data_9NBJ
# 
_entry.id   9NBJ 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_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   9NBJ         pdb_00009nbj 10.2210/pdb9nbj/pdb 
WWPDB D_1000292984 ?            ?                   
# 
_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       2025-03-26 
_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                        9NBJ 
_pdbx_database_status.recvd_initial_deposition_date   2025-02-13 
_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 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB 'SSX structure of same protein complexed with a different ligand' 9NBF unspecified 
PDB 'SSX structure of same protein complexed with a different ligand' 9NB4 unspecified 
PDB 'SSX structure of same protein complexed with a different ligand' 9NB7 unspecified 
PDB 'MicroED structure of same protein in apo-form'                   9NAG unspecified 
PDB 'MicroED structure of same protein co-crystallized with E-64C'    9N9D unspecified 
# 
_pdbx_contact_author.id                 3 
_pdbx_contact_author.email              jrodriguez@mbi.ucla.edu 
_pdbx_contact_author.name_first         Jose 
_pdbx_contact_author.name_last          Rodriguez 
_pdbx_contact_author.name_mi            A 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-0248-4964 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Vlahakis, N.W.'  1 0000-0002-5092-0265 
'Summers, J.A.'   2 ?                   
'Wakatsuki, S.'   3 ?                   
'Rodriguez, J.A.' 4 0000-0002-0248-4964 
# 
_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                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Biorxiv 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2692-8205 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1101/2025.02.20.638743 
_citation.pdbx_database_id_PubMed   40060639 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Vlahakis, N.W.'  1  0000-0002-5092-0265 
primary 'Flowers, C.W.'   2  ?                   
primary 'Liu, M.'         3  ?                   
primary 'Agdanowski, M.'  4  ?                   
primary 'Johnson, S.'     5  ?                   
primary 'Summers, J.A.'   6  ?                   
primary 'Keyser, C.'      7  ?                   
primary 'Russell, P.'     8  ?                   
primary 'Rose, S.'        9  ?                   
primary 'Orlans, J.'      10 ?                   
primary 'Adhami, N.'      11 ?                   
primary 'Chen, Y.'        12 ?                   
primary 'Sawaya, M.R.'    13 ?                   
primary 'Basu, S.'        14 ?                   
primary 'de Sanctis, D.'  15 ?                   
primary 'Wakatsuki, S.'   16 ?                   
primary 'Nelson, H.M.'    17 ?                   
primary 'Loo, J.A.'       18 ?                   
primary 'Tang, Y.'        19 ?                   
primary 'Rodriguez, J.A.' 20 0000-0002-0248-4964 
# 
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     nat Papain                                                          23452.301 1   3.4.22.2 ? ? ? 
2 non-polymer syn 'N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE' 316.393   1   ?        ? ? ? 
3 water       nat water                                                           18.015    102 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Papaya proteinase I,PPI' 
# 
_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       
;IPEYVDWRQKGAVTPVKNQGSCGSCWAFSAVVTIEGIIKIRTGNLNEYSEQELLDCDRRSYGCNGGYPWSALQLVAQYGI
HYRNTYPYEGVQRYCRSREKGPYAAKTDGVRQVQPYNEGALLYSIANQPVSVVLEAAGKDFQLYRGGIFVGPCGNKVDHA
VAAVGYGPNYILIKNSWGTGWGENGYIRIKRGTGNSYGVCGLYTSSFYPVKN
;
_entity_poly.pdbx_seq_one_letter_code_can   
;IPEYVDWRQKGAVTPVKNQGSCGSCWAFSAVVTIEGIIKIRTGNLNEYSEQELLDCDRRSYGCNGGYPWSALQLVAQYGI
HYRNTYPYEGVQRYCRSREKGPYAAKTDGVRQVQPYNEGALLYSIANQPVSVVLEAAGKDFQLYRGGIFVGPCGNKVDHA
VAAVGYGPNYILIKNSWGTGWGENGYIRIKRGTGNSYGVCGLYTSSFYPVKN
;
_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 'N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE' E6C 
3 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   PRO n 
1 3   GLU n 
1 4   TYR n 
1 5   VAL n 
1 6   ASP n 
1 7   TRP n 
1 8   ARG n 
1 9   GLN n 
1 10  LYS n 
1 11  GLY n 
1 12  ALA n 
1 13  VAL n 
1 14  THR n 
1 15  PRO n 
1 16  VAL n 
1 17  LYS n 
1 18  ASN n 
1 19  GLN n 
1 20  GLY n 
1 21  SER n 
1 22  CYS n 
1 23  GLY n 
1 24  SER n 
1 25  CYS n 
1 26  TRP n 
1 27  ALA n 
1 28  PHE n 
1 29  SER n 
1 30  ALA n 
1 31  VAL n 
1 32  VAL n 
1 33  THR n 
1 34  ILE n 
1 35  GLU n 
1 36  GLY n 
1 37  ILE n 
1 38  ILE n 
1 39  LYS n 
1 40  ILE n 
1 41  ARG n 
1 42  THR n 
1 43  GLY n 
1 44  ASN n 
1 45  LEU n 
1 46  ASN n 
1 47  GLU n 
1 48  TYR n 
1 49  SER n 
1 50  GLU n 
1 51  GLN n 
1 52  GLU n 
1 53  LEU n 
1 54  LEU n 
1 55  ASP n 
1 56  CYS n 
1 57  ASP n 
1 58  ARG n 
1 59  ARG n 
1 60  SER n 
1 61  TYR n 
1 62  GLY n 
1 63  CYS n 
1 64  ASN n 
1 65  GLY n 
1 66  GLY n 
1 67  TYR n 
1 68  PRO n 
1 69  TRP n 
1 70  SER n 
1 71  ALA n 
1 72  LEU n 
1 73  GLN n 
1 74  LEU n 
1 75  VAL n 
1 76  ALA n 
1 77  GLN n 
1 78  TYR n 
1 79  GLY n 
1 80  ILE n 
1 81  HIS n 
1 82  TYR n 
1 83  ARG n 
1 84  ASN n 
1 85  THR n 
1 86  TYR n 
1 87  PRO n 
1 88  TYR n 
1 89  GLU n 
1 90  GLY n 
1 91  VAL n 
1 92  GLN n 
1 93  ARG n 
1 94  TYR n 
1 95  CYS n 
1 96  ARG n 
1 97  SER n 
1 98  ARG n 
1 99  GLU n 
1 100 LYS n 
1 101 GLY n 
1 102 PRO n 
1 103 TYR n 
1 104 ALA n 
1 105 ALA n 
1 106 LYS n 
1 107 THR n 
1 108 ASP n 
1 109 GLY n 
1 110 VAL n 
1 111 ARG n 
1 112 GLN n 
1 113 VAL n 
1 114 GLN n 
1 115 PRO n 
1 116 TYR n 
1 117 ASN n 
1 118 GLU n 
1 119 GLY n 
1 120 ALA n 
1 121 LEU n 
1 122 LEU n 
1 123 TYR n 
1 124 SER n 
1 125 ILE n 
1 126 ALA n 
1 127 ASN n 
1 128 GLN n 
1 129 PRO n 
1 130 VAL n 
1 131 SER n 
1 132 VAL n 
1 133 VAL n 
1 134 LEU n 
1 135 GLU n 
1 136 ALA n 
1 137 ALA n 
1 138 GLY n 
1 139 LYS n 
1 140 ASP n 
1 141 PHE n 
1 142 GLN n 
1 143 LEU n 
1 144 TYR n 
1 145 ARG n 
1 146 GLY n 
1 147 GLY n 
1 148 ILE n 
1 149 PHE n 
1 150 VAL n 
1 151 GLY n 
1 152 PRO n 
1 153 CYS n 
1 154 GLY n 
1 155 ASN n 
1 156 LYS n 
1 157 VAL n 
1 158 ASP n 
1 159 HIS n 
1 160 ALA n 
1 161 VAL n 
1 162 ALA n 
1 163 ALA n 
1 164 VAL n 
1 165 GLY n 
1 166 TYR n 
1 167 GLY n 
1 168 PRO n 
1 169 ASN n 
1 170 TYR n 
1 171 ILE n 
1 172 LEU n 
1 173 ILE n 
1 174 LYS n 
1 175 ASN n 
1 176 SER n 
1 177 TRP n 
1 178 GLY n 
1 179 THR n 
1 180 GLY n 
1 181 TRP n 
1 182 GLY n 
1 183 GLU n 
1 184 ASN n 
1 185 GLY n 
1 186 TYR n 
1 187 ILE n 
1 188 ARG n 
1 189 ILE n 
1 190 LYS n 
1 191 ARG n 
1 192 GLY n 
1 193 THR n 
1 194 GLY n 
1 195 ASN n 
1 196 SER n 
1 197 TYR n 
1 198 GLY n 
1 199 VAL n 
1 200 CYS n 
1 201 GLY n 
1 202 LEU n 
1 203 TYR n 
1 204 THR n 
1 205 SER n 
1 206 SER n 
1 207 PHE n 
1 208 TYR n 
1 209 PRO n 
1 210 VAL n 
1 211 LYS n 
1 212 ASN n 
# 
_entity_src_nat.entity_id                  1 
_entity_src_nat.pdbx_src_id                1 
_entity_src_nat.pdbx_alt_source_flag       sample 
_entity_src_nat.pdbx_beg_seq_num           1 
_entity_src_nat.pdbx_end_seq_num           212 
_entity_src_nat.common_name                papaya 
_entity_src_nat.pdbx_organism_scientific   'Carica papaya' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      3649 
_entity_src_nat.genus                      ? 
_entity_src_nat.species                    ? 
_entity_src_nat.strain                     ? 
_entity_src_nat.tissue                     ? 
_entity_src_nat.tissue_fraction            ? 
_entity_src_nat.pdbx_secretion             ? 
_entity_src_nat.pdbx_fragment              ? 
_entity_src_nat.pdbx_variant               ? 
_entity_src_nat.pdbx_cell_line             ? 
_entity_src_nat.pdbx_atcc                  ? 
_entity_src_nat.pdbx_cellular_location     ? 
_entity_src_nat.pdbx_organ                 ? 
_entity_src_nat.pdbx_organelle             ? 
_entity_src_nat.pdbx_cell                  ? 
_entity_src_nat.pdbx_plasmid_name          ? 
_entity_src_nat.pdbx_plasmid_details       ? 
_entity_src_nat.details                    ? 
# 
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 
CYS 'L-peptide linking' y CYSTEINE                                                        ? 'C3 H7 N O2 S'   121.158 
E6C non-polymer         . 'N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE' ? 'C15 H28 N2 O5'  316.393 
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 
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   PRO 2   2   2   PRO PRO A . n 
A 1 3   GLU 3   3   3   GLU GLU A . n 
A 1 4   TYR 4   4   4   TYR TYR A . n 
A 1 5   VAL 5   5   5   VAL VAL A . n 
A 1 6   ASP 6   6   6   ASP ASP A . n 
A 1 7   TRP 7   7   7   TRP TRP A . n 
A 1 8   ARG 8   8   8   ARG ARG A . n 
A 1 9   GLN 9   9   9   GLN GLN A . n 
A 1 10  LYS 10  10  10  LYS LYS A . n 
A 1 11  GLY 11  11  11  GLY GLY A . n 
A 1 12  ALA 12  12  12  ALA ALA A . n 
A 1 13  VAL 13  13  13  VAL VAL A . n 
A 1 14  THR 14  14  14  THR THR A . n 
A 1 15  PRO 15  15  15  PRO PRO A . n 
A 1 16  VAL 16  16  16  VAL VAL A . n 
A 1 17  LYS 17  17  17  LYS LYS A . n 
A 1 18  ASN 18  18  18  ASN ASN A . n 
A 1 19  GLN 19  19  19  GLN GLN A . n 
A 1 20  GLY 20  20  20  GLY GLY A . n 
A 1 21  SER 21  21  21  SER SER A . n 
A 1 22  CYS 22  22  22  CYS CYS A . n 
A 1 23  GLY 23  23  23  GLY GLY A . n 
A 1 24  SER 24  24  24  SER SER A . n 
A 1 25  CYS 25  25  25  CYS CYS A . n 
A 1 26  TRP 26  26  26  TRP TRP A . n 
A 1 27  ALA 27  27  27  ALA ALA A . n 
A 1 28  PHE 28  28  28  PHE PHE A . n 
A 1 29  SER 29  29  29  SER SER A . n 
A 1 30  ALA 30  30  30  ALA ALA A . n 
A 1 31  VAL 31  31  31  VAL VAL A . n 
A 1 32  VAL 32  32  32  VAL VAL A . n 
A 1 33  THR 33  33  33  THR THR A . n 
A 1 34  ILE 34  34  34  ILE ILE A . n 
A 1 35  GLU 35  35  35  GLU GLU A . n 
A 1 36  GLY 36  36  36  GLY GLY A . n 
A 1 37  ILE 37  37  37  ILE ILE A . n 
A 1 38  ILE 38  38  38  ILE ILE A . n 
A 1 39  LYS 39  39  39  LYS LYS A . n 
A 1 40  ILE 40  40  40  ILE ILE A . n 
A 1 41  ARG 41  41  41  ARG ARG A . n 
A 1 42  THR 42  42  42  THR THR A . n 
A 1 43  GLY 43  43  43  GLY GLY A . n 
A 1 44  ASN 44  44  44  ASN ASN A . n 
A 1 45  LEU 45  45  45  LEU LEU A . n 
A 1 46  ASN 46  46  46  ASN ASN A . n 
A 1 47  GLU 47  47  47  GLU GLU A . n 
A 1 48  TYR 48  48  48  TYR TYR A . n 
A 1 49  SER 49  49  49  SER SER A . n 
A 1 50  GLU 50  50  50  GLU GLU A . n 
A 1 51  GLN 51  51  51  GLN GLN A . n 
A 1 52  GLU 52  52  52  GLU GLU A . n 
A 1 53  LEU 53  53  53  LEU LEU A . n 
A 1 54  LEU 54  54  54  LEU LEU A . n 
A 1 55  ASP 55  55  55  ASP ASP A . n 
A 1 56  CYS 56  56  56  CYS CYS A . n 
A 1 57  ASP 57  57  57  ASP ASP A . n 
A 1 58  ARG 58  58  58  ARG ARG A . n 
A 1 59  ARG 59  59  59  ARG ARG A . n 
A 1 60  SER 60  60  60  SER SER A . n 
A 1 61  TYR 61  61  61  TYR TYR A . n 
A 1 62  GLY 62  62  62  GLY GLY A . n 
A 1 63  CYS 63  63  63  CYS CYS A . n 
A 1 64  ASN 64  64  64  ASN ASN A . n 
A 1 65  GLY 65  65  65  GLY GLY A . n 
A 1 66  GLY 66  66  66  GLY GLY A . n 
A 1 67  TYR 67  67  67  TYR TYR A . n 
A 1 68  PRO 68  68  68  PRO PRO A . n 
A 1 69  TRP 69  69  69  TRP TRP A . n 
A 1 70  SER 70  70  70  SER SER A . n 
A 1 71  ALA 71  71  71  ALA ALA A . n 
A 1 72  LEU 72  72  72  LEU LEU A . n 
A 1 73  GLN 73  73  73  GLN GLN A . n 
A 1 74  LEU 74  74  74  LEU LEU A . n 
A 1 75  VAL 75  75  75  VAL VAL A . n 
A 1 76  ALA 76  76  76  ALA ALA A . n 
A 1 77  GLN 77  77  77  GLN GLN A . n 
A 1 78  TYR 78  78  78  TYR TYR A . n 
A 1 79  GLY 79  79  79  GLY GLY A . n 
A 1 80  ILE 80  80  80  ILE ILE A . n 
A 1 81  HIS 81  81  81  HIS HIS A . n 
A 1 82  TYR 82  82  82  TYR TYR A . n 
A 1 83  ARG 83  83  83  ARG ARG A . n 
A 1 84  ASN 84  84  84  ASN ASN A . n 
A 1 85  THR 85  85  85  THR THR A . n 
A 1 86  TYR 86  86  86  TYR TYR A . n 
A 1 87  PRO 87  87  87  PRO PRO A . n 
A 1 88  TYR 88  88  88  TYR TYR A . n 
A 1 89  GLU 89  89  89  GLU GLU A . n 
A 1 90  GLY 90  90  90  GLY GLY A . n 
A 1 91  VAL 91  91  91  VAL VAL A . n 
A 1 92  GLN 92  92  92  GLN GLN A . n 
A 1 93  ARG 93  93  93  ARG ARG A . n 
A 1 94  TYR 94  94  94  TYR TYR A . n 
A 1 95  CYS 95  95  95  CYS CYS A . n 
A 1 96  ARG 96  96  96  ARG ARG A . n 
A 1 97  SER 97  97  97  SER SER A . n 
A 1 98  ARG 98  98  98  ARG ARG A . n 
A 1 99  GLU 99  99  99  GLU GLU A . n 
A 1 100 LYS 100 100 100 LYS LYS A . n 
A 1 101 GLY 101 101 101 GLY GLY A . n 
A 1 102 PRO 102 102 102 PRO PRO A . n 
A 1 103 TYR 103 103 103 TYR TYR A . n 
A 1 104 ALA 104 104 104 ALA ALA A . n 
A 1 105 ALA 105 105 105 ALA ALA A . n 
A 1 106 LYS 106 106 106 LYS LYS A . n 
A 1 107 THR 107 107 107 THR THR A . n 
A 1 108 ASP 108 108 108 ASP ASP A . n 
A 1 109 GLY 109 109 109 GLY GLY A . n 
A 1 110 VAL 110 110 110 VAL VAL A . n 
A 1 111 ARG 111 111 111 ARG ARG A . n 
A 1 112 GLN 112 112 112 GLN GLN A . n 
A 1 113 VAL 113 113 113 VAL VAL A . n 
A 1 114 GLN 114 114 114 GLN GLN A . n 
A 1 115 PRO 115 115 115 PRO PRO A . n 
A 1 116 TYR 116 116 116 TYR TYR A . n 
A 1 117 ASN 117 117 117 ASN ASN A . n 
A 1 118 GLU 118 118 118 GLU GLU A . n 
A 1 119 GLY 119 119 119 GLY GLY A . n 
A 1 120 ALA 120 120 120 ALA ALA A . n 
A 1 121 LEU 121 121 121 LEU LEU A . n 
A 1 122 LEU 122 122 122 LEU LEU A . n 
A 1 123 TYR 123 123 123 TYR TYR A . n 
A 1 124 SER 124 124 124 SER SER A . n 
A 1 125 ILE 125 125 125 ILE ILE A . n 
A 1 126 ALA 126 126 126 ALA ALA A . n 
A 1 127 ASN 127 127 127 ASN ASN A . n 
A 1 128 GLN 128 128 128 GLN GLN A . n 
A 1 129 PRO 129 129 129 PRO PRO A . n 
A 1 130 VAL 130 130 130 VAL VAL A . n 
A 1 131 SER 131 131 131 SER SER A . n 
A 1 132 VAL 132 132 132 VAL VAL A . n 
A 1 133 VAL 133 133 133 VAL VAL A . n 
A 1 134 LEU 134 134 134 LEU LEU A . n 
A 1 135 GLU 135 135 135 GLU GLU A . n 
A 1 136 ALA 136 136 136 ALA ALA A . n 
A 1 137 ALA 137 137 137 ALA ALA A . n 
A 1 138 GLY 138 138 138 GLY GLY A . n 
A 1 139 LYS 139 139 139 LYS LYS A . n 
A 1 140 ASP 140 140 140 ASP ASP A . n 
A 1 141 PHE 141 141 141 PHE PHE A . n 
A 1 142 GLN 142 142 142 GLN GLN A . n 
A 1 143 LEU 143 143 143 LEU LEU A . n 
A 1 144 TYR 144 144 144 TYR TYR A . n 
A 1 145 ARG 145 145 145 ARG ARG A . n 
A 1 146 GLY 146 146 146 GLY GLY A . n 
A 1 147 GLY 147 147 147 GLY GLY A . n 
A 1 148 ILE 148 148 148 ILE ILE A . n 
A 1 149 PHE 149 149 149 PHE PHE A . n 
A 1 150 VAL 150 150 150 VAL VAL A . n 
A 1 151 GLY 151 151 151 GLY GLY A . n 
A 1 152 PRO 152 152 152 PRO PRO A . n 
A 1 153 CYS 153 153 153 CYS CYS A . n 
A 1 154 GLY 154 154 154 GLY GLY A . n 
A 1 155 ASN 155 155 155 ASN ASN A . n 
A 1 156 LYS 156 156 156 LYS LYS A . n 
A 1 157 VAL 157 157 157 VAL VAL A . n 
A 1 158 ASP 158 158 158 ASP ASP A . n 
A 1 159 HIS 159 159 159 HIS HIS A . n 
A 1 160 ALA 160 160 160 ALA ALA A . n 
A 1 161 VAL 161 161 161 VAL VAL A . n 
A 1 162 ALA 162 162 162 ALA ALA A . n 
A 1 163 ALA 163 163 163 ALA ALA A . n 
A 1 164 VAL 164 164 164 VAL VAL A . n 
A 1 165 GLY 165 165 165 GLY GLY A . n 
A 1 166 TYR 166 166 166 TYR TYR A . n 
A 1 167 GLY 167 167 167 GLY GLY A . n 
A 1 168 PRO 168 168 168 PRO PRO A . n 
A 1 169 ASN 169 169 169 ASN ASN A . n 
A 1 170 TYR 170 170 170 TYR TYR A . n 
A 1 171 ILE 171 171 171 ILE ILE A . n 
A 1 172 LEU 172 172 172 LEU LEU A . n 
A 1 173 ILE 173 173 173 ILE ILE A . n 
A 1 174 LYS 174 174 174 LYS LYS A . n 
A 1 175 ASN 175 175 175 ASN ASN A . n 
A 1 176 SER 176 176 176 SER SER A . n 
A 1 177 TRP 177 177 177 TRP TRP A . n 
A 1 178 GLY 178 178 178 GLY GLY A . n 
A 1 179 THR 179 179 179 THR THR A . n 
A 1 180 GLY 180 180 180 GLY GLY A . n 
A 1 181 TRP 181 181 181 TRP TRP A . n 
A 1 182 GLY 182 182 182 GLY GLY A . n 
A 1 183 GLU 183 183 183 GLU GLU A . n 
A 1 184 ASN 184 184 184 ASN ASN A . n 
A 1 185 GLY 185 185 185 GLY GLY A . n 
A 1 186 TYR 186 186 186 TYR TYR A . n 
A 1 187 ILE 187 187 187 ILE ILE A . n 
A 1 188 ARG 188 188 188 ARG ARG A . n 
A 1 189 ILE 189 189 189 ILE ILE A . n 
A 1 190 LYS 190 190 190 LYS LYS A . n 
A 1 191 ARG 191 191 191 ARG ARG A . n 
A 1 192 GLY 192 192 192 GLY GLY A . n 
A 1 193 THR 193 193 193 THR THR A . n 
A 1 194 GLY 194 194 194 GLY GLY A . n 
A 1 195 ASN 195 195 195 ASN ASN A . n 
A 1 196 SER 196 196 196 SER SER A . n 
A 1 197 TYR 197 197 197 TYR TYR A . n 
A 1 198 GLY 198 198 198 GLY GLY A . n 
A 1 199 VAL 199 199 199 VAL VAL A . n 
A 1 200 CYS 200 200 200 CYS CYS A . n 
A 1 201 GLY 201 201 201 GLY GLY A . n 
A 1 202 LEU 202 202 202 LEU LEU A . n 
A 1 203 TYR 203 203 203 TYR TYR A . n 
A 1 204 THR 204 204 204 THR THR A . n 
A 1 205 SER 205 205 205 SER SER A . n 
A 1 206 SER 206 206 206 SER SER A . n 
A 1 207 PHE 207 207 207 PHE PHE A . n 
A 1 208 TYR 208 208 208 TYR TYR A . n 
A 1 209 PRO 209 209 209 PRO PRO A . n 
A 1 210 VAL 210 210 210 VAL VAL A . n 
A 1 211 LYS 211 211 211 LYS LYS A . n 
A 1 212 ASN 212 212 212 ASN ASN A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        E6C 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   E6C 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
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 E6C 1   301 301 E6C E6C A . 
C 3 HOH 1   401 102 HOH HOH A . 
C 3 HOH 2   402 53  HOH HOH A . 
C 3 HOH 3   403 69  HOH HOH A . 
C 3 HOH 4   404 22  HOH HOH A . 
C 3 HOH 5   405 15  HOH HOH A . 
C 3 HOH 6   406 86  HOH HOH A . 
C 3 HOH 7   407 76  HOH HOH A . 
C 3 HOH 8   408 63  HOH HOH A . 
C 3 HOH 9   409 60  HOH HOH A . 
C 3 HOH 10  410 73  HOH HOH A . 
C 3 HOH 11  411 83  HOH HOH A . 
C 3 HOH 12  412 98  HOH HOH A . 
C 3 HOH 13  413 37  HOH HOH A . 
C 3 HOH 14  414 3   HOH HOH A . 
C 3 HOH 15  415 4   HOH HOH A . 
C 3 HOH 16  416 40  HOH HOH A . 
C 3 HOH 17  417 34  HOH HOH A . 
C 3 HOH 18  418 19  HOH HOH A . 
C 3 HOH 19  419 31  HOH HOH A . 
C 3 HOH 20  420 94  HOH HOH A . 
C 3 HOH 21  421 65  HOH HOH A . 
C 3 HOH 22  422 80  HOH HOH A . 
C 3 HOH 23  423 96  HOH HOH A . 
C 3 HOH 24  424 70  HOH HOH A . 
C 3 HOH 25  425 79  HOH HOH A . 
