.000 16.338 0 149 LYS A N   1 ? 
ATOM   1086 C  CA  . LYS A 1 149 ? -7.892  11.220  29.714  1.000 18.345 0 149 LYS A CA  1 ? 
ATOM   1087 C  C   . LYS A 1 149 ? -7.073  11.983  30.750  1.000 18.002 0 149 LYS A C   1 ? 
ATOM   1088 O  O   . LYS A 1 149 ? -7.115  13.200  30.774  1.000 16.484 0 149 LYS A O   1 ? 
ATOM   1089 C  CB  . LYS A 1 149 ? -9.316  10.885  30.168  1.000 18.664 0 149 LYS A CB  1 ? 
ATOM   1090 C  CG  . LYS A 1 149 ? -10.258 10.541  29.040  1.000 20.535 0 149 LYS A CG  1 ? 
ATOM   1091 C  CD  . LYS A 1 149 ? -11.582 9.901   29.452  1.000 25.485 0 149 LYS A CD  1 ? 
ATOM   1092 C  CE  . LYS A 1 149 ? -12.552 9.667   28.316  1.000 29.445 0 149 LYS A CE  1 ? 
ATOM   1093 N  NZ  . LYS A 1 149 ? -13.703 8.837   28.716  1.000 32.331 0 149 LYS A NZ  1 ? 
ATOM   1094 N  N   . SER A 1 150 ? -6.303  11.269  31.584  1.000 18.177 0 150 SER A N   1 ? 
ATOM   1095 C  CA  . SER A 1 150 ? -5.430  11.912  32.554  1.000 17.938 0 150 SER A CA  1 ? 
ATOM   1096 C  C   . SER A 1 150 ? -4.297  12.680  31.887  1.000 17.088 0 150 SER A C   1 ? 
ATOM   1097 O  O   . SER A 1 150 ? -3.899  13.740  32.374  1.000 15.836 0 150 SER A O   1 ? 
ATOM   1098 C  CB  . SER A 1 150 ? -4.901  10.930  33.561  1.000 19.676 0 150 SER A CB  1 ? 
ATOM   1099 O  OG  . SER A 1 150 ? -5.971  10.583  34.426  1.000 23.933 0 150 SER A OG  1 ? 
ATOM   1100 N  N   . ALA A 1 151 ? -3.789  12.152  30.770  1.000 15.073 0 151 ALA A N   1 ? 
ATOM   1101 C  CA  . ALA A 1 151 ? -2.702  12.770  30.030  1.000 13.992 0 151 ALA A CA  1 ? 
ATOM   1102 C  C   . ALA A 1 151 ? -3.153  14.040  29.304  1.000 13.372 0 151 ALA A C   1 ? 
ATOM   1103 O  O   . ALA A 1 151 ? -2.383  15.010  29.184  1.000 14.087 0 151 ALA A O   1 ? 
ATOM   1104 C  CB  . ALA A 1 151 ? -2.114  11.779  29.049  1.000 13.634 0 151 ALA A CB  1 ? 
ATOM   1105 N  N   . TYR A 1 152 ? -4.411  14.041  28.849  1.000 12.524 0 152 TYR A N   1 ? 
ATOM   1106 C  CA  . TYR A 1 152 ? -4.945  15.118  28.034  1.000 13.130 0 152 TYR A CA  1 ? 
ATOM   1107 C  C   . TYR A 1 152 ? -6.323  15.496  28.550  1.000 13.615 0 152 TYR A C   1 ? 
ATOM   1108 O  O   . TYR A 1 152 ? -7.342  15.284  27.896  1.000 11.835 0 152 TYR A O   1 ? 
ATOM   1109 C  CB  . TYR A 1 152 ? -5.029  14.635  26.596  1.000 12.170 0 152 TYR A CB  1 ? 
ATOM   1110 C  CG  . TYR A 1 152 ? -3.699  14.355  25.932  1.000 12.397 0 152 TYR A CG  1 ? 
ATOM   1111 C  CD1 . TYR A 1 152 ? -2.873  15.400  25.533  1.000 13.774 0 152 TYR A CD1 1 ? 
ATOM   1112 C  CD2 . TYR A 1 152 ? -3.287  13.057  25.661  1.000 12.285 0 152 TYR A CD2 1 ? 
ATOM   1113 C  CE1 . TYR A 1 152 ? -1.696  15.156  24.848  1.000 13.480 0 152 TYR A CE1 1 ? 
ATOM   1114 C  CE2 . TYR A 1 152 ? -2.112  12.807  24.980  1.000 11.998 0 152 TYR A CE2 1 ? 
ATOM   1115 C  CZ  . TYR A 1 152 ? -1.313  13.855  24.578  1.000 12.907 0 152 TYR A CZ  1 ? 
ATOM   1116 O  OH  . TYR A 1 152 ? -0.128  13.677  23.929  1.000 14.414 0 152 TYR A OH  1 ? 
ATOM   1117 N  N   . PRO A 1 153 ? -6.401  16.084  29.761  1.000 14.602 0 153 PRO A N   1 ? 
ATOM   1118 C  CA  . PRO A 1 153 ? -7.704  16.347  30.349  1.000 15.748 0 153 PRO A CA  1 ? 
ATOM   1119 C  C   . PRO A 1 153 ? -8.500  17.362  29.536  1.000 13.935 0 153 PRO A C   1 ? 
ATOM   1120 O  O   . PRO A 1 153 ? -7.975  18.357  29.046  1.000 14.587 0 153 PRO A O   1 ? 
ATOM   1121 C  CB  . PRO A 1 153 ? -7.388  16.794  31.809  1.000 18.257 0 153 PRO A CB  1 ? 
ATOM   1122 C  CG  . PRO A 1 153 ? -5.943  17.190  31.778  1.000 18.746 0 153 PRO A CG  1 ? 
ATOM   1123 C  CD  . PRO A 1 153 ? -5.261  16.450  30.618  1.000 16.662 0 153 PRO A CD  1 ? 
ATOM   1124 N  N   . GLY A 1 154 ? -9.768  17.036  29.337  1.000 14.317 0 154 GLY A N   1 ? 
ATOM   1125 C  CA  . GLY A 1 154 ? -10.697 17.892  28.635  1.000 14.429 0 154 GLY A CA  1 ? 
ATOM   1126 C  C   . GLY A 1 154 ? -10.522 17.813  27.128  1.000 15.634 0 154 GLY A C   1 ? 
ATOM   1127 O  O   . GLY A 1 154 ? -11.095 18.652  26.422  1.000 16.064 0 154 GLY A O   1 ? 
ATOM   1128 N  N   . GLN A 1 155 ? -9.703  16.864  26.635  1.000 14.555 0 155 GLN A N   1 ? 
ATOM   1129 C  CA  . GLN A 1 155 ? -9.353  16.870  25.217  1.000 14.897 0 155 GLN A CA  1 ? 
ATOM   1130 C  C   . GLN A 1 155 ? -9.705  15.563  24.497  1.000 15.430 0 155 GLN A C   1 ? 
ATOM   1131 O  O   . GLN A 1 155 ? -9.584  15.531  23.282  1.000 16.034 0 155 GLN A O   1 ? 
ATOM   1132 C  CB  . GLN A 1 155 ? -7.878  17.214  25.000  1.000 15.426 0 155 GLN A CB  1 ? 
ATOM   1133 C  CG  . GLN A 1 155 ? -7.485  18.578  25.579  1.000 16.686 0 155 GLN A CG  1 ? 
ATOM   1134 C  CD  . GLN A 1 155 ? -6.018  18.655  25.909  1.000 17.629 0 155 GLN A CD  1 ? 
ATOM   1135 O  OE1 . GLN A 1 155 ? -5.159  18.539  25.041  1.000 17.974 0 155 GLN A OE1 1 ? 
ATOM   1136 N  NE2 . GLN A 1 155 ? -5.714  18.716  27.202  1.000 20.422 0 155 GLN A NE2 1 ? 
ATOM   1137 N  N   . ILE A 1 156 ? -10.010 14.477  25.217  1.000 13.508 0 156 ILE A N   1 ? 
ATOM   1138 C  CA  . ILE A 1 156 ? -10.179 13.178  24.590  1.000 13.891 0 156 ILE A CA  1 ? 
ATOM   1139 C  C   . ILE A 1 156 ? -11.664 12.867  24.439  1.000 14.577 0 156 ILE A C   1 ? 
ATOM   1140 O  O   . ILE A 1 156 ? -12.436 12.975  25.395  1.000 15.210 0 156 ILE A O   1 ? 
ATOM   1141 C  CB  . ILE A 1 156 ? -9.475  12.066  25.374  1.000 14.036 0 156 ILE A CB  1 ? 
ATOM   1142 C  CG1 . ILE A 1 156 ? -7.994  12.364  25.592  1.000 14.246 0 156 ILE A CG1 1 ? 
ATOM   1143 C  CG2 . ILE A 1 156 ? -9.703  10.713  24.719  1.000 15.575 0 156 ILE A CG2 1 ? 
ATOM   1144 C  CD1 . ILE A 1 156 ? -7.159  12.419  24.327  1.000 13.888 0 156 ILE A CD1 1 ? 
ATOM   1145 N  N   . THR A 1 157 ? -12.058 12.489  23.218  1.000 12.818 0 157 THR A N   1 ? 
ATOM   1146 C  CA  . THR A 1 157 ? -13.428 12.105  22.922  1.000 12.853 0 157 THR A CA  1 ? 
ATOM   1147 C  C   . THR A 1 157 ? -13.502 10.590  22.801  1.000 12.715 0 157 THR A C   1 ? 
ATOM   1148 O  O   . THR A 1 157 ? -12.490 9.899   22.720  1.000 12.655 0 157 THR A O   1 ? 
ATOM   1149 C  CB  . THR A 1 157 ? -13.909 12.780  21.635  1.000 13.544 0 157 THR A CB  1 ? 
ATOM   1150 O  OG1 . THR A 1 157 ? -13.320 12.091  20.521  1.000 12.696 0 157 THR A OG1 1 ? 
ATOM   1151 C  CG2 . THR A 1 157 ? -13.663 14.280  21.595  1.000 13.065 0 157 THR A CG2 1 ? 
ATOM   1152 N  N   . SER A 1 158 ? -14.716 10.050  22.712  1.000 14.491 0 158 SER A N   1 ? 
ATOM   1153 C  CA  . SER A 1 158 ? -14.867 8.616   22.537  1.000 16.108 0 158 SER A CA  1 ? 
ATOM   1154 C  C   . SER A 1 158 ? -14.445 8.154   21.148  1.000 12.774 0 158 SER A C   1 ? 
ATOM   1155 O  O   . SER A 1 158 ? -14.477 6.945   20.916  1.000 15.327 0 158 SER A O   1 ? 
ATOM   1156 C  CB  . SER A 1 158 ? -16.282 8.194   22.805  1.000 19.408 0 158 SER A CB  1 ? 
ATOM   1157 O  OG  . SER A 1 158 ? -17.135 9.154   22.223  1.000 25.647 0 158 SER A OG  1 ? 
ATOM   1158 N  N   . ASN A 1 159 ? -14.053 9.086   20.268  1.000 12.088 0 159 ASN A N   1 ? 
ATOM   1159 C  CA  . ASN A 1 159 ? -13.539 8.733   18.935  1.000 10.889 0 159 ASN A CA  1 ? 
ATOM   1160 C  C   . ASN A 1 159 ? -12.011 8.747   18.855  1.000 10.705 0 159 ASN A C   1 ? 
ATOM   1161 O  O   . ASN A 1 159 ? -11.455 8.754   17.748  1.000 10.251 0 159 ASN A O   1 ? 
ATOM   1162 C  CB  . ASN A 1 159 ? -14.064 9.699   17.884  1.000 10.585 0 159 ASN A CB  1 ? 
ATOM   1163 C  CG  . ASN A 1 159 ? -15.569 9.657   17.831  1.000 11.387 0 159 ASN A CG  1 ? 
ATOM   1164 O  OD1 . ASN A 1 159 ? -16.166 8.575   17.742  1.000 13.761 0 159 ASN A OD1 1 ? 
ATOM   1165 N  ND2 . ASN A 1 159 ? -16.180 10.822  17.891  1.000 11.907 0 159 ASN A ND2 1 ? 
ATOM   1166 N  N   . MET A 1 160 ? -11.377 8.753   20.028  1.000 11.017 0 160 MET A N   1 ? 
ATOM   1167 C  CA  . MET A 1 160 ? -9.927  8.803   20.145  1.000 11.547 0 160 MET A CA  1 ? 
ATOM   1168 C  C   . MET A 1 160 ? -9.471  7.757   21.152  1.000 12.099 0 160 MET A C   1 ? 
ATOM   1169 O  O   . MET A 1 160 ? -10.204 7.436   22.093  1.000 11.624 0 160 MET A O   1 ? 
ATOM   1170 C  CB  . MET A 1 160 ? -9.462  10.154  20.685  1.000 11.158 0 160 MET A CB  1 ? 
ATOM   1171 C  CG  . MET A 1 160 ? -9.836  11.333  19.819  1.000 10.800 0 160 MET A CG  1 ? 
ATOM   1172 S  SD  . MET A 1 160 ? -9.479  12.878  20.682  1.000 10.642 0 160 MET A SD  1 ? 
ATOM   1173 C  CE  . MET A 1 160 ? -10.367 13.926  19.524  1.000 11.432 0 160 MET A CE  1 ? 
ATOM   1174 N  N   . PHE A 1 161 ? -8.232  7.271   20.974  1.000 11.030 0 161 PHE A N   1 ? 
ATOM   1175 C  CA  . PHE A 1 161 ? -7.599  6.450   21.988  1.000 10.040 0 161 PHE A CA  1 ? 
ATOM   1176 C  C   . PHE A 1 161 ? -6.123  6.795   21.972  1.000 10.265 0 161 PHE A C   1 ? 
ATOM   1177 O  O   . PHE A 1 161 ? -5.597  7.383   21.007  1.000 10.918 0 161 PHE A O   1 ? 
ATOM   1178 C  CB  . PHE A 1 161 ? -7.789  4.938   21.794  1.000 10.888 0 161 PHE A CB  1 ? 
ATOM   1179 C  CG  . PHE A 1 161 ? -7.136  4.338   20.556  1.000 10.478 0 161 PHE A CG  1 ? 
ATOM   1180 C  CD1 . PHE A 1 161 ? -5.868  3.825   20.599  1.000 10.695 0 161 PHE A CD1 1 ? 
ATOM   1181 C  CD2 . PHE A 1 161 ? -7.818  4.276   19.339  1.000 10.947 0 161 PHE A CD2 1 ? 
ATOM   1182 C  CE1 . PHE A 1 161 ? -5.290  3.223   19.473  1.000 11.591 0 161 PHE A CE1 1 ? 
ATOM   1183 C  CE2 . PHE A 1 161 ? -7.232  3.686   18.224  1.000 11.263 0 161 PHE A CE2 1 ? 
ATOM   1184 C  CZ  . PHE A 1 161 ? -5.967  3.173   18.287  1.000 11.413 0 161 PHE A CZ  1 ? 
ATOM   1185 N  N   . CYS A 1 162 ? -5.486  6.494   23.095  1.000 9.993  0 162 CYS A N   1 ? 
ATOM   1186 C  CA  . CYS A 1 162 ? -4.065  6.724   23.269  1.000 9.820  0 162 CYS A CA  1 ? 
ATOM   1187 C  C   . CYS A 1 162 ? -3.303  5.421   23.109  1.000 10.161 0 162 CYS A C   1 ? 
ATOM   1188 O  O   . CYS A 1 162 ? -3.808  4.372   23.489  1.000 10.325 0 162 CYS A O   1 ? 
ATOM   1189 C  CB  . CYS A 1 162 ? -3.753  7.292   24.650  1.000 9.778  0 162 CYS A CB  1 ? 
ATOM   1190 S  SG  . CYS A 1 162 ? -4.200  9.019   24.933  1.000 10.589 0 162 CYS A SG  1 ? 
ATOM   1191 N  N   . ALA A 1 163 ? -2.076  5.479   22.560  1.000 10.602 0 163 ALA A N   1 ? 
ATOM   1192 C  CA  . ALA A 1 163 ? -1.207  4.318   22.477  1.000 11.268 0 163 ALA A CA  1 ? 
ATOM   1193 C  C   . ALA A 1 163 ? 0.207   4.822   22.634  1.000 11.782 0 163 ALA A C   1 ? 
ATOM   1194 O  O   . ALA A 1 163 ? 0.518   5.936   22.193  1.000 11.815 0 163 ALA A O   1 ? 
ATOM   1195 C  CB  . ALA A 1 163 ? -1.368  3.548   21.155  1.000 11.396 0 163 ALA A CB  1 ? 
ATOM   1196 N  N   . GLY A 1 164 ? 1.061   4.004   23.247  1.000 11.223 0 164 GLY A N   1 ? 
ATOM   1197 C  CA  . GLY A 1 164 ? 2.438   4.406   23.431  1.000 11.966 0 164 GLY A CA  1 ? 
ATOM   1198 C  C   . GLY A 1 164 ? 2.932   4.132   24.849  1.000 14.290 0 164 GLY A C   1 ? 
ATOM   1199 O  O   . GLY A 1 164 ? 2.527   3.139   25.463  1.000 14.188 0 164 GLY A O   1 ? 
ATOM   1200 N  N   . TYR A 1 165 ? 3.752   5.056   25.337  1.000 15.656 0 165 TYR A N   1 ? 
ATOM   1201 C  CA  . TYR A 1 165 ? 4.614   4.881   26.499  1.000 17.636 0 165 TYR A CA  1 ? 
ATOM   1202 C  C   . TYR A 1 165 ? 4.607   6.192   27.282  1.000 19.182 0 165 TYR A C   1 ? 
ATOM   1203 O  O   . TYR A 1 165 ? 5.051   7.233   26.787  1.000 21.240 0 165 TYR A O   1 ? 
ATOM   1204 C  CB  . TYR A 1 165 ? 6.023   4.462   26.048  1.000 18.004 0 165 TYR A CB  1 ? 
ATOM   1205 C  CG  . TYR A 1 165 ? 6.059   3.153   25.262  1.000 16.540 0 165 TYR A CG  1 ? 
ATOM   1206 C  CD1 . TYR A 1 165 ? 6.115   1.930   25.905  1.000 17.426 0 165 TYR A CD1 1 ? 
ATOM   1207 C  CD2 . TYR A 1 165 ? 5.961   3.140   23.887  1.000 17.344 0 165 TYR A CD2 1 ? 
ATOM   1208 C  CE1 . TYR A 1 165 ? 6.116   0.730   25.220  1.000 17.391 0 165 TYR A CE1 1 ? 
ATOM   1209 C  CE2 . TYR A 1 165 ? 5.971   1.951   23.182  1.000 16.616 0 165 TYR A CE2 1 ? 
ATOM   1210 C  CZ  . TYR A 1 165 ? 6.037   0.741   23.849  1.000 16.812 0 165 TYR A CZ  1 ? 
ATOM   1211 O  OH  . TYR A 1 165 ? 6.071   -0.406  23.129  1.000 19.633 0 165 TYR A OH  1 ? 
ATOM   1212 N  N   . LEU A 1 166 ? 4.107   6.130   28.516  1.000 17.473 0 166 LEU A N   1 ? 
ATOM   1213 C  CA  . LEU A 1 166 ? 4.049   7.306   29.365  1.000 19.289 0 166 LEU A CA  1 ? 
ATOM   1214 C  C   . LEU A 1 166 ? 5.451   7.767   29.737  1.000 19.536 0 166 LEU A C   1 ? 
ATOM   1215 O  O   . LEU A 1 166 ? 5.639   8.940   30.011  1.000 18.673 0 166 LEU A O   1 ? 
ATOM   1216 C  CB  . LEU A 1 166 ? 3.202   7.004   30.601  1.000 21.417 0 166 LEU A CB  1 ? 
ATOM   1217 C  CG  . LEU A 1 166 ? 1.721   6.762   30.318  1.000 24.621 0 166 LEU A CG  1 ? 
ATOM   1218 C  CD1 . LEU A 1 166 ? 1.006   6.456   31.637  1.000 26.308 0 166 LEU A CD1 1 ? 
ATOM   1219 C  CD2 . LEU A 1 166 ? 1.081   7.940   29.601  1.000 24.209 0 166 LEU A CD2 1 ? 
ATOM   1220 N  N   . GLU A 1 167 ? 6.434   6.863   29.746  1.000 19.115 0 167 GLU A N   1 ? 
ATOM   1221 C  CA  . GLU A 1 167 ? 7.793   7.278   30.075  1.000 21.340 0 167 GLU A CA  1 ? 
ATOM   1222 C  C   . GLU A 1 167 ? 8.425   8.073   28.922  1.000 22.828 0 167 GLU A C   1 ? 
ATOM   1223 O  O   . GLU A 1 167 ? 9.452   8.708   29.105  1.000 27.070 0 167 GLU A O   1 ? 
ATOM   1224 C  CB  . GLU A 1 167 ? 8.682   6.090   30.445  1.000 24.488 0 167 GLU A CB  1 ? 
ATOM   1225 C  CG  . GLU A 1 167 ? 8.683   4.991   29.388  1.000 28.482 0 167 GLU A CG  1 ? 
ATOM   1226 C  CD  . GLU A 1 167 ? 7.616   3.896   29.424  1.000 29.928 0 167 GLU A CD  1 ? 
ATOM   1227 O  OE1 . GLU A 1 167 ? 8.067   2.748   29.173  1.000 38.532 0 167 GLU A OE1 1 ? 
ATOM   1228 O  OE2 . GLU A 1 167 ? 6.381   4.100   29.626  1.000 26.616 0 167 GLU A OE2 1 ? 
ATOM   1229 N  N   . GLY A 1 168 ? 7.823   8.039   27.730  1.000 22.985 0 168 GLY A N   1 ? 
ATOM   1230 C  CA  . GLY A 1 168 ? 8.383   8.730   26.580  1.000 21.179 0 168 GLY A CA  1 ? 
ATOM   1231 C  C   . GLY A 1 168 ? 9.451   7.904   25.864  1.000 22.252 0 168 GLY A C   1 ? 
ATOM   1232 O  O   . GLY A 1 168 ? 9.728   6.764   26.217  1.000 25.850 0 168 GLY A O   1 ? 
ATOM   1233 N  N   . GLY A 1 169 ? 10.001  8.486   24.795  1.000 17.512 0 169 GLY A N   1 ? 
ATOM   1234 C  CA  . GLY A 1 169 ? 11.070  7.889   24.023  1.000 18.423 0 169 GLY A CA  1 ? 
ATOM   1235 C  C   . GLY A 1 169 ? 10.582  7.174   22.762  1.000 15.360 0 169 GLY A C   1 ? 
ATOM   1236 O  O   . GLY A 1 169 ? 11.378  6.949   21.877  1.000 14.465 0 169 GLY A O   1 ? 
ATOM   1237 N  N   . LYS A 1 170 ? 9.314   6.768   22.710  1.000 15.131 0 170 LYS A N   1 ? 
ATOM   1238 C  CA  . LYS A 1 170 ? 8.801   5.999   21.592  1.000 13.259 0 170 LYS A CA  1 ? 
ATOM   1239 C  C   . LYS A 1 170 ? 7.414   6.510   21.238  1.000 11.822 0 170 LYS A C   1 ? 
ATOM   1240 O  O   . LYS A 1 170 ? 6.546   6.530   22.075  1.000 13.367 0 170 LYS A O   1 ? 
ATOM   1241 C  CB  . LYS A 1 170 ? 8.669   4.521   21.963  1.000 14.880 0 170 LYS A CB  1 ? 
ATOM   1242 C  CG  . LYS A 1 170 ? 9.991   3.798   22.095  1.000 17.311 0 170 LYS A CG  1 ? 
ATOM   1243 C  CD  . LYS A 1 170 ? 9.747   2.340   22.483  1.000 21.407 0 170 LYS A CD  1 ? 
ATOM   1244 C  CE  . LYS A 1 170 ? 9.687   2.191   23.964  1.000 25.442 0 170 LYS A CE  1 ? 
ATOM   1245 N  NZ  . LYS A 1 170 ? 11.007  1.794   24.489  1.000 28.891 0 170 LYS A NZ  1 ? 
ATOM   1246 N  N   . ASP A 1 171 ? 7.222   6.950   19.986  1.000 9.953  0 171 ASP A N   1 ? 
ATOM   1247 C  CA  . ASP A 1 171 ? 5.953   7.545   19.604  1.000 9.879  0 171 ASP A CA  1 ? 
ATOM   1248 C  C   . ASP A 1 171 ? 5.910   7.710   18.088  1.000 9.980  0 171 ASP A C   1 ? 
ATOM   1249 O  O   . ASP A 1 171 ? 6.933   7.592   17.429  1.000 10.918 0 171 ASP A O   1 ? 
ATOM   1250 C  CB  . ASP A 1 171 ? 5.811   8.914   20.257  1.000 9.348  0 171 ASP A CB  1 ? 
ATOM   1251 C  CG  . ASP A 1 171 ? 4.435   9.557   20.297  1.000 9.085  0 171 ASP A CG  1 ? 
ATOM   1252 O  OD1 . ASP A 1 171 ? 3.464   8.900   19.891  1.000 8.732  0 171 ASP A OD1 1 ? 
ATOM   1253 O  OD2 . ASP A 1 171 ? 4.354   10.720  20.760  1.000 10.123 0 171 ASP A OD2 1 ? 
ATOM   1254 N  N   . SER A 1 172 ? 4.723   8.000   17.547  1.000 8.459  0 172 SER A N   1 ? 
ATOM   1255 C  CA  . SER A 1 172 ? 4.623   8.545   16.187  1.000 9.331  0 172 SER A CA  1 ? 
ATOM   1256 C  C   . SER A 1 172 ? 4.847   10.057  16.248  1.000 8.774  0 172 SER A C   1 ? 
ATOM   1257 O  O   . SER A 1 172 ? 4.999   10.638  17.338  1.000 9.139  0 172 SER A O   1 ? 
ATOM   1258 C  CB  . SER A 1 172 ? 3.302   8.155   15.553  1.000 8.456  0 172 SER A CB  1 ? 
ATOM   1259 O  OG  . SER A 1 172 ? 2.229   8.667   16.315  1.000 9.818  0 172 SER A OG  1 ? 
ATOM   1260 N  N   . CYS A 1 173 ? 4.951   10.726  15.087  1.000 9.766  0 173 CYS A N   1 ? 
ATOM   1261 C  CA  . CYS A 1 173 ? 5.347   12.128  15.029  1.000 9.986  0 173 CYS A CA  1 ? 
ATOM   1262 C  C   . CYS A 1 173 ? 4.835   12.758  13.733  1.000 10.054 0 173 CYS A C   1 ? 
ATOM   1263 O  O   . CYS A 1 173 ? 4.214   12.074  12.900  1.000 9.934  0 173 CYS A O   1 ? 
ATOM   1264 C  CB  . CYS A 1 173 ? 6.864   12.211  15.194  1.000 10.799 0 173 CYS A CB  1 ? 
ATOM   1265 S  SG  . CYS A 1 173 ? 7.434   13.837  15.767  1.000 13.597 0 173 CYS A SG  1 ? 
ATOM   1266 N  N   . GLN A 1 174 ? 5.051   14.070  13.586  1.000 10.737 0 174 GLN A N   1 ? 
ATOM   1267 C  CA  . GLN A 1 174 ? 4.715   14.794  12.365  1.000 12.304 0 174 GLN A CA  1 ? 
ATOM   1268 C  C   . GLN A 1 174 ? 5.241   14.035  11.158  1.000 9.981  0 174 GLN A C   1 ? 
ATOM   1269 O  O   . GLN A 1 174 ? 6.398   13.628  11.137  1.000 9.886  0 174 GLN A O   1 ? 
ATOM   1270 C  CB  . GLN A 1 174 ? 5.195   16.246  12.400  1.000 15.190 0 174 GLN A CB  1 ? 
ATOM   1271 C  CG  . GLN A 1 174 ? 4.226   17.177  13.135  1.000 21.196 0 174 GLN A CG  1 ? 
ATOM   1272 C  CD  . GLN A 1 174 ? 4.247   17.170  14.653  1.000 23.404 0 174 GLN A CD  1 ? 