C 3 HOH 26  426 47  HOH HOH A . 
C 3 HOH 27  427 14  HOH HOH A . 
C 3 HOH 28  428 49  HOH HOH A . 
C 3 HOH 29  429 11  HOH HOH A . 
C 3 HOH 30  430 20  HOH HOH A . 
C 3 HOH 31  431 23  HOH HOH A . 
C 3 HOH 32  432 10  HOH HOH A . 
C 3 HOH 33  433 2   HOH HOH A . 
C 3 HOH 34  434 24  HOH HOH A . 
C 3 HOH 35  435 41  HOH HOH A . 
C 3 HOH 36  436 59  HOH HOH A . 
C 3 HOH 37  437 7   HOH HOH A . 
C 3 HOH 38  438 106 HOH HOH A . 
C 3 HOH 39  439 93  HOH HOH A . 
C 3 HOH 40  440 38  HOH HOH A . 
C 3 HOH 41  441 36  HOH HOH A . 
C 3 HOH 42  442 16  HOH HOH A . 
C 3 HOH 43  443 52  HOH HOH A . 
C 3 HOH 44  444 99  HOH HOH A . 
C 3 HOH 45  445 104 HOH HOH A . 
C 3 HOH 46  446 8   HOH HOH A . 
C 3 HOH 47  447 55  HOH HOH A . 
C 3 HOH 48  448 84  HOH HOH A . 
C 3 HOH 49  449 90  HOH HOH A . 
C 3 HOH 50  450 51  HOH HOH A . 
C 3 HOH 51  451 64  HOH HOH A . 
C 3 HOH 52  452 74  HOH HOH A . 
C 3 HOH 53  453 27  HOH HOH A . 
C 3 HOH 54  454 85  HOH HOH A . 
C 3 HOH 55  455 72  HOH HOH A . 
C 3 HOH 56  456 54  HOH HOH A . 
C 3 HOH 57  457 101 HOH HOH A . 
C 3 HOH 58  458 56  HOH HOH A . 
C 3 HOH 59  459 33  HOH HOH A . 
C 3 HOH 60  460 39  HOH HOH A . 
C 3 HOH 61  461 88  HOH HOH A . 
C 3 HOH 62  462 61  HOH HOH A . 
C 3 HOH 63  463 12  HOH HOH A . 
C 3 HOH 64  464 13  HOH HOH A . 
C 3 HOH 65  465 42  HOH HOH A . 
C 3 HOH 66  466 1   HOH HOH A . 
C 3 HOH 67  467 18  HOH HOH A . 
C 3 HOH 68  468 25  HOH HOH A . 
C 3 HOH 69  469 32  HOH HOH A . 
C 3 HOH 70  470 21  HOH HOH A . 
C 3 HOH 71  471 78  HOH HOH A . 
C 3 HOH 72  472 58  HOH HOH A . 
C 3 HOH 73  473 28  HOH HOH A . 
C 3 HOH 74  474 68  HOH HOH A . 
C 3 HOH 75  475 44  HOH HOH A . 
C 3 HOH 76  476 43  HOH HOH A . 
C 3 HOH 77  477 9   HOH HOH A . 
C 3 HOH 78  478 97  HOH HOH A . 
C 3 HOH 79  479 50  HOH HOH A . 
C 3 HOH 80  480 17  HOH HOH A . 
C 3 HOH 81  481 57  HOH HOH A . 
C 3 HOH 82  482 89  HOH HOH A . 
C 3 HOH 83  483 87  HOH HOH A . 
C 3 HOH 84  484 46  HOH HOH A . 
C 3 HOH 85  485 67  HOH HOH A . 
C 3 HOH 86  486 77  HOH HOH A . 
C 3 HOH 87  487 26  HOH HOH A . 
C 3 HOH 88  488 35  HOH HOH A . 
C 3 HOH 89  489 95  HOH HOH A . 
C 3 HOH 90  490 100 HOH HOH A . 
C 3 HOH 91  491 29  HOH HOH A . 
C 3 HOH 92  492 62  HOH HOH A . 
C 3 HOH 93  493 103 HOH HOH A . 
C 3 HOH 94  494 66  HOH HOH A . 
C 3 HOH 95  495 71  HOH HOH A . 
C 3 HOH 96  496 82  HOH HOH A . 
C 3 HOH 97  497 81  HOH HOH A . 
C 3 HOH 98  498 75  HOH HOH A . 
C 3 HOH 99  499 45  HOH HOH A . 
C 3 HOH 100 500 30  HOH HOH A . 
C 3 HOH 101 501 107 HOH HOH A . 
C 3 HOH 102 502 92  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       ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? 1.20.1_4487 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? .           2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .           4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9NBJ 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     42.500 
_cell.length_a_esd                 ? 
_cell.length_b                     48.900 
_cell.length_b_esd                 ? 
_cell.length_c                     101.500 
_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                         9NBJ 
_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                   9NBJ 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.25 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          45.30 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '889 mM NaCl, 58% methanol in reservoir. 66% methanol in sitting drop.' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     298 
_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   Y 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'PSI JUNGFRAU 4M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-11-05 
_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   1.072 
_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                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE ID29' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.072 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID29 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9NBJ 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.80 
_reflns.d_resolution_low                               44.05 
_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                                     37928 
_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                           100 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                262.64 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          4.3 
_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                                   0.932 
_reflns.pdbx_CC_star                                   0.982 
_reflns.pdbx_R_split                                   0.213 
_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                                    1.80 
_reflns_shell.d_res_low                                     1.83 
_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                             1877 
_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                               186.19 
_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                                  0.411 
_reflns_shell.pdbx_CC_star                                  0.763 
_reflns_shell.pdbx_R_split                                  0.865 
_reflns_shell.percent_possible_all                          100 
_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]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_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                                 9NBJ 
_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                            1.80 
_refine.ls_d_res_low                             44.05 
_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                     20279 
_refine.ls_number_reflns_R_free                  1014 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.96 
_refine.ls_percent_reflns_R_free                 5.00 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1720 
_refine.ls_R_factor_R_free                       0.2100 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1700 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.correlation_coeff_I_to_Fcsqd_work        ? 
_refine.correlation_coeff_I_to_Fcsqd_free        ? 
_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                          1.34 
_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       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_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                 20.52 
_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                             ? 
_refine.overall_SU_ML                            0.16 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.80 
_refine_hist.d_res_low                        44.05 
_refine_hist.number_atoms_solvent             102 
_refine_hist.number_atoms_total               1779 
_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        1655 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         22 
_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' ? 0.007 ? 1769 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.958 ? 2411 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 7.702 ? 259  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.060 ? 241  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.009 ? 320  ? f_plane_restr      ? ? 
# 
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.correlation_coeff_Fo_to_Fc 
_refine_ls_shell.correlation_coeff_Fo_to_Fc_free 
_refine_ls_shell.correlation_coeff_I_to_Fcsqd_work 
_refine_ls_shell.correlation_coeff_I_to_Fcsqd_free 
_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' 1.80 1.89  . . 141 2694 100.00 . . . . 0.2424 . . . . . . . . . . . . . . . 0.2805 
'X-RAY DIFFRACTION' 1.90 2.01  . . 143 2715 100.00 . . . . 0.2218 . . . . . . . . . . . . . . . 0.2722 
'X-RAY DIFFRACTION' 2.01 2.17  . . 142 2696 100.00 . . . . 0.1844 . . . . . . . . . . . . . . . 0.2481 
'X-RAY DIFFRACTION' 2.17 2.39  . . 144 2733 100.00 . . . . 0.1745 . . . . . . . . . . . . . . . 0.2123 
'X-RAY DIFFRACTION' 2.39 2.73  . . 144 2743 100.00 . . . . 0.1810 . . . . . . . . . . . . . . . 0.2220 
'X-RAY DIFFRACTION' 2.73 3.44  . . 146 2775 100.00 . . . . 0.1671 . . . . . . . . . . . . . . . 0.1935 
'X-RAY DIFFRACTION' 3.44 44.05 . . 154 2909 100.00 . . . . 0.1505 . . . . . . . . . . . . . . . 0.1922 
# 
_struct.entry_id                     9NBJ 
_struct.title                        'Serial synchrotron X-ray diffraction structure of papain microcrystals soaked with E-64C' 
_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        9NBJ 
_struct_keywords.text            'Inhibitor, Complex, Enzyme, Serial, 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 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    PAPA1_CARPA 
_struct_ref.pdbx_db_accession          P00784 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;IPEYVDWRQKGAVTPVKNQGSCGSCWAFSAVVTIEGIIKIRTGNLNEYSEQELLDCDRRSYGCNGGYPWSALQLVAQYGI
HYRNTYPYEGVQRYCRSREKGPYAAKTDGVRQVQPYNEGALLYSIANQPVSVVLEAAGKDFQLYRGGIFVGPCGNKVDHA
VAAVGYGPNYILIKNSWGTGWGENGYIRIKRGTGNSYGVCGLYTSSFYPVKN
;
_struct_ref.pdbx_align_begin           134 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9NBJ 
_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                 212 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00784 
_struct_ref_seq.db_align_beg                  134 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  345 
_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       212 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_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 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 SER A 24  ? GLY A 43  ? SER A 24  GLY A 43  1 ? 20 
HELX_P HELX_P2 AA2 SER A 49  ? ASP A 57  ? SER A 49  ASP A 57  1 ? 9  
HELX_P HELX_P3 AA3 TYR A 61  ? GLY A 65  ? TYR A 61  GLY A 65  5 ? 5  
HELX_P HELX_P4 AA4 TYR A 67  ? TYR A 78  ? TYR A 67  TYR A 78  1 ? 12 
HELX_P HELX_P5 AA5 ARG A 96  ? GLY A 101 ? ARG A 96  GLY A 101 5 ? 6  
HELX_P HELX_P6 AA6 ASN A 117 ? GLN A 128 ? ASN A 117 GLN A 128 1 ? 12 
HELX_P HELX_P7 AA7 GLY A 138 ? LEU A 143 ? GLY A 138 LEU A 143 1 ? 6  
HELX_P HELX_P8 AA8 GLY A 198 ? LEU A 202 ? GLY A 198 LEU A 202 5 ? 5  
# 
_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 22  SG ? ? ? 1_555 A CYS 63  SG ? ? A CYS 22  A CYS 63  1_555 ? ? ? ? ? ? ? 2.010 ? ? 
disulf2 disulf ?    ? A CYS 56  SG ? ? ? 1_555 A CYS 95  SG ? ? A CYS 56  A CYS 95  1_555 ? ? ? ? ? ? ? 2.038 ? ? 
disulf3 disulf ?    ? A CYS 153 SG ? ? ? 1_555 A CYS 200 SG ? ? A CYS 153 A CYS 200 1_555 ? ? ? ? ? ? ? 2.032 ? ? 
covale1 covale none ? A CYS 25  SG ? ? ? 1_555 B E6C .   C2 ? ? A CYS 25  A E6C 301 1_555 ? ? ? ? ? ? ? 1.799 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
covale ? ? 
# 
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 E6C B .   ? CYS A 25  ? E6C A 301 ? 1_555 CYS A 25  ? 1_555 C2 SG CYS 1 E6C None 'Covalent chemical modification' 
2 CYS A 22  ? CYS A 63  ? CYS A 22  ? 1_555 CYS A 63  ? 1_555 SG SG .   . .   None 'Disulfide bridge'               
3 CYS A 56  ? CYS A 95  ? CYS A 56  ? 1_555 CYS A 95  ? 1_555 SG SG .   . .   None 'Disulfide bridge'               
4 CYS A 153 ? CYS A 200 ? CYS A 153 ? 1_555 CYS A 200 ? 1_555 SG SG .   . .   None 'Disulfide bridge'               
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          GLY 
_struct_mon_prot_cis.label_seq_id           151 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           GLY 
_struct_mon_prot_cis.auth_seq_id            151 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    152 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     152 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       2.80 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 3 ? 
AA2 ? 5 ? 
AA3 ? 2 ? 
# 
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 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? parallel      
AA3 1 2 ? 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 VAL A 5   ? ASP A 6   ? VAL A 5   ASP A 6   
AA1 2 HIS A 159 ? GLY A 167 ? HIS A 159 GLY A 167 
AA1 3 VAL A 130 ? LEU A 134 ? VAL A 130 LEU A 134 
AA2 1 VAL A 5   ? ASP A 6   ? VAL A 5   ASP A 6   
AA2 2 HIS A 159 ? GLY A 167 ? HIS A 159 GLY A 167 
AA2 3 TYR A 170 ? LYS A 174 ? TYR A 170 LYS A 174 
AA2 4 TYR A 186 ? LYS A 190 ? TYR A 186 LYS A 190 
AA2 5 ILE A 148 ? PHE A 149 ? ILE A 148 PHE A 149 
AA3 1 GLY A 109 ? GLN A 112 ? GLY A 109 GLN A 112 
AA3 2 PHE A 207 ? VAL A 210 ? PHE A 207 VAL A 210 
# 
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 VAL A 5   ? N VAL A 5   O TYR A 166 ? O TYR A 166 
AA1 2 3 O VAL A 161 ? O VAL A 161 N VAL A 132 ? N VAL A 132 
AA2 1 2 N VAL A 5   ? N VAL A 5   O TYR A 166 ? O TYR A 166 
AA2 2 3 N ALA A 162 ? N ALA A 162 O LYS A 174 ? O LYS A 174 
AA2 3 4 N ILE A 173 ? N ILE A 173 O ILE A 187 ? O ILE A 187 
AA2 4 5 O ARG A 188 ? O ARG A 188 N PHE A 149 ? N PHE A 149 
AA3 1 2 N ARG A 111 ? N ARG A 111 O TYR A 208 ? O TYR A 208 
# 
_pdbx_entry_details.entry_id                   9NBJ 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_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 ARG A 93 ? ? -121.15 -167.77 
2 1 ARG A 93 ? ? -121.15 -167.27 
# 
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  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
E6C O1   O N N 88  
E6C C2   C N N 89  
E6C C3   C N S 90  
E6C C4   C N N 91  
E6C O5   O N N 92  
E6C N6   N N N 93  
E6C C7   C N S 94  
E6C C8   C N N 95  
E6C O9   O N N 96  
E6C N10  N N N 97  
E6C C11  C N N 98  
E6C C12  C N N 99  
E6C C13  C N N 100 
E6C C14  C N N 101 
E6C C15  C N N 102 
E6C C16  C N N 103 
E6C O17  O N N 104 
E6C O18  O N N 105 
E6C C19  C N N 106 
E6C C20  C N N 107 
E6C C21  C N N 108 
E6C C22  C N N 109 
E6C HO1  H N N 110 
E6C H21  H N N 111 
E6C H22  H N N 112 
E6C H3   H N N 113 
E6C HN6  H N N 114 
E6C H7   H N N 115 
E6C HN1  H N N 116 
E6C H111 H N N 117 
E6C H112 H N N 118 
E6C H121 H N N 119 
E6C H122 H N N 120 
E6C H13  H N N 121 
E6C H141 H N N 122 
E6C H142 H N N 123 
E6C H143 H N N 124 
E6C H151 H N N 125 
E6C H152 H N N 126 
E6C H153 H N N 127 
E6C HO8  H N N 128 
E6C H191 H N N 129 
E6C H192 H N N 130 
E6C H20  H N N 131 
E6C H211 H N N 132 
E6C H212 H N N 133 
E6C H213 H N N 134 
E6C H221 H N N 135 
E6C H222 H N N 136 
E6C H223 H N N 137 
GLN N    N N N 138 
GLN CA   C N S 139 
GLN C    C N N 140 
GLN O    O N N 141 
GLN CB   C N N 142 
GLN CG   C N N 143 
GLN CD   C N N 144 
GLN OE1  O N N 145 
GLN NE2  N N N 146 
GLN OXT  O N N 147 
GLN H    H N N 148 
GLN H2   H N N 149 
GLN HA   H N N 150 
GLN HB2  H N N 151 
GLN HB3  H N N 152 
GLN HG2  H N N 153 
GLN HG3  H N N 154 
GLN HE21 H N N 155 
GLN HE22 H N N 156 
GLN HXT  H N N 157 
GLU N    N N N 158 
GLU CA   C N S 159 
GLU C    C N N 160 
GLU O    O N N 161 
GLU CB   C N N 162 
GLU CG   C N N 163 
GLU CD   C N N 164 
GLU OE1  O N N 165 
GLU OE2  O N N 166 
GLU OXT  O N N 167 
GLU H    H N N 168 
GLU H2   H N N 169 
GLU HA   H N N 170 
GLU HB2  H N N 171 
GLU HB3  H N N 172 
GLU HG2  H N N 173 
GLU HG3  H N N 174 
GLU HE2  H N N 175 
GLU HXT  H N N 176 
GLY N    N N N 177 
GLY CA   C N N 178 
GLY C    C N N 179 
GLY O    O N N 180 
GLY OXT  O N N 181 
GLY H    H N N 182 
GLY H2   H N N 183 
GLY HA2  H N N 184 
GLY HA3  H N N 185 
GLY HXT  H N N 186 
HIS N    N N N 187 
HIS CA   C N S 188 
HIS C    C N N 189 
HIS O    O N N 190 
HIS CB   C N N 191 
HIS CG   C Y N 192 
HIS ND1  N Y N 193 
HIS CD2  C Y N 194 
HIS CE1  C Y N 195 
HIS NE2  N Y N 196 
HIS OXT  O N N 197 
HIS H    H N N 198 
HIS H2   H N N 199 
HIS HA   H N N 200 
HIS HB2  H N N 201 
HIS HB3  H N N 202 
HIS HD1  H N N 203 
HIS HD2  H N N 204 
HIS HE1  H N N 205 
HIS HE2  H N N 206 
HIS HXT  H N N 207 
HOH O    O N N 208 
HOH H1   H N N 209 
HOH H2   H N N 210 
ILE N    N N N 211 
ILE CA   C N S 212 
ILE C    C N N 213 
ILE O    O N N 214 
ILE CB   C N S 215 
ILE CG1  C N N 216 
ILE CG2  C N N 217 
ILE CD1  C N N 218 
ILE OXT  O N N 219 
ILE H    H N N 220 
ILE H2   H N N 221 
ILE HA   H N N 222 
ILE HB   H N N 223 
ILE HG12 H N N 224 
ILE HG13 H N N 225 
ILE HG21 H N N 226 
ILE HG22 H N N 227 
ILE HG23 H N N 228 
ILE HD11 H N N 229 
ILE HD12 H N N 230 
ILE HD13 H N N 231 
ILE HXT  H N N 232 
LEU N    N N N 233 
LEU CA   C N S 234 
LEU C    C N N 235 
LEU O    O N N 236 
LEU CB   C N N 237 
LEU CG   C N N 238 
LEU CD1  C N N 239 
LEU CD2  C N N 240 
LEU OXT  O N N 241 
LEU H    H N N 242 
LEU H2   H N N 243 
LEU HA   H N N 244 
LEU HB2  H N N 245 
LEU HB3  H N N 246 