ATOM   1273 O  OE1 . GLN A 1 174 ? 3.283   17.623  15.294  1.000 31.374 0 174 GLN A OE1 1 ? 
ATOM   1274 N  NE2 . GLN A 1 174 ? 5.333   16.719  15.252  1.000 19.677 0 174 GLN A NE2 1 ? 
ATOM   1275 N  N   . GLY A 1 175 ? 4.391   13.946  10.138  1.000 8.577  0 175 GLY A N   1 ? 
ATOM   1276 C  CA  . GLY A 1 175 ? 4.707   13.196  8.924   1.000 8.613  0 175 GLY A CA  1 ? 
ATOM   1277 C  C   . GLY A 1 175 ? 4.175   11.768  8.952   1.000 8.294  0 175 GLY A C   1 ? 
ATOM   1278 O  O   . GLY A 1 175 ? 4.078   11.119  7.903   1.000 8.871  0 175 GLY A O   1 ? 
ATOM   1279 N  N   . ASP A 1 176 ? 3.944   11.201  10.161  1.000 8.349  0 176 ASP A N   1 ? 
ATOM   1280 C  CA  . ASP A 1 176 ? 3.293   9.895   10.281  1.000 6.991  0 176 ASP A CA  1 ? 
ATOM   1281 C  C   . ASP A 1 176 ? 1.764   9.997   10.202  1.000 7.047  0 176 ASP A C   1 ? 
ATOM   1282 O  O   . ASP A 1 176 ? 1.064   8.982   10.047  1.000 7.088  0 176 ASP A O   1 ? 
ATOM   1283 C  CB  . ASP A 1 176 ? 3.656   9.232   11.607  1.000 7.383  0 176 ASP A CB  1 ? 
ATOM   1284 C  CG  . ASP A 1 176 ? 5.130   8.872   11.749  1.000 8.059  0 176 ASP A CG  1 ? 
ATOM   1285 O  OD1 . ASP A 1 176 ? 5.721   8.400   10.727  1.000 8.541  0 176 ASP A OD1 1 ? 
ATOM   1286 O  OD2 . ASP A 1 176 ? 5.662   9.098   12.868  1.000 8.789  0 176 ASP A OD2 1 ? 
ATOM   1287 N  N   . SER A 1 177 ? 1.260   11.228  10.408  1.000 6.855  0 177 SER A N   1 ? 
ATOM   1288 C  CA  . SER A 1 177 ? -0.160  11.559  10.372  1.000 7.331  0 177 SER A CA  1 ? 
ATOM   1289 C  C   . SER A 1 177 ? -0.870  10.865  9.225   1.000 6.832  0 177 SER A C   1 ? 
ATOM   1290 O  O   . SER A 1 177 ? -0.349  10.845  8.106   1.000 6.347  0 177 SER A O   1 ? 
ATOM   1291 C  CB  . SER A 1 177 ? -0.316  13.054  10.237  1.000 8.486  0 177 SER A CB  1 ? 
ATOM   1292 O  OG  . SER A 1 177 ? 0.142   13.685  11.416  1.000 11.024 0 177 SER A OG  1 ? 
ATOM   1293 N  N   . GLY A 1 178 ? -2.060  10.358  9.517   1.000 6.731  0 178 GLY A N   1 ? 
ATOM   1294 C  CA  . GLY A 1 178 ? -2.838  9.655   8.527   1.000 7.175  0 178 GLY A CA  1 ? 
ATOM   1295 C  C   . GLY A 1 178 ? -2.516  8.170   8.417   1.000 7.589  0 178 GLY A C   1 ? 
ATOM   1296 O  O   . GLY A 1 178 ? -3.315  7.437   7.834   1.000 7.190  0 178 GLY A O   1 ? 
ATOM   1297 N  N   . GLY A 1 179 ? -1.368  7.753   8.952   1.000 7.056  0 179 GLY A N   1 ? 
ATOM   1298 C  CA  . GLY A 1 179 ? -0.914  6.374   8.814   1.000 8.276  0 179 GLY A CA  1 ? 
ATOM   1299 C  C   . GLY A 1 179 ? -1.580  5.398   9.775   1.000 8.393  0 179 GLY A C   1 ? 
ATOM   1300 O  O   . GLY A 1 179 ? -2.374  5.747   10.655  1.000 9.278  0 179 GLY A O   1 ? 
ATOM   1301 N  N   . PRO A 1 180 ? -1.276  4.107   9.576   1.000 7.899  0 180 PRO A N   1 ? 
ATOM   1302 C  CA  . PRO A 1 180 ? -1.957  3.035   10.298  1.000 8.270  0 180 PRO A CA  1 ? 
ATOM   1303 C  C   . PRO A 1 180 ? -1.516  2.734   11.711  1.000 8.843  0 180 PRO A C   1 ? 
ATOM   1304 O  O   . PRO A 1 180 ? -0.347  2.779   12.043  1.000 9.533  0 180 PRO A O   1 ? 
ATOM   1305 C  CB  . PRO A 1 180 ? -1.672  1.834   9.403   1.000 8.763  0 180 PRO A CB  1 ? 
ATOM   1306 C  CG  . PRO A 1 180 ? -0.261  2.134   8.898   1.000 8.893  0 180 PRO A CG  1 ? 
ATOM   1307 C  CD  . PRO A 1 180 ? -0.323  3.616   8.583   1.000 8.677  0 180 PRO A CD  1 ? 
ATOM   1308 N  N   . VAL A 1 181 ? -2.506  2.299   12.487  1.000 9.082  0 181 VAL A N   1 ? 
ATOM   1309 C  CA  . VAL A 1 181 ? -2.262  1.592   13.735  1.000 9.574  0 181 VAL A CA  1 ? 
ATOM   1310 C  C   . VAL A 1 181 ? -2.978  0.242   13.599  1.000 9.556  0 181 VAL A C   1 ? 
ATOM   1311 O  O   . VAL A 1 181 ? -4.209  0.236   13.543  1.000 9.522  0 181 VAL A O   1 ? 
ATOM   1312 C  CB  . VAL A 1 181 ? -2.769  2.370   14.958  1.000 10.234 0 181 VAL A CB  1 ? 
ATOM   1313 C  CG1 . VAL A 1 181 ? -2.548  1.608   16.259  1.000 11.445 0 181 VAL A CG1 1 ? 
ATOM   1314 C  CG2 . VAL A 1 181 ? -2.211  3.776   15.063  1.000 12.095 0 181 VAL A CG2 1 ? 
ATOM   1315 N  N   . VAL A 1 182 ? -2.229  -0.843  13.429  1.000 8.841  0 182 VAL A N   1 ? 
ATOM   1316 C  CA  . VAL A 1 182 ? -2.816  -2.148  13.153  1.000 9.007  0 182 VAL A CA  1 ? 
ATOM   1317 C  C   . VAL A 1 182 ? -2.654  -3.062  14.380  1.000 9.221  0 182 VAL A C   1 ? 
ATOM   1318 O  O   . VAL A 1 182 ? -1.553  -3.208  14.900  1.000 9.958  0 182 VAL A O   1 ? 
ATOM   1319 C  CB  . VAL A 1 182 ? -2.208  -2.766  11.884  1.000 9.251  0 182 VAL A CB  1 ? 
ATOM   1320 C  CG1 . VAL A 1 182 ? -2.532  -4.243  11.781  1.000 9.528  0 182 VAL A CG1 1 ? 
ATOM   1321 C  CG2 . VAL A 1 182 ? -2.697  -2.079  10.619  1.000 9.624  0 182 VAL A CG2 1 ? 
ATOM   1322 N  N   . CYS A 1 183 ? -3.779  -3.638  14.841  1.000 10.255 0 183 CYS A N   1 ? 
ATOM   1323 C  CA  . CYS A 1 183 ? -3.818  -4.435  16.055  1.000 11.892 0 183 CYS A CA  1 ? 
ATOM   1324 C  C   . CYS A 1 183 ? -4.546  -5.722  15.710  1.000 13.010 0 183 CYS A C   1 ? 
ATOM   1325 O  O   . CYS A 1 183 ? -5.648  -5.678  15.166  1.000 12.524 0 183 CYS A O   1 ? 
ATOM   1326 C  CB  . CYS A 1 183 ? -4.550  -3.756  17.207  1.000 12.160 0 183 CYS A CB  1 ? 
ATOM   1327 S  SG  . CYS A 1 183 ? -4.148  -2.002  17.387  1.000 14.127 0 183 CYS A SG  1 ? 
ATOM   1328 N  N   . SER A 1 184 ? -3.883  -6.859  15.925  1.000 14.559 0 184 SER A N   1 ? 
ATOM   1329 C  CA  . SER A 1 184 ? -4.492  -8.142  15.623  1.000 17.442 0 184 SER A CA  1 ? 
ATOM   1330 C  C   . SER A 1 184 ? -5.033  -8.215  14.185  1.000 15.731 0 184 SER A C   1 ? 
ATOM   1331 O  O   . SER A 1 184 ? -6.133  -8.701  13.937  1.000 14.739 0 184 SER A O   1 ? 
ATOM   1332 C  CB  . SER A 1 184 ? -5.564  -8.399  16.686  1.000 19.763 0 184 SER A CB  1 ? 
ATOM   1333 O  OG  . SER A 1 184 ? -5.033  -8.137  17.989  1.000 25.232 0 184 SER A OG  1 ? 
ATOM   1334 N  N   . GLY A 1 185 ? -4.256  -7.728  13.211  1.000 15.289 0 185 GLY A N   1 ? 
ATOM   1335 C  CA  . GLY A 1 185 ? -4.592  -7.826  11.798  1.000 16.123 0 185 GLY A CA  1 ? 
ATOM   1336 C  C   . GLY A 1 185 ? -5.703  -6.887  11.331  1.000 14.257 0 185 GLY A C   1 ? 
ATOM   1337 O  O   . GLY A 1 185 ? -6.163  -7.035  10.212  1.000 15.732 0 185 GLY A O   1 ? 
ATOM   1338 N  N   . LYS A 1 186 ? -6.087  -5.902  12.152  1.000 13.292 0 186 LYS A N   1 ? 
ATOM   1339 C  CA  . LYS A 1 186 ? -7.156  -4.975  11.787  1.000 13.517 0 186 LYS A CA  1 ? 
ATOM   1340 C  C   . LYS A 1 186 ? -6.657  -3.541  11.925  1.000 11.473 0 186 LYS A C   1 ? 
ATOM   1341 O  O   . LYS A 1 186 ? -5.840  -3.222  12.794  1.000 11.532 0 186 LYS A O   1 ? 
ATOM   1342 C  CB  . LYS A 1 186 ? -8.415  -5.077  12.667  1.000 15.998 0 186 LYS A CB  1 ? 
ATOM   1343 C  CG  . LYS A 1 186 ? -9.036  -6.496  12.822  1.000 17.792 0 186 LYS A CG  1 ? 
ATOM   1344 C  CD  . LYS A 1 186 ? -9.440  -7.174  11.526  1.000 22.085 0 186 LYS A CD  1 ? 
ATOM   1345 C  CE  . LYS A 1 186 ? -9.960  -8.561  11.803  1.000 27.412 0 186 LYS A CE  1 ? 
ATOM   1346 N  NZ  . LYS A 1 186 ? -10.707 -9.029  10.633  1.000 31.501 0 186 LYS A NZ  1 ? 
ATOM   1347 N  N   . LEU A 1 187 ? -7.150  -2.673  11.031  1.000 10.948 0 187 LEU A N   1 ? 
ATOM   1348 C  CA  . LEU A 1 187 ? -6.880  -1.240  11.156  1.000 10.258 0 187 LEU A CA  1 ? 
ATOM   1349 C  C   . LEU A 1 187 ? -7.708  -0.635  12.279  1.000 9.834  0 187 LEU A C   1 ? 
ATOM   1350 O  O   . LEU A 1 187 ? -8.887  -0.353  12.065  1.000 11.667 0 187 LEU A O   1 ? 
ATOM   1351 C  CB  . LEU A 1 187 ? -7.194  -0.564  9.829   1.000 10.341 0 187 LEU A CB  1 ? 
ATOM   1352 C  CG  . LEU A 1 187 ? -6.893  0.938   9.775   1.000 10.818 0 187 LEU A CG  1 ? 
ATOM   1353 C  CD1 . LEU A 1 187 ? -5.412  1.199   9.843   1.000 10.797 0 187 LEU A CD1 1 ? 
ATOM   1354 C  CD2 . LEU A 1 187 ? -7.470  1.579   8.512   1.000 12.065 0 187 LEU A CD2 1 ? 
ATOM   1355 N  N   . GLN A 1 188 ? -7.115  -0.412  13.461  1.000 9.756  0 188 GLN A N   1 ? 
ATOM   1356 C  CA  . GLN A 1 188 ? -7.848  0.107   14.605  1.000 10.108 0 188 GLN A CA  1 ? 
ATOM   1357 C  C   . GLN A 1 188 ? -7.632  1.604   14.822  1.000 9.294  0 188 GLN A C   1 ? 
ATOM   1358 O  O   . GLN A 1 188 ? -8.466  2.236   15.456  1.000 8.254  0 188 GLN A O   1 ? 
ATOM   1359 C  CB  . GLN A 1 188 ? -7.509  -0.640  15.894  1.000 10.962 0 188 GLN A CB  1 ? 
ATOM   1360 C  CG  . GLN A 1 188 ? -7.957  -2.094  15.881  1.000 12.760 0 188 GLN A CG  1 ? 
ATOM   1361 C  CD  . GLN A 1 188 ? -9.441  -2.279  16.133  1.000 14.652 0 188 GLN A CD  1 ? 
ATOM   1362 O  OE1 . GLN A 1 188 ? -10.229 -1.331  16.195  1.000 17.456 0 188 GLN A OE1 1 ? 
ATOM   1363 N  NE2 . GLN A 1 188 ? -9.837  -3.537  16.258  1.000 14.411 0 188 GLN A NE2 1 ? 
ATOM   1364 N  N   . GLY A 1 189 ? -6.548  2.176   14.296  1.000 8.600  0 189 GLY A N   1 ? 
ATOM   1365 C  CA  . GLY A 1 189 ? -6.277  3.586   14.557  1.000 8.355  0 189 GLY A CA  1 ? 