LEU HG   H N N 247 
LEU HD11 H N N 248 
LEU HD12 H N N 249 
LEU HD13 H N N 250 
LEU HD21 H N N 251 
LEU HD22 H N N 252 
LEU HD23 H N N 253 
LEU HXT  H N N 254 
LYS N    N N N 255 
LYS CA   C N S 256 
LYS C    C N N 257 
LYS O    O N N 258 
LYS CB   C N N 259 
LYS CG   C N N 260 
LYS CD   C N N 261 
LYS CE   C N N 262 
LYS NZ   N N N 263 
LYS OXT  O N N 264 
LYS H    H N N 265 
LYS H2   H N N 266 
LYS HA   H N N 267 
LYS HB2  H N N 268 
LYS HB3  H N N 269 
LYS HG2  H N N 270 
LYS HG3  H N N 271 
LYS HD2  H N N 272 
LYS HD3  H N N 273 
LYS HE2  H N N 274 
LYS HE3  H N N 275 
LYS HZ1  H N N 276 
LYS HZ2  H N N 277 
LYS HZ3  H N N 278 
LYS HXT  H N N 279 
PHE N    N N N 280 
PHE CA   C N S 281 
PHE C    C N N 282 
PHE O    O N N 283 
PHE CB   C N N 284 
PHE CG   C Y N 285 
PHE CD1  C Y N 286 
PHE CD2  C Y N 287 
PHE CE1  C Y N 288 
PHE CE2  C Y N 289 
PHE CZ   C Y N 290 
PHE OXT  O N N 291 
PHE H    H N N 292 
PHE H2   H N N 293 
PHE HA   H N N 294 
PHE HB2  H N N 295 
PHE HB3  H N N 296 
PHE HD1  H N N 297 
PHE HD2  H N N 298 
PHE HE1  H N N 299 
PHE HE2  H N N 300 
PHE HZ   H N N 301 
PHE HXT  H N N 302 
PRO N    N N N 303 
PRO CA   C N S 304 
PRO C    C N N 305 
PRO O    O N N 306 
PRO CB   C N N 307 
PRO CG   C N N 308 
PRO CD   C N N 309 
PRO OXT  O N N 310 
PRO H    H N N 311 
PRO HA   H N N 312 
PRO HB2  H N N 313 
PRO HB3  H N N 314 
PRO HG2  H N N 315 
PRO HG3  H N N 316 
PRO HD2  H N N 317 
PRO HD3  H N N 318 
PRO HXT  H N N 319 
SER N    N N N 320 
SER CA   C N S 321 
SER C    C N N 322 
SER O    O N N 323 
SER CB   C N N 324 
SER OG   O N N 325 
SER OXT  O N N 326 
SER H    H N N 327 
SER H2   H N N 328 
SER HA   H N N 329 
SER HB2  H N N 330 
SER HB3  H N N 331 
SER HG   H N N 332 
SER HXT  H N N 333 
THR N    N N N 334 
THR CA   C N S 335 
THR C    C N N 336 
THR O    O N N 337 
THR CB   C N R 338 
THR OG1  O N N 339 
THR CG2  C N N 340 
THR OXT  O N N 341 
THR H    H N N 342 
THR H2   H N N 343 
THR HA   H N N 344 
THR HB   H N N 345 
THR HG1  H N N 346 
THR HG21 H N N 347 
THR HG22 H N N 348 
THR HG23 H N N 349 
THR HXT  H N N 350 
TRP N    N N N 351 
TRP CA   C N S 352 
TRP C    C N N 353 
TRP O    O N N 354 
TRP CB   C N N 355 
TRP CG   C Y N 356 
TRP CD1  C Y N 357 
TRP CD2  C Y N 358 
TRP NE1  N Y N 359 
TRP CE2  C Y N 360 
TRP CE3  C Y N 361 
TRP CZ2  C Y N 362 
TRP CZ3  C Y N 363 
TRP CH2  C Y N 364 
TRP OXT  O N N 365 
TRP H    H N N 366 
TRP H2   H N N 367 
TRP HA   H N N 368 
TRP HB2  H N N 369 
TRP HB3  H N N 370 
TRP HD1  H N N 371 
TRP HE1  H N N 372 
TRP HE3  H N N 373 
TRP HZ2  H N N 374 
TRP HZ3  H N N 375 
TRP HH2  H N N 376 
TRP HXT  H N N 377 
TYR N    N N N 378 
TYR CA   C N S 379 
TYR C    C N N 380 
TYR O    O N N 381 
TYR CB   C N N 382 
TYR CG   C Y N 383 
TYR CD1  C Y N 384 
TYR CD2  C Y N 385 
TYR CE1  C Y N 386 
TYR CE2  C Y N 387 
TYR CZ   C Y N 388 
TYR OH   O N N 389 
TYR OXT  O N N 390 
TYR H    H N N 391 
TYR H2   H N N 392 
TYR HA   H N N 393 
TYR HB2  H N N 394 
TYR HB3  H N N 395 
TYR HD1  H N N 396 
TYR HD2  H N N 397 
TYR HE1  H N N 398 
TYR HE2  H N N 399 
TYR HH   H N N 400 
TYR HXT  H N N 401 
VAL N    N N N 402 
VAL CA   C N S 403 
VAL C    C N N 404 
VAL O    O N N 405 
VAL CB   C N N 406 
VAL CG1  C N N 407 
VAL CG2  C N N 408 
VAL OXT  O N N 409 
VAL H    H N N 410 
VAL H2   H N N 411 
VAL HA   H N N 412 
VAL HB   H N N 413 
VAL HG11 H N N 414 
VAL HG12 H N N 415 
VAL HG13 H N N 416 
VAL HG21 H N N 417 
VAL HG22 H N N 418 
VAL HG23 H N N 419 
VAL HXT  H N N 420 
# 
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  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
E6C O1  C3   sing N N 83  
E6C O1  HO1  sing N N 84  
E6C C2  C3   sing N N 85  
E6C C2  C16  sing N N 86  
E6C C2  H21  sing N N 87  
E6C C2  H22  sing N N 88  
E6C C3  C4   sing N N 89  
E6C C3  H3   sing N N 90  
E6C C4  O5   doub N N 91  
E6C C4  N6   sing N N 92  
E6C N6  C7   sing N N 93  
E6C N6  HN6  sing N N 94  
E6C C7  C8   sing N N 95  
E6C C7  C19  sing N N 96  
E6C C7  H7   sing N N 97  
E6C C8  O9   doub N N 98  
E6C C8  N10  sing N N 99  
E6C N10 C11  sing N N 100 
E6C N10 HN1  sing N N 101 
E6C C11 C12  sing N N 102 
E6C C11 H111 sing N N 103 
E6C C11 H112 sing N N 104 
E6C C12 C13  sing N N 105 
E6C C12 H121 sing N N 106 
E6C C12 H122 sing N N 107 
E6C C13 C14  sing N N 108 
E6C C13 C15  sing N N 109 
E6C C13 H13  sing N N 110 
E6C C14 H141 sing N N 111 
E6C C14 H142 sing N N 112 
E6C C14 H143 sing N N 113 
E6C C15 H151 sing N N 114 
E6C C15 H152 sing N N 115 
E6C C15 H153 sing N N 116 
E6C C16 O17  doub N N 117 
E6C C16 O18  sing N N 118 
E6C O18 HO8  sing N N 119 
E6C C19 C20  sing N N 120 
E6C C19 H191 sing N N 121 
E6C C19 H192 sing N N 122 
E6C C20 C21  sing N N 123 
E6C C20 C22  sing N N 124 
E6C C20 H20  sing N N 125 
E6C C21 H211 sing N N 126 
E6C C21 H212 sing N N 127 
E6C C21 H213 sing N N 128 
E6C C22 H221 sing N N 129 
E6C C22 H222 sing N N 130 
E6C C22 H223 sing N N 131 
GLN N   CA   sing N N 132 
GLN N   H    sing N N 133 
GLN N   H2   sing N N 134 
GLN CA  C    sing N N 135 
GLN CA  CB   sing N N 136 
GLN CA  HA   sing N N 137 
GLN C   O    doub N N 138 
GLN C   OXT  sing N N 139 
GLN CB  CG   sing N N 140 
GLN CB  HB2  sing N N 141 
GLN CB  HB3  sing N N 142 
GLN CG  CD   sing N N 143 
GLN CG  HG2  sing N N 144 
GLN CG  HG3  sing N N 145 
GLN CD  OE1  doub N N 146 
GLN CD  NE2  sing N N 147 
GLN NE2 HE21 sing N N 148 
GLN NE2 HE22 sing N N 149 
GLN OXT HXT  sing N N 150 
GLU N   CA   sing N N 151 
GLU N   H    sing N N 152 
GLU N   H2   sing N N 153 
GLU CA  C    sing N N 154 
GLU CA  CB   sing N N 155 
GLU CA  HA   sing N N 156 
GLU C   O    doub N N 157 
GLU C   OXT  sing N N 158 
GLU CB  CG   sing N N 159 
GLU CB  HB2  sing N N 160 
GLU CB  HB3  sing N N 161 
GLU CG  CD   sing N N 162 
GLU CG  HG2  sing N N 163 
GLU CG  HG3  sing N N 164 
GLU CD  OE1  doub N N 165 
GLU CD  OE2  sing N N 166 
GLU OE2 HE2  sing N N 167 
GLU OXT HXT  sing N N 168 
GLY N   CA   sing N N 169 
GLY N   H    sing N N 170 
GLY N   H2   sing N N 171 
GLY CA  C    sing N N 172 
GLY CA  HA2  sing N N 173 
GLY CA  HA3  sing N N 174 
GLY C   O    doub N N 175 
GLY C   OXT  sing N N 176 
GLY OXT HXT  sing N N 177 
HIS N   CA   sing N N 178 
HIS N   H    sing N N 179 
HIS N   H2   sing N N 180 
HIS CA  C    sing N N 181 
HIS CA  CB   sing N N 182 
HIS CA  HA   sing N N 183 
HIS C   O    doub N N 184 
HIS C   OXT  sing N N 185 
HIS CB  CG   sing N N 186 
HIS CB  HB2  sing N N 187 
HIS CB  HB3  sing N N 188 
HIS CG  ND1  sing Y N 189 
HIS CG  CD2  doub Y N 190 
HIS ND1 CE1  doub Y N 191 
HIS ND1 HD1  sing N N 192 
HIS CD2 NE2  sing Y N 193 
HIS CD2 HD2  sing N N 194 
HIS CE1 NE2  sing Y N 195 
HIS CE1 HE1  sing N N 196 
HIS NE2 HE2  sing N N 197 
HIS OXT HXT  sing N N 198 
HOH O   H1   sing N N 199 
HOH O   H2   sing N N 200 
ILE N   CA   sing N N 201 
ILE N   H    sing N N 202 
ILE N   H2   sing N N 203 
ILE CA  C    sing N N 204 
ILE CA  CB   sing N N 205 
ILE CA  HA   sing N N 206 
ILE C   O    doub N N 207 
ILE C   OXT  sing N N 208 
ILE CB  CG1  sing N N 209 
ILE CB  CG2  sing N N 210 
ILE CB  HB   sing N N 211 
ILE CG1 CD1  sing N N 212 
ILE CG1 HG12 sing N N 213 
ILE CG1 HG13 sing N N 214 
ILE CG2 HG21 sing N N 215 
ILE CG2 HG22 sing N N 216 
ILE CG2 HG23 sing N N 217 
ILE CD1 HD11 sing N N 218 
ILE CD1 HD12 sing N N 219 
ILE CD1 HD13 sing N N 220 
ILE OXT HXT  sing N N 221 
LEU N   CA   sing N N 222 
LEU N   H    sing N N 223 
LEU N   H2   sing N N 224 
LEU CA  C    sing N N 225 
LEU CA  CB   sing N N 226 
LEU CA  HA   sing N N 227 
LEU C   O    doub N N 228 
LEU C   OXT  sing N N 229 
LEU CB  CG   sing N N 230 
LEU CB  HB2  sing N N 231 
LEU CB  HB3  sing N N 232 
LEU CG  CD1  sing N N 233 
LEU CG  CD2  sing N N 234 
LEU CG  HG   sing N N 235 
LEU CD1 HD11 sing N N 236 
LEU CD1 HD12 sing N N 237 
LEU CD1 HD13 sing N N 238 
LEU CD2 HD21 sing N N 239 
LEU CD2 HD22 sing N N 240 
LEU CD2 HD23 sing N N 241 
LEU OXT HXT  sing N N 242 
LYS N   CA   sing N N 243 
LYS N   H    sing N N 244 
LYS N   H2   sing N N 245 
LYS CA  C    sing N N 246 
LYS CA  CB   sing N N 247 
LYS CA  HA   sing N N 248 
LYS C   O    doub N N 249 
LYS C   OXT  sing N N 250 
LYS CB  CG   sing N N 251 
LYS CB  HB2  sing N N 252 
LYS CB  HB3  sing N N 253 
LYS CG  CD   sing N N 254 
LYS CG  HG2  sing N N 255 
LYS CG  HG3  sing N N 256 
LYS CD  CE   sing N N 257 
LYS CD  HD2  sing N N 258 
LYS CD  HD3  sing N N 259 
LYS CE  NZ   sing N N 260 
LYS CE  HE2  sing N N 261 
LYS CE  HE3  sing N N 262 
LYS NZ  HZ1  sing N N 263 
LYS NZ  HZ2  sing N N 264 
LYS NZ  HZ3  sing N N 265 
LYS OXT HXT  sing N N 266 
PHE N   CA   sing N N 267 
PHE N   H    sing N N 268 
PHE N   H2   sing N N 269 
PHE CA  C    sing N N 270 
PHE CA  CB   sing N N 271 
PHE CA  HA   sing N N 272 
PHE C   O    doub N N 273 
PHE C   OXT  sing N N 274 
PHE CB  CG   sing N N 275 
PHE CB  HB2  sing N N 276 
PHE CB  HB3  sing N N 277 
PHE CG  CD1  doub Y N 278 
PHE CG  CD2  sing Y N 279 
PHE CD1 CE1  sing Y N 280 
PHE CD1 HD1  sing N N 281 
PHE CD2 CE2  doub Y N 282 
PHE CD2 HD2  sing N N 283 
PHE CE1 CZ   doub Y N 284 
PHE CE1 HE1  sing N N 285 
PHE CE2 CZ   sing Y N 286 
PHE CE2 HE2  sing N N 287 
PHE CZ  HZ   sing N N 288 
PHE OXT HXT  sing N N 289 
PRO N   CA   sing N N 290 
PRO N   CD   sing N N 291 
PRO N   H    sing N N 292 
PRO CA  C    sing N N 293 
PRO CA  CB   sing N N 294 
PRO CA  HA   sing N N 295 
PRO C   O    doub N N 296 
PRO C   OXT  sing N N 297 
PRO CB  CG   sing N N 298 
PRO CB  HB2  sing N N 299 
PRO CB  HB3  sing N N 300 
PRO CG  CD   sing N N 301 
PRO CG  HG2  sing N N 302 
PRO CG  HG3  sing N N 303 
PRO CD  HD2  sing N N 304 
PRO CD  HD3  sing N N 305 
PRO OXT HXT  sing N N 306 
SER N   CA   sing N N 307 
SER N   H    sing N N 308 
SER N   H2   sing N N 309 
SER CA  C    sing N N 310 
SER CA  CB   sing N N 311 
SER CA  HA   sing N N 312 
SER C   O    doub N N 313 
SER C   OXT  sing N N 314 
SER CB  OG   sing N N 315 
SER CB  HB2  sing N N 316 
SER CB  HB3  sing N N 317 
SER OG  HG   sing N N 318 
SER OXT HXT  sing N N 319 
THR N   CA   sing N N 320 
THR N   H    sing N N 321 
THR N   H2   sing N N 322 
THR CA  C    sing N N 323 
THR CA  CB   sing N N 324 
THR CA  HA   sing N N 325 
THR C   O    doub N N 326 
THR C   OXT  sing N N 327 
THR CB  OG1  sing N N 328 
THR CB  CG2  sing N N 329 
THR CB  HB   sing N N 330 
THR OG1 HG1  sing N N 331 
THR CG2 HG21 sing N N 332 
THR CG2 HG22 sing N N 333 
THR CG2 HG23 sing N N 334 
THR OXT HXT  sing N N 335 
TRP N   CA   sing N N 336 
TRP N   H    sing N N 337 
TRP N   H2   sing N N 338 
TRP CA  C    sing N N 339 
TRP CA  CB   sing N N 340 
TRP CA  HA   sing N N 341 
TRP C   O    doub N N 342 
TRP C   OXT  sing N N 343 
TRP CB  CG   sing N N 344 
TRP CB  HB2  sing N N 345 
TRP CB  HB3  sing N N 346 
TRP CG  CD1  doub Y N 347 
TRP CG  CD2  sing Y N 348 
TRP CD1 NE1  sing Y N 349 
TRP CD1 HD1  sing N N 350 
TRP CD2 CE2  doub Y N 351 
TRP CD2 CE3  sing Y N 352 
TRP NE1 CE2  sing Y N 353 
TRP NE1 HE1  sing N N 354 
TRP CE2 CZ2  sing Y N 355 
TRP CE3 CZ3  doub Y N 356 
TRP CE3 HE3  sing N N 357 
TRP CZ2 CH2  doub Y N 358 
TRP CZ2 HZ2  sing N N 359 
TRP CZ3 CH2  sing Y N 360 
TRP CZ3 HZ3  sing N N 361 
TRP CH2 HH2  sing N N 362 
TRP OXT HXT  sing N N 363 
TYR N   CA   sing N N 364 
TYR N   H    sing N N 365 
TYR N   H2   sing N N 366 
TYR CA  C    sing N N 367 
TYR CA  CB   sing N N 368 
TYR CA  HA   sing N N 369 
TYR C   O    doub N N 370 
TYR C   OXT  sing N N 371 
TYR CB  CG   sing N N 372 
TYR CB  HB2  sing N N 373 
TYR CB  HB3  sing N N 374 
TYR CG  CD1  doub Y N 375 
TYR CG  CD2  sing Y N 376 
TYR CD1 CE1  sing Y N 377 
TYR CD1 HD1  sing N N 378 
TYR CD2 CE2  doub Y N 379 
TYR CD2 HD2  sing N N 380 
TYR CE1 CZ   doub Y N 381 
TYR CE1 HE1  sing N N 382 
TYR CE2 CZ   sing Y N 383 
TYR CE2 HE2  sing N N 384 
TYR CZ  OH   sing N N 385 
TYR OH  HH   sing N N 386 
TYR OXT HXT  sing N N 387 
VAL N   CA   sing N N 388 
VAL N   H    sing N N 389 
VAL N   H2   sing N N 390 
VAL CA  C    sing N N 391 
VAL CA  CB   sing N N 392 
VAL CA  HA   sing N N 393 
VAL C   O    doub N N 394 
VAL C   OXT  sing N N 395 
VAL CB  CG1  sing N N 396 
VAL CB  CG2  sing N N 397 
VAL CB  HB   sing N N 398 
VAL CG1 HG11 sing N N 399 
VAL CG1 HG12 sing N N 400 
VAL CG1 HG13 sing N N 401 
VAL CG2 HG21 sing N N 402 
VAL CG2 HG22 sing N N 403 
VAL CG2 HG23 sing N N 404 
VAL OXT HXT  sing N N 405 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Howard Hughes Medical Institute (HHMI)'           'United States' HHMI-EPI          1 
'National Science Foundation (NSF, United States)' 'United States' DMR-1548924       2 
'Department of Energy (DOE, United States)'        'United States' DE-FC02-02ER63421 3 
# 
_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   9PAP 
_pdbx_initial_refinement_model.details          ? 
# 
_pdbx_serial_crystallography_data_reduction.diffrn_id             1 
_pdbx_serial_crystallography_data_reduction.frames_total          ? 
_pdbx_serial_crystallography_data_reduction.xfel_pulse_events     ? 
_pdbx_serial_crystallography_data_reduction.frame_hits            ? 
_pdbx_serial_crystallography_data_reduction.crystal_hits          22890 
_pdbx_serial_crystallography_data_reduction.droplet_hits          ? 
_pdbx_serial_crystallography_data_reduction.frames_failed_index   ? 
_pdbx_serial_crystallography_data_reduction.frames_indexed        18301 
_pdbx_serial_crystallography_data_reduction.lattices_indexed      19985 
_pdbx_serial_crystallography_data_reduction.xfel_run_numbers      ? 
_pdbx_serial_crystallography_data_reduction.lattices_merged       ? 
# 
_pdbx_serial_crystallography_sample_delivery.diffrn_id     1 
_pdbx_serial_crystallography_sample_delivery.description   ? 
_pdbx_serial_crystallography_sample_delivery.method        'fixed target' 
# 
_pdbx_serial_crystallography_sample_delivery_fixed_target.diffrn_id                       1 
_pdbx_serial_crystallography_sample_delivery_fixed_target.description                     'mylar foils' 
_pdbx_serial_crystallography_sample_delivery_fixed_target.sample_holding                  ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.support_base                    ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.sample_unit_size                ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.crystals_per_unit               ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.sample_solvent                  ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.sample_dehydration_prevention   ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.motion_control                  ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.velocity_horizontal             ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.velocity_vertical               ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.details                         ? 
# 
_atom_sites.entry_id                    9NBJ 
_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]   0.023529 
_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]   0.020450 
_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]   0.009852 
_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 
C 
N 
O 
S 
# 
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   1    N N   . ILE A 1 1   ? 22.901  -9.950  21.064 1.00 31.28 ? 1   ILE A N   1 
ATOM   2    C CA  . ILE A 1 1   ? 22.671  -9.028  19.952 1.00 30.42 ? 1   ILE A CA  1 
ATOM   3    C C   . ILE A 1 1   ? 23.931  -8.203  19.670 1.00 30.54 ? 1   ILE A C   1 
ATOM   4    O O   . ILE A 1 1   ? 24.768  -8.020  20.583 1.00 29.58 ? 1   ILE A O   1 
ATOM   5    C CB  . ILE A 1 1   ? 21.447  -8.131  20.244 1.00 28.60 ? 1   ILE A CB  1 
ATOM   6    C CG1 . ILE A 1 1   ? 21.717  -7.257  21.474 1.00 27.00 ? 1   ILE A CG1 1 
ATOM   7    C CG2 . ILE A 1 1   ? 20.221  -8.985  20.448 1.00 31.94 ? 1   ILE A CG2 1 
ATOM   8    C CD1 . ILE A 1 1   ? 20.546  -6.361  21.876 1.00 28.49 ? 1   ILE A CD1 1 
ATOM   9    N N   . PRO A 1 2   ? 24.064  -7.710  18.432 1.00 31.68 ? 2   PRO A N   1 
ATOM   10   C CA  . PRO A 1 2   ? 25.309  -7.057  18.013 1.00 32.78 ? 2   PRO A CA  1 
ATOM   11   C C   . PRO A 1 2   ? 25.476  -5.701  18.671 1.00 30.22 ? 2   PRO A C   1 
ATOM   12   O O   . PRO A 1 2   ? 24.544  -5.121  19.227 1.00 28.83 ? 2   PRO A O   1 
ATOM   13   C CB  . PRO A 1 2   ? 25.130  -6.898  16.495 1.00 30.43 ? 2   PRO A CB  1 
ATOM   14   C CG  . PRO A 1 2   ? 23.982  -7.789  16.152 1.00 35.91 ? 2   PRO A CG  1 
ATOM   15   C CD  . PRO A 1 2   ? 23.087  -7.660  17.330 1.00 31.31 ? 2   PRO A CD  1 
ATOM   16   N N   . GLU A 1 3   ? 26.694  -5.175  18.558 1.00 26.93 ? 3   GLU A N   1 
ATOM   17   C CA  . GLU A 1 3   ? 26.983  -3.882  19.149 1.00 30.57 ? 3   GLU A CA  1 