ATOM   1366 C  C   . GLY A 1 189 ? -5.670  4.283   13.350  1.000 8.130  0 189 GLY A C   1 ? 
ATOM   1367 O  O   . GLY A 1 189 ? -5.149  3.607   12.445  1.000 7.914  0 189 GLY A O   1 ? 
ATOM   1368 N  N   . ILE A 1 190 ? -5.764  5.615   13.374  1.000 8.891  0 190 ILE A N   1 ? 
ATOM   1369 C  CA  . ILE A 1 190 ? -5.129  6.521   12.408  1.000 7.706  0 190 ILE A CA  1 ? 
ATOM   1370 C  C   . ILE A 1 190 ? -4.290  7.505   13.209  1.000 7.346  0 190 ILE A C   1 ? 
ATOM   1371 O  O   . ILE A 1 190 ? -4.753  8.060   14.194  1.000 7.289  0 190 ILE A O   1 ? 
ATOM   1372 C  CB  . ILE A 1 190 ? -6.163  7.238   11.538  1.000 8.687  0 190 ILE A CB  1 ? 
ATOM   1373 C  CG1 . ILE A 1 190 ? -7.038  6.258   10.763  1.000 9.718  0 190 ILE A CG1 1 ? 
ATOM   1374 C  CG2 . ILE A 1 190 ? -5.532  8.240   10.577  1.000 7.722  0 190 ILE A CG2 1 ? 
ATOM   1375 C  CD1 . ILE A 1 190 ? -8.331  6.900   10.318  1.000 10.792 0 190 ILE A CD1 1 ? 
ATOM   1376 N  N   . VAL A 1 191 ? -3.009  7.657   12.838  1.000 7.426  0 191 VAL A N   1 ? 
ATOM   1377 C  CA  . VAL A 1 191 ? -2.152  8.614   13.511  1.000 7.692  0 191 VAL A CA  1 ? 
ATOM   1378 C  C   . VAL A 1 191 ? -2.823  9.992   13.412  1.000 7.579  0 191 VAL A C   1 ? 
ATOM   1379 O  O   . VAL A 1 191 ? -2.982  10.532  12.313  1.000 6.982  0 191 VAL A O   1 ? 
ATOM   1380 C  CB  . VAL A 1 191 ? -0.733  8.638   12.895  1.000 7.617  0 191 VAL A CB  1 ? 
ATOM   1381 C  CG1 . VAL A 1 191 ? 0.166   9.695   13.521  1.000 7.989  0 191 VAL A CG1 1 ? 
ATOM   1382 C  CG2 . VAL A 1 191 ? -0.066  7.255   12.820  1.000 7.233  0 191 VAL A CG2 1 ? 
ATOM   1383 N  N   . SER A 1 192 ? -3.101  10.623  14.565  1.000 7.994  0 192 SER A N   1 ? 
ATOM   1384 C  CA  . SER A 1 192 ? -3.861  11.865  14.588  1.000 7.820  0 192 SER A CA  1 ? 
ATOM   1385 C  C   . SER A 1 192 ? -3.105  13.021  15.229  1.000 8.232  0 192 SER A C   1 ? 
ATOM   1386 O  O   . SER A 1 192 ? -2.847  14.055  14.581  1.000 8.249  0 192 SER A O   1 ? 
ATOM   1387 C  CB  . SER A 1 192 ? -5.191  11.630  15.247  1.000 8.488  0 192 SER A CB  1 ? 
ATOM   1388 O  OG  . SER A 1 192 ? -6.052  12.756  15.212  1.000 8.194  0 192 SER A OG  1 ? 
ATOM   1389 N  N   . TRP A 1 193 ? -2.770  12.912  16.526  1.000 8.565  0 193 TRP A N   1 ? 
ATOM   1390 C  CA  . TRP A 1 193 ? -2.186  14.061  17.208  1.000 9.396  0 193 TRP A CA  1 ? 
ATOM   1391 C  C   . TRP A 1 193 ? -1.438  13.653  18.475  1.000 10.295 0 193 TRP A C   1 ? 
ATOM   1392 O  O   . TRP A 1 193 ? -1.462  12.524  18.910  1.000 8.895  0 193 TRP A O   1 ? 
ATOM   1393 C  CB  . TRP A 1 193 ? -3.215  15.164  17.494  1.000 10.080 0 193 TRP A CB  1 ? 
ATOM   1394 C  CG  . TRP A 1 193 ? -4.326  14.845  18.461  1.000 10.220 0 193 TRP A CG  1 ? 
ATOM   1395 C  CD1 . TRP A 1 193 ? -5.517  14.241  18.179  1.000 10.371 0 193 TRP A CD1 1 ? 
ATOM   1396 C  CD2 . TRP A 1 193 ? -4.398  15.216  19.857  1.000 11.477 0 193 TRP A CD2 1 ? 
ATOM   1397 N  NE1 . TRP A 1 193 ? -6.334  14.232  19.289  1.000 11.654 0 193 TRP A NE1 1 ? 
ATOM   1398 C  CE2 . TRP A 1 193 ? -5.662  14.817  20.337  1.000 12.202 0 193 TRP A CE2 1 ? 
ATOM   1399 C  CE3 . TRP A 1 193 ? -3.520  15.865  20.724  1.000 12.931 0 193 TRP A CE3 1 ? 
ATOM   1400 C  CZ2 . TRP A 1 193 ? -6.083  15.051  21.651  1.000 13.145 0 193 TRP A CZ2 1 ? 
ATOM   1401 C  CZ3 . TRP A 1 193 ? -3.907  16.065  22.028  1.000 13.964 0 193 TRP A CZ3 1 ? 
ATOM   1402 C  CH2 . TRP A 1 193 ? -5.198  15.724  22.463  1.000 12.862 0 193 TRP A CH2 1 ? 
ATOM   1403 N  N   . GLY A 1 194 ? -0.852  14.655  19.127  1.000 10.719 0 194 GLY A N   1 ? 
ATOM   1404 C  CA  . GLY A 1 194 ? -0.130  14.439  20.375  1.000 12.523 0 194 GLY A CA  1 ? 
ATOM   1405 C  C   . GLY A 1 194 ? 0.536   15.744  20.758  1.000 14.781 0 194 GLY A C   1 ? 
ATOM   1406 O  O   . GLY A 1 194 ? 0.669   16.604  19.881  1.000 16.681 0 194 GLY A O   1 ? 
ATOM   1407 N  N   . SER A 1 195 ? 0.907   15.909  22.024  1.000 14.406 0 195 SER A N   1 ? 
ATOM   1408 C  CA  . SER A 1 195 ? 1.690   17.081  22.401  1.000 15.422 0 195 SER A CA  1 ? 
ATOM   1409 C  C   . SER A 1 195 ? 3.168   16.784  22.193  1.000 15.346 0 195 SER A C   1 ? 
ATOM   1410 O  O   . SER A 1 195 ? 3.783   16.055  22.972  1.000 16.338 0 195 SER A O   1 ? 
ATOM   1411 C  CB  . SER A 1 195 ? 1.426   17.504  23.815  1.000 18.011 0 195 SER A CB  1 ? 
ATOM   1412 O  OG  . SER A 1 195 ? 2.291   18.595  24.123  1.000 21.550 0 195 SER A OG  1 ? 
ATOM   1413 N  N   . GLY A 1 196 ? 3.746   17.352  21.140  1.000 14.697 0 196 GLY A N   1 ? 
ATOM   1414 C  CA  . GLY A 1 196 ? 5.088   16.990  20.745  1.000 14.994 0 196 GLY A CA  1 ? 
ATOM   1415 C  C   . GLY A 1 196 ? 5.119   15.549  20.238  1.000 13.354 0 196 GLY A C   1 ? 
ATOM   1416 O  O   . GLY A 1 196 ? 4.097   15.029  19.804  1.000 14.359 0 196 GLY A O   1 ? 
ATOM   1417 N  N   . CYS A 1 197 ? 6.278   14.926  20.348  1.000 14.030 0 197 CYS A N   1 ? 
ATOM   1418 C  CA  . CYS A 1 197 ? 6.433   13.513  20.052  1.000 14.062 0 197 CYS A CA  1 ? 
ATOM   1419 C  C   . CYS A 1 197 ? 7.341   12.874  21.093  1.000 12.943 0 197 CYS A C   1 ? 
ATOM   1420 O  O   . CYS A 1 197 ? 8.404   13.420  21.419  1.000 14.481 0 197 CYS A O   1 ? 
ATOM   1421 C  CB  . CYS A 1 197 ? 7.067   13.284  18.690  1.000 14.103 0 197 CYS A CB  1 ? 
ATOM   1422 S  SG  . CYS A 1 197 ? 6.297   14.328  17.430  1.000 13.671 0 197 CYS A SG  1 ? 
ATOM   1423 N  N   . ALA A 1 198 ? 6.924   11.709  21.610  1.000 11.977 0 198 ALA A N   1 ? 
ATOM   1424 C  CA  . ALA A 1 198 ? 7.735   10.914  22.529  1.000 13.138 0 198 ALA A CA  1 ? 
ATOM   1425 C  C   . ALA A 1 198 ? 8.100   11.630  23.827  1.000 15.775 0 198 ALA A C   1 ? 
ATOM   1426 O  O   . ALA A 1 198 ? 9.083   11.254  24.481  1.000 15.054 0 198 ALA A O   1 ? 
ATOM   1427 C  CB  . ALA A 1 198 ? 8.970   10.418  21.846  1.000 13.334 0 198 ALA A CB  1 ? 
ATOM   1428 N  N   . GLN A 1 199 ? 7.247   12.565  24.244  1.000 16.103 0 199 GLN A N   1 ? 
ATOM   1429 C  CA  . GLN A 1 199 ? 7.414   13.261  25.513  1.000 17.858 0 199 GLN A CA  1 ? 
ATOM   1430 C  C   . GLN A 1 199 ? 6.777   12.458  26.647  1.000 16.701 0 199 GLN A C   1 ? 
ATOM   1431 O  O   . GLN A 1 199 ? 5.765   11.775  26.505  1.000 15.132 0 199 GLN A O   1 ? 
ATOM   1432 C  CB  . GLN A 1 199 ? 6.793   14.651  25.416  1.000 19.572 0 199 GLN A CB  1 ? 
ATOM   1433 C  CG  . GLN A 1 199 ? 7.454   15.565  24.388  1.000 22.260 0 199 GLN A CG  1 ? 
ATOM   1434 C  CD  . GLN A 1 199 ? 8.945   15.670  24.586  1.000 27.692 0 199 GLN A CD  1 ? 
ATOM   1435 O  OE1 . GLN A 1 199 ? 9.416   16.220  25.589  1.000 31.248 0 199 GLN A OE1 1 ? 
ATOM   1436 N  NE2 . GLN A 1 199 ? 9.715   15.139  23.643  1.000 30.043 0 199 GLN A NE2 1 ? 
ATOM   1437 N  N   . LYS A 1 200 ? 7.361   12.619  27.834  1.000 18.271 0 200 LYS A N   1 ? 
ATOM   1438 C  CA  . LYS A 1 200 ? 6.875   11.938  29.024  1.000 19.449 0 200 LYS A CA  1 ? 
ATOM   1439 C  C   . LYS A 1 200 ? 5.443   12.409  29.297  1.000 17.157 0 200 LYS A C   1 ? 
ATOM   1440 O  O   . LYS A 1 200 ? 5.140   13.592  29.178  1.000 16.798 0 200 LYS A O   1 ? 
ATOM   1441 C  CB  . LYS A 1 200 ? 7.926   12.228  30.125  1.000 24.958 0 200 LYS A CB  1 ? 
ATOM   1442 C  CG  . LYS A 1 200 ? 7.596   11.864  31.541  1.000 31.852 0 200 LYS A CG  1 ? 
ATOM   1443 C  CD  . LYS A 1 200 ? 8.764   12.232  32.458  1.000 41.558 0 200 LYS A CD  1 ? 
ATOM   1444 C  CE  . LYS A 1 200 ? 8.488   12.081  33.923  1.000 49.223 0 200 LYS A CE  1 ? 
ATOM   1445 N  NZ  . LYS A 1 200 ? 8.037   10.720  34.229  1.000 56.516 0 200 LYS A NZ  1 ? 
ATOM   1446 N  N   . ASN A 1 201 ? 4.570   11.457  29.661  1.000 17.203 0 201 ASN A N   1 ? 
ATOM   1447 C  CA  . ASN A 1 201 ? 3.160   11.634  30.003  1.000 18.742 0 201 ASN A CA  1 ? 
ATOM   1448 C  C   . ASN A 1 201 ? 2.319   12.254  28.887  1.000 16.984 0 201 ASN A C   1 ? 
ATOM   1449 O  O   . ASN A 1 201 ? 1.213   12.717  29.163  1.000 15.183 0 201 ASN A O   1 ? 
ATOM   1450 C  CB  . ASN A 1 201 ? 2.969   12.377  31.327  1.000 23.169 0 201 ASN A CB  1 ? 
ATOM   1451 C  CG  . ASN A 1 201 ? 3.566   11.586  32.475  1.000 28.330 0 201 ASN A CG  1 ? 
ATOM   1452 O  OD1 . ASN A 1 201 ? 4.288   12.144  33.306  1.000 31.296 0 201 ASN A OD1 1 ? 
ATOM   1453 N  ND2 . ASN A 1 201 ? 3.300   10.287  32.525  1.000 29.799 0 201 ASN A ND2 1 ? 
ATOM   1454 N  N   . LYS A 1 202 ? 2.815   12.244  27.638  1.000 16.438 0 202 LYS A N   1 ? 
ATOM   1455 C  CA  . LYS A 1 202 ? 2.103   12.806  26.510  1.000 15.107 0 202 LYS A CA  1 ? 
ATOM   1456 C  C   . LYS A 1 202 ? 2.096   11.750  25.396  1.000 13.180 0 202 LYS A C   1 ? 
ATOM   1457 O  O   . LYS A 1 202 ? 2.836   11.848  24.422  1.000 14.012 0 202 LYS A O   1 ? 
ATOM   1458 C  CB  . LYS A 1 202 ? 2.692   14.147  26.055  1.000 17.353 0 202 LYS A CB  1 ? 