ATOM   18   C C   . GLU A 1 3   ? 26.345  -2.760  18.345 1.00 29.28 ? 3   GLU A C   1 
ATOM   19   O O   . GLU A 1 3   ? 25.988  -1.715  18.911 1.00 29.66 ? 3   GLU A O   1 
ATOM   20   C CB  . GLU A 1 3   ? 28.489  -3.675  19.238 1.00 34.60 ? 3   GLU A CB  1 
ATOM   21   C CG  . GLU A 1 3   ? 29.036  -4.081  20.584 1.00 46.16 ? 3   GLU A CG  1 
ATOM   22   C CD  . GLU A 1 3   ? 30.531  -4.252  20.562 1.00 49.95 ? 3   GLU A CD  1 
ATOM   23   O OE1 . GLU A 1 3   ? 31.211  -3.440  21.221 1.00 54.32 ? 3   GLU A OE1 1 
ATOM   24   O OE2 . GLU A 1 3   ? 31.023  -5.148  19.842 1.00 46.70 ? 3   GLU A OE2 1 
ATOM   25   N N   . TYR A 1 4   ? 26.181  -2.970  17.038 1.00 25.08 ? 4   TYR A N   1 
ATOM   26   C CA  . TYR A 1 4   ? 25.570  -1.992  16.149 1.00 28.97 ? 4   TYR A CA  1 
ATOM   27   C C   . TYR A 1 4   ? 24.465  -2.677  15.373 1.00 27.72 ? 4   TYR A C   1 
ATOM   28   O O   . TYR A 1 4   ? 24.620  -3.817  14.917 1.00 27.12 ? 4   TYR A O   1 
ATOM   29   C CB  . TYR A 1 4   ? 26.573  -1.409  15.154 1.00 29.07 ? 4   TYR A CB  1 
ATOM   30   C CG  . TYR A 1 4   ? 27.538  -0.429  15.761 1.00 34.85 ? 4   TYR A CG  1 
ATOM   31   C CD1 . TYR A 1 4   ? 28.743  -0.865  16.292 1.00 35.02 ? 4   TYR A CD1 1 
ATOM   32   C CD2 . TYR A 1 4   ? 27.255  0.934   15.794 1.00 31.75 ? 4   TYR A CD2 1 
ATOM   33   C CE1 . TYR A 1 4   ? 29.650  0.029   16.848 1.00 35.27 ? 4   TYR A CE1 1 
ATOM   34   C CE2 . TYR A 1 4   ? 28.152  1.834   16.351 1.00 32.47 ? 4   TYR A CE2 1 
ATOM   35   C CZ  . TYR A 1 4   ? 29.357  1.370   16.867 1.00 35.46 ? 4   TYR A CZ  1 
ATOM   36   O OH  . TYR A 1 4   ? 30.251  2.260   17.424 1.00 42.63 ? 4   TYR A OH  1 
ATOM   37   N N   . VAL A 1 5   ? 23.349  -1.988  15.237 1.00 26.70 ? 5   VAL A N   1 
ATOM   38   C CA  . VAL A 1 5   ? 22.284  -2.422  14.351 1.00 27.30 ? 5   VAL A CA  1 
ATOM   39   C C   . VAL A 1 5   ? 21.891  -1.209  13.542 1.00 27.39 ? 5   VAL A C   1 
ATOM   40   O O   . VAL A 1 5   ? 21.791  -0.113  14.094 1.00 25.16 ? 5   VAL A O   1 
ATOM   41   C CB  . VAL A 1 5   ? 21.085  -2.989  15.125 1.00 25.85 ? 5   VAL A CB  1 
ATOM   42   C CG1 . VAL A 1 5   ? 19.869  -3.159  14.188 1.00 30.56 ? 5   VAL A CG1 1 
ATOM   43   C CG2 . VAL A 1 5   ? 21.475  -4.324  15.758 1.00 29.38 ? 5   VAL A CG2 1 
ATOM   44   N N   . ASP A 1 6   ? 21.753  -1.381  12.228 1.00 25.30 ? 6   ASP A N   1 
ATOM   45   C CA  . ASP A 1 6   ? 21.273  -0.281  11.393 1.00 28.17 ? 6   ASP A CA  1 
ATOM   46   C C   . ASP A 1 6   ? 20.431  -0.916  10.297 1.00 28.55 ? 6   ASP A C   1 
ATOM   47   O O   . ASP A 1 6   ? 20.980  -1.449  9.328  1.00 29.29 ? 6   ASP A O   1 
ATOM   48   C CB  . ASP A 1 6   ? 22.416  0.535   10.814 1.00 31.71 ? 6   ASP A CB  1 
ATOM   49   C CG  . ASP A 1 6   ? 21.931  1.795   10.122 1.00 32.80 ? 6   ASP A CG  1 
ATOM   50   O OD1 . ASP A 1 6   ? 20.740  1.853   9.759  1.00 31.20 ? 6   ASP A OD1 1 
ATOM   51   O OD2 . ASP A 1 6   ? 22.737  2.724   9.932  1.00 35.68 ? 6   ASP A OD2 1 
ATOM   52   N N   . TRP A 1 7   ? 19.107  -0.853  10.460 1.00 27.14 ? 7   TRP A N   1 
ATOM   53   C CA  . TRP A 1 7   ? 18.215  -1.474  9.489  1.00 27.22 ? 7   TRP A CA  1 
ATOM   54   C C   . TRP A 1 7   ? 18.254  -0.787  8.135  1.00 32.02 ? 7   TRP A C   1 
ATOM   55   O O   . TRP A 1 7   ? 17.803  -1.377  7.145  1.00 27.09 ? 7   TRP A O   1 
ATOM   56   C CB  . TRP A 1 7   ? 16.791  -1.495  10.042 1.00 24.06 ? 7   TRP A CB  1 
ATOM   57   C CG  . TRP A 1 7   ? 16.629  -2.599  11.033 1.00 27.76 ? 7   TRP A CG  1 
ATOM   58   C CD1 . TRP A 1 7   ? 16.484  -2.488  12.387 1.00 25.33 ? 7   TRP A CD1 1 
ATOM   59   C CD2 . TRP A 1 7   ? 16.671  -3.997  10.742 1.00 26.94 ? 7   TRP A CD2 1 
ATOM   60   N NE1 . TRP A 1 7   ? 16.404  -3.745  12.955 1.00 27.66 ? 7   TRP A NE1 1 
ATOM   61   C CE2 . TRP A 1 7   ? 16.512  -4.684  11.961 1.00 30.18 ? 7   TRP A CE2 1 
ATOM   62   C CE3 . TRP A 1 7   ? 16.802  -4.736  9.553  1.00 32.75 ? 7   TRP A CE3 1 
ATOM   63   C CZ2 . TRP A 1 7   ? 16.484  -6.079  12.032 1.00 31.70 ? 7   TRP A CZ2 1 
ATOM   64   C CZ3 . TRP A 1 7   ? 16.759  -6.111  9.621  1.00 32.40 ? 7   TRP A CZ3 1 
ATOM   65   C CH2 . TRP A 1 7   ? 16.617  -6.773  10.856 1.00 32.36 ? 7   TRP A CH2 1 
ATOM   66   N N   . ARG A 1 8   ? 18.791  0.434   8.060  1.00 23.91 ? 8   ARG A N   1 
ATOM   67   C CA  . ARG A 1 8   ? 18.933  1.067   6.756  1.00 30.25 ? 8   ARG A CA  1 
ATOM   68   C C   . ARG A 1 8   ? 19.955  0.318   5.913  1.00 33.69 ? 8   ARG A C   1 
ATOM   69   O O   . ARG A 1 8   ? 19.821  0.235   4.687  1.00 31.84 ? 8   ARG A O   1 
ATOM   70   C CB  . ARG A 1 8   ? 19.381  2.506   6.922  1.00 29.48 ? 8   ARG A CB  1 
ATOM   71   C CG  . ARG A 1 8   ? 18.382  3.370   7.622  1.00 29.06 ? 8   ARG A CG  1 
ATOM   72   C CD  . ARG A 1 8   ? 19.024  4.715   7.832  1.00 35.00 ? 8   ARG A CD  1 
ATOM   73   N NE  . ARG A 1 8   ? 20.196  4.589   8.681  1.00 30.48 ? 8   ARG A NE  1 
ATOM   74   C CZ  . ARG A 1 8   ? 20.977  5.605   9.021  1.00 37.36 ? 8   ARG A CZ  1 
ATOM   75   N NH1 . ARG A 1 8   ? 20.691  6.846   8.657  1.00 34.03 ? 8   ARG A NH1 1 
ATOM   76   N NH2 . ARG A 1 8   ? 22.094  5.364   9.699  1.00 31.73 ? 8   ARG A NH2 1 
ATOM   77   N N   . GLN A 1 9   ? 21.003  -0.215  6.552  1.00 32.10 ? 9   GLN A N   1 
ATOM   78   C CA  . GLN A 1 9   ? 22.019  -0.934  5.788  1.00 36.88 ? 9   GLN A CA  1 
ATOM   79   C C   . GLN A 1 9   ? 21.539  -2.288  5.309  1.00 34.04 ? 9   GLN A C   1 
ATOM   80   O O   . GLN A 1 9   ? 22.120  -2.835  4.372  1.00 36.47 ? 9   GLN A O   1 
ATOM   81   C CB  . GLN A 1 9   ? 23.308  -1.131  6.588  1.00 40.08 ? 9   GLN A CB  1 
ATOM   82   C CG  . GLN A 1 9   ? 23.899  0.134   7.165  1.00 46.87 ? 9   GLN A CG  1 
ATOM   83   C CD  . GLN A 1 9   ? 25.208  -0.136  7.882  1.00 63.51 ? 9   GLN A CD  1 
ATOM   84   O OE1 . GLN A 1 9   ? 25.350  -1.135  8.592  1.00 70.86 ? 9   GLN A OE1 1 
ATOM   85   N NE2 . GLN A 1 9   ? 26.180  0.752   7.691  1.00 71.54 ? 9   GLN A NE2 1 
ATOM   86   N N   . LYS A 1 10  ? 20.528  -2.865  5.946  1.00 32.67 ? 10  LYS A N   1 
ATOM   87   C CA  . LYS A 1 10  ? 19.941  -4.098  5.450  1.00 33.13 ? 10  LYS A CA  1 
ATOM   88   C C   . LYS A 1 10  ? 18.751  -3.829  4.536  1.00 38.61 ? 10  LYS A C   1 
ATOM   89   O O   . LYS A 1 10  ? 17.941  -4.729  4.280  1.00 40.21 ? 10  LYS A O   1 
ATOM   90   C CB  . LYS A 1 10  ? 19.613  -5.005  6.640  1.00 39.68 ? 10  LYS A CB  1 
ATOM   91   C CG  . LYS A 1 10  ? 20.799  -4.977  7.613  1.00 44.38 ? 10  LYS A CG  1 
ATOM   92   C CD  . LYS A 1 10  ? 20.999  -6.209  8.505  1.00 59.04 ? 10  LYS A CD  1 
ATOM   93   C CE  . LYS A 1 10  ? 19.954  -6.351  9.591  1.00 57.64 ? 10  LYS A CE  1 
ATOM   94   N NZ  . LYS A 1 10  ? 20.170  -5.419  10.760 1.00 46.02 ? 10  LYS A NZ  1 
ATOM   95   N N   . GLY A 1 11  ? 18.660  -2.611  4.007  1.00 36.68 ? 11  GLY A N   1 
ATOM   96   C CA  . GLY A 1 11  ? 17.651  -2.279  3.021  1.00 34.10 ? 11  GLY A CA  1 
ATOM   97   C C   . GLY A 1 11  ? 16.232  -2.364  3.524  1.00 35.29 ? 11  GLY A C   1 
ATOM   98   O O   . GLY A 1 11  ? 15.318  -2.605  2.726  1.00 34.00 ? 11  GLY A O   1 
ATOM   99   N N   . ALA A 1 12  ? 16.020  -2.171  4.830  1.00 31.68 ? 12  ALA A N   1 
ATOM   100  C CA  . ALA A 1 12  ? 14.714  -2.345  5.453  1.00 27.75 ? 12  ALA A CA  1 
ATOM   101  C C   . ALA A 1 12  ? 14.059  -1.023  5.825  1.00 27.35 ? 12  ALA A C   1 
ATOM   102  O O   . ALA A 1 12  ? 13.048  -1.018  6.538  1.00 26.92 ? 12  ALA A O   1 
ATOM   103  C CB  . ALA A 1 12  ? 14.832  -3.220  6.693  1.00 32.28 ? 12  ALA A CB  1 
ATOM   104  N N   . VAL A 1 13  ? 14.609  0.100   5.376  1.00 29.80 ? 13  VAL A N   1 
ATOM   105  C CA  . VAL A 1 13  ? 14.074  1.412   5.719  1.00 27.82 ? 13  VAL A CA  1 
ATOM   106  C C   . VAL A 1 13  ? 13.874  2.206   4.438  1.00 24.57 ? 13  VAL A C   1 
ATOM   107  O O   . VAL A 1 13  ? 14.776  2.279   3.593  1.00 27.97 ? 13  VAL A O   1 
ATOM   108  C CB  . VAL A 1 13  ? 14.990  2.171   6.696  1.00 23.93 ? 13  VAL A CB  1 
ATOM   109  C CG1 . VAL A 1 13  ? 14.352  3.506   7.081  1.00 26.24 ? 13  VAL A CG1 1 
ATOM   110  C CG2 . VAL A 1 13  ? 15.236  1.320   7.941  1.00 26.37 ? 13  VAL A CG2 1 
ATOM   111  N N   . THR A 1 14  ? 12.694  2.778   4.291  1.00 24.07 ? 14  THR A N   1 
ATOM   112  C CA  . THR A 1 14  ? 12.360  3.582   3.128  1.00 24.17 ? 14  THR A CA  1 
ATOM   113  C C   . THR A 1 14  ? 12.810  5.012   3.359  1.00 23.16 ? 14  THR A C   1 
ATOM   114  O O   . THR A 1 14  ? 13.198  5.385   4.478  1.00 23.79 ? 14  THR A O   1 
ATOM   115  C CB  . THR A 1 14  ? 10.858  3.510   2.869  1.00 19.67 ? 14  THR A CB  1 
ATOM   116  O OG1 . THR A 1 14  ? 10.174  4.199   3.924  1.00 26.52 ? 14  THR A OG1 1 
ATOM   117  C CG2 . THR A 1 14  ? 10.383  2.039   2.792  1.00 21.65 ? 14  THR A CG2 1 
ATOM   118  N N   . PRO A 1 15  ? 12.766  5.855   2.329  1.00 21.55 ? 15  PRO A N   1 
ATOM   119  C CA  . PRO A 1 15  ? 13.220  7.239   2.506  1.00 20.72 ? 15  PRO A CA  1 
ATOM   120  C C   . PRO A 1 15  ? 12.451  7.953   3.604  1.00 27.41 ? 15  PRO A C   1 
ATOM   121  O O   . PRO A 1 15  ? 11.307  7.624   3.937  1.00 25.62 ? 15  PRO A O   1 
ATOM   122  C CB  . PRO A 1 15  ? 12.956  7.867   1.140  1.00 23.41 ? 15  PRO A CB  1 
ATOM   123  C CG  . PRO A 1 15  ? 13.217  6.713   0.209  1.00 24.63 ? 15  PRO A CG  1 
ATOM   124  C CD  . PRO A 1 15  ? 12.471  5.591   0.904  1.00 26.31 ? 15  PRO A CD  1 
ATOM   125  N N   . VAL A 1 16  ? 13.118  8.950   4.172  1.00 22.96 ? 16  VAL A N   1 
ATOM   126  C CA  . VAL A 1 16  ? 12.541  9.724   5.258  1.00 22.88 ? 16  VAL A CA  1 
ATOM   127  C C   . VAL A 1 16  ? 11.377  10.534  4.717  1.00 25.12 ? 16  VAL A C   1 
ATOM   128  O O   . VAL A 1 16  ? 11.441  11.109  3.615  1.00 24.16 ? 16  VAL A O   1 
ATOM   129  C CB  . VAL A 1 16  ? 13.617  10.619  5.893  1.00 26.52 ? 16  VAL A CB  1 
ATOM   130  C CG1 . VAL A 1 16  ? 12.993  11.761  6.704  1.00 23.35 ? 16  VAL A CG1 1 
ATOM   131  C CG2 . VAL A 1 16  ? 14.531  9.762   6.758  1.00 25.51 ? 16  VAL A CG2 1 
ATOM   132  N N   . LYS A 1 17  ? 10.295  10.564  5.479  1.00 23.05 ? 17  LYS A N   1 
ATOM   133  C CA  . LYS A 1 17  ? 9.116   11.311  5.096  1.00 24.53 ? 17  LYS A CA  1 
ATOM   134  C C   . LYS A 1 17  ? 8.992   12.562  5.944  1.00 22.76 ? 17  LYS A C   1 
ATOM   135  O O   . LYS A 1 17  ? 9.686   12.757  6.943  1.00 23.25 ? 17  LYS A O   1 
ATOM   136  C CB  . LYS A 1 17  ? 7.851   10.457  5.235  1.00 25.76 ? 17  LYS A CB  1 
ATOM   137  C CG  . LYS A 1 17  ? 7.968   9.040   4.689  1.00 26.42 ? 17  LYS A CG  1 
ATOM   138  C CD  . LYS A 1 17  ? 8.398   9.055   3.248  1.00 29.43 ? 17  LYS A CD  1 
ATOM   139  C CE  . LYS A 1 17  ? 8.048   7.763   2.553  1.00 30.45 ? 17  LYS A CE  1 
ATOM   140  N NZ  . LYS A 1 17  ? 8.849   6.598   3.047  1.00 20.70 ? 17  LYS A NZ  1 
ATOM   141  N N   . ASN A 1 18  ? 8.087   13.425  5.505  1.00 22.75 ? 18  ASN A N   1 
ATOM   142  C CA  . ASN A 1 18  ? 7.746   14.629  6.232  1.00 24.45 ? 18  ASN A CA  1 
ATOM   143  C C   . ASN A 1 18  ? 6.254   14.563  6.483  1.00 24.13 ? 18  ASN A C   1 
ATOM   144  O O   . ASN A 1 18  ? 5.455   14.528  5.532  1.00 25.74 ? 18  ASN A O   1 
ATOM   145  C CB  . ASN A 1 18  ? 8.132   15.887  5.459  1.00 27.08 ? 18  ASN A CB  1 
ATOM   146  C CG  . ASN A 1 18  ? 8.000   17.126  6.298  1.00 29.39 ? 18  ASN A CG  1 
ATOM   147  O OD1 . ASN A 1 18  ? 7.341   17.109  7.337  1.00 29.62 ? 18  ASN A OD1 1 
ATOM   148  N ND2 . ASN A 1 18  ? 8.639   18.203  5.873  1.00 40.60 ? 18  ASN A ND2 1 
ATOM   149  N N   . GLN A 1 19  ? 5.884   14.500  7.760  1.00 23.47 ? 19  GLN A N   1 
ATOM   150  C CA  . GLN A 1 19  ? 4.473   14.430  8.103  1.00 24.09 ? 19  GLN A CA  1 
ATOM   151  C C   . GLN A 1 19  ? 3.759   15.762  7.903  1.00 22.82 ? 19  GLN A C   1 
ATOM   152  O O   . GLN A 1 19  ? 2.524   15.784  7.889  1.00 25.05 ? 19  GLN A O   1 
ATOM   153  C CB  . GLN A 1 19  ? 4.307   13.977  9.551  1.00 20.08 ? 19  GLN A CB  1 
ATOM   154  C CG  . GLN A 1 19  ? 4.807   14.991  10.563 1.00 22.60 ? 19  GLN A CG  1 
ATOM   155  C CD  . GLN A 1 19  ? 4.715   14.452  11.974 1.00 28.11 ? 19  GLN A CD  1 
ATOM   156  O OE1 . GLN A 1 19  ? 5.561   13.682  12.411 1.00 26.32 ? 19  GLN A OE1 1 
ATOM   157  N NE2 . GLN A 1 19  ? 3.659   14.829  12.678 1.00 23.62 ? 19  GLN A NE2 1 
ATOM   158  N N   . GLY A 1 20  ? 4.498   16.862  7.765  1.00 25.78 ? 20  GLY A N   1 
ATOM   159  C CA  . GLY A 1 20  ? 3.839   18.140  7.573  1.00 32.38 ? 20  GLY A CA  1 
ATOM   160  C C   . GLY A 1 20  ? 3.199   18.604  8.867  1.00 28.74 ? 20  GLY A C   1 
ATOM   161  O O   . GLY A 1 20  ? 3.611   18.224  9.972  1.00 30.50 ? 20  GLY A O   1 
ATOM   162  N N   . SER A 1 21  ? 2.166   19.438  8.739  1.00 28.40 ? 21  SER A N   1 
ATOM   163  C CA  . SER A 1 21  ? 1.595   20.030  9.946  1.00 36.03 ? 21  SER A CA  1 
ATOM   164  C C   . SER A 1 21  ? 0.689   19.060  10.692 1.00 38.10 ? 21  SER A C   1 
ATOM   165  O O   . SER A 1 21  ? 0.417   19.259  11.883 1.00 42.41 ? 21  SER A O   1 
ATOM   166  C CB  . SER A 1 21  ? 0.844   21.323  9.602  1.00 36.70 ? 21  SER A CB  1 
ATOM   167  O OG  . SER A 1 21  ? 0.032   21.157  8.461  1.00 47.65 ? 21  SER A OG  1 
ATOM   168  N N   . CYS A 1 22  ? 0.261   18.004  10.023 1.00 28.94 ? 22  CYS A N   1 
ATOM   169  C CA  . CYS A 1 22  ? -0.631  17.007  10.594 1.00 26.58 ? 22  CYS A CA  1 
ATOM   170  C C   . CYS A 1 22  ? 0.052   16.210  11.712 1.00 28.91 ? 22  CYS A C   1 
ATOM   171  O O   . CYS A 1 22  ? 1.193   15.761  11.563 1.00 27.50 ? 22  CYS A O   1 
ATOM   172  C CB  . CYS A 1 22  ? -1.083  16.095  9.457  1.00 28.96 ? 22  CYS A CB  1 
ATOM   173  S SG  . CYS A 1 22  ? -2.062  14.703  9.886  1.00 28.44 ? 22  CYS A SG  1 
ATOM   174  N N   . GLY A 1 23  ? -0.652  16.032  12.835 1.00 27.74 ? 23  GLY A N   1 
ATOM   175  C CA  . GLY A 1 23  ? -0.113  15.256  13.931 1.00 26.67 ? 23  GLY A CA  1 
ATOM   176  C C   . GLY A 1 23  ? -0.266  13.777  13.662 1.00 25.51 ? 23  GLY A C   1 
ATOM   177  O O   . GLY A 1 23  ? -0.955  13.056  14.393 1.00 29.32 ? 23  GLY A O   1 
ATOM   178  N N   . SER A 1 24  ? 0.400   13.309  12.611 1.00 22.76 ? 24  SER A N   1 
ATOM   179  C CA  . SER A 1 24  ? 0.250   11.943  12.128 1.00 23.77 ? 24  SER A CA  1 
ATOM   180  C C   . SER A 1 24  ? 1.469   11.089  12.428 1.00 21.74 ? 24  SER A C   1 
ATOM   181  O O   . SER A 1 24  ? 1.608   9.998   11.864 1.00 22.65 ? 24  SER A O   1 
ATOM   182  C CB  . SER A 1 24  ? -0.020  11.958  10.626 1.00 26.78 ? 24  SER A CB  1 
ATOM   183  O OG  . SER A 1 24  ? 1.022   12.679  9.987  1.00 27.83 ? 24  SER A OG  1 
ATOM   184  N N   . CYS A 1 25  ? 2.328   11.554  13.341 1.00 24.38 ? 25  CYS A N   1 
ATOM   185  C CA  . CYS A 1 25  ? 3.548   10.828  13.681 1.00 23.87 ? 25  CYS A CA  1 
ATOM   186  C C   . CYS A 1 25  ? 3.264   9.384   14.041 1.00 24.79 ? 25  CYS A C   1 
ATOM   187  O O   . CYS A 1 25  ? 4.037   8.490   13.688 1.00 23.58 ? 25  CYS A O   1 
ATOM   188  C CB  . CYS A 1 25  ? 4.262   11.518  14.843 1.00 23.65 ? 25  CYS A CB  1 
ATOM   189  S SG  . CYS A 1 25  ? 3.204   11.671  16.309 1.00 32.78 ? 25  CYS A SG  1 
ATOM   190  N N   . TRP A 1 26  ? 2.166   9.146   14.770 1.00 23.50 ? 26  TRP A N   1 
ATOM   191  C CA  . TRP A 1 26  ? 1.797   7.790   15.141 1.00 26.76 ? 26  TRP A CA  1 
ATOM   192  C C   . TRP A 1 26  ? 1.632   6.906   13.913 1.00 25.25 ? 26  TRP A C   1 
ATOM   193  O O   . TRP A 1 26  ? 2.008   5.731   13.936 1.00 24.16 ? 26  TRP A O   1 
ATOM   194  C CB  . TRP A 1 26  ? 0.510   7.824   15.954 1.00 27.79 ? 26  TRP A CB  1 
ATOM   195  C CG  . TRP A 1 26  ? -0.599  8.543   15.254 1.00 23.36 ? 26  TRP A CG  1 
ATOM   196  C CD1 . TRP A 1 26  ? -0.805  9.900   15.191 1.00 27.84 ? 26  TRP A CD1 1 
ATOM   197  C CD2 . TRP A 1 26  ? -1.651  7.940   14.495 1.00 24.47 ? 26  TRP A CD2 1 
ATOM   198  N NE1 . TRP A 1 26  ? -1.946  10.168  14.448 1.00 26.81 ? 26  TRP A NE1 1 
ATOM   199  C CE2 . TRP A 1 26  ? -2.476  8.977   14.014 1.00 27.54 ? 26  TRP A CE2 1 
ATOM   200  C CE3 . TRP A 1 26  ? -1.981  6.620   14.187 1.00 25.61 ? 26  TRP A CE3 1 
ATOM   201  C CZ2 . TRP A 1 26  ? -3.604  8.732   13.238 1.00 26.09 ? 26  TRP A CZ2 1 
ATOM   202  C CZ3 . TRP A 1 26  ? -3.115  6.381   13.413 1.00 27.13 ? 26  TRP A CZ3 1 
ATOM   203  C CH2 . TRP A 1 26  ? -3.907  7.431   12.958 1.00 27.79 ? 26  TRP A CH2 1 
ATOM   204  N N   . ALA A 1 27  ? 1.083   7.455   12.819 1.00 24.01 ? 27  ALA A N   1 
ATOM   205  C CA  . ALA A 1 27  ? 0.930   6.660   11.608 1.00 23.26 ? 27  ALA A CA  1 
ATOM   206  C C   . ALA A 1 27  ? 2.255   6.486   10.887 1.00 22.78 ? 27  ALA A C   1 
ATOM   207  O O   . ALA A 1 27  ? 2.540   5.410   10.368 1.00 21.82 ? 27  ALA A O   1 
ATOM   208  C CB  . ALA A 1 27  ? -0.080  7.301   10.657 1.00 21.78 ? 27  ALA A CB  1 