ATOM   1459 C  CG  . LYS A 1 202 ? 2.641   15.240  27.095  1.000 18.605 0 202 LYS A CG  1 ? 
ATOM   1460 C  CD  . LYS A 1 202 ? 1.221   15.691  27.407  1.000 23.087 0 202 LYS A CD  1 ? 
ATOM   1461 C  CE  . LYS A 1 202 ? 1.165   16.790  28.427  1.000 27.268 0 202 LYS A CE  1 ? 
ATOM   1462 N  NZ  . LYS A 1 202 ? -0.235  17.125  28.739  1.000 28.506 0 202 LYS A NZ  1 ? 
ATOM   1463 N  N   . PRO A 1 203 ? 1.267   10.683  25.502  1.000 12.574 0 203 PRO A N   1 ? 
ATOM   1464 C  CA  . PRO A 1 203 ? 1.312   9.620   24.491  1.000 11.511 0 203 PRO A CA  1 ? 
ATOM   1465 C  C   . PRO A 1 203 ? 0.619   10.072  23.201  1.000 10.503 0 203 PRO A C   1 ? 
ATOM   1466 O  O   . PRO A 1 203 ? 0.011   11.143  23.101  1.000 10.916 0 203 PRO A O   1 ? 
ATOM   1467 C  CB  . PRO A 1 203 ? 0.605   8.459   25.140  1.000 12.043 0 203 PRO A CB  1 ? 
ATOM   1468 C  CG  . PRO A 1 203 ? -0.343  9.130   26.096  1.000 12.740 0 203 PRO A CG  1 ? 
ATOM   1469 C  CD  . PRO A 1 203 ? 0.287   10.429  26.562  1.000 12.755 0 203 PRO A CD  1 ? 
ATOM   1470 N  N   . GLY A 1 204 ? 0.719   9.232   22.194  1.000 9.340  0 204 GLY A N   1 ? 
ATOM   1471 C  CA  . GLY A 1 204 ? 0.068   9.497   20.929  1.000 8.706  0 204 GLY A CA  1 ? 
ATOM   1472 C  C   . GLY A 1 204 ? -1.444  9.327   21.050  1.000 8.646  0 204 GLY A C   1 ? 
ATOM   1473 O  O   . GLY A 1 204 ? -1.881  8.445   21.762  1.000 9.190  0 204 GLY A O   1 ? 
ATOM   1474 N  N   . VAL A 1 205 ? -2.192  10.143  20.298  1.000 8.169  0 205 VAL A N   1 ? 
ATOM   1475 C  CA  . VAL A 1 205 ? -3.641  10.081  20.204  1.000 8.399  0 205 VAL A CA  1 ? 
ATOM   1476 C  C   . VAL A 1 205 ? -4.030  9.693   18.778  1.000 9.354  0 205 VAL A C   1 ? 
ATOM   1477 O  O   . VAL A 1 205 ? -3.471  10.248  17.803  1.000 9.961  0 205 VAL A O   1 ? 
ATOM   1478 C  CB  . VAL A 1 205 ? -4.324  11.391  20.617  1.000 8.915  0 205 VAL A CB  1 ? 
ATOM   1479 C  CG1 . VAL A 1 205 ? -5.820  11.182  20.736  1.000 9.639  0 205 VAL A CG1 1 ? 
ATOM   1480 C  CG2 . VAL A 1 205 ? -3.803  11.927  21.927  1.000 9.924  0 205 VAL A CG2 1 ? 
ATOM   1481 N  N   . TYR A 1 206 ? -4.965  8.734   18.688  1.000 8.898  0 206 TYR A N   1 ? 
ATOM   1482 C  CA  . TYR A 1 206 ? -5.274  8.017   17.456  1.000 8.296  0 206 TYR A CA  1 ? 
ATOM   1483 C  C   . TYR A 1 206 ? -6.783  8.073   17.243  1.000 8.039  0 206 TYR A C   1 ? 
ATOM   1484 O  O   . TYR A 1 206 ? -7.575  7.939   18.189  1.000 8.125  0 206 TYR A O   1 ? 
ATOM   1485 C  CB  . TYR A 1 206 ? -4.742  6.587   17.542  1.000 8.407  0 206 TYR A CB  1 ? 
ATOM   1486 C  CG  . TYR A 1 206 ? -3.227  6.585   17.647  1.000 8.594  0 206 TYR A CG  1 ? 
ATOM   1487 C  CD1 . TYR A 1 206 ? -2.449  6.718   16.513  1.000 8.111  0 206 TYR A CD1 1 ? 
ATOM   1488 C  CD2 . TYR A 1 206 ? -2.587  6.535   18.882  1.000 9.505  0 206 TYR A CD2 1 ? 
ATOM   1489 C  CE1 . TYR A 1 206 ? -1.062  6.727   16.577  1.000 8.603  0 206 TYR A CE1 1 ? 
ATOM   1490 C  CE2 . TYR A 1 206 ? -1.207  6.581   18.969  1.000 9.048  0 206 TYR A CE2 1 ? 
ATOM   1491 C  CZ  . TYR A 1 206 ? -0.438  6.716   17.816  1.000 9.320  0 206 TYR A CZ  1 ? 
ATOM   1492 O  OH  . TYR A 1 206 ? 0.915   6.765   17.945  1.000 9.956  0 206 TYR A OH  1 ? 
ATOM   1493 N  N   . THR A 1 207 ? -7.203  8.254   15.990  1.000 8.072  0 207 THR A N   1 ? 
ATOM   1494 C  CA  . THR A 1 207 ? -8.589  8.146   15.593  1.000 7.518  0 207 THR A CA  1 ? 
ATOM   1495 C  C   . THR A 1 207 ? -9.021  6.700   15.814  1.000 8.201  0 207 THR A C   1 ? 
ATOM   1496 O  O   . THR A 1 207 ? -8.354  5.803   15.333  1.000 8.396  0 207 THR A O   1 ? 
ATOM   1497 C  CB  . THR A 1 207 ? -8.820  8.563   14.129  1.000 7.958  0 207 THR A CB  1 ? 
ATOM   1498 O  OG1 . THR A 1 207 ? -8.233  9.854   13.995  1.000 8.729  0 207 THR A OG1 1 ? 
ATOM   1499 C  CG2 . THR A 1 207 ? -10.294 8.657   13.783  1.000 8.126  0 207 THR A CG2 1 ? 
ATOM   1500 N  N   . LYS A 1 208 ? -10.173 6.509   16.463  1.000 9.457  0 208 LYS A N   1 ? 
ATOM   1501 C  CA  . LYS A 1 208 ? -10.716 5.184   16.760  1.000 10.264 0 208 LYS A CA  1 ? 
ATOM   1502 C  C   . LYS A 1 208 ? -11.550 4.679   15.581  1.000 9.663  0 208 LYS A C   1 ? 
ATOM   1503 O  O   . LYS A 1 208 ? -12.767 4.881   15.550  1.000 11.246 0 208 LYS A O   1 ? 
ATOM   1504 C  CB  . LYS A 1 208 ? -11.550 5.247   18.057  1.000 11.638 0 208 LYS A CB  1 ? 
ATOM   1505 C  CG  . LYS A 1 208 ? -11.977 3.889   18.603  1.000 14.075 0 208 LYS A CG  1 ? 
ATOM   1506 C  CD  . LYS A 1 208 ? -12.660 3.964   19.966  1.000 17.916 0 208 LYS A CD  1 ? 
ATOM   1507 C  CE  . LYS A 1 208 ? -12.980 2.604   20.509  1.000 25.029 0 208 LYS A CE  1 ? 
ATOM   1508 N  NZ  . LYS A 1 208 ? -13.275 2.699   21.952  1.000 27.763 0 208 LYS A NZ  1 ? 
ATOM   1509 N  N   . VAL A 1 209 ? -10.925 3.912   14.684  1.000 8.788  0 209 VAL A N   1 ? 
ATOM   1510 C  CA  . VAL A 1 209 ? -11.475 3.500   13.400  1.000 9.980  0 209 VAL A CA  1 ? 
ATOM   1511 C  C   . VAL A 1 209 ? -12.743 2.654   13.568  1.000 9.659  0 209 VAL A C   1 ? 
ATOM   1512 O  O   . VAL A 1 209 ? -13.657 2.758   12.744  1.000 10.923 0 209 VAL A O   1 ? 
ATOM   1513 C  CB  . VAL A 1 209 ? -10.451 2.737   12.558  1.000 9.939  0 209 VAL A CB  1 ? 
ATOM   1514 C  CG1 . VAL A 1 209 ? -11.098 2.140   11.319  1.000 9.735  0 209 VAL A CG1 1 ? 
ATOM   1515 C  CG2 . VAL A 1 209 ? -9.263  3.632   12.198  1.000 10.144 0 209 VAL A CG2 1 ? 
ATOM   1516 N  N   . CYS A 1 210 ? -12.840 1.882   14.664  1.000 9.961  0 210 CYS A N   1 ? 
ATOM   1517 C  CA  . CYS A 1 210 ? -13.993 1.002   14.800  1.000 10.667 0 210 CYS A CA  1 ? 
ATOM   1518 C  C   . CYS A 1 210 ? -15.306 1.787   14.921  1.000 11.888 0 210 CYS A C   1 ? 
ATOM   1519 O  O   . CYS A 1 210 ? -16.346 1.209   14.605  1.000 13.949 0 210 CYS A O   1 ? 
ATOM   1520 C  CB  . CYS A 1 210 ? -13.833 0.052   15.972  1.000 10.964 0 210 CYS A CB  1 ? 
ATOM   1521 S  SG  . CYS A 1 210 ? -13.757 0.943   17.542  1.000 12.549 0 210 CYS A SG  1 ? 
ATOM   1522 N  N   . ASN A 1 211 ? -15.262 3.093   15.264  1.000 10.451 0 211 ASN A N   1 ? 
ATOM   1523 C  CA  . ASN A 1 211 ? -16.463 3.907   15.333  1.000 10.997 0 211 ASN A CA  1 ? 
ATOM   1524 C  C   . ASN A 1 211 ? -16.933 4.372   13.938  1.000 11.120 0 211 ASN A C   1 ? 
ATOM   1525 O  O   . ASN A 1 211 ? -18.046 4.917   13.812  1.000 13.947 0 211 ASN A O   1 ? 
ATOM   1526 C  CB  . ASN A 1 211 ? -16.286 5.116   16.243  1.000 11.457 0 211 ASN A CB  1 ? 
ATOM   1527 C  CG  . ASN A 1 211 ? -16.107 4.731   17.695  1.000 12.044 0 211 ASN A CG  1 ? 
ATOM   1528 O  OD1 . ASN A 1 211 ? -16.318 3.595   18.084  1.000 14.435 0 211 ASN A OD1 1 ? 
ATOM   1529 N  ND2 . ASN A 1 211 ? -15.923 5.718   18.537  1.000 14.261 0 211 ASN A ND2 1 ? 
ATOM   1530 N  N   . TYR A 1 212 ? -16.131 4.131   12.902  1.000 9.807  0 212 TYR A N   1 ? 
ATOM   1531 C  CA  . TYR A 1 212 ? -16.344 4.697   11.565  1.000 9.972  0 212 TYR A CA  1 ? 
ATOM   1532 C  C   . TYR A 1 212 ? -16.643 3.643   10.490  1.000 10.764 0 212 TYR A C   1 ? 
ATOM   1533 O  O   . TYR A 1 212 ? -16.789 4.005   9.309   1.000 10.698 0 212 TYR A O   1 ? 
ATOM   1534 C  CB  . TYR A 1 212 ? -15.124 5.537   11.162  1.000 8.943  0 212 TYR A CB  1 ? 
ATOM   1535 C  CG  . TYR A 1 212 ? -14.963 6.710   12.111  1.000 9.204  0 212 TYR A CG  1 ? 
ATOM   1536 C  CD1 . TYR A 1 212 ? -15.751 7.830   11.984  1.000 9.872  0 212 TYR A CD1 1 ? 
ATOM   1537 C  CD2 . TYR A 1 212 ? -14.023 6.676   13.132  1.000 9.642  0 212 TYR A CD2 1 ? 
ATOM   1538 C  CE1 . TYR A 1 212 ? -15.675 8.869   12.888  1.000 10.007 0 212 TYR A CE1 1 ? 
ATOM   1539 C  CE2 . TYR A 1 212 ? -13.906 7.710   14.035  1.000 9.228  0 212 TYR A CE2 1 ? 
ATOM   1540 C  CZ  . TYR A 1 212 ? -14.728 8.814   13.906  1.000 9.835  0 212 TYR A CZ  1 ? 
ATOM   1541 O  OH  . TYR A 1 212 ? -14.659 9.838   14.790  1.000 10.696 0 212 TYR A OH  1 ? 
ATOM   1542 N  N   . VAL A 1 213 ? -16.695 2.354   10.863  1.000 11.586 0 213 VAL A N   1 ? 
ATOM   1543 C  CA  . VAL A 1 213 ? -16.800 1.318   9.853   1.000 12.622 0 213 VAL A CA  1 ? 
ATOM   1544 C  C   . VAL A 1 213 ? -18.112 1.445   9.065   1.000 11.951 0 213 VAL A C   1 ? 
ATOM   1545 O  O   . VAL A 1 213 ? -18.108 1.235   7.856   1.000 11.768 0 213 VAL A O   1 ? 
ATOM   1546 C  CB  . VAL A 1 213 ? -16.545 -0.059  10.498  1.000 14.717 0 213 VAL A CB  1 ? 
ATOM   1547 C  CG1 . VAL A 1 213 ? -16.808 -1.195  9.528   1.000 17.312 0 213 VAL A CG1 1 ? 
ATOM   1548 C  CG2 . VAL A 1 213 ? -15.119 -0.146  11.023  1.000 14.940 0 213 VAL A CG2 1 ? 
ATOM   1549 N  N   . SER A 1 214 ? -19.222 1.792   9.702   1.000 11.986 0 214 SER A N   1 ? 
ATOM   1550 C  CA  . SER A 1 214 ? -20.472 1.981   8.974   1.000 13.272 0 214 SER A CA  1 ? 
ATOM   1551 C  C   . SER A 1 214 ? -20.363 3.105   7.945   1.000 11.842 0 214 SER A C   1 ? 
ATOM   1552 O  O   . SER A 1 214 ? -20.767 2.945   6.791   1.000 12.106 0 214 SER A O   1 ? 
ATOM   1553 C  CB  . SER A 1 214 ? -21.609 2.212   9.926   1.000 15.865 0 214 SER A CB  1 ? 
ATOM   1554 O  OG  . SER A 1 214 ? -21.848 0.978   10.596  1.000 20.901 0 214 SER A OG  1 ? 
ATOM   1555 N  N   . TRP A 1 215 ? -19.803 4.254   8.358   1.000 10.318 0 215 TRP A N   1 ? 
ATOM   1556 C  CA  . TRP A 1 215 ? -19.606 5.345   7.413   1.000 9.630  0 215 TRP A CA  1 ? 
ATOM   1557 C  C   . TRP A 1 215 ? -18.689 4.933   6.262   1.000 9.900  0 215 TRP A C   1 ? 
ATOM   1558 O  O   . TRP A 1 215 ? -18.936 5.268   5.100   1.000 10.476 0 215 TRP A O   1 ? 
ATOM   1559 C  CB  . TRP A 1 215 ? -19.096 6.580   8.180   1.000 9.236  0 215 TRP A CB  1 ? 
ATOM   1560 C  CG  . TRP A 1 215 ? -18.668 7.712   7.295   1.000 9.208  0 215 TRP A CG  1 ? 
ATOM   1561 C  CD1 . TRP A 1 215 ? -19.465 8.572   6.612   1.000 9.147  0 215 TRP A CD1 1 ? 
ATOM   1562 C  CD2 . TRP A 1 215 ? -17.324 8.083   6.984   1.000 9.430  0 215 TRP A CD2 1 ? 
ATOM   1563 N  NE1 . TRP A 1 215 ? -18.725 9.407   5.831   1.000 9.198  0 215 TRP A NE1 1 ? 
ATOM   1564 C  CE2 . TRP A 1 215 ? -17.400 9.149   6.056   1.000 9.751  0 215 TRP A CE2 1 ? 
ATOM   1565 C  CE3 . TRP A 1 215 ? -16.062 7.635   7.364   1.000 9.864  0 215 TRP A CE3 1 ? 
ATOM   1566 C  CZ2 . TRP A 1 215 ? -16.282 9.800   5.556   1.000 10.190 0 215 TRP A CZ2 1 ? 
ATOM   1567 C  CZ3 . TRP A 1 215 ? -14.955 8.245   6.814   1.000 10.066 0 215 TRP A CZ3 1 ? 
ATOM   1568 C  CH2 . TRP A 1 215 ? -15.061 9.350   5.967   1.000 9.621  0 215 TRP A CH2 1 ? 
ATOM   1569 N  N   . ILE A 1 216 ? -17.601 4.227   6.559   1.000 10.077 0 216 ILE A N   1 ? 
ATOM   1570 C  CA  . ILE A 1 216 ? -16.695 3.828   5.487   1.000 10.359 0 216 ILE A CA  1 ? 
ATOM   1571 C  C   . ILE A 1 216 ? -17.414 2.932   4.478   1.000 10.964 0 216 ILE A C   1 ? 
ATOM   1572 O  O   . ILE A 1 216 ? -17.323 3.147   3.263   1.000 9.878  0 216 ILE A O   1 ? 
ATOM   1573 C  CB  . ILE A 1 216 ? -15.436 3.151   6.057   1.000 11.911 0 216 ILE A CB  1 ? 
ATOM   1574 C  CG1 . ILE A 1 216 ? -14.625 4.142   6.860   1.000 12.234 0 216 ILE A CG1 1 ? 
ATOM   1575 C  CG2 . ILE A 1 216 ? -14.627 2.508   4.950   1.000 12.291 0 216 ILE A CG2 1 ? 
ATOM   1576 C  CD1 . ILE A 1 216 ? -13.452 3.537   7.595   1.000 13.202 0 216 ILE A CD1 1 ? 
ATOM   1577 N  N   . LYS A 1 217 ? -18.119 1.911   4.993   1.000 11.989 0 217 LYS A N   1 ? 
ATOM   1578 C  CA  . LYS A 1 217 ? -18.739 0.942   4.105   1.000 13.897 0 217 LYS A CA  1 ? 
ATOM   1579 C  C   . LYS A 1 217 ? -19.825 1.583   3.242   1.000 13.759 0 217 LYS A C   1 ? 
ATOM   1580 O  O   . LYS A 1 217 ? -19.923 1.299   2.045   1.000 14.181 0 217 LYS A O   1 ? 
ATOM   1581 C  CB  . LYS A 1 217 ? -19.292 -0.207  4.958   1.000 17.312 0 217 LYS A CB  1 ? 
ATOM   1582 C  CG  . LYS A 1 217 ? -18.194 -1.122  5.439   1.000 22.215 0 217 LYS A CG  1 ? 
ATOM   1583 C  CD  . LYS A 1 217 ? -18.789 -2.210  6.334   1.000 28.159 0 217 LYS A CD  1 ? 
ATOM   1584 C  CE  . LYS A 1 217 ? -17.809 -3.190  6.879   1.000 33.049 0 217 LYS A CE  1 ? 
ATOM   1585 N  NZ  . LYS A 1 217 ? -16.920 -3.604  5.791   1.000 37.662 0 217 LYS A NZ  1 ? 
ATOM   1586 N  N   . GLN A 1 218 ? -20.628 2.467   3.841   1.000 13.744 0 218 GLN A N   1 ? 
ATOM   1587 C  CA  . GLN A 1 218 ? -21.689 3.125   3.085   1.000 14.917 0 218 GLN A CA  1 ? 
ATOM   1588 C  C   . GLN A 1 218 ? -21.082 4.064   2.051   1.000 13.612 0 218 GLN A C   1 ? 
ATOM   1589 O  O   . GLN A 1 218 ? -21.612 4.163   0.945   1.000 13.166 0 218 GLN A O   1 ? 
ATOM   1590 C  CB  . GLN A 1 218 ? -22.675 3.791   4.055   1.000 18.884 0 218 GLN A CB  1 ? 
ATOM   1591 C  CG  . GLN A 1 218 ? -22.202 5.096   4.690   1.000 26.474 0 218 GLN A CG  1 ? 
ATOM   1592 C  CD  . GLN A 1 218 ? -22.860 6.348   4.128   1.000 35.524 0 218 GLN A CD  1 ? 
ATOM   1593 O  OE1 . GLN A 1 218 ? -24.074 6.375   3.867   1.000 47.351 0 218 GLN A OE1 1 ? 
ATOM   1594 N  NE2 . GLN A 1 218 ? -22.083 7.414   3.964   1.000 28.493 0 218 GLN A NE2 1 ? 
ATOM   1595 N  N   . THR A 1 219 ? -19.982 4.766   2.403   1.000 10.848 0 219 THR A N   1 ? 
ATOM   1596 C  CA  . THR A 1 219 ? -19.398 5.740   1.482   1.000 11.017 0 219 THR A CA  1 ? 
ATOM   1597 C  C   . THR A 1 219 ? -18.798 4.996   0.283   1.000 11.630 0 219 THR A C   1 ? 
ATOM   1598 O  O   . THR A 1 219 ? -19.014 5.383   -0.872  1.000 12.247 0 219 THR A O   1 ? 
ATOM   1599 C  CB  . THR A 1 219 ? -18.385 6.631   2.210   1.000 11.022 0 219 THR A CB  1 ? 
ATOM   1600 O  OG1 . THR A 1 219 ? -19.070 7.284   3.271   1.000 11.861 0 219 THR A OG1 1 ? 
ATOM   1601 C  CG2 . THR A 1 219 ? -17.748 7.629   1.262   1.000 11.952 0 219 THR A CG2 1 ? 
ATOM   1602 N  N   . ILE A 1 220 ? -18.098 3.883   0.529   1.000 12.458 0 220 ILE A N   1 ? 
ATOM   1603 C  CA  . ILE A 1 220 ? -17.519 3.105   -0.554  1.000 13.345 0 220 ILE A CA  1 ? 
ATOM   1604 C  C   . ILE A 1 220 ? -18.590 2.518   -1.465  1.000 15.355 0 220 ILE A C   1 ? 
ATOM   1605 O  O   . ILE A 1 220 ? -18.376 2.364   -2.673  1.000 16.303 0 220 ILE A O   1 ? 
ATOM   1606 C  CB  . ILE A 1 220 ? -16.624 2.000   0.016   1.000 17.024 0 220 ILE A CB  1 ? 
ATOM   1607 C  CG1 . ILE A 1 220 ? -15.376 2.647   0.588   1.000 19.031 0 220 ILE A CG1 1 ? 
ATOM   1608 C  CG2 . ILE A 1 220 ? -16.344 0.909   -1.028  1.000 19.594 0 220 ILE A CG2 1 ? 
ATOM   1609 C  CD1 . ILE A 1 220 ? -14.397 1.617   1.138   1.000 22.027 0 220 ILE A CD1 1 ? 
ATOM   1610 N  N   . ALA A 1 221 ? -19.731 2.169   -0.889  1.000 14.847 0 221 ALA A N   1 ? 
ATOM   1611 C  CA  . ALA A 1 221 ? -20.776 1.542   -1.663  1.000 16.259 0 221 ALA A CA  1 ? 
ATOM   1612 C  C   . ALA A 1 221 ? -21.532 2.539   -2.529  1.000 19.822 0 221 ALA A C   1 ? 
ATOM   1613 O  O   . ALA A 1 221 ? -22.381 2.140   -3.322  1.000 18.917 0 221 ALA A O   1 ? 
ATOM   1614 C  CB  . ALA A 1 221 ? -21.685 0.813   -0.714  1.000 16.460 0 221 ALA A CB  1 ? 
ATOM   1615 N  N   . SER A 1 222 ? -21.196 3.825   -2.421  1.000 17.684 0 222 SER A N   1 ? 
ATOM   1616 C  CA  . SER A 1 222 ? -21.955 4.887   -3.055  1.000 19.578 0 222 SER A CA  1 ? 
ATOM   1617 C  C   . SER A 1 222 ? -21.121 5.816   -3.933  1.000 18.177 0 222 SER A C   1 ? 
ATOM   1618 O  O   . SER A 1 222 ? -21.666 6.774   -4.462  1.000 19.607 0 222 SER A O   1 ? 
ATOM   1619 C  CB  . SER A 1 222 ? -22.627 5.705   -1.998  1.000 22.171 0 222 SER A CB  1 ? 
ATOM   1620 O  OG  . SER A 1 222 ? -23.671 4.950   -1.430  1.000 27.826 0 222 SER A OG  1 ? 
ATOM   1621 N  N   . ASN A 1 223 ? -19.798 5.623   -4.011  1.000 16.929 0 223 ASN A N   1 ? 
ATOM   1622 C  CA  . ASN A 1 223 ? -18.903 6.525   -4.723  1.000 16.936 0 223 ASN A CA  1 ? 
ATOM   1623 C  C   . ASN A 1 223 ? -17.787 5.740   -5.417  1.000 18.544 0 223 ASN A C   1 ? 
ATOM   1624 O  O   . ASN A 1 223 ? -16.945 6.405   -6.145  1.000 20.639 0 223 ASN A O   1 ? 
ATOM   1625 C  CB  . ASN A 1 223 ? -18.127 7.442   -3.776  1.000 17.212 0 223 ASN A CB  1 ? 
ATOM   1626 C  CG  . ASN A 1 223 ? -19.000 8.461   -3.129  1.000 17.887 0 223 ASN A CG  1 ? 
ATOM   1627 O  OD1 . ASN A 1 223 ? -19.137 9.585   -3.641  1.000 18.004 0 223 ASN A OD1 1 ? 
ATOM   1628 N  ND2 . ASN A 1 223 ? -19.537 8.110   -1.971  1.000 17.185 0 223 ASN A ND2 1 ? 
ATOM   1629 O  OXT . ASN A 1 223 ? -17.764 4.528   -5.175  1.000 15.808 0 223 ASN A OXT 1 ? 
HETATM 1630 CA CA  . CA  B 2 .   ? 10.424  4.321   -3.737  1.000 10.464 0 301 CA  A CA  1 ? 
HETATM 1631 C  C1  . BEN C 3 .   ? 1.917   12.882  17.059  1.000 12.190 0 302 BEN A C1  1 ? 
HETATM 1632 C  C2  . BEN C 3 .   ? 1.587   12.313  15.834  1.000 12.999 0 302 BEN A C2  1 ? 
HETATM 1633 C  C3  . BEN C 3 .   ? 1.252   13.113  14.743  1.000 12.655 0 302 BEN A C3  1 ? 
HETATM 1634 C  C4  . BEN C 3 .   ? 1.203   14.477  14.873  1.000 14.234 0 302 BEN A C4  1 ? 
HETATM 1635 C  C5  . BEN C 3 .   ? 1.421   15.046  16.112  1.000 15.334 0 302 BEN A C5  1 ? 
HETATM 1636 C  C6  . BEN C 3 .   ? 1.825   14.261  17.184  1.000 14.809 0 302 BEN A C6  1 ? 
HETATM 1637 C  C   . BEN C 3 .   ? 2.276   12.038  18.230  1.000 11.824 0 302 BEN A C   1 ? 
HETATM 1638 N  N1  . BEN C 3 .   ? 1.956   10.780  18.316  1.000 11.641 0 302 BEN A N1  1 ? 
HETATM 1639 N  N2  . BEN C 3 .   ? 2.954   12.632  19.222  1.000 12.030 0 302 BEN A N2  1 ? 
HETATM 1640 O  O   . HOH D 4 .   ? -6.432  -5.869  25.407  1.000 24.048 0 401 HOH A O   1 ? 
HETATM 1641 O  O   . HOH D 4 .   ? -11.029 3.719   -9.162  1.000 29.339 0 402 HOH A O   1 ? 
HETATM 1642 O  O   . HOH D 4 .   ? 11.440  0.545   18.682  1.000 22.725 0 403 HOH A O   1 ? 
HETATM 1643 O  O   . HOH D 4 .   ? 4.334   9.597   26.390  1.000 26.936 0 404 HOH A O   1 ? 