ATOM   209  N N   . PHE A 1 28  ? 3.056   7.544   10.819 1.00 21.92 ? 28  PHE A N   1 
ATOM   210  C CA  . PHE A 1 28  ? 4.374   7.426   10.203 1.00 19.72 ? 28  PHE A CA  1 
ATOM   211  C C   . PHE A 1 28  ? 5.220   6.417   10.948 1.00 19.46 ? 28  PHE A C   1 
ATOM   212  O O   . PHE A 1 28  ? 5.866   5.561   10.329 1.00 25.02 ? 28  PHE A O   1 
ATOM   213  C CB  . PHE A 1 28  ? 5.038   8.796   10.158 1.00 22.86 ? 28  PHE A CB  1 
ATOM   214  C CG  . PHE A 1 28  ? 4.572   9.600   8.994  1.00 22.77 ? 28  PHE A CG  1 
ATOM   215  C CD1 . PHE A 1 28  ? 3.370   10.283  9.058  1.00 25.68 ? 28  PHE A CD1 1 
ATOM   216  C CD2 . PHE A 1 28  ? 5.286   9.611   7.810  1.00 24.19 ? 28  PHE A CD2 1 
ATOM   217  C CE1 . PHE A 1 28  ? 2.888   10.991  7.958  1.00 23.74 ? 28  PHE A CE1 1 
ATOM   218  C CE2 . PHE A 1 28  ? 4.812   10.319  6.715  1.00 24.59 ? 28  PHE A CE2 1 
ATOM   219  C CZ  . PHE A 1 28  ? 3.617   11.022  6.801  1.00 24.28 ? 28  PHE A CZ  1 
ATOM   220  N N   . SER A 1 29  ? 5.187   6.486   12.286 1.00 20.69 ? 29  SER A N   1 
ATOM   221  C CA  . SER A 1 29  ? 5.924   5.546   13.120 1.00 23.22 ? 29  SER A CA  1 
ATOM   222  C C   . SER A 1 29  ? 5.492   4.115   12.839 1.00 26.03 ? 29  SER A C   1 
ATOM   223  O O   . SER A 1 29  ? 6.329   3.231   12.598 1.00 23.23 ? 29  SER A O   1 
ATOM   224  C CB  . SER A 1 29  ? 5.699   5.905   14.583 1.00 24.74 ? 29  SER A CB  1 
ATOM   225  O OG  . SER A 1 29  ? 6.193   4.900   15.450 1.00 27.81 ? 29  SER A OG  1 
ATOM   226  N N   . ALA A 1 30  ? 4.179   3.873   12.851 1.00 24.14 ? 30  ALA A N   1 
ATOM   227  C CA  . ALA A 1 30  ? 3.686   2.524   12.598 1.00 22.99 ? 30  ALA A CA  1 
ATOM   228  C C   . ALA A 1 30  ? 4.137   2.022   11.235 1.00 25.49 ? 30  ALA A C   1 
ATOM   229  O O   . ALA A 1 30  ? 4.583   0.876   11.105 1.00 26.06 ? 30  ALA A O   1 
ATOM   230  C CB  . ALA A 1 30  ? 2.161   2.486   12.710 1.00 25.12 ? 30  ALA A CB  1 
ATOM   231  N N   . VAL A 1 31  ? 4.061   2.878   10.213 1.00 25.60 ? 31  VAL A N   1 
ATOM   232  C CA  . VAL A 1 31  ? 4.395   2.449   8.860  1.00 21.88 ? 31  VAL A CA  1 
ATOM   233  C C   . VAL A 1 31  ? 5.862   2.046   8.758  1.00 22.35 ? 31  VAL A C   1 
ATOM   234  O O   . VAL A 1 31  ? 6.204   1.073   8.067  1.00 26.13 ? 31  VAL A O   1 
ATOM   235  C CB  . VAL A 1 31  ? 4.031   3.545   7.839  1.00 24.32 ? 31  VAL A CB  1 
ATOM   236  C CG1 . VAL A 1 31  ? 4.798   3.319   6.511  1.00 24.97 ? 31  VAL A CG1 1 
ATOM   237  C CG2 . VAL A 1 31  ? 2.529   3.548   7.585  1.00 24.44 ? 31  VAL A CG2 1 
ATOM   238  N N   . VAL A 1 32  ? 6.756   2.783   9.421  1.00 23.40 ? 32  VAL A N   1 
ATOM   239  C CA  . VAL A 1 32  ? 8.164   2.385   9.374  1.00 22.07 ? 32  VAL A CA  1 
ATOM   240  C C   . VAL A 1 32  ? 8.317   0.947   9.839  1.00 22.34 ? 32  VAL A C   1 
ATOM   241  O O   . VAL A 1 32  ? 9.045   0.146   9.234  1.00 24.73 ? 32  VAL A O   1 
ATOM   242  C CB  . VAL A 1 32  ? 9.033   3.318   10.235 1.00 24.57 ? 32  VAL A CB  1 
ATOM   243  C CG1 . VAL A 1 32  ? 10.471  2.775   10.261 1.00 26.32 ? 32  VAL A CG1 1 
ATOM   244  C CG2 . VAL A 1 32  ? 9.003   4.743   9.701  1.00 21.15 ? 32  VAL A CG2 1 
ATOM   245  N N   . THR A 1 33  ? 7.627   0.590   10.923 1.00 23.68 ? 33  THR A N   1 
ATOM   246  C CA  . THR A 1 33  ? 7.774   -0.766  11.424 1.00 24.22 ? 33  THR A CA  1 
ATOM   247  C C   . THR A 1 33  ? 7.147   -1.770  10.466 1.00 25.17 ? 33  THR A C   1 
ATOM   248  O O   . THR A 1 33  ? 7.666   -2.875  10.311 1.00 26.93 ? 33  THR A O   1 
ATOM   249  C CB  . THR A 1 33  ? 7.173   -0.891  12.820 1.00 23.85 ? 33  THR A CB  1 
ATOM   250  O OG1 . THR A 1 33  ? 5.744   -0.822  12.734 1.00 25.52 ? 33  THR A OG1 1 
ATOM   251  C CG2 . THR A 1 33  ? 7.708   0.190   13.771 1.00 24.84 ? 33  THR A CG2 1 
ATOM   252  N N   . ILE A 1 34  ? 6.062   -1.392  9.780  1.00 24.41 ? 34  ILE A N   1 
ATOM   253  C CA  . ILE A 1 34  ? 5.477   -2.283  8.785  1.00 22.06 ? 34  ILE A CA  1 
ATOM   254  C C   . ILE A 1 34  ? 6.406   -2.435  7.591  1.00 26.16 ? 34  ILE A C   1 
ATOM   255  O O   . ILE A 1 34  ? 6.673   -3.552  7.133  1.00 25.41 ? 34  ILE A O   1 
ATOM   256  C CB  . ILE A 1 34  ? 4.080   -1.779  8.381  1.00 25.94 ? 34  ILE A CB  1 
ATOM   257  C CG1 . ILE A 1 34  ? 3.228   -1.712  9.639  1.00 23.91 ? 34  ILE A CG1 1 
ATOM   258  C CG2 . ILE A 1 34  ? 3.463   -2.669  7.257  1.00 25.44 ? 34  ILE A CG2 1 
ATOM   259  C CD1 . ILE A 1 34  ? 2.000   -0.890  9.486  1.00 34.50 ? 34  ILE A CD1 1 
ATOM   260  N N   . GLU A 1 35  ? 6.948   -1.325  7.085  1.00 25.54 ? 35  GLU A N   1 
ATOM   261  C CA  . GLU A 1 35  ? 7.911   -1.425  5.993  1.00 25.46 ? 35  GLU A CA  1 
ATOM   262  C C   . GLU A 1 35  ? 9.085   -2.306  6.376  1.00 27.96 ? 35  GLU A C   1 
ATOM   263  O O   . GLU A 1 35  ? 9.537   -3.137  5.576  1.00 28.81 ? 35  GLU A O   1 
ATOM   264  C CB  . GLU A 1 35  ? 8.391   -0.032  5.595  1.00 21.60 ? 35  GLU A CB  1 
ATOM   265  C CG  . GLU A 1 35  ? 7.232   0.771   5.033  1.00 22.30 ? 35  GLU A CG  1 
ATOM   266  C CD  . GLU A 1 35  ? 7.571   2.214   4.832  1.00 25.83 ? 35  GLU A CD  1 
ATOM   267  O OE1 . GLU A 1 35  ? 8.582   2.686   5.418  1.00 23.95 ? 35  GLU A OE1 1 
ATOM   268  O OE2 . GLU A 1 35  ? 6.786   2.881   4.127  1.00 24.99 ? 35  GLU A OE2 1 
ATOM   269  N N   . GLY A 1 36  ? 9.588   -2.136  7.597  1.00 22.80 ? 36  GLY A N   1 
ATOM   270  C CA  . GLY A 1 36  ? 10.709  -2.941  8.043  1.00 25.66 ? 36  GLY A CA  1 
ATOM   271  C C   . GLY A 1 36  ? 10.379  -4.418  8.105  1.00 26.79 ? 36  GLY A C   1 
ATOM   272  O O   . GLY A 1 36  ? 11.096  -5.247  7.538  1.00 32.78 ? 36  GLY A O   1 
ATOM   273  N N   . ILE A 1 37  ? 9.299   -4.770  8.806  1.00 27.10 ? 37  ILE A N   1 
ATOM   274  C CA  . ILE A 1 37  ? 9.011   -6.189  9.009  1.00 26.15 ? 37  ILE A CA  1 
ATOM   275  C C   . ILE A 1 37  ? 8.630   -6.885  7.703  1.00 34.46 ? 37  ILE A C   1 
ATOM   276  O O   . ILE A 1 37  ? 8.939   -8.071  7.525  1.00 31.89 ? 37  ILE A O   1 
ATOM   277  C CB  . ILE A 1 37  ? 7.934   -6.380  10.093 1.00 25.44 ? 37  ILE A CB  1 
ATOM   278  C CG1 . ILE A 1 37  ? 7.972   -7.825  10.609 1.00 38.15 ? 37  ILE A CG1 1 
ATOM   279  C CG2 . ILE A 1 37  ? 6.532   -6.037  9.573  1.00 30.82 ? 37  ILE A CG2 1 
ATOM   280  C CD1 . ILE A 1 37  ? 9.310   -8.221  11.185 1.00 36.00 ? 37  ILE A CD1 1 
ATOM   281  N N   . ILE A 1 38  ? 7.986   -6.180  6.761  1.00 30.33 ? 38  ILE A N   1 
ATOM   282  C CA  . ILE A 1 38  ? 7.696   -6.813  5.469  1.00 32.19 ? 38  ILE A CA  1 
ATOM   283  C C   . ILE A 1 38  ? 8.984   -7.098  4.708  1.00 32.03 ? 38  ILE A C   1 
ATOM   284  O O   . ILE A 1 38  ? 9.135   -8.165  4.100  1.00 35.03 ? 38  ILE A O   1 
ATOM   285  C CB  . ILE A 1 38  ? 6.727   -5.956  4.631  1.00 31.95 ? 38  ILE A CB  1 
ATOM   286  C CG1 . ILE A 1 38  ? 5.362   -5.898  5.296  1.00 31.64 ? 38  ILE A CG1 1 
ATOM   287  C CG2 . ILE A 1 38  ? 6.609   -6.520  3.215  1.00 32.74 ? 38  ILE A CG2 1 
ATOM   288  C CD1 . ILE A 1 38  ? 4.747   -7.263  5.537  1.00 37.84 ? 38  ILE A CD1 1 
ATOM   289  N N   . LYS A 1 39  ? 9.941   -6.166  4.733  1.00 29.43 ? 39  LYS A N   1 
ATOM   290  C CA  . LYS A 1 39  ? 11.203  -6.432  4.056  1.00 31.72 ? 39  LYS A CA  1 
ATOM   291  C C   . LYS A 1 39  ? 11.940  -7.576  4.722  1.00 34.01 ? 39  LYS A C   1 
ATOM   292  O O   . LYS A 1 39  ? 12.506  -8.435  4.035  1.00 34.07 ? 39  LYS A O   1 
ATOM   293  C CB  . LYS A 1 39  ? 12.091  -5.191  4.023  1.00 34.21 ? 39  LYS A CB  1 
ATOM   294  C CG  . LYS A 1 39  ? 13.575  -5.530  3.890  1.00 35.05 ? 39  LYS A CG  1 
ATOM   295  C CD  . LYS A 1 39  ? 14.070  -5.327  2.475  1.00 41.09 ? 39  LYS A CD  1 
ATOM   296  C CE  . LYS A 1 39  ? 15.378  -6.082  2.216  1.00 38.23 ? 39  LYS A CE  1 
ATOM   297  N NZ  . LYS A 1 39  ? 15.529  -6.433  0.778  1.00 44.48 ? 39  LYS A NZ  1 
ATOM   298  N N   . ILE A 1 40  ? 11.925  -7.609  6.058  1.00 32.40 ? 40  ILE A N   1 
ATOM   299  C CA  . ILE A 1 40  ? 12.638  -8.645  6.796  1.00 32.00 ? 40  ILE A CA  1 
ATOM   300  C C   . ILE A 1 40  ? 12.069  -10.016 6.458  1.00 40.16 ? 40  ILE A C   1 
ATOM   301  O O   . ILE A 1 40  ? 12.813  -10.957 6.166  1.00 37.26 ? 40  ILE A O   1 
ATOM   302  C CB  . ILE A 1 40  ? 12.581  -8.355  8.306  1.00 36.90 ? 40  ILE A CB  1 
ATOM   303  C CG1 . ILE A 1 40  ? 13.483  -7.152  8.623  1.00 29.82 ? 40  ILE A CG1 1 
ATOM   304  C CG2 . ILE A 1 40  ? 12.974  -9.600  9.125  1.00 39.27 ? 40  ILE A CG2 1 
ATOM   305  C CD1 . ILE A 1 40  ? 13.196  -6.493  9.983  1.00 30.58 ? 40  ILE A CD1 1 
ATOM   306  N N   . ARG A 1 41  ? 10.735  -10.132 6.436  1.00 35.70 ? 41  ARG A N   1 
ATOM   307  C CA  . ARG A 1 41  ? 10.105  -11.426 6.182  1.00 39.87 ? 41  ARG A CA  1 
ATOM   308  C C   . ARG A 1 41  ? 10.091  -11.805 4.707  1.00 41.48 ? 41  ARG A C   1 
ATOM   309  O O   . ARG A 1 41  ? 10.295  -12.978 4.372  1.00 46.99 ? 41  ARG A O   1 
ATOM   310  C CB  . ARG A 1 41  ? 8.681   -11.441 6.726  1.00 36.56 ? 41  ARG A CB  1 
ATOM   311  C CG  . ARG A 1 41  ? 8.651   -11.314 8.209  1.00 48.44 ? 41  ARG A CG  1 
ATOM   312  C CD  . ARG A 1 41  ? 8.821   -12.686 8.848  1.00 49.02 ? 41  ARG A CD  1 
ATOM   313  N NE  . ARG A 1 41  ? 8.624   -12.575 10.286 1.00 56.32 ? 41  ARG A NE  1 
ATOM   314  C CZ  . ARG A 1 41  ? 9.597   -12.316 11.147 1.00 52.67 ? 41  ARG A CZ  1 
ATOM   315  N NH1 . ARG A 1 41  ? 10.858  -12.228 10.755 1.00 54.41 ? 41  ARG A NH1 1 
ATOM   316  N NH2 . ARG A 1 41  ? 9.296   -12.131 12.429 1.00 53.36 ? 41  ARG A NH2 1 
ATOM   317  N N   . THR A 1 42  ? 9.829   -10.854 3.811  1.00 39.72 ? 42  THR A N   1 
ATOM   318  C CA  . THR A 1 42  ? 9.603   -11.186 2.414  1.00 36.84 ? 42  THR A CA  1 
ATOM   319  C C   . THR A 1 42  ? 10.740  -10.784 1.492  1.00 42.26 ? 42  THR A C   1 
ATOM   320  O O   . THR A 1 42  ? 10.762  -11.232 0.342  1.00 42.80 ? 42  THR A O   1 
ATOM   321  C CB  . THR A 1 42  ? 8.310   -10.535 1.915  1.00 37.96 ? 42  THR A CB  1 
ATOM   322  O OG1 . THR A 1 42  ? 8.540   -9.134  1.699  1.00 36.03 ? 42  THR A OG1 1 
ATOM   323  C CG2 . THR A 1 42  ? 7.215   -10.721 2.949  1.00 41.29 ? 42  THR A CG2 1 
ATOM   324  N N   . GLY A 1 43  ? 11.678  -9.961  1.956  1.00 38.55 ? 43  GLY A N   1 
ATOM   325  C CA  . GLY A 1 43  ? 12.769  -9.507  1.124  1.00 37.06 ? 43  GLY A CA  1 
ATOM   326  C C   . GLY A 1 43  ? 12.462  -8.303  0.265  1.00 36.90 ? 43  GLY A C   1 
ATOM   327  O O   . GLY A 1 43  ? 13.380  -7.765  -0.370 1.00 37.91 ? 43  GLY A O   1 
ATOM   328  N N   . ASN A 1 44  ? 11.209  -7.863  0.216  1.00 35.56 ? 44  ASN A N   1 
ATOM   329  C CA  . ASN A 1 44  ? 10.807  -6.715  -0.584 1.00 34.51 ? 44  ASN A CA  1 
ATOM   330  C C   . ASN A 1 44  ? 10.647  -5.508  0.324  1.00 34.05 ? 44  ASN A C   1 
ATOM   331  O O   . ASN A 1 44  ? 9.938   -5.578  1.333  1.00 33.26 ? 44  ASN A O   1 
ATOM   332  C CB  . ASN A 1 44  ? 9.488   -6.990  -1.298 1.00 42.86 ? 44  ASN A CB  1 
ATOM   333  C CG  . ASN A 1 44  ? 9.590   -8.139  -2.257 1.00 43.28 ? 44  ASN A CG  1 
ATOM   334  O OD1 . ASN A 1 44  ? 10.536  -8.221  -3.045 1.00 51.06 ? 44  ASN A OD1 1 
ATOM   335  N ND2 . ASN A 1 44  ? 8.634   -9.058  -2.179 1.00 47.45 ? 44  ASN A ND2 1 
ATOM   336  N N   . LEU A 1 45  ? 11.280  -4.406  -0.053 1.00 35.47 ? 45  LEU A N   1 
ATOM   337  C CA  . LEU A 1 45  ? 11.078  -3.122  0.602  1.00 34.89 ? 45  LEU A CA  1 
ATOM   338  C C   . LEU A 1 45  ? 10.022  -2.345  -0.175 1.00 36.03 ? 45  LEU A C   1 
ATOM   339  O O   . LEU A 1 45  ? 10.243  -1.956  -1.327 1.00 29.69 ? 45  LEU A O   1 
ATOM   340  C CB  . LEU A 1 45  ? 12.377  -2.335  0.671  1.00 29.32 ? 45  LEU A CB  1 
ATOM   341  C CG  . LEU A 1 45  ? 12.246  -1.011  1.420  1.00 30.51 ? 45  LEU A CG  1 
ATOM   342  C CD1 . LEU A 1 45  ? 11.883  -1.292  2.858  1.00 26.92 ? 45  LEU A CD1 1 
ATOM   343  C CD2 . LEU A 1 45  ? 13.518  -0.196  1.313  1.00 32.43 ? 45  LEU A CD2 1 
ATOM   344  N N   . ASN A 1 46  ? 8.885   -2.110  0.457  1.00 29.16 ? 46  ASN A N   1 
ATOM   345  C CA  . ASN A 1 46  ? 7.811   -1.321  -0.127 1.00 30.14 ? 46  ASN A CA  1 
ATOM   346  C C   . ASN A 1 46  ? 7.471   -0.182  0.814  1.00 30.24 ? 46  ASN A C   1 
ATOM   347  O O   . ASN A 1 46  ? 7.774   -0.238  2.002  1.00 30.84 ? 46  ASN A O   1 
ATOM   348  C CB  . ASN A 1 46  ? 6.571   -2.160  -0.354 1.00 28.41 ? 46  ASN A CB  1 
ATOM   349  C CG  . ASN A 1 46  ? 6.846   -3.351  -1.244 1.00 34.92 ? 46  ASN A CG  1 
ATOM   350  O OD1 . ASN A 1 46  ? 6.772   -4.500  -0.813 1.00 42.66 ? 46  ASN A OD1 1 
ATOM   351  N ND2 . ASN A 1 46  ? 7.164   -3.075  -2.492 1.00 35.14 ? 46  ASN A ND2 1 
ATOM   352  N N   . GLU A 1 47  ? 6.833   0.848   0.272  1.00 25.71 ? 47  GLU A N   1 
ATOM   353  C CA  . GLU A 1 47  ? 6.325   1.929   1.100  1.00 28.30 ? 47  GLU A CA  1 
ATOM   354  C C   . GLU A 1 47  ? 4.848   1.700   1.316  1.00 27.18 ? 47  GLU A C   1 
ATOM   355  O O   . GLU A 1 47  ? 4.125   1.363   0.376  1.00 27.86 ? 47  GLU A O   1 
ATOM   356  C CB  . GLU A 1 47  ? 6.544   3.271   0.422  1.00 25.45 ? 47  GLU A CB  1 
ATOM   357  C CG  . GLU A 1 47  ? 7.977   3.621   0.407  1.00 26.26 ? 47  GLU A CG  1 
ATOM   358  C CD  . GLU A 1 47  ? 8.205   4.982   -0.166 1.00 29.20 ? 47  GLU A CD  1 
ATOM   359  O OE1 . GLU A 1 47  ? 7.610   5.279   -1.227 1.00 35.38 ? 47  GLU A OE1 1 
ATOM   360  O OE2 . GLU A 1 47  ? 9.011   5.729   0.391  1.00 28.34 ? 47  GLU A OE2 1 
ATOM   361  N N   . TYR A 1 48  ? 4.401   1.896   2.541  1.00 21.05 ? 48  TYR A N   1 
ATOM   362  C CA  . TYR A 1 48  ? 2.999   1.698   2.866  1.00 22.86 ? 48  TYR A CA  1 
ATOM   363  C C   . TYR A 1 48  ? 2.383   3.022   3.286  1.00 24.39 ? 48  TYR A C   1 
ATOM   364  O O   . TYR A 1 48  ? 3.066   4.033   3.467  1.00 23.47 ? 48  TYR A O   1 
ATOM   365  C CB  . TYR A 1 48  ? 2.849   0.611   3.938  1.00 24.48 ? 48  TYR A CB  1 
ATOM   366  C CG  . TYR A 1 48  ? 3.319   -0.712  3.377  1.00 26.80 ? 48  TYR A CG  1 
ATOM   367  C CD1 . TYR A 1 48  ? 2.565   -1.379  2.421  1.00 29.62 ? 48  TYR A CD1 1 
ATOM   368  C CD2 . TYR A 1 48  ? 4.537   -1.261  3.764  1.00 27.75 ? 48  TYR A CD2 1 
ATOM   369  C CE1 . TYR A 1 48  ? 2.985   -2.573  1.894  1.00 28.24 ? 48  TYR A CE1 1 
ATOM   370  C CE2 . TYR A 1 48  ? 4.980   -2.459  3.243  1.00 25.81 ? 48  TYR A CE2 1 
ATOM   371  C CZ  . TYR A 1 48  ? 4.195   -3.110  2.303  1.00 35.08 ? 48  TYR A CZ  1 
ATOM   372  O OH  . TYR A 1 48  ? 4.618   -4.300  1.762  1.00 32.67 ? 48  TYR A OH  1 
ATOM   373  N N   . SER A 1 49  ? 1.062   3.015   3.391  1.00 26.51 ? 49  SER A N   1 
ATOM   374  C CA  . SER A 1 49  ? 0.280   4.243   3.454  1.00 26.39 ? 49  SER A CA  1 
ATOM   375  C C   . SER A 1 49  ? 0.122   4.709   4.893  1.00 24.36 ? 49  SER A C   1 
ATOM   376  O O   . SER A 1 49  ? -0.650  4.128   5.661  1.00 26.14 ? 49  SER A O   1 
ATOM   377  C CB  . SER A 1 49  ? -1.091  4.031   2.810  1.00 23.84 ? 49  SER A CB  1 
ATOM   378  O OG  . SER A 1 49  ? -1.818  5.228   2.881  1.00 24.41 ? 49  SER A OG  1 
ATOM   379  N N   . GLU A 1 50  ? 0.800   5.807   5.243  1.00 22.44 ? 50  GLU A N   1 
ATOM   380  C CA  . GLU A 1 50  ? 0.460   6.510   6.474  1.00 23.22 ? 50  GLU A CA  1 
ATOM   381  C C   . GLU A 1 50  ? -0.949  7.068   6.399  1.00 24.02 ? 50  GLU A C   1 
ATOM   382  O O   . GLU A 1 50  ? -1.673  7.110   7.403  1.00 21.10 ? 50  GLU A O   1 
ATOM   383  C CB  . GLU A 1 50  ? 1.454   7.647   6.730  1.00 28.08 ? 50  GLU A CB  1 
ATOM   384  C CG  . GLU A 1 50  ? 2.897   7.171   6.875  1.00 24.47 ? 50  GLU A CG  1 
ATOM   385  C CD  . GLU A 1 50  ? 3.635   7.096   5.566  1.00 28.54 ? 50  GLU A CD  1 
ATOM   386  O OE1 . GLU A 1 50  ? 3.008   7.316   4.500  1.00 25.03 ? 50  GLU A OE1 1 
ATOM   387  O OE2 . GLU A 1 50  ? 4.846   6.809   5.605  1.00 27.59 ? 50  GLU A OE2 1 
ATOM   388  N N   . GLN A 1 51  ? -1.349  7.509   5.207  1.00 22.14 ? 51  GLN A N   1 
ATOM   389  C CA  . GLN A 1 51  ? -2.647  8.147   5.041  1.00 23.18 ? 51  GLN A CA  1 
ATOM   390  C C   . GLN A 1 51  ? -3.769  7.183   5.392  1.00 23.95 ? 51  GLN A C   1 
ATOM   391  O O   . GLN A 1 51  ? -4.775  7.571   5.996  1.00 26.06 ? 51  GLN A O   1 
ATOM   392  C CB  . GLN A 1 51  ? -2.802  8.646   3.601  1.00 25.82 ? 51  GLN A CB  1 
ATOM   393  C CG  . GLN A 1 51  ? -4.145  9.344   3.348  1.00 24.13 ? 51  GLN A CG  1 
ATOM   394  C CD  . GLN A 1 51  ? -4.192  10.708  3.982  1.00 24.33 ? 51  GLN A CD  1 
ATOM   395  O OE1 . GLN A 1 51  ? -3.192  11.406  4.018  1.00 23.53 ? 51  GLN A OE1 1 
ATOM   396  N NE2 . GLN A 1 51  ? -5.359  11.089  4.529  1.00 27.78 ? 51  GLN A NE2 1 
ATOM   397  N N   . GLU A 1 52  ? -3.612  5.926   5.007  1.00 24.35 ? 52  GLU A N   1 
ATOM   398  C CA  . GLU A 1 52  ? -4.634  4.936   5.300  1.00 25.81 ? 52  GLU A CA  1 
ATOM   399  C C   . GLU A 1 52  ? -4.847  4.799   6.796  1.00 27.28 ? 52  GLU A C   1 