HETATM 1644 O  O   . HOH D 4 .   ? 8.442   16.945  21.145  1.000 18.313 0 405 HOH A O   1 ? 
HETATM 1645 O  O   . HOH D 4 .   ? 12.114  21.465  18.610  1.000 24.002 0 406 HOH A O   1 ? 
HETATM 1646 O  O   . HOH D 4 .   ? -8.172  16.395  -2.210  1.000 32.584 0 407 HOH A O   1 ? 
HETATM 1647 O  O   . HOH D 4 .   ? -0.274  7.745   -12.083 1.000 30.275 0 408 HOH A O   1 ? 
HETATM 1648 O  O   . HOH D 4 .   ? 10.575  2.208   -2.755  1.000 11.017 0 409 HOH A O   1 ? 
HETATM 1649 O  O   . HOH D 4 .   ? -10.738 1.190   16.432  1.000 12.972 0 410 HOH A O   1 ? 
HETATM 1650 O  O   . HOH D 4 .   ? 14.073  -0.665  4.468   1.000 14.329 0 411 HOH A O   1 ? 
HETATM 1651 O  O   . HOH D 4 .   ? 2.253   6.436   20.135  1.000 10.837 0 412 HOH A O   1 ? 
HETATM 1652 O  O   . HOH D 4 .   ? -16.491 2.110   -4.444  1.000 24.320 0 413 HOH A O   1 ? 
HETATM 1653 O  O   . HOH D 4 .   ? 10.528  11.342  5.520   1.000 24.557 0 414 HOH A O   1 ? 
HETATM 1654 O  O   . HOH D 4 .   ? 4.028   16.297  6.595   1.000 35.232 0 415 HOH A O   1 ? 
HETATM 1655 O  O   . HOH D 4 .   ? 6.059   18.175  17.285  1.000 36.467 0 416 HOH A O   1 ? 
HETATM 1656 O  O   . HOH D 4 .   ? -5.346  2.704   33.802  1.000 29.347 0 417 HOH A O   1 ? 
HETATM 1657 O  O   . HOH D 4 .   ? 14.881  0.355   0.510   1.000 18.735 0 418 HOH A O   1 ? 
HETATM 1658 O  O   . HOH D 4 .   ? 13.787  7.969   21.757  1.000 22.592 0 419 HOH A O   1 ? 
HETATM 1659 O  O   . HOH D 4 .   ? 9.237   -3.321  -11.592 1.000 38.231 0 420 HOH A O   1 ? 
HETATM 1660 O  O   . HOH D 4 .   ? 7.804   17.111  14.393  1.000 26.807 0 421 HOH A O   1 ? 
HETATM 1661 O  O   . HOH D 4 .   ? 16.028  8.854   -6.599  1.000 21.507 0 422 HOH A O   1 ? 
HETATM 1662 O  O   . HOH D 4 .   ? -16.931 8.837   -7.195  1.000 31.273 0 423 HOH A O   1 ? 
HETATM 1663 O  O   . HOH D 4 .   ? 11.065  18.788  17.128  1.000 60.232 0 424 HOH A O   1 ? 
HETATM 1664 O  O   . HOH D 4 .   ? 14.339  7.812   16.686  1.000 19.162 0 425 HOH A O   1 ? 
HETATM 1665 O  O   . HOH D 4 .   ? 2.696   -6.556  8.009   1.000 22.820 0 426 HOH A O   1 ? 
HETATM 1666 O  O   . HOH D 4 .   ? 10.106  16.354  17.006  1.000 34.563 0 427 HOH A O   1 ? 
HETATM 1667 O  O   . HOH D 4 .   ? 8.411   15.587  2.628   1.000 23.298 0 428 HOH A O   1 ? 
HETATM 1668 O  O   . HOH D 4 .   ? -10.457 -3.429  4.242   1.000 19.407 0 429 HOH A O   1 ? 
HETATM 1669 O  O   . HOH D 4 .   ? 9.181   -5.183  -9.386  1.000 37.276 0 430 HOH A O   1 ? 
HETATM 1670 O  O   . HOH D 4 .   ? -9.259  24.672  12.898  1.000 21.600 0 431 HOH A O   1 ? 
HETATM 1671 O  O   . HOH D 4 .   ? -8.307  2.110   25.815  1.000 27.378 0 432 HOH A O   1 ? 
HETATM 1672 O  O   . HOH D 4 .   ? 7.738   8.788   -2.938  1.000 11.764 0 433 HOH A O   1 ? 
HETATM 1673 O  O   . HOH D 4 .   ? 3.527   -3.061  -7.019  1.000 16.782 0 434 HOH A O   1 ? 
HETATM 1674 O  O   . HOH D 4 .   ? -15.790 15.062  -1.682  1.000 18.276 0 435 HOH A O   1 ? 
HETATM 1675 O  O   . HOH D 4 .   ? 4.734   -2.061  0.410   1.000 15.040 0 436 HOH A O   1 ? 
HETATM 1676 O  O   . HOH D 4 .   ? 6.213   16.054  29.104  1.000 27.182 0 437 HOH A O   1 ? 
HETATM 1677 O  O   . HOH D 4 .   ? 11.612  -0.193  5.922   1.000 13.886 0 438 HOH A O   1 ? 
HETATM 1678 O  O   . HOH D 4 .   ? -2.559  19.191  24.692  1.000 21.920 0 439 HOH A O   1 ? 
HETATM 1679 O  O   . HOH D 4 .   ? -7.751  -7.948  4.456   1.000 55.533 0 440 HOH A O   1 ? 
HETATM 1680 O  O   . HOH D 4 .   ? -4.806  6.292   -12.797 1.000 25.295 0 441 HOH A O   1 ? 
HETATM 1681 O  O   . HOH D 4 .   ? -15.085 18.361  19.126  1.000 23.779 0 442 HOH A O   1 ? 
HETATM 1682 O  O   . HOH D 4 .   ? -9.104  27.513  14.955  1.000 13.074 0 443 HOH A O   1 ? 
HETATM 1683 O  O   . HOH D 4 .   ? 2.585   -9.971  1.450   1.000 41.822 0 444 HOH A O   1 ? 
HETATM 1684 O  O   . HOH D 4 .   ? -0.492  10.177  -10.899 1.000 23.549 0 445 HOH A O   1 ? 
HETATM 1685 O  O   . HOH D 4 .   ? -1.475  -6.945  17.198  1.000 21.879 0 446 HOH A O   1 ? 
HETATM 1686 O  O   . HOH D 4 .   ? -4.650  5.066   8.048   1.000 10.450 0 447 HOH A O   1 ? 
HETATM 1687 O  O   . HOH D 4 .   ? -7.712  -5.642  21.175  1.000 24.901 0 448 HOH A O   1 ? 
HETATM 1688 O  O   . HOH D 4 .   ? 4.290   -7.982  2.403   1.000 21.475 0 449 HOH A O   1 ? 
HETATM 1689 O  O   . HOH D 4 .   ? -21.354 10.957  -4.488  1.000 35.345 0 450 HOH A O   1 ? 
HETATM 1690 O  O   . HOH D 4 .   ? -9.344  17.569  21.461  1.000 24.021 0 451 HOH A O   1 ? 
HETATM 1691 O  O   . HOH D 4 .   ? 3.193   17.527  18.035  1.000 27.873 0 452 HOH A O   1 ? 
HETATM 1692 O  O   . HOH D 4 .   ? 2.222   6.905   8.469   1.000 9.077  0 453 HOH A O   1 ? 
HETATM 1693 O  O   . HOH D 4 .   ? -8.065  -5.842  16.476  1.000 19.180 0 454 HOH A O   1 ? 
HETATM 1694 O  O   . HOH D 4 .   ? 3.663   0.686   -11.228 1.000 35.313 0 455 HOH A O   1 ? 
HETATM 1695 O  O   . HOH D 4 .   ? -5.827  20.144  5.759   1.000 30.633 0 456 HOH A O   1 ? 
HETATM 1696 O  O   . HOH D 4 .   ? 3.533   2.865   -0.090  1.000 8.771  0 457 HOH A O   1 ? 
HETATM 1697 O  O   . HOH D 4 .   ? 1.075   -0.480  10.528  1.000 10.495 0 458 HOH A O   1 ? 
HETATM 1698 O  O   . HOH D 4 .   ? 3.082   1.590   27.684  1.000 17.782 0 459 HOH A O   1 ? 
HETATM 1699 O  O   . HOH D 4 .   ? -1.892  16.650  14.522  1.000 14.626 0 460 HOH A O   1 ? 
HETATM 1700 O  O   . HOH D 4 .   ? 9.349   -0.049  -4.155  1.000 12.502 0 461 HOH A O   1 ? 
HETATM 1701 O  O   . HOH D 4 .   ? -20.497 -1.351  11.255  1.000 45.804 0 462 HOH A O   1 ? 
HETATM 1702 O  O   . HOH D 4 .   ? -18.953 13.484  -5.078  1.000 33.532 0 463 HOH A O   1 ? 
HETATM 1703 O  O   . HOH D 4 .   ? -21.204 0.742   13.283  1.000 53.052 0 464 HOH A O   1 ? 
HETATM 1704 O  O   . HOH D 4 .   ? 12.391  5.456   14.540  1.000 14.387 0 465 HOH A O   1 ? 
HETATM 1705 O  O   . HOH D 4 .   ? -19.177 -1.223  1.154   1.000 24.786 0 466 HOH A O   1 ? 
HETATM 1706 O  O   . HOH D 4 .   ? -8.376  -10.212 14.567  1.000 21.729 0 467 HOH A O   1 ? 
HETATM 1707 O  O   . HOH D 4 .   ? -7.427  20.325  9.338   1.000 14.995 0 468 HOH A O   1 ? 
HETATM 1708 O  O   . HOH D 4 .   ? 9.411   7.581   10.672  1.000 8.391  0 469 HOH A O   1 ? 
HETATM 1709 O  O   . HOH D 4 .   ? -12.910 -7.423  8.766   1.000 36.538 0 470 HOH A O   1 ? 
HETATM 1710 O  O   . HOH D 4 .   ? 4.095   8.517   6.911   1.000 8.014  0 471 HOH A O   1 ? 
HETATM 1711 O  O   . HOH D 4 .   ? -9.818  14.041  28.185  1.000 19.632 0 472 HOH A O   1 ? 
HETATM 1712 O  O   . HOH D 4 .   ? -5.232  13.928  -7.508  1.000 34.617 0 473 HOH A O   1 ? 
HETATM 1713 O  O   . HOH D 4 .   ? -17.215 -4.967  3.374   1.000 40.631 0 474 HOH A O   1 ? 
HETATM 1714 O  O   . HOH D 4 .   ? -12.497 -5.503  22.548  1.000 33.344 0 475 HOH A O   1 ? 
HETATM 1715 O  O   . HOH D 4 .   ? -6.931  5.161   25.312  1.000 11.726 0 476 HOH A O   1 ? 
HETATM 1716 O  O   . HOH D 4 .   ? 4.112   7.186   23.278  1.000 14.287 0 477 HOH A O   1 ? 
HETATM 1717 O  O   . HOH D 4 .   ? -8.099  19.340  6.943   1.000 21.501 0 478 HOH A O   1 ? 
HETATM 1718 O  O   . HOH D 4 .   ? 8.326   -0.544  2.840   1.000 9.308  0 479 HOH A O   1 ? 
HETATM 1719 O  O   . HOH D 4 .   ? 10.178  12.036  -2.608  1.000 23.051 0 480 HOH A O   1 ? 
HETATM 1720 O  O   . HOH D 4 .   ? 10.480  -2.267  -3.042  1.000 20.589 0 481 HOH A O   1 ? 
HETATM 1721 O  O   . HOH D 4 .   ? -12.120 -1.742  -5.262  1.000 35.437 0 482 HOH A O   1 ? 
HETATM 1722 O  O   . HOH D 4 .   ? -8.824  9.594   34.114  1.000 26.836 0 483 HOH A O   1 ? 
HETATM 1723 O  O   . HOH D 4 .   ? 1.565   -0.035  -0.295  1.000 14.094 0 484 HOH A O   1 ? 
HETATM 1724 O  O   . HOH D 4 .   ? -8.906  -5.876  -1.069  1.000 22.449 0 485 HOH A O   1 ? 
HETATM 1725 O  O   . HOH D 4 .   ? 4.760   13.425  23.007  1.000 16.964 0 486 HOH A O   1 ? 
HETATM 1726 O  O   . HOH D 4 .   ? 14.832  6.950   -8.316  1.000 15.611 0 487 HOH A O   1 ? 
HETATM 1727 O  O   . HOH D 4 .   ? -4.833  14.704  34.845  1.000 29.622 0 488 HOH A O   1 ? 
HETATM 1728 O  O   . HOH D 4 .   ? -3.285  8.282   -11.702 1.000 19.364 0 489 HOH A O   1 ? 
HETATM 1729 O  O   . HOH D 4 .   ? -8.589  12.258  16.592  1.000 15.289 0 490 HOH A O   1 ? 
HETATM 1730 O  O   . HOH D 4 .   ? 9.753   19.404  11.066  1.000 39.381 0 491 HOH A O   1 ? 
HETATM 1731 O  O   . HOH D 4 .   ? 16.098  6.597   6.206   1.000 24.118 0 492 HOH A O   1 ? 
HETATM 1732 O  O   . HOH D 4 .   ? 0.983   -6.793  -9.610  1.000 30.880 0 493 HOH A O   1 ? 
HETATM 1733 O  O   . HOH D 4 .   ? -10.961 23.852  9.108   1.000 21.880 0 494 HOH A O   1 ? 
HETATM 1734 O  O   . HOH D 4 .   ? 9.617   6.318   -4.796  1.000 10.303 0 495 HOH A O   1 ? 
HETATM 1735 O  O   . HOH D 4 .   ? -2.569  -8.492  -2.165  1.000 26.258 0 496 HOH A O   1 ? 
HETATM 1736 O  O   . HOH D 4 .   ? -1.471  -7.429  13.587  1.000 26.414 0 497 HOH A O   1 ? 
HETATM 1737 O  O   . HOH D 4 .   ? -3.112  1.996   30.517  1.000 23.819 0 498 HOH A O   1 ? 
HETATM 1738 O  O   . HOH D 4 .   ? 1.049   -5.495  9.910   1.000 14.589 0 499 HOH A O   1 ? 
HETATM 1739 O  O   . HOH D 4 .   ? 9.095   13.471  -0.273  1.000 14.883 0 500 HOH A O   1 ? 
HETATM 1740 O  O   . HOH D 4 .   ? 5.970   10.406  -1.399  1.000 8.567  0 501 HOH A O   1 ? 
HETATM 1741 O  O   . HOH D 4 .   ? -9.791  1.651   28.612  1.000 38.298 0 502 HOH A O   1 ? 
HETATM 1742 O  O   . HOH D 4 .   ? -2.624  -5.811  -12.968 1.000 47.559 0 503 HOH A O   1 ? 
HETATM 1743 O  O   . HOH D 4 .   ? -13.446 21.163  10.866  1.000 10.516 0 504 HOH A O   1 ? 
HETATM 1744 O  O   . HOH D 4 .   ? -1.188  -7.751  25.818  1.000 29.263 0 505 HOH A O   1 ? 
HETATM 1745 O  O   . HOH D 4 .   ? -16.307 -3.408  19.957  1.000 21.094 0 506 HOH A O   1 ? 
HETATM 1746 O  O   . HOH D 4 .   ? -12.307 7.783   24.630  1.000 37.361 0 507 HOH A O   1 ? 
HETATM 1747 O  O   . HOH D 4 .   ? 0.119   14.772  30.828  1.000 33.184 0 508 HOH A O   1 ? 
HETATM 1748 O  O   . HOH D 4 .   ? -18.998 10.734  14.938  1.000 29.451 0 509 HOH A O   1 ? 
HETATM 1749 O  O   . HOH D 4 .   ? -0.720  9.961   17.030  1.000 12.364 0 510 HOH A O   1 ? 
HETATM 1750 O  O   . HOH D 4 .   ? 9.838   2.870   26.886  1.000 50.213 0 511 HOH A O   1 ? 
HETATM 1751 O  O   . HOH D 4 .   ? 2.840   14.386  -6.943  1.000 27.368 0 512 HOH A O   1 ? 
HETATM 1752 O  O   . HOH D 4 .   ? -4.841  -8.459  22.898  1.000 45.995 0 513 HOH A O   1 ? 
HETATM 1753 O  O   . HOH D 4 .   ? -17.252 19.113  9.490   1.000 20.078 0 514 HOH A O   1 ? 
HETATM 1754 O  O   . HOH D 4 .   ? 14.458  12.654  4.048   1.000 14.219 0 515 HOH A O   1 ? 
HETATM 1755 O  O   . HOH D 4 .   ? -16.871 2.199   20.560  1.000 33.242 0 516 HOH A O   1 ? 
HETATM 1756 O  O   . HOH D 4 .   ? 15.147  4.120   17.277  1.000 27.681 0 517 HOH A O   1 ? 
HETATM 1757 O  O   . HOH D 4 .   ? 4.639   0.385   1.897   1.000 12.657 0 518 HOH A O   1 ? 
HETATM 1758 O  O   . HOH D 4 .   ? 6.007   -1.756  3.670   1.000 10.582 0 519 HOH A O   1 ? 
HETATM 1759 O  O   . HOH D 4 .   ? 4.844   9.868   23.697  1.000 20.338 0 520 HOH A O   1 ? 
HETATM 1760 O  O   . HOH D 4 .   ? 15.780  10.022  10.089  1.000 29.453 0 521 HOH A O   1 ? 
HETATM 1761 O  O   . HOH D 4 .   ? -18.859 13.826  16.468  1.000 25.994 0 522 HOH A O   1 ? 
HETATM 1762 O  O   . HOH D 4 .   ? -4.916  -8.284  1.880   1.000 23.997 0 523 HOH A O   1 ? 
HETATM 1763 O  O   . HOH D 4 .   ? -6.081  -7.613  7.171   1.000 22.340 0 524 HOH A O   1 ? 
HETATM 1764 O  O   . HOH D 4 .   ? 16.908  2.572   0.621   1.000 29.208 0 525 HOH A O   1 ? 
HETATM 1765 O  O   . HOH D 4 .   ? -10.374 0.489   19.168  1.000 21.057 0 526 HOH A O   1 ? 
HETATM 1766 O  O   . HOH D 4 .   ? -12.276 -4.984  5.659   1.000 21.550 0 527 HOH A O   1 ? 
HETATM 1767 O  O   . HOH D 4 .   ? -9.990  -4.848  -3.538  1.000 24.496 0 528 HOH A O   1 ? 
HETATM 1768 O  O   . HOH D 4 .   ? -7.397  21.961  20.458  1.000 45.589 0 529 HOH A O   1 ? 
HETATM 1769 O  O   . HOH D 4 .   ? -5.597  -6.511  -8.025  1.000 27.056 0 530 HOH A O   1 ? 
HETATM 1770 O  O   . HOH D 4 .   ? -9.642  0.994   -12.347 1.000 19.842 0 531 HOH A O   1 ? 
HETATM 1771 O  O   . HOH D 4 .   ? -10.199 3.275   31.629  1.000 29.007 0 532 HOH A O   1 ? 
HETATM 1772 O  O   . HOH D 4 .   ? -19.537 8.105   11.392  1.000 17.359 0 533 HOH A O   1 ? 
HETATM 1773 O  O   . HOH D 4 .   ? -18.563 14.681  4.121   1.000 15.544 0 534 HOH A O   1 ? 
HETATM 1774 O  O   . HOH D 4 .   ? -1.082  0.633   -10.783 1.000 36.078 0 535 HOH A O   1 ? 
HETATM 1775 O  O   . HOH D 4 .   ? -1.185  -0.702  28.060  1.000 26.156 0 536 HOH A O   1 ? 
HETATM 1776 O  O   . HOH D 4 .   ? 0.082   -5.666  14.588  1.000 29.005 0 537 HOH A O   1 ? 
HETATM 1777 O  O   . HOH D 4 .   ? -17.060 17.490  6.090   1.000 23.496 0 538 HOH A O   1 ? 
HETATM 1778 O  O   . HOH D 4 .   ? 3.285   3.530   29.711  1.000 26.193 0 539 HOH A O   1 ? 
HETATM 1779 O  O   . HOH D 4 .   ? -11.208 11.290  16.186  1.000 12.930 0 540 HOH A O   1 ? 
HETATM 1780 O  O   . HOH D 4 .   ? 15.470  3.170   13.620  1.000 35.930 0 541 HOH A O   1 ? 
HETATM 1781 O  O   . HOH D 4 .   ? -14.314 -0.420  -3.998  1.000 33.889 0 542 HOH A O   1 ? 
HETATM 1782 O  O   . HOH D 4 .   ? -17.550 19.321  16.880  1.000 30.143 0 543 HOH A O   1 ? 
HETATM 1783 O  O   . HOH D 4 .   ? -13.896 -3.025  0.559   1.000 44.261 0 544 HOH A O   1 ? 
HETATM 1784 O  O   . HOH D 4 .   ? -19.697 5.082   11.289  1.000 16.311 0 545 HOH A O   1 ? 
HETATM 1785 O  O   . HOH D 4 .   ? 6.174   16.735  8.716   1.000 33.341 0 546 HOH A O   1 ? 
HETATM 1786 O  O   . HOH D 4 .   ? -17.072 11.901  23.514  1.000 37.165 0 547 HOH A O   1 ? 
HETATM 1787 O  O   . HOH D 4 .   ? 9.994   14.407  27.963  1.000 31.439 0 548 HOH A O   1 ? 
HETATM 1788 O  O   . HOH D 4 .   ? -14.559 -4.456  21.838  1.000 29.155 0 549 HOH A O   1 ? 
HETATM 1789 O  O   . HOH D 4 .   ? 8.477   -1.197  21.435  1.000 29.951 0 550 HOH A O   1 ? 
HETATM 1790 O  O   . HOH D 4 .   ? -4.761  -7.496  -0.552  1.000 18.995 0 551 HOH A O   1 ? 
HETATM 1791 O  O   . HOH D 4 .   ? 16.373  -0.397  12.711  1.000 23.181 0 552 HOH A O   1 ? 
HETATM 1792 O  O   . HOH D 4 .   ? 14.704  -3.364  3.700   1.000 31.284 0 553 HOH A O   1 ? 
HETATM 1793 O  O   . HOH D 4 .   ? -3.666  11.592  -13.087 1.000 37.438 0 554 HOH A O   1 ? 
HETATM 1794 O  O   . HOH D 4 .   ? -8.118  12.332  -14.362 1.000 39.999 0 555 HOH A O   1 ? 
HETATM 1795 O  O   . HOH D 4 .   ? -19.100 7.841   14.246  1.000 38.343 0 556 HOH A O   1 ? 
HETATM 1796 O  O   . HOH D 4 .   ? 16.131  6.570   11.813  1.000 54.107 0 557 HOH A O   1 ? 
HETATM 1797 O  O   . HOH D 4 .   ? 4.672   11.341  -10.491 1.000 25.842 0 558 HOH A O   1 ? 
HETATM 1798 O  O   . HOH D 4 .   ? 0.646   15.363  -6.881  1.000 37.095 0 559 HOH A O   1 ? 
HETATM 1799 O  O   . HOH D 4 .   ? -4.815  21.992  2.238   1.000 36.627 0 560 HOH A O   1 ? 
HETATM 1800 O  O   . HOH D 4 .   ? -4.958  22.265  -0.349  1.000 25.389 0 561 HOH A O   1 ? 
HETATM 1801 O  O   . HOH D 4 .   ? -11.423 14.628  30.767  1.000 29.036 0 562 HOH A O   1 ? 
HETATM 1802 O  O   . HOH D 4 .   ? 0.268   18.405  -6.598  1.000 43.412 0 563 HOH A O   1 ? 
HETATM 1803 O  O   . HOH D 4 .   ? -1.718  -8.169  19.157  1.000 57.322 0 564 HOH A O   1 ? 
HETATM 1804 O  O   . HOH D 4 .   ? 10.616  8.786   -5.817  1.000 17.627 0 565 HOH A O   1 ? 
HETATM 1805 O  O   . HOH D 4 .   ? 12.975  -2.188  -2.127  1.000 28.619 0 566 HOH A O   1 ? 
HETATM 1806 O  O   . HOH D 4 .   ? -7.888  -8.109  24.762  1.000 37.768 0 567 HOH A O   1 ? 
HETATM 1807 O  O   . HOH D 4 .   ? -21.006 12.049  14.712  1.000 38.350 0 568 HOH A O   1 ? 
HETATM 1808 O  O   . HOH D 4 .   ? 16.748  6.076   8.298   1.000 41.345 0 569 HOH A O   1 ? 
HETATM 1809 O  O   . HOH D 4 .   ? -9.615  -7.479  2.978   1.000 34.332 0 570 HOH A O   1 ? 
HETATM 1810 O  O   . HOH D 4 .   ? -5.743  22.252  11.670  1.000 42.753 0 571 HOH A O   1 ? 
HETATM 1811 O  O   . HOH D 4 .   ? -19.349 12.875  18.765  1.000 41.312 0 572 HOH A O   1 ? 
HETATM 1812 O  O   . HOH D 4 .   ? -7.144  -8.481  -1.421  1.000 35.959 0 573 HOH A O   1 ? 
HETATM 1813 O  O   . HOH D 4 .   ? -6.040  21.391  22.562  1.000 30.385 0 574 HOH A O   1 ? 
HETATM 1814 O  O   . HOH D 4 .   ? 2.514   19.736  -7.259  1.000 49.705 0 575 HOH A O   1 ? 
HETATM 1815 O  O   . HOH D 4 .   ? -9.702  11.892  33.819  1.000 41.311 0 576 HOH A O   1 ? 
HETATM 1816 O  O   . HOH D 4 .   ? -1.703  19.086  21.963  1.000 22.787 0 577 HOH A O   1 ? 
HETATM 1817 O  O   . HOH D 4 .   ? 5.379   -0.142  28.345  1.000 45.641 0 578 HOH A O   1 ? 
HETATM 1818 O  O   . HOH D 4 .   ? -6.126  -10.473 6.086   1.000 51.012 0 579 HOH A O   1 ? 
HETATM 1819 O  O   . HOH D 4 .   ? -11.135 -6.537  0.834   1.000 33.812 0 580 HOH A O   1 ? 
HETATM 1820 O  O   . HOH D 4 .   ? -16.051 20.656  20.730  1.000 45.058 0 581 HOH A O   1 ? 
HETATM 1821 O  O   . HOH D 4 .   ? -11.074 8.586   33.558  1.000 35.057 0 582 HOH A O   1 ? 
HETATM 1822 O  O   . HOH D 4 .   ? 16.866  7.682   10.045  1.000 49.446 0 583 HOH A O   1 ? 
HETATM 1823 O  O   . HOH D 4 .   ? -5.411  19.294  20.711  1.000 35.663 0 584 HOH A O   1 ? 
HETATM 1824 O  O   . HOH D 4 .   ? -9.081  20.097  22.256  1.000 26.946 0 585 HOH A O   1 ? 
HETATM 1825 O  O   . HOH D 4 .   ? 1.983   -0.814  -11.963 1.000 43.781 0 586 HOH A O   1 ? 
HETATM 1826 O  O   . HOH D 4 .   ? 16.808  0.190   4.775   1.000 25.469 0 587 HOH A O   1 ? 
HETATM 1827 O  O   . HOH D 4 .   ? 1.228   0.046   28.747  1.000 26.931 0 588 HOH A O   1 ? 
HETATM 1828 O  O   . HOH D 4 .   ? 18.330  2.276   3.134   1.000 32.521 0 589 HOH A O   1 ? 
HETATM 1829 O  O   . HOH D 4 .   ? 2.489   2.764   32.145  1.000 40.216 0 590 HOH A O   1 ? 
HETATM 1830 O  O   . HOH D 4 .   ? -4.827  -6.432  -14.638 1.000 49.291 0 591 HOH A O   1 ? 
HETATM 1831 O  O   . HOH D 4 .   ? 0.800   16.919  -9.723  1.000 31.757 0 592 HOH A O   1 ? 
HETATM 1832 O  O   . HOH D 4 .   ? -22.597 10.754  16.851  1.000 50.972 0 593 HOH A O   1 ? 
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