ATOM   400  O O   . GLU A 1 52  ? -5.987  4.693   7.259  1.00 27.57 ? 52  GLU A O   1 
ATOM   401  C CB  . GLU A 1 52  ? -4.233  3.604   4.698  1.00 25.71 ? 52  GLU A CB  1 
ATOM   402  C CG  . GLU A 1 52  ? -5.283  2.539   4.830  1.00 26.35 ? 52  GLU A CG  1 
ATOM   403  C CD  . GLU A 1 52  ? -5.019  1.454   3.846  1.00 26.60 ? 52  GLU A CD  1 
ATOM   404  O OE1 . GLU A 1 52  ? -3.834  1.247   3.519  1.00 29.50 ? 52  GLU A OE1 1 
ATOM   405  O OE2 . GLU A 1 52  ? -5.985  0.835   3.362  1.00 35.03 ? 52  GLU A OE2 1 
ATOM   406  N N   . LEU A 1 53  ? -3.760  4.792   7.573  1.00 27.32 ? 53  LEU A N   1 
ATOM   407  C CA  . LEU A 1 53  ? -3.931  4.675   9.017  1.00 24.18 ? 53  LEU A CA  1 
ATOM   408  C C   . LEU A 1 53  ? -4.560  5.933   9.566  1.00 27.00 ? 53  LEU A C   1 
ATOM   409  O O   . LEU A 1 53  ? -5.471  5.883   10.397 1.00 28.54 ? 53  LEU A O   1 
ATOM   410  C CB  . LEU A 1 53  ? -2.590  4.419   9.691  1.00 27.28 ? 53  LEU A CB  1 
ATOM   411  C CG  . LEU A 1 53  ? -1.858  3.194   9.151  1.00 27.84 ? 53  LEU A CG  1 
ATOM   412  C CD1 . LEU A 1 53  ? -0.476  3.084   9.799  1.00 24.31 ? 53  LEU A CD1 1 
ATOM   413  C CD2 . LEU A 1 53  ? -2.695  1.942   9.374  1.00 32.20 ? 53  LEU A CD2 1 
ATOM   414  N N   . LEU A 1 54  ? -4.107  7.070   9.060  1.00 23.56 ? 54  LEU A N   1 
ATOM   415  C CA  . LEU A 1 54  ? -4.651  8.354   9.450  1.00 24.20 ? 54  LEU A CA  1 
ATOM   416  C C   . LEU A 1 54  ? -6.160  8.378   9.247  1.00 27.41 ? 54  LEU A C   1 
ATOM   417  O O   . LEU A 1 54  ? -6.918  8.797   10.129 1.00 28.87 ? 54  LEU A O   1 
ATOM   418  C CB  . LEU A 1 54  ? -3.964  9.435   8.604  1.00 23.90 ? 54  LEU A CB  1 
ATOM   419  C CG  . LEU A 1 54  ? -4.287  10.891  8.863  1.00 30.91 ? 54  LEU A CG  1 
ATOM   420  C CD1 . LEU A 1 54  ? -3.963  11.143  10.312 1.00 33.69 ? 54  LEU A CD1 1 
ATOM   421  C CD2 . LEU A 1 54  ? -3.440  11.782  7.970  1.00 27.55 ? 54  LEU A CD2 1 
ATOM   422  N N   . ASP A 1 55  ? -6.615  7.917   8.080  1.00 24.81 ? 55  ASP A N   1 
ATOM   423  C CA  . ASP A 1 55  ? -8.036  7.940   7.747  1.00 24.51 ? 55  ASP A CA  1 
ATOM   424  C C   . ASP A 1 55  ? -8.819  6.847   8.453  1.00 28.44 ? 55  ASP A C   1 
ATOM   425  O O   . ASP A 1 55  ? -10.001 7.032   8.754  1.00 31.35 ? 55  ASP A O   1 
ATOM   426  C CB  . ASP A 1 55  ? -8.231  7.710   6.257  1.00 26.60 ? 55  ASP A CB  1 
ATOM   427  C CG  . ASP A 1 55  ? -7.722  8.847   5.410  1.00 24.88 ? 55  ASP A CG  1 
ATOM   428  O OD1 . ASP A 1 55  ? -7.490  9.944   5.941  1.00 26.11 ? 55  ASP A OD1 1 
ATOM   429  O OD2 . ASP A 1 55  ? -7.529  8.596   4.211  1.00 27.80 ? 55  ASP A OD2 1 
ATOM   430  N N   . CYS A 1 56  ? -8.203  5.691   8.661  1.00 23.82 ? 56  CYS A N   1 
ATOM   431  C CA  . CYS A 1 56  ? -8.960  4.490   8.990  1.00 27.99 ? 56  CYS A CA  1 
ATOM   432  C C   . CYS A 1 56  ? -8.854  4.041   10.433 1.00 33.80 ? 56  CYS A C   1 
ATOM   433  O O   . CYS A 1 56  ? -9.654  3.196   10.847 1.00 30.94 ? 56  CYS A O   1 
ATOM   434  C CB  . CYS A 1 56  ? -8.522  3.325   8.101  1.00 26.19 ? 56  CYS A CB  1 
ATOM   435  S SG  . CYS A 1 56  ? -8.703  3.707   6.361  1.00 29.12 ? 56  CYS A SG  1 
ATOM   436  N N   . ASP A 1 57  ? -7.885  4.531   11.202 1.00 31.05 ? 57  ASP A N   1 
ATOM   437  C CA  . ASP A 1 57  ? -7.754  4.018   12.566 1.00 31.80 ? 57  ASP A CA  1 
ATOM   438  C C   . ASP A 1 57  ? -8.699  4.859   13.418 1.00 31.08 ? 57  ASP A C   1 
ATOM   439  O O   . ASP A 1 57  ? -8.401  6.000   13.771 1.00 29.18 ? 57  ASP A O   1 
ATOM   440  C CB  . ASP A 1 57  ? -6.302  4.068   13.034 1.00 31.01 ? 57  ASP A CB  1 
ATOM   441  C CG  . ASP A 1 57  ? -6.149  3.855   14.535 1.00 38.22 ? 57  ASP A CG  1 
ATOM   442  O OD1 . ASP A 1 57  ? -7.137  3.462   15.195 1.00 35.38 ? 57  ASP A OD1 1 
ATOM   443  O OD2 . ASP A 1 57  ? -5.029  4.045   15.054 1.00 32.98 ? 57  ASP A OD2 1 
ATOM   444  N N   . ARG A 1 58  ? -9.860  4.284   13.748 1.00 30.74 ? 58  ARG A N   1 
ATOM   445  C CA  . ARG A 1 58  ? -10.895 4.983   14.496 1.00 36.00 ? 58  ARG A CA  1 
ATOM   446  C C   . ARG A 1 58  ? -10.564 5.161   15.976 1.00 35.22 ? 58  ARG A C   1 
ATOM   447  O O   . ARG A 1 58  ? -11.239 5.951   16.647 1.00 38.11 ? 58  ARG A O   1 
ATOM   448  C CB  . ARG A 1 58  ? -12.210 4.228   14.330 1.00 37.01 ? 58  ARG A CB  1 
ATOM   449  C CG  . ARG A 1 58  ? -12.598 4.030   12.870 1.00 37.99 ? 58  ARG A CG  1 
ATOM   450  C CD  . ARG A 1 58  ? -13.856 3.199   12.741 1.00 42.89 ? 58  ARG A CD  1 
ATOM   451  N NE  . ARG A 1 58  ? -13.513 1.781   12.691 1.00 42.72 ? 58  ARG A NE  1 
ATOM   452  C CZ  . ARG A 1 58  ? -14.358 0.808   12.378 1.00 49.70 ? 58  ARG A CZ  1 
ATOM   453  N NH1 . ARG A 1 58  ? -15.619 1.060   12.058 1.00 45.53 ? 58  ARG A NH1 1 
ATOM   454  N NH2 . ARG A 1 58  ? -13.927 -0.452  12.386 1.00 50.11 ? 58  ARG A NH2 1 
ATOM   455  N N   . ARG A 1 59  ? -9.539  4.479   16.498 1.00 33.05 ? 59  ARG A N   1 
ATOM   456  C CA  . ARG A 1 59  ? -9.100  4.741   17.870 1.00 31.62 ? 59  ARG A CA  1 
ATOM   457  C C   . ARG A 1 59  ? -8.194  5.955   17.969 1.00 39.02 ? 59  ARG A C   1 
ATOM   458  O O   . ARG A 1 59  ? -8.036  6.513   19.059 1.00 38.16 ? 59  ARG A O   1 
ATOM   459  C CB  . ARG A 1 59  ? -8.349  3.545   18.453 1.00 35.93 ? 59  ARG A CB  1 
ATOM   460  C CG  . ARG A 1 59  ? -9.108  2.250   18.403 1.00 48.34 ? 59  ARG A CG  1 
ATOM   461  C CD  . ARG A 1 59  ? -8.254  1.124   18.938 1.00 42.40 ? 59  ARG A CD  1 
ATOM   462  N NE  . ARG A 1 59  ? -9.023  -0.108  19.057 1.00 56.34 ? 59  ARG A NE  1 
ATOM   463  C CZ  . ARG A 1 59  ? -9.709  -0.463  20.134 1.00 61.28 ? 59  ARG A CZ  1 
ATOM   464  N NH1 . ARG A 1 59  ? -9.753  0.306   21.211 1.00 57.00 ? 59  ARG A NH1 1 
ATOM   465  N NH2 . ARG A 1 59  ? -10.374 -1.615  20.128 1.00 65.57 ? 59  ARG A NH2 1 
ATOM   466  N N   . SER A 1 60  ? -7.573  6.357   16.869 1.00 32.11 ? 60  SER A N   1 
ATOM   467  C CA  . SER A 1 60  ? -6.743  7.544   16.870 1.00 32.63 ? 60  SER A CA  1 
ATOM   468  C C   . SER A 1 60  ? -7.561  8.737   16.409 1.00 34.05 ? 60  SER A C   1 
ATOM   469  O O   . SER A 1 60  ? -8.720  8.610   16.006 1.00 32.96 ? 60  SER A O   1 
ATOM   470  C CB  . SER A 1 60  ? -5.516  7.321   15.994 1.00 27.85 ? 60  SER A CB  1 
ATOM   471  O OG  . SER A 1 60  ? -4.718  6.297   16.573 1.00 28.44 ? 60  SER A OG  1 
ATOM   472  N N   . TYR A 1 61  ? -6.946  9.914   16.481 1.00 33.10 ? 61  TYR A N   1 
ATOM   473  C CA  . TYR A 1 61  ? -7.637  11.172  16.240 1.00 35.89 ? 61  TYR A CA  1 
ATOM   474  C C   . TYR A 1 61  ? -7.049  11.917  15.049 1.00 32.49 ? 61  TYR A C   1 
ATOM   475  O O   . TYR A 1 61  ? -6.909  13.144  15.065 1.00 31.87 ? 61  TYR A O   1 
ATOM   476  C CB  . TYR A 1 61  ? -7.635  12.046  17.490 1.00 36.85 ? 61  TYR A CB  1 
ATOM   477  C CG  . TYR A 1 61  ? -7.737  11.248  18.771 1.00 44.65 ? 61  TYR A CG  1 
ATOM   478  C CD1 . TYR A 1 61  ? -6.601  10.753  19.404 1.00 45.77 ? 61  TYR A CD1 1 
ATOM   479  C CD2 . TYR A 1 61  ? -8.977  10.942  19.316 1.00 48.13 ? 61  TYR A CD2 1 
ATOM   480  C CE1 . TYR A 1 61  ? -6.697  10.004  20.562 1.00 50.72 ? 61  TYR A CE1 1 
ATOM   481  C CE2 . TYR A 1 61  ? -9.084  10.187  20.475 1.00 48.24 ? 61  TYR A CE2 1 
ATOM   482  C CZ  . TYR A 1 61  ? -7.940  9.724   21.096 1.00 48.46 ? 61  TYR A CZ  1 
ATOM   483  O OH  . TYR A 1 61  ? -8.033  8.980   22.256 1.00 59.76 ? 61  TYR A OH  1 
ATOM   484  N N   . GLY A 1 62  ? -6.715  11.174  14.003 1.00 30.92 ? 62  GLY A N   1 
ATOM   485  C CA  . GLY A 1 62  ? -6.336  11.797  12.754 1.00 28.61 ? 62  GLY A CA  1 
ATOM   486  C C   . GLY A 1 62  ? -5.107  12.650  12.939 1.00 31.69 ? 62  GLY A C   1 
ATOM   487  O O   . GLY A 1 62  ? -4.093  12.218  13.500 1.00 27.83 ? 62  GLY A O   1 
ATOM   488  N N   . CYS A 1 63  ? -5.186  13.879  12.452 1.00 25.65 ? 63  CYS A N   1 
ATOM   489  C CA  . CYS A 1 63  ? -4.074  14.802  12.582 1.00 24.54 ? 63  CYS A CA  1 
ATOM   490  C C   . CYS A 1 63  ? -3.952  15.374  13.987 1.00 33.35 ? 63  CYS A C   1 
ATOM   491  O O   . CYS A 1 63  ? -3.037  16.162  14.248 1.00 30.34 ? 63  CYS A O   1 
ATOM   492  C CB  . CYS A 1 63  ? -4.227  15.943  11.576 1.00 29.52 ? 63  CYS A CB  1 
ATOM   493  S SG  . CYS A 1 63  ? -3.947  15.401  9.889  1.00 28.87 ? 63  CYS A SG  1 
ATOM   494  N N   . ASN A 1 64  ? -4.854  15.029  14.892 1.00 31.39 ? 64  ASN A N   1 
ATOM   495  C CA  . ASN A 1 64  ? -4.733  15.520  16.256 1.00 35.73 ? 64  ASN A CA  1 
ATOM   496  C C   . ASN A 1 64  ? -3.917  14.580  17.118 1.00 34.16 ? 64  ASN A C   1 
ATOM   497  O O   . ASN A 1 64  ? -3.737  14.835  18.311 1.00 39.24 ? 64  ASN A O   1 
ATOM   498  C CB  . ASN A 1 64  ? -6.117  15.743  16.859 1.00 36.93 ? 64  ASN A CB  1 
ATOM   499  C CG  . ASN A 1 64  ? -6.808  16.952  16.260 1.00 46.87 ? 64  ASN A CG  1 
ATOM   500  O OD1 . ASN A 1 64  ? -6.177  17.976  16.009 1.00 45.05 ? 64  ASN A OD1 1 
ATOM   501  N ND2 . ASN A 1 64  ? -8.094  16.824  15.991 1.00 46.45 ? 64  ASN A ND2 1 
ATOM   502  N N   . GLY A 1 65  ? -3.402  13.512  16.534 1.00 32.48 ? 65  GLY A N   1 
ATOM   503  C CA  . GLY A 1 65  ? -2.617  12.549  17.265 1.00 32.54 ? 65  GLY A CA  1 
ATOM   504  C C   . GLY A 1 65  ? -3.290  11.195  17.287 1.00 31.04 ? 65  GLY A C   1 
ATOM   505  O O   . GLY A 1 65  ? -4.428  11.015  16.856 1.00 32.23 ? 65  GLY A O   1 
ATOM   506  N N   . GLY A 1 66  ? -2.544  10.233  17.793 1.00 27.30 ? 66  GLY A N   1 
ATOM   507  C CA  . GLY A 1 66  ? -3.065  8.891   17.802 1.00 29.66 ? 66  GLY A CA  1 
ATOM   508  C C   . GLY A 1 66  ? -2.073  7.943   18.417 1.00 32.01 ? 66  GLY A C   1 
ATOM   509  O O   . GLY A 1 66  ? -1.076  8.349   19.014 1.00 35.84 ? 66  GLY A O   1 
ATOM   510  N N   . TYR A 1 67  ? -2.349  6.665   18.221 1.00 28.00 ? 67  TYR A N   1 
ATOM   511  C CA  . TYR A 1 67  ? -1.641  5.616   18.932 1.00 31.72 ? 67  TYR A CA  1 
ATOM   512  C C   . TYR A 1 67  ? -0.943  4.727   17.925 1.00 27.85 ? 67  TYR A C   1 
ATOM   513  O O   . TYR A 1 67  ? -1.616  4.125   17.071 1.00 32.71 ? 67  TYR A O   1 
ATOM   514  C CB  . TYR A 1 67  ? -2.604  4.799   19.779 1.00 33.56 ? 67  TYR A CB  1 
ATOM   515  C CG  . TYR A 1 67  ? -3.408  5.656   20.706 1.00 35.76 ? 67  TYR A CG  1 
ATOM   516  C CD1 . TYR A 1 67  ? -2.869  6.087   21.913 1.00 43.72 ? 67  TYR A CD1 1 
ATOM   517  C CD2 . TYR A 1 67  ? -4.710  6.028   20.389 1.00 39.69 ? 67  TYR A CD2 1 
ATOM   518  C CE1 . TYR A 1 67  ? -3.595  6.870   22.774 1.00 44.21 ? 67  TYR A CE1 1 
ATOM   519  C CE2 . TYR A 1 67  ? -5.449  6.813   21.245 1.00 43.75 ? 67  TYR A CE2 1 
ATOM   520  C CZ  . TYR A 1 67  ? -4.886  7.224   22.444 1.00 46.48 ? 67  TYR A CZ  1 
ATOM   521  O OH  . TYR A 1 67  ? -5.606  8.005   23.309 1.00 49.68 ? 67  TYR A OH  1 
ATOM   522  N N   . PRO A 1 68  ? 0.380   4.621   17.981 1.00 28.24 ? 68  PRO A N   1 
ATOM   523  C CA  . PRO A 1 68  ? 1.074   3.637   17.136 1.00 30.15 ? 68  PRO A CA  1 
ATOM   524  C C   . PRO A 1 68  ? 0.527   2.230   17.301 1.00 33.34 ? 68  PRO A C   1 
ATOM   525  O O   . PRO A 1 68  ? 0.434   1.484   16.319 1.00 29.77 ? 68  PRO A O   1 
ATOM   526  C CB  . PRO A 1 68  ? 2.525   3.739   17.624 1.00 31.08 ? 68  PRO A CB  1 
ATOM   527  C CG  . PRO A 1 68  ? 2.637   5.137   18.137 1.00 33.78 ? 68  PRO A CG  1 
ATOM   528  C CD  . PRO A 1 68  ? 1.311   5.418   18.792 1.00 30.59 ? 68  PRO A CD  1 
ATOM   529  N N   . TRP A 1 69  ? 0.176   1.839   18.530 1.00 29.91 ? 69  TRP A N   1 
ATOM   530  C CA  . TRP A 1 69  ? -0.295  0.477   18.751 1.00 31.33 ? 69  TRP A CA  1 
ATOM   531  C C   . TRP A 1 69  ? -1.653  0.247   18.097 1.00 29.49 ? 69  TRP A C   1 
ATOM   532  O O   . TRP A 1 69  ? -1.905  -0.843  17.574 1.00 32.62 ? 69  TRP A O   1 
ATOM   533  C CB  . TRP A 1 69  ? -0.314  0.181   20.258 1.00 32.10 ? 69  TRP A CB  1 
ATOM   534  C CG  . TRP A 1 69  ? -1.157  1.140   21.041 1.00 36.66 ? 69  TRP A CG  1 
ATOM   535  C CD1 . TRP A 1 69  ? -0.710  2.197   21.788 1.00 38.99 ? 69  TRP A CD1 1 
ATOM   536  C CD2 . TRP A 1 69  ? -2.578  1.096   21.220 1.00 39.00 ? 69  TRP A CD2 1 
ATOM   537  N NE1 . TRP A 1 69  ? -1.772  2.843   22.373 1.00 41.95 ? 69  TRP A NE1 1 
ATOM   538  C CE2 . TRP A 1 69  ? -2.928  2.180   22.050 1.00 39.46 ? 69  TRP A CE2 1 
ATOM   539  C CE3 . TRP A 1 69  ? -3.592  0.248   20.753 1.00 42.99 ? 69  TRP A CE3 1 
ATOM   540  C CZ2 . TRP A 1 69  ? -4.247  2.448   22.413 1.00 42.51 ? 69  TRP A CZ2 1 
ATOM   541  C CZ3 . TRP A 1 69  ? -4.904  0.518   21.112 1.00 45.76 ? 69  TRP A CZ3 1 
ATOM   542  C CH2 . TRP A 1 69  ? -5.218  1.612   21.932 1.00 42.13 ? 69  TRP A CH2 1 
ATOM   543  N N   . SER A 1 70  ? -2.526  1.253   18.076 1.00 31.01 ? 70  SER A N   1 
ATOM   544  C CA  . SER A 1 70  ? -3.810  1.049   17.409 1.00 29.91 ? 70  SER A CA  1 
ATOM   545  C C   . SER A 1 70  ? -3.646  0.971   15.897 1.00 31.29 ? 70  SER A C   1 
ATOM   546  O O   . SER A 1 70  ? -4.316  0.167   15.244 1.00 30.82 ? 70  SER A O   1 
ATOM   547  C CB  . SER A 1 70  ? -4.805  2.141   17.800 1.00 33.00 ? 70  SER A CB  1 
ATOM   548  O OG  . SER A 1 70  ? -4.448  3.403   17.292 1.00 41.36 ? 70  SER A OG  1 
ATOM   549  N N   . ALA A 1 71  ? -2.770  1.801   15.324 1.00 31.87 ? 71  ALA A N   1 
ATOM   550  C CA  . ALA A 1 71  ? -2.484  1.700   13.896 1.00 25.99 ? 71  ALA A CA  1 
ATOM   551  C C   . ALA A 1 71  ? -1.917  0.332   13.568 1.00 31.49 ? 71  ALA A C   1 
ATOM   552  O O   . ALA A 1 71  ? -2.261  -0.275  12.546 1.00 29.31 ? 71  ALA A O   1 
ATOM   553  C CB  . ALA A 1 71  ? -1.497  2.796   13.481 1.00 26.77 ? 71  ALA A CB  1 
ATOM   554  N N   . LEU A 1 72  ? -1.045  -0.172  14.437 1.00 28.11 ? 72  LEU A N   1 
ATOM   555  C CA  . LEU A 1 72  ? -0.450  -1.477  14.204 1.00 31.55 ? 72  LEU A CA  1 
ATOM   556  C C   . LEU A 1 72  ? -1.503  -2.570  14.284 1.00 31.02 ? 72  LEU A C   1 
ATOM   557  O O   . LEU A 1 72  ? -1.468  -3.532  13.512 1.00 29.47 ? 72  LEU A O   1 
ATOM   558  C CB  . LEU A 1 72  ? 0.664   -1.696  15.221 1.00 30.13 ? 72  LEU A CB  1 
ATOM   559  C CG  . LEU A 1 72  ? 1.944   -0.903  14.889 1.00 32.87 ? 72  LEU A CG  1 
ATOM   560  C CD1 . LEU A 1 72  ? 3.004   -1.098  15.990 1.00 32.29 ? 72  LEU A CD1 1 
ATOM   561  C CD2 . LEU A 1 72  ? 2.476   -1.308  13.531 1.00 29.33 ? 72  LEU A CD2 1 
ATOM   562  N N   . GLN A 1 73  ? -2.446  -2.431  15.210 1.00 30.72 ? 73  GLN A N   1 
ATOM   563  C CA  . GLN A 1 73  ? -3.533  -3.402  15.303 1.00 33.62 ? 73  GLN A CA  1 
ATOM   564  C C   . GLN A 1 73  ? -4.388  -3.384  14.045 1.00 33.33 ? 73  GLN A C   1 
ATOM   565  O O   . GLN A 1 73  ? -4.799  -4.437  13.547 1.00 35.90 ? 73  GLN A O   1 
ATOM   566  C CB  . GLN A 1 73  ? -4.377  -3.107  16.539 1.00 33.24 ? 73  GLN A CB  1 
ATOM   567  C CG  . GLN A 1 73  ? -5.002  -4.348  17.150 1.00 45.66 ? 73  GLN A CG  1 
ATOM   568  C CD  . GLN A 1 73  ? -4.287  -4.771  18.416 1.00 58.50 ? 73  GLN A CD  1 
ATOM   569  O OE1 . GLN A 1 73  ? -4.410  -4.127  19.462 1.00 62.90 ? 73  GLN A OE1 1 
ATOM   570  N NE2 . GLN A 1 73  ? -3.517  -5.852  18.324 1.00 58.08 ? 73  GLN A NE2 1 
ATOM   571  N N   . LEU A 1 74  ? -4.647  -2.190  13.507 1.00 36.54 ? 74  LEU A N   1 
ATOM   572  C CA  . LEU A 1 74  ? -5.429  -2.071  12.280 1.00 32.29 ? 74  LEU A CA  1 
ATOM   573  C C   . LEU A 1 74  ? -4.797  -2.855  11.136 1.00 32.61 ? 74  LEU A C   1 
ATOM   574  O O   . LEU A 1 74  ? -5.496  -3.523  10.365 1.00 37.22 ? 74  LEU A O   1 
ATOM   575  C CB  . LEU A 1 74  ? -5.562  -0.594  11.902 1.00 38.34 ? 74  LEU A CB  1 
ATOM   576  C CG  . LEU A 1 74  ? -6.559  -0.228  10.805 1.00 43.36 ? 74  LEU A CG  1 
ATOM   577  C CD1 . LEU A 1 74  ? -7.986  -0.460  11.276 1.00 43.36 ? 74  LEU A CD1 1 
ATOM   578  C CD2 . LEU A 1 74  ? -6.347  1.211   10.358 1.00 39.24 ? 74  LEU A CD2 1 
ATOM   579  N N   . VAL A 1 75  ? -3.471  -2.782  11.005 1.00 29.87 ? 75  VAL A N   1 
ATOM   580  C CA  . VAL A 1 75  ? -2.788  -3.483  9.923  1.00 30.57 ? 75  VAL A CA  1 
ATOM   581  C C   . VAL A 1 75  ? -2.808  -4.985  10.163 1.00 30.64 ? 75  VAL A C   1 
ATOM   582  O O   . VAL A 1 75  ? -2.778  -5.782  9.212  1.00 32.50 ? 75  VAL A O   1 
ATOM   583  C CB  . VAL A 1 75  ? -1.355  -2.941  9.787  1.00 32.11 ? 75  VAL A CB  1 
ATOM   584  C CG1 . VAL A 1 75  ? -0.585  -3.687  8.712  1.00 27.70 ? 75  VAL A CG1 1 
ATOM   585  C CG2 . VAL A 1 75  ? -1.411  -1.460  9.470  1.00 29.32 ? 75  VAL A CG2 1 
ATOM   586  N N   . ALA A 1 76  ? -2.844  -5.397  11.434 1.00 34.03 ? 76  ALA A N   1 
ATOM   587  C CA  . ALA A 1 76  ? -2.925  -6.815  11.759 1.00 33.89 ? 76  ALA A CA  1 
ATOM   588  C C   . ALA A 1 76  ? -4.337  -7.336  11.538 1.00 38.68 ? 76  ALA A C   1 
ATOM   589  O O   . ALA A 1 76  ? -4.528  -8.478  11.104 1.00 40.39 ? 76  ALA A O   1 
ATOM   590  C CB  . ALA A 1 76  ? -2.493  -7.044  13.210 1.00 35.96 ? 76  ALA A CB  1 
ATOM   591  N N   . GLN A 1 77  ? -5.330  -6.504  11.834 1.00 34.23 ? 77  GLN A N   1 
ATOM   592  C CA  . GLN A 1 77  ? -6.725  -6.888  11.680 1.00 40.82 ? 77  GLN A CA  1 
ATOM   593  C C   . GLN A 1 77  ? -7.152  -6.866  10.216 1.00 41.34 ? 77  GLN A C   1 
ATOM   594  O O   . GLN A 1 77  ? -7.823  -7.790  9.746  1.00 39.70 ? 77  GLN A O   1 
ATOM   595  C CB  . GLN A 1 77  ? -7.593  -5.946  12.508 1.00 41.44 ? 77  GLN A CB  1 
ATOM   596  C CG  . GLN A 1 77  ? -9.045  -6.338  12.628 1.00 56.80 ? 77  GLN A CG  1 
ATOM   597  C CD  . GLN A 1 77  ? -9.689  -5.707  13.848 1.00 67.69 ? 77  GLN A CD  1 
ATOM   598  O OE1 . GLN A 1 77  ? -10.850 -5.289  13.811 1.00 73.71 ? 77  GLN A OE1 1 
ATOM   599  N NE2 . GLN A 1 77  ? -8.928  -5.620  14.940 1.00 66.57 ? 77  GLN A NE2 1 
ATOM   600  N N   . TYR A 1 78  ? -6.773  -5.826  9.478  1.00 34.93 ? 78  TYR A N   1 
ATOM   601  C CA  . TYR A 1 78  ? -7.217  -5.646  8.100  1.00 39.22 ? 78  TYR A CA  1 
ATOM   602  C C   . TYR A 1 78  ? -6.046  -5.779  7.135  1.00 39.58 ? 78  TYR A C   1 
ATOM   603  O O   . TYR A 1 78  ? -5.975  -6.746  6.380  1.00 46.31 ? 78  TYR A O   1 
ATOM   604  C CB  . TYR A 1 78  ? -7.916  -4.293  7.952  1.00 40.21 ? 78  TYR A CB  1 
ATOM   605  C CG  . TYR A 1 78  ? -9.160  -4.189  8.810  1.00 45.98 ? 78  TYR A CG  1 
ATOM   606  C CD1 . TYR A 1 78  ? -10.285 -4.969  8.541  1.00 51.42 ? 78  TYR A CD1 1 
ATOM   607  C CD2 . TYR A 1 78  ? -9.186  -3.371  9.928  1.00 47.44 ? 78  TYR A CD2 1 
ATOM   608  C CE1 . TYR A 1 78  ? -11.418 -4.896  9.339  1.00 53.93 ? 78  TYR A CE1 1 
ATOM   609  C CE2 . TYR A 1 78  ? -10.314 -3.292  10.735 1.00 56.76 ? 78  TYR A CE2 1 
ATOM   610  C CZ  . TYR A 1 78  ? -11.428 -4.058  10.437 1.00 60.83 ? 78  TYR A CZ  1 
ATOM   611  O OH  . TYR A 1 78  ? -12.550 -3.978  11.239 1.00 65.04 ? 78  TYR A OH  1 
ATOM   612  N N   . GLY A 1 79  ? -5.120  -4.849  7.158  1.00 33.77 ? 79  GLY A N   1 
ATOM   613  C CA  . GLY A 1 79  ? -4.024  -4.799  6.229  1.00 26.46 ? 79  GLY A CA  1 
ATOM   614  C C   . GLY A 1 79  ? -3.715  -3.352  5.921  1.00 32.28 ? 79  GLY A C   1 
ATOM   615  O O   . GLY A 1 79  ? -4.269  -2.441  6.521  1.00 29.45 ? 79  GLY A O   1 
ATOM   616  N N   . ILE A 1 80  ? -2.817  -3.138  4.969  1.00 31.92 ? 80  ILE A N   1 
ATOM   617  C CA  . ILE A 1 80  ? -2.433  -1.785  4.584  1.00 29.25 ? 80  ILE A CA  1 
ATOM   618  C C   . ILE A 1 80  ? -2.144  -1.792  3.095  1.00 31.01 ? 80  ILE A C   1 
ATOM   619  O O   . ILE A 1 80  ? -1.788  -2.824  2.515  1.00 30.16 ? 80  ILE A O   1 
ATOM   620  C CB  . ILE A 1 80  ? -1.226  -1.289  5.422  1.00 27.63 ? 80  ILE A CB  1 
ATOM   621  C CG1 . ILE A 1 80  ? -0.989  0.218   5.222  1.00 26.45 ? 80  ILE A CG1 1 
ATOM   622  C CG2 . ILE A 1 80  ? 0.032   -2.093  5.106  1.00 27.98 ? 80  ILE A CG2 1 
ATOM   623  C CD1 . ILE A 1 80  ? -0.172  0.839   6.351  1.00 29.56 ? 80  ILE A CD1 1 
ATOM   624  N N   . HIS A 1 81  ? -2.335  -0.640  2.467  1.00 26.34 ? 81  HIS A N   1 
ATOM   625  C CA  . HIS A 1 81  ? -2.108  -0.472  1.040  1.00 27.01 ? 81  HIS A CA  1 
ATOM   626  C C   . HIS A 1 81  ? -0.743  0.158   0.805  1.00 30.27 ? 81  HIS A C   1 
ATOM   627  O O   . HIS A 1 81  ? -0.152  0.763   1.704  1.00 25.94 ? 81  HIS A O   1 
ATOM   628  C CB  . HIS A 1 81  ? -3.194  0.415   0.442  1.00 27.88 ? 81  HIS A CB  1 
ATOM   629  C CG  . HIS A 1 81  ? -4.484  -0.303  0.212  1.00 28.00 ? 81  HIS A CG  1 
ATOM   630  N ND1 . HIS A 1 81  ? -5.517  -0.262  1.124  1.00 28.84 ? 81  HIS A ND1 1 
ATOM   631  C CD2 . HIS A 1 81  ? -4.924  -1.043  -0.831 1.00 31.82 ? 81  HIS A CD2 1 
ATOM   632  C CE1 . HIS A 1 81  ? -6.529  -0.976  0.665  1.00 32.84 ? 81  HIS A CE1 1 
ATOM   633  N NE2 . HIS A 1 81  ? -6.196  -1.458  -0.519 1.00 35.63 ? 81  HIS A NE2 1 
ATOM   634  N N   . TYR A 1 82  ? -0.259  0.014   -0.429 1.00 28.11 ? 82  TYR A N   1 
ATOM   635  C CA  . TYR A 1 82  ? 0.933   0.719   -0.857 1.00 25.73 ? 82  TYR A CA  1 
ATOM   636  C C   . TYR A 1 82  ? 0.735   2.212   -0.716 1.00 28.69 ? 82  TYR A C   1 
ATOM   637  O O   . TYR A 1 82  ? -0.368  2.729   -0.891 1.00 26.98 ? 82  TYR A O   1 
ATOM   638  C CB  . TYR A 1 82  ? 1.262   0.397   -2.308 1.00 26.56 ? 82  TYR A CB  1 
ATOM   639  C CG  . TYR A 1 82  ? 1.780   -0.991  -2.471 1.00 31.45 ? 82  TYR A CG  1 
ATOM   640  C CD1 . TYR A 1 82  ? 2.817   -1.447  -1.674 1.00 32.02 ? 82  TYR A CD1 1 
ATOM   641  C CD2 . TYR A 1 82  ? 1.253   -1.845  -3.442 1.00 33.82 ? 82  TYR A CD2 1 
ATOM   642  C CE1 . TYR A 1 82  ? 3.310   -2.722  -1.818 1.00 31.74 ? 82  TYR A CE1 1 
ATOM   643  C CE2 . TYR A 1 82  ? 1.744   -3.127  -3.601 1.00 37.38 ? 82  TYR A CE2 1 
ATOM   644  C CZ  . TYR A 1 82  ? 2.770   -3.557  -2.789 1.00 35.72 ? 82  TYR A CZ  1 
ATOM   645  O OH  . TYR A 1 82  ? 3.260   -4.825  -2.929 1.00 39.13 ? 82  TYR A OH  1 
ATOM   646  N N   . ARG A 1 83  ? 1.830   2.909   -0.429 1.00 24.10 ? 83  ARG A N   1 
ATOM   647  C CA  . ARG A 1 83  ? 1.768   4.360   -0.367 1.00 26.21 ? 83  ARG A CA  1 
ATOM   648  C C   . ARG A 1 83  ? 1.353   4.965   -1.712 1.00 26.24 ? 83  ARG A C   1 
ATOM   649  O O   . ARG A 1 83  ? 0.598   5.940   -1.748 1.00 27.98 ? 83  ARG A O   1 
ATOM   650  C CB  . ARG A 1 83  ? 3.120   4.912   0.076  1.00 26.53 ? 83  ARG A CB  1 
ATOM   651  C CG  . ARG A 1 83  ? 3.049   6.333   0.589  1.00 23.15 ? 83  ARG A CG  1 
ATOM   652  C CD  . ARG A 1 83  ? 4.394   6.686   1.236  1.00 25.36 ? 83  ARG A CD  1 
ATOM   653  N NE  . ARG A 1 83  ? 4.252   7.747   2.230  1.00 27.38 ? 83  ARG A NE  1 
ATOM   654  C CZ  . ARG A 1 83  ? 4.648   9.003   2.065  1.00 27.83 ? 83  ARG A CZ  1 
ATOM   655  N NH1 . ARG A 1 83  ? 5.268   9.396   0.962  1.00 28.65 ? 83  ARG A NH1 1 
ATOM   656  N NH2 . ARG A 1 83  ? 4.442   9.879   3.046  1.00 28.23 ? 83  ARG A NH2 1 
ATOM   657  N N   A ASN A 1 84  ? 1.872   4.428   -2.822 0.64 29.85 ? 84  ASN A N   1 
ATOM   658  N N   B ASN A 1 84  ? 1.831   4.404   -2.828 0.36 29.80 ? 84  ASN A N   1 
ATOM   659  C CA  A ASN A 1 84  ? 1.487   4.925   -4.146 0.64 31.47 ? 84  ASN A CA  1 
ATOM   660  C CA  B ASN A 1 84  ? 1.481   4.988   -4.124 0.36 31.54 ? 84  ASN A CA  1 
ATOM   661  C C   A ASN A 1 84  ? -0.019  4.872   -4.355 0.64 31.13 ? 84  ASN A C   1 
ATOM   662  C C   B ASN A 1 84  ? -0.006  4.833   -4.429 0.36 31.25 ? 84  ASN A C   1 
ATOM   663  O O   A ASN A 1 84  ? -0.608  5.771   -4.972 0.64 33.21 ? 84  ASN A O   1 
ATOM   664  O O   B ASN A 1 84  ? -0.572  5.641   -5.176 0.36 32.96 ? 84  ASN A O   1 
ATOM   665  C CB  A ASN A 1 84  ? 2.179   4.114   -5.241 0.64 34.42 ? 84  ASN A CB  1 
ATOM   666  C CB  B ASN A 1 84  ? 2.319   4.372   -5.250 0.36 34.41 ? 84  ASN A CB  1 
ATOM   667  C CG  A ASN A 1 84  ? 2.180   4.831   -6.573 0.64 37.34 ? 84  ASN A CG  1 
ATOM   668  C CG  B ASN A 1 84  ? 2.312   2.856   -5.234 0.36 34.51 ? 84  ASN A CG  1 
ATOM   669  O OD1 A ASN A 1 84  ? 2.585   5.989   -6.670 0.64 40.78 ? 84  ASN A OD1 1 
ATOM   670  O OD1 B ASN A 1 84  ? 1.257   2.230   -5.289 0.36 36.17 ? 84  ASN A OD1 1 
ATOM   671  N ND2 A ASN A 1 84  ? 1.686   4.156   -7.606 0.64 41.08 ? 84  ASN A ND2 1 
ATOM   672  N ND2 B ASN A 1 84  ? 3.499   2.257   -5.194 0.36 37.50 ? 84  ASN A ND2 1 
ATOM   673  N N   . THR A 1 85  ? -0.651  3.812   -3.863 1.00 28.88 ? 85  THR A N   1 
ATOM   674  C CA  . THR A 1 85  ? -2.078  3.603   -4.056 1.00 30.25 ? 85  THR A CA  1 
ATOM   675  C C   . THR A 1 85  ? -2.879  4.556   -3.186 1.00 28.12 ? 85  THR A C   1 
ATOM   676  O O   . THR A 1 85  ? -3.991  4.963   -3.541 1.00 29.26 ? 85  THR A O   1 
ATOM   677  C CB  . THR A 1 85  ? -2.431  2.161   -3.657 1.00 31.78 ? 85  THR A CB  1 
ATOM   678  O OG1 . THR A 1 85  ? -1.702  1.238   -4.472 1.00 39.20 ? 85  THR A OG1 1 
ATOM   679  C CG2 . THR A 1 85  ? -3.926  1.892   -3.825 1.00 37.43 ? 85  THR A CG2 1 
ATOM   680  N N   . TYR A 1 86  ? -2.328  4.895   -2.032 1.00 25.43 ? 86  TYR A N   1 
ATOM   681  C CA  . TYR A 1 86  ? -3.041  5.626   -0.994 1.00 24.36 ? 86  TYR A CA  1 
ATOM   682  C C   . TYR A 1 86  ? -2.071  6.670   -0.472 1.00 26.14 ? 86  TYR A C   1 
ATOM   683  O O   . TYR A 1 86  ? -1.548  6.560   0.646  1.00 24.63 ? 86  TYR A O   1 
ATOM   684  C CB  . TYR A 1 86  ? -3.512  4.652   0.092  1.00 25.80 ? 86  TYR A CB  1 
ATOM   685  C CG  . TYR A 1 86  ? -4.680  5.098   0.927  1.00 23.46 ? 86  TYR A CG  1 
ATOM   686  C CD1 . TYR A 1 86  ? -4.900  6.434   1.209  1.00 24.76 ? 86  TYR A CD1 1 
ATOM   687  C CD2 . TYR A 1 86  ? -5.565  4.159   1.453  1.00 25.43 ? 86  TYR A CD2 1 
ATOM   688  C CE1 . TYR A 1 86  ? -5.967  6.822   1.967  1.00 23.19 ? 86  TYR A CE1 1 
ATOM   689  C CE2 . TYR A 1 86  ? -6.625  4.536   2.208  1.00 25.76 ? 86  TYR A CE2 1 
ATOM   690  C CZ  . TYR A 1 86  ? -6.828  5.857   2.474  1.00 27.21 ? 86  TYR A CZ  1 
ATOM   691  O OH  . TYR A 1 86  ? -7.891  6.221   3.244  1.00 28.06 ? 86  TYR A OH  1 
ATOM   692  N N   . PRO A 1 87  ? -1.776  7.689   -1.278 1.00 24.10 ? 87  PRO A N   1 
ATOM   693  C CA  . PRO A 1 87  ? -0.689  8.608   -0.930 1.00 25.41 ? 87  PRO A CA  1 
ATOM   694  C C   . PRO A 1 87  ? -1.056  9.532   0.208  1.00 27.89 ? 87  PRO A C   1 
ATOM   695  O O   . PRO A 1 87  ? -2.221  9.727   0.565  1.00 23.14 ? 87  PRO A O   1 
ATOM   696  C CB  . PRO A 1 87  ? -0.441  9.393   -2.229 1.00 26.93 ? 87  PRO A CB  1 
ATOM   697  C CG  . PRO A 1 87  ? -1.724  9.321   -2.965 1.00 22.78 ? 87  PRO A CG  1 
ATOM   698  C CD  . PRO A 1 87  ? -2.352  7.994   -2.602 1.00 24.49 ? 87  PRO A CD  1 
ATOM   699  N N   . TYR A 1 88  ? -0.006  10.094  0.786  1.00 24.10 ? 88  TYR A N   1 
ATOM   700  C CA  . TYR A 1 88  ? -0.136  10.979  1.921  1.00 27.02 ? 88  TYR A CA  1 
ATOM   701  C C   . TYR A 1 88  ? -0.656  12.326  1.462  1.00 26.01 ? 88  TYR A C   1 
ATOM   702  O O   . TYR A 1 88  ? -0.155  12.905  0.489  1.00 29.90 ? 88  TYR A O   1 
ATOM   703  C CB  . TYR A 1 88  ? 1.206   11.154  2.614  1.00 26.26 ? 88  TYR A CB  1 
ATOM   704  C CG  . TYR A 1 88  ? 1.097   11.895  3.903  1.00 25.91 ? 88  TYR A CG  1 
ATOM   705  C CD1 . TYR A 1 88  ? 0.253   11.445  4.922  1.00 25.65 ? 88  TYR A CD1 1 
ATOM   706  C CD2 . TYR A 1 88  ? 1.836   13.048  4.118  1.00 24.15 ? 88  TYR A CD2 1 
ATOM   707  C CE1 . TYR A 1 88  ? 0.152   12.134  6.113  1.00 25.39 ? 88  TYR A CE1 1 
ATOM   708  C CE2 . TYR A 1 88  ? 1.745   13.733  5.307  1.00 25.80 ? 88  TYR A CE2 1 
ATOM   709  C CZ  . TYR A 1 88  ? 0.908   13.272  6.302  1.00 24.46 ? 88  TYR A CZ  1 
ATOM   710  O OH  . TYR A 1 88  ? 0.837   13.969  7.485  1.00 23.81 ? 88  TYR A OH  1 
ATOM   711  N N   . GLU A 1 89  ? -1.656  12.806  2.169  1.00 25.62 ? 89  GLU A N   1 
ATOM   712  C CA  . GLU A 1 89  ? -2.319  14.053  1.883  1.00 27.48 ? 89  GLU A CA  1 
ATOM   713  C C   . GLU A 1 89  ? -2.181  15.056  3.011  1.00 28.01 ? 89  GLU A C   1 
ATOM   714  O O   . GLU A 1 89  ? -2.451  16.244  2.793  1.00 31.05 ? 89  GLU A O   1 
ATOM   715  C CB  . GLU A 1 89  ? -3.807  13.797  1.612  1.00 24.10 ? 89  GLU A CB  1 
ATOM   716  C CG  . GLU A 1 89  ? -4.040  12.859  0.437  1.00 25.04 ? 89  GLU A CG  1 
ATOM   717  C CD  . GLU A 1 89  ? -5.501  12.680  0.166  1.00 27.35 ? 89  GLU A CD  1 
ATOM   718  O OE1 . GLU A 1 89  ? -6.147  13.681  -0.180 1.00 26.96 ? 89  GLU A OE1 1 
ATOM   719  O OE2 . GLU A 1 89  ? -6.005  11.552  0.296  1.00 27.55 ? 89  GLU A OE2 1 
ATOM   720  N N   . GLY A 1 90  ? -1.766  14.620  4.195  1.00 25.38 ? 90  GLY A N   1 
ATOM   721  C CA  . GLY A 1 90  ? -1.495  15.550  5.270  1.00 29.43 ? 90  GLY A CA  1 
ATOM   722  C C   . GLY A 1 90  ? -2.746  16.042  5.942  1.00 29.08 ? 90  GLY A C   1 
ATOM   723  O O   . GLY A 1 90  ? -2.691  17.000  6.719  1.00 28.48 ? 90  GLY A O   1 
ATOM   724  N N   A VAL A 1 91  ? -3.877  15.414  5.658  0.71 27.91 ? 91  VAL A N   1 
ATOM   725  N N   B VAL A 1 91  ? -3.880  15.408  5.668  0.29 27.41 ? 91  VAL A N   1 
ATOM   726  C CA  A VAL A 1 91  ? -5.153  15.765  6.260  0.71 29.68 ? 91  VAL A CA  1 
ATOM   727  C CA  B VAL A 1 91  ? -5.168  15.782  6.237  0.29 29.67 ? 91  VAL A CA  1 
ATOM   728  C C   A VAL A 1 91  ? -5.930  14.471  6.404  0.71 27.68 ? 91  VAL A C   1 
ATOM   729  C C   B VAL A 1 91  ? -5.993  14.512  6.359  0.29 27.72 ? 91  VAL A C   1 
ATOM   730  O O   A VAL A 1 91  ? -5.807  13.567  5.573  0.71 27.07 ? 91  VAL A O   1 
ATOM   731  O O   B VAL A 1 91  ? -5.976  13.664  5.462  0.29 27.30 ? 91  VAL A O   1 
ATOM   732  C CB  A VAL A 1 91  ? -5.914  16.799  5.400  0.71 30.74 ? 91  VAL A CB  1 
ATOM   733  C CB  B VAL A 1 91  ? -5.877  16.845  5.364  0.29 30.62 ? 91  VAL A CB  1 
ATOM   734  C CG1 A VAL A 1 91  ? -6.154  16.240  4.001  0.71 27.57 ? 91  VAL A CG1 1 
ATOM   735  C CG1 B VAL A 1 91  ? -7.389  16.651  5.384  0.29 29.23 ? 91  VAL A CG1 1 
ATOM   736  C CG2 A VAL A 1 91  ? -7.228  17.204  6.066  0.71 29.92 ? 91  VAL A CG2 1 
ATOM   737  C CG2 B VAL A 1 91  ? -5.509  18.245  5.821  0.29 28.68 ? 91  VAL A CG2 1 
ATOM   738  N N   . GLN A 1 92  ? -6.691  14.358  7.481  1.00 27.85 ? 92  GLN A N   1 
ATOM   739  C CA  . GLN A 1 92  ? -7.539  13.191  7.644  1.00 28.40 ? 92  GLN A CA  1 
ATOM   740  C C   . GLN A 1 92  ? -8.732  13.314  6.707  1.00 31.41 ? 92  GLN A C   1 
ATOM   741  O O   . GLN A 1 92  ? -9.396  14.352  6.662  1.00 30.92 ? 92  GLN A O   1 
ATOM   742  C CB  . GLN A 1 92  ? -8.012  13.053  9.087  1.00 31.65 ? 92  GLN A CB  1 
ATOM   743  C CG  . GLN A 1 92  ? -8.970  11.889  9.255  1.00 30.61 ? 92  GLN A CG  1 
ATOM   744  C CD  . GLN A 1 92  ? -9.309  11.640  10.697 1.00 32.57 ? 92  GLN A CD  1 
ATOM   745  O OE1 . GLN A 1 92  ? -9.201  10.515  11.196 1.00 39.83 ? 92  GLN A OE1 1 
ATOM   746  N NE2 . GLN A 1 92  ? -9.683  12.698  11.390 1.00 33.15 ? 92  GLN A NE2 1 
ATOM   747  N N   . ARG A 1 93  ? -8.972  12.279  5.925  1.00 24.69 ? 93  ARG A N   1 
ATOM   748  C CA  . ARG A 1 93  ? -10.156 12.202  5.098  1.00 31.92 ? 93  ARG A CA  1 
ATOM   749  C C   . ARG A 1 93  ? -10.889 10.944  5.533  1.00 34.06 ? 93  ARG A C   1 
ATOM   750  O O   . ARG A 1 93  ? -10.577 10.348  6.564  1.00 38.54 ? 93  ARG A O   1 
ATOM   751  C CB  . ARG A 1 93  ? -9.773  12.230  3.615  1.00 24.84 ? 93  ARG A CB  1 
ATOM   752  C CG  . ARG A 1 93  ? -9.087  13.566  3.261  1.00 26.08 ? 93  ARG A CG  1 
ATOM   753  C CD  . ARG A 1 93  ? -8.675  13.599  1.809  1.00 29.95 ? 93  ARG A CD  1 
ATOM   754  N NE  . ARG A 1 93  ? -9.863  13.513  0.969  1.00 28.09 ? 93  ARG A NE  1 
ATOM   755  C CZ  . ARG A 1 93  ? -9.840  13.383  -0.349 1.00 30.31 ? 93  ARG A CZ  1 
ATOM   756  N NH1 . ARG A 1 93  ? -8.701  13.396  -1.024 1.00 26.09 ? 93  ARG A NH1 1 
ATOM   757  N NH2 . ARG A 1 93  ? -10.989 13.248  -1.005 1.00 32.10 ? 93  ARG A NH2 1 
ATOM   758  N N   A TYR A 1 94  ? -11.870 10.536  4.747  0.56 35.32 ? 94  TYR A N   1 
ATOM   759  N N   B TYR A 1 94  ? -11.864 10.532  4.739  0.44 35.29 ? 94  TYR A N   1 
ATOM   760  C CA  A TYR A 1 94  ? -12.564 9.316   5.105  0.56 34.98 ? 94  TYR A CA  1 
ATOM   761  C CA  B TYR A 1 94  ? -12.577 9.316   5.076  0.44 34.98 ? 94  TYR A CA  1 
ATOM   762  C C   A TYR A 1 94  ? -11.715 8.109   4.727  0.56 33.19 ? 94  TYR A C   1 
ATOM   763  C C   B TYR A 1 94  ? -11.720 8.106   4.716  0.44 33.18 ? 94  TYR A C   1 
ATOM   764  O O   A TYR A 1 94  ? -10.792 8.193   3.913  0.56 31.22 ? 94  TYR A O   1 
ATOM   765  O O   B TYR A 1 94  ? -10.796 8.186   3.902  0.44 31.25 ? 94  TYR A O   1 
ATOM   766  C CB  A TYR A 1 94  ? -13.938 9.275   4.436  0.56 36.67 ? 94  TYR A CB  1 
ATOM   767  C CB  B TYR A 1 94  ? -13.928 9.279   4.361  0.44 36.64 ? 94  TYR A CB  1 
ATOM   768  C CG  A TYR A 1 94  ? -13.920 9.113   2.938  0.56 35.08 ? 94  TYR A CG  1 
ATOM   769  C CG  B TYR A 1 94  ? -14.846 10.403  4.800  0.44 38.24 ? 94  TYR A CG  1 
ATOM   770  C CD1 A TYR A 1 94  ? -13.684 10.196  2.101  0.56 35.16 ? 94  TYR A CD1 1 
ATOM   771  C CD1 B TYR A 1 94  ? -15.653 10.274  5.925  0.44 41.17 ? 94  TYR A CD1 1 
ATOM   772  C CD2 A TYR A 1 94  ? -14.196 7.884   2.354  0.56 35.86 ? 94  TYR A CD2 1 
ATOM   773  C CD2 B TYR A 1 94  ? -14.897 11.600  4.093  0.44 39.97 ? 94  TYR A CD2 1 
ATOM   774  C CE1 A TYR A 1 94  ? -13.691 10.050  0.716  0.56 32.84 ? 94  TYR A CE1 1 
ATOM   775  C CE1 B TYR A 1 94  ? -16.486 11.306  6.330  0.44 40.23 ? 94  TYR A CE1 1 
ATOM   776  C CE2 A TYR A 1 94  ? -14.210 7.735   0.980  0.56 35.17 ? 94  TYR A CE2 1 
ATOM   777  C CE2 B TYR A 1 94  ? -15.728 12.632  4.488  0.44 38.39 ? 94  TYR A CE2 1 
ATOM   778  C CZ  A TYR A 1 94  ? -13.952 8.816   0.165  0.56 36.38 ? 94  TYR A CZ  1 
ATOM   779  C CZ  B TYR A 1 94  ? -16.517 12.480  5.607  0.44 42.56 ? 94  TYR A CZ  1 
ATOM   780  O OH  A TYR A 1 94  ? -13.964 8.650   -1.205 0.56 39.38 ? 94  TYR A OH  1 
ATOM   781  O OH  B TYR A 1 94  ? -17.342 13.510  6.000  0.44 48.68 ? 94  TYR A OH  1 
ATOM   782  N N   . CYS A 1 95  ? -12.019 6.980   5.352  1.00 29.52 ? 95  CYS A N   1 
ATOM   783  C CA  . CYS A 1 95  ? -11.248 5.770   5.114  1.00 29.58 ? 95  CYS A CA  1 
ATOM   784  C C   . CYS A 1 95  ? -11.577 5.208   3.734  1.00 32.05 ? 95  CYS A C   1 
ATOM   785  O O   . CYS A 1 95  ? -12.735 4.870   3.458  1.00 31.48 ? 95  CYS A O   1 
ATOM   786  C CB  . CYS A 1 95  ? -11.545 4.747   6.210  1.00 29.18 ? 95  CYS A CB  1 
ATOM   787  S SG  . CYS A 1 95  ? -10.652 3.239   5.993  1.00 29.83 ? 95  CYS A SG  1 
ATOM   788  N N   . ARG A 1 96  ? -10.560 5.097   2.868  1.00 28.78 ? 96  ARG A N   1 
ATOM   789  C CA  . ARG A 1 96  ? -10.758 4.714   1.471  1.00 28.99 ? 96  ARG A CA  1 
ATOM   790  C C   . ARG A 1 96  ? -10.149 3.363   1.130  1.00 32.34 ? 96  ARG A C   1 
ATOM   791  O O   . ARG A 1 96  ? -9.939  3.059   -0.054 1.00 34.22 ? 96  ARG A O   1 
ATOM   792  C CB  . ARG A 1 96  ? -10.195 5.791   0.557  1.00 29.53 ? 96  ARG A CB  1 
ATOM   793  C CG  . ARG A 1 96  ? -11.033 7.044   0.626  1.00 31.17 ? 96  ARG A CG  1 
ATOM   794  C CD  . ARG A 1 96  ? -10.291 8.245   0.135  1.00 33.29 ? 96  ARG A CD  1 
ATOM   795  N NE  . ARG A 1 96  ? -9.414  8.768   1.175  1.00 31.98 ? 96  ARG A NE  1 
ATOM   796  C CZ  . ARG A 1 96  ? -8.435  9.629   0.945  1.00 28.43 ? 96  ARG A CZ  1 
ATOM   797  N NH1 . ARG A 1 96  ? -8.224  10.121  -0.269 1.00 25.29 ? 96  ARG A NH1 1 
ATOM   798  N NH2 . ARG A 1 96  ? -7.652  10.005  1.956  1.00 26.54 ? 96  ARG A NH2 1 
ATOM   799  N N   . SER A 1 97  ? -9.881  2.536   2.141  1.00 29.61 ? 97  SER A N   1 
ATOM   800  C CA  . SER A 1 97  ? -9.262  1.240   1.888  1.00 30.04 ? 97  SER A CA  1 
ATOM   801  C C   . SER A 1 97  ? -10.058 0.417   0.885  1.00 35.02 ? 97  SER A C   1 
ATOM   802  O O   . SER A 1 97  ? -9.482  -0.188  -0.023 1.00 35.98 ? 97  SER A O   1 
ATOM   803  C CB  . SER A 1 97  ? -9.111  0.469   3.194  1.00 33.78 ? 97  SER A CB  1 
ATOM   804  O OG  . SER A 1 97  ? -8.425  1.266   4.128  1.00 35.03 ? 97  SER A OG  1 
ATOM   805  N N   . ARG A 1 98  ? -11.388 0.410   1.013  1.00 34.83 ? 98  ARG A N   1 
ATOM   806  C CA  . ARG A 1 98  ? -12.192 -0.467  0.167  1.00 41.64 ? 98  ARG A CA  1 
ATOM   807  C C   . ARG A 1 98  ? -12.263 0.024   -1.273 1.00 39.78 ? 98  ARG A C   1 
ATOM   808  O O   . ARG A 1 98  ? -12.507 -0.780  -2.178 1.00 45.41 ? 98  ARG A O   1 
ATOM   809  C CB  . ARG A 1 98  ? -13.601 -0.614  0.751  1.00 47.58 ? 98  ARG A CB  1 
ATOM   810  C CG  . ARG A 1 98  ? -14.403 -1.743  0.126  1.00 64.18 ? 98  ARG A CG  1 
ATOM   811  C CD  . ARG A 1 98  ? -15.149 -2.526  1.207  1.00 78.83 ? 98  ARG A CD  1 
ATOM   812  N NE  . ARG A 1 98  ? -16.350 -3.209  0.726  1.00 90.06 ? 98  ARG A NE  1 
ATOM   813  C CZ  . ARG A 1 98  ? -16.375 -4.147  -0.214 1.00 88.76 ? 98  ARG A CZ  1 
ATOM   814  N NH1 . ARG A 1 98  ? -15.266 -4.585  -0.792 1.00 80.13 ? 98  ARG A NH1 1 
ATOM   815  N NH2 . ARG A 1 98  ? -17.544 -4.674  -0.571 1.00 86.97 ? 98  ARG A NH2 1 
ATOM   816  N N   . GLU A 1 99  ? -12.053 1.319   -1.505 1.00 38.05 ? 99  GLU A N   1 
ATOM   817  C CA  . GLU A 1 99  ? -12.017 1.874   -2.852 1.00 40.39 ? 99  GLU A CA  1 
ATOM   818  C C   . GLU A 1 99  ? -10.705 1.594   -3.568 1.00 39.14 ? 99  GLU A C   1 
ATOM   819  O O   . GLU A 1 99  ? -10.637 1.733   -4.789 1.00 44.72 ? 99  GLU A O   1 
ATOM   820  C CB  . GLU A 1 99  ? -12.282 3.387   -2.792 1.00 43.65 ? 99  GLU A CB  1 
ATOM   821  C CG  . GLU A 1 99  ? -11.023 4.261   -2.856 1.00 45.45 ? 99  GLU A CG  1 
ATOM   822  C CD  . GLU A 1 99  ? -11.326 5.746   -3.072 1.00 51.25 ? 99  GLU A CD  1 
ATOM   823  O OE1 . GLU A 1 99  ? -10.424 6.483   -3.546 1.00 43.08 ? 99  GLU A OE1 1 
ATOM   824  O OE2 . GLU A 1 99  ? -12.470 6.170   -2.759 1.00 56.89 ? 99  GLU A OE2 1 
ATOM   825  N N   . LYS A 1 100 ? -9.679  1.152   -2.848 1.00 35.31 ? 100 LYS A N   1 
ATOM   826  C CA  . LYS A 1 100 ? -8.333  1.011   -3.388 1.00 34.54 ? 100 LYS A CA  1 
ATOM   827  C C   . LYS A 1 100 ? -7.909  -0.442  -3.547 1.00 39.37 ? 100 LYS A C   1 
ATOM   828  O O   . LYS A 1 100 ? -6.711  -0.734  -3.639 1.00 38.37 ? 100 LYS A O   1 
ATOM   829  C CB  . LYS A 1 100 ? -7.356  1.788   -2.506 1.00 38.77 ? 100 LYS A CB  1 
ATOM   830  C CG  . LYS A 1 100 ? -7.602  3.285   -2.582 1.00 35.62 ? 100 LYS A CG  1 
ATOM   831  C CD  . LYS A 1 100 ? -6.662  4.038   -1.682 1.00 31.39 ? 100 LYS A CD  1 
ATOM   832  C CE  . LYS A 1 100 ? -6.905  5.535   -1.727 1.00 32.49 ? 100 LYS A CE  1 
ATOM   833  N NZ  . LYS A 1 100 ? -6.591  5.997   -3.115 1.00 27.68 ? 100 LYS A NZ  1 
ATOM   834  N N   . GLY A 1 101 ? -8.871  -1.355  -3.597 1.00 38.25 ? 101 GLY A N   1 
ATOM   835  C CA  . GLY A 1 101 ? -8.590  -2.726  -3.936 1.00 41.55 ? 101 GLY A CA  1 
ATOM   836  C C   . GLY A 1 101 ? -8.002  -3.514  -2.788 1.00 42.03 ? 101 GLY A C   1 
ATOM   837  O O   . GLY A 1 101 ? -8.078  -3.116  -1.622 1.00 40.71 ? 101 GLY A O   1 
ATOM   838  N N   . PRO A 1 102 ? -7.414  -4.667  -3.106 1.00 44.07 ? 102 PRO A N   1 
ATOM   839  C CA  . PRO A 1 102 ? -6.884  -5.538  -2.054 1.00 41.64 ? 102 PRO A CA  1 
ATOM   840  C C   . PRO A 1 102 ? -5.755  -4.857  -1.302 1.00 39.51 ? 102 PRO A C   1 
ATOM   841  O O   . PRO A 1 102 ? -4.985  -4.075  -1.864 1.00 39.36 ? 102 PRO A O   1 
ATOM   842  C CB  . PRO A 1 102 ? -6.363  -6.761  -2.816 1.00 44.51 ? 102 PRO A CB  1 
ATOM   843  C CG  . PRO A 1 102 ? -6.822  -6.636  -4.206 1.00 51.63 ? 102 PRO A CG  1 
ATOM   844  C CD  . PRO A 1 102 ? -7.504  -5.329  -4.415 1.00 47.81 ? 102 PRO A CD  1 
ATOM   845  N N   . TYR A 1 103 ? -5.653  -5.179  -0.018 1.00 41.44 ? 103 TYR A N   1 
ATOM   846  C CA  . TYR A 1 103 ? -4.518  -4.725  0.773  1.00 36.94 ? 103 TYR A CA  1 
ATOM   847  C C   . TYR A 1 103 ? -3.225  -5.261  0.168  1.00 38.81 ? 103 TYR A C   1 
ATOM   848  O O   . TYR A 1 103 ? -3.192  -6.344  -0.418 1.00 42.75 ? 103 TYR A O   1 
ATOM   849  C CB  . TYR A 1 103 ? -4.675  -5.213  2.212  1.00 34.88 ? 103 TYR A CB  1 
ATOM   850  C CG  . TYR A 1 103 ? -5.785  -4.527  2.971  1.00 35.62 ? 103 TYR A CG  1 
ATOM   851  C CD1 . TYR A 1 103 ? -5.750  -3.157  3.222  1.00 36.89 ? 103 TYR A CD1 1 
ATOM   852  C CD2 . TYR A 1 103 ? -6.899  -5.246  3.400  1.00 40.06 ? 103 TYR A CD2 1 
ATOM   853  C CE1 . TYR A 1 103 ? -6.776  -2.535  3.913  1.00 36.29 ? 103 TYR A CE1 1 
ATOM   854  C CE2 . TYR A 1 103 ? -7.931  -4.631  4.091  1.00 41.37 ? 103 TYR A CE2 1 
ATOM   855  C CZ  . TYR A 1 103 ? -7.866  -3.275  4.344  1.00 37.42 ? 103 TYR A CZ  1 
ATOM   856  O OH  . TYR A 1 103 ? -8.898  -2.659  5.027  1.00 42.28 ? 103 TYR A OH  1 
ATOM   857  N N   . ALA A 1 104 ? -2.150  -4.482  0.296  1.00 33.23 ? 104 ALA A N   1 
ATOM   858  C CA  . ALA A 1 104 ? -0.850  -4.925  -0.194 1.00 34.93 ? 104 ALA A CA  1 
ATOM   859  C C   . ALA A 1 104 ? -0.137  -5.816  0.809  1.00 37.92 ? 104 ALA A C   1 
ATOM   860  O O   . ALA A 1 104 ? 0.660   -6.676  0.414  1.00 40.15 ? 104 ALA A O   1 
ATOM   861  C CB  . ALA A 1 104 ? 0.025   -3.717  -0.532 1.00 31.89 ? 104 ALA A CB  1 
ATOM   862  N N   . ALA A 1 105 ? -0.392  -5.616  2.101  1.00 31.60 ? 105 ALA A N   1 
ATOM   863  C CA  . ALA A 1 105 ? 0.325   -6.332  3.142  1.00 35.26 ? 105 ALA A CA  1 
ATOM   864  C C   . ALA A 1 105 ? -0.562  -6.432  4.369  1.00 34.07 ? 105 ALA A C   1 
ATOM   865  O O   . ALA A 1 105 ? -1.443  -5.600  4.595  1.00 32.25 ? 105 ALA A O   1 
ATOM   866  C CB  . ALA A 1 105 ? 1.654   -5.647  3.499  1.00 35.50 ? 105 ALA A CB  1 
ATOM   867  N N   . LYS A 1 106 ? -0.331  -7.476  5.151  1.00 35.72 ? 106 LYS A N   1 
ATOM   868  C CA  . LYS A 1 106 ? -1.029  -7.672  6.406  1.00 30.66 ? 106 LYS A CA  1 
ATOM   869  C C   . LYS A 1 106 ? -0.016  -8.185  7.411  1.00 34.63 ? 106 LYS A C   1 
ATOM   870  O O   . LYS A 1 106 ? 0.898   -8.929  7.053  1.00 38.95 ? 106 LYS A O   1 
ATOM   871  C CB  . LYS A 1 106 ? -2.170  -8.692  6.276  1.00 34.61 ? 106 LYS A CB  1 
ATOM   872  C CG  . LYS A 1 106 ? -3.114  -8.735  7.476  1.00 43.51 ? 106 LYS A CG  1 
ATOM   873  C CD  . LYS A 1 106 ? -4.436  -9.411  7.118  1.00 39.65 ? 106 LYS A CD  1 
ATOM   874  C CE  . LYS A 1 106 ? -5.202  -9.816  8.370  1.00 47.65 ? 106 LYS A CE  1 
ATOM   875  N NZ  . LYS A 1 106 ? -4.272  -10.204 9.485  1.00 45.96 ? 106 LYS A NZ  1 
ATOM   876  N N   . THR A 1 107 ? -0.194  -7.810  8.658  1.00 32.34 ? 107 THR A N   1 
ATOM   877  C CA  . THR A 1 107 ? 0.625   -8.354  9.722  1.00 32.24 ? 107 THR A CA  1 
ATOM   878  C C   . THR A 1 107 ? -0.221  -9.294  10.574 1.00 37.86 ? 107 THR A C   1 
ATOM   879  O O   . THR A 1 107 ? -1.424  -9.458  10.367 1.00 37.20 ? 107 THR A O   1 
ATOM   880  C CB  . THR A 1 107 ? 1.223   -7.237  10.570 1.00 31.20 ? 107 THR A CB  1 
ATOM   881  O OG1 . THR A 1 107 ? 0.162   -6.433  11.087 1.00 36.32 ? 107 THR A OG1 1 
ATOM   882  C CG2 . THR A 1 107 ? 2.146   -6.379  9.709  1.00 34.77 ? 107 THR A CG2 1 
ATOM   883  N N   . ASP A 1 108 ? 0.418   -9.912  11.558 1.00 34.86 ? 108 ASP A N   1 
ATOM   884  C CA  . ASP A 1 108 ? -0.253  -10.920 12.359 1.00 37.61 ? 108 ASP A CA  1 
ATOM   885  C C   . ASP A 1 108 ? -0.503  -10.491 13.792 1.00 40.38 ? 108 ASP A C   1 
ATOM   886  O O   . ASP A 1 108 ? -1.170  -11.222 14.529 1.00 46.78 ? 108 ASP A O   1 
ATOM   887  C CB  . ASP A 1 108 ? 0.554   -12.226 12.327 1.00 37.60 ? 108 ASP A CB  1 
ATOM   888  C CG  . ASP A 1 108 ? 0.719   -12.747 10.919 1.00 41.21 ? 108 ASP A CG  1 
ATOM   889  O OD1 . ASP A 1 108 ? -0.315  -12.883 10.231 1.00 47.54 ? 108 ASP A OD1 1 
ATOM   890  O OD2 . ASP A 1 108 ? 1.863   -12.997 10.483 1.00 51.92 ? 108 ASP A OD2 1 
ATOM   891  N N   . GLY A 1 109 ? -0.013  -9.328  14.201 1.00 35.24 ? 109 GLY A N   1 
ATOM   892  C CA  . GLY A 1 109 ? -0.283  -8.861  15.542 1.00 32.89 ? 109 GLY A CA  1 
ATOM   893  C C   . GLY A 1 109 ? 0.637   -7.718  15.918 1.00 39.95 ? 109 GLY A C   1 
ATOM   894  O O   . GLY A 1 109 ? 1.395   -7.196  15.090 1.00 34.69 ? 109 GLY A O   1 
ATOM   895  N N   . VAL A 1 110 ? 0.540   -7.338  17.191 1.00 36.50 ? 110 VAL A N   1 
ATOM   896  C CA  . VAL A 1 110 ? 1.267   -6.206  17.744 1.00 37.41 ? 110 VAL A CA  1 
ATOM   897  C C   . VAL A 1 110 ? 1.810   -6.652  19.094 1.00 41.59 ? 110 VAL A C   1 
ATOM   898  O O   . VAL A 1 110 ? 1.072   -7.233  19.893 1.00 35.77 ? 110 VAL A O   1 
ATOM   899  C CB  . VAL A 1 110 ? 0.344   -4.992  17.946 1.00 36.28 ? 110 VAL A CB  1 
ATOM   900  C CG1 . VAL A 1 110 ? 1.113   -3.822  18.548 1.00 38.47 ? 110 VAL A CG1 1 
ATOM   901  C CG2 . VAL A 1 110 ? -0.416  -4.650  16.692 1.00 37.94 ? 110 VAL A CG2 1 
ATOM   902  N N   . ARG A 1 111 ? 3.085   -6.389  19.363 1.00 33.80 ? 111 ARG A N   1 
ATOM   903  C CA  . ARG A 1 111 ? 3.643   -6.643  20.687 1.00 37.02 ? 111 ARG A CA  1 
ATOM   904  C C   . ARG A 1 111 ? 4.119   -5.343  21.308 1.00 37.17 ? 111 ARG A C   1 
ATOM   905  O O   . ARG A 1 111 ? 4.579   -4.437  20.615 1.00 35.19 ? 111 ARG A O   1 
ATOM   906  C CB  . ARG A 1 111 ? 4.815   -7.621  20.647 1.00 40.07 ? 111 ARG A CB  1 
ATOM   907  C CG  . ARG A 1 111 ? 4.433   -8.980  20.136 1.00 51.84 ? 111 ARG A CG  1 
ATOM   908  C CD  . ARG A 1 111 ? 3.573   -9.763  21.125 1.00 53.63 ? 111 ARG A CD  1 
ATOM   909  N NE  . ARG A 1 111 ? 3.201   -11.102 20.665 1.00 65.75 ? 111 ARG A NE  1 
ATOM   910  C CZ  . ARG A 1 111 ? 3.979   -11.970 20.021 1.00 70.72 ? 111 ARG A CZ  1 
ATOM   911  N NH1 . ARG A 1 111 ? 5.277   -11.759 19.843 1.00 62.59 ? 111 ARG A NH1 1 
ATOM   912  N NH2 . ARG A 1 111 ? 3.442   -13.096 19.557 1.00 73.05 ? 111 ARG A NH2 1 
ATOM   913  N N   . GLN A 1 112 ? 4.004   -5.258  22.621 1.00 33.39 ? 112 GLN A N   1 
ATOM   914  C CA  . GLN A 1 112 ? 4.586   -4.155  23.359 1.00 34.27 ? 112 GLN A CA  1 
ATOM   915  C C   . GLN A 1 112 ? 5.934   -4.605  23.895 1.00 33.94 ? 112 GLN A C   1 
ATOM   916  O O   . GLN A 1 112 ? 6.075   -5.732  24.379 1.00 34.94 ? 112 GLN A O   1 
ATOM   917  C CB  . GLN A 1 112 ? 3.683   -3.692  24.500 1.00 35.27 ? 112 GLN A CB  1 
ATOM   918  C CG  . GLN A 1 112 ? 4.130   -2.357  25.096 1.00 34.23 ? 112 GLN A CG  1 
ATOM   919  C CD  . GLN A 1 112 ? 3.252   -1.908  26.239 1.00 45.29 ? 112 GLN A CD  1 
ATOM   920  O OE1 . GLN A 1 112 ? 2.312   -2.605  26.623 1.00 47.02 ? 112 GLN A OE1 1 
ATOM   921  N NE2 . GLN A 1 112 ? 3.543   -0.728  26.783 1.00 45.30 ? 112 GLN A NE2 1 
ATOM   922  N N   . VAL A 1 113 ? 6.931   -3.739  23.757 1.00 32.01 ? 113 VAL A N   1 
ATOM   923  C CA  . VAL A 1 113 ? 8.193   -3.919  24.454 1.00 31.97 ? 113 VAL A CA  1 
ATOM   924  C C   . VAL A 1 113 ? 7.968   -3.610  25.926 1.00 28.57 ? 113 VAL A C   1 
ATOM   925  O O   . VAL A 1 113 ? 7.293   -2.630  26.271 1.00 28.82 ? 113 VAL A O   1 
ATOM   926  C CB  . VAL A 1 113 ? 9.262   -2.983  23.856 1.00 28.95 ? 113 VAL A CB  1 
ATOM   927  C CG1 . VAL A 1 113 ? 10.571  -3.117  24.591 1.00 31.61 ? 113 VAL A CG1 1 
ATOM   928  C CG2 . VAL A 1 113 ? 9.452   -3.250  22.370 1.00 28.77 ? 113 VAL A CG2 1 
ATOM   929  N N   . GLN A 1 114 ? 8.511   -4.451  26.806 1.00 31.13 ? 114 GLN A N   1 
ATOM   930  C CA  . GLN A 1 114 ? 8.500   -4.140  28.228 1.00 36.36 ? 114 GLN A CA  1 
ATOM   931  C C   . GLN A 1 114 ? 8.977   -2.703  28.444 1.00 32.62 ? 114 GLN A C   1 
ATOM   932  O O   . GLN A 1 114 ? 10.084  -2.355  28.007 1.00 33.33 ? 114 GLN A O   1 
ATOM   933  C CB  . GLN A 1 114 ? 9.384   -5.117  29.007 1.00 39.25 ? 114 GLN A CB  1 
ATOM   934  C CG  . GLN A 1 114 ? 9.307   -4.939  30.529 1.00 46.29 ? 114 GLN A CG  1 
ATOM   935  C CD  . GLN A 1 114 ? 10.185  -5.921  31.295 1.00 57.57 ? 114 GLN A CD  1 
ATOM   936  O OE1 . GLN A 1 114 ? 10.647  -5.623  32.397 1.00 59.58 ? 114 GLN A OE1 1 
ATOM   937  N NE2 . GLN A 1 114 ? 10.388  -7.110  30.730 1.00 61.99 ? 114 GLN A NE2 1 
ATOM   938  N N   . PRO A 1 115 ? 8.165   -1.841  29.048 1.00 34.00 ? 115 PRO A N   1 
ATOM   939  C CA  . PRO A 1 115 ? 8.531   -0.427  29.148 1.00 33.92 ? 115 PRO A CA  1 
ATOM   940  C C   . PRO A 1 115 ? 9.650   -0.213  30.148 1.00 35.21 ? 115 PRO A C   1 
ATOM   941  O O   . PRO A 1 115 ? 9.898   -1.033  31.035 1.00 32.91 ? 115 PRO A O   1 
ATOM   942  C CB  . PRO A 1 115 ? 7.246   0.255   29.626 1.00 37.88 ? 115 PRO A CB  1 
ATOM   943  C CG  . PRO A 1 115 ? 6.383   -0.823  30.164 1.00 36.26 ? 115 PRO A CG  1 
ATOM   944  C CD  . PRO A 1 115 ? 6.823   -2.126  29.582 1.00 35.98 ? 115 PRO A CD  1 
ATOM   945  N N   . TYR A 1 116 ? 10.310  0.932   30.006 1.00 29.14 ? 116 TYR A N   1 
ATOM   946  C CA  . TYR A 1 116 ? 11.285  1.401   30.991 1.00 31.77 ? 116 TYR A CA  1 
ATOM   947  C C   . TYR A 1 116 ? 12.456  0.438   31.120 1.00 33.88 ? 116 TYR A C   1 
ATOM   948  O O   . TYR A 1 116 ? 13.060  0.316   32.185 1.00 32.56 ? 116 TYR A O   1 
ATOM   949  C CB  . TYR A 1 116 ? 10.618  1.618   32.353 1.00 34.73 ? 116 TYR A CB  1 
ATOM   950  C CG  . TYR A 1 116 ? 9.481   2.588   32.267 1.00 36.84 ? 116 TYR A CG  1 
ATOM   951  C CD1 . TYR A 1 116 ? 9.655   3.838   31.685 1.00 37.16 ? 116 TYR A CD1 1 
ATOM   952  C CD2 . TYR A 1 116 ? 8.213   2.233   32.702 1.00 43.03 ? 116 TYR A CD2 1 
ATOM   953  C CE1 . TYR A 1 116 ? 8.603   4.722   31.583 1.00 38.78 ? 116 TYR A CE1 1 
ATOM   954  C CE2 . TYR A 1 116 ? 7.157   3.111   32.604 1.00 44.82 ? 116 TYR A CE2 1 
ATOM   955  C CZ  . TYR A 1 116 ? 7.357   4.349   32.047 1.00 40.37 ? 116 TYR A CZ  1 
ATOM   956  O OH  . TYR A 1 116 ? 6.298   5.221   31.955 1.00 51.10 ? 116 TYR A OH  1 
ATOM   957  N N   . ASN A 1 117 ? 12.794  -0.237  30.024 1.00 31.80 ? 117 ASN A N   1 
ATOM   958  C CA  . ASN A 1 117 ? 13.809  -1.284  30.033 1.00 30.54 ? 117 ASN A CA  1 
ATOM   959  C C   . ASN A 1 117 ? 14.616  -1.098  28.757 1.00 32.28 ? 117 ASN A C   1 
ATOM   960  O O   . ASN A 1 117 ? 14.154  -1.465  27.673 1.00 29.84 ? 117 ASN A O   1 
ATOM   961  C CB  . ASN A 1 117 ? 13.161  -2.661  30.114 1.00 33.96 ? 117 ASN A CB  1 
ATOM   962  C CG  . ASN A 1 117 ? 14.169  -3.791  30.158 1.00 36.54 ? 117 ASN A CG  1 
ATOM   963  O OD1 . ASN A 1 117 ? 15.262  -3.700  29.606 1.00 34.52 ? 117 ASN A OD1 1 
ATOM   964  N ND2 . ASN A 1 117 ? 13.805  -4.869  30.845 1.00 42.23 ? 117 ASN A ND2 1 
ATOM   965  N N   . GLU A 1 118 ? 15.809  -0.513  28.894 1.00 31.17 ? 118 GLU A N   1 
ATOM   966  C CA  . GLU A 1 118 ? 16.628  -0.255  27.723 1.00 29.72 ? 118 GLU A CA  1 
ATOM   967  C C   . GLU A 1 118 ? 16.982  -1.553  27.015 1.00 32.39 ? 118 GLU A C   1 
ATOM   968  O O   . GLU A 1 118 ? 16.904  -1.646  25.782 1.00 27.50 ? 118 GLU A O   1 
ATOM   969  C CB  . GLU A 1 118 ? 17.895  0.492   28.124 1.00 30.03 ? 118 GLU A CB  1 
ATOM   970  C CG  . GLU A 1 118 ? 18.811  0.733   26.965 1.00 29.47 ? 118 GLU A CG  1 
ATOM   971  C CD  . GLU A 1 118 ? 19.907  1.700   27.320 1.00 29.45 ? 118 GLU A CD  1 
ATOM   972  O OE1 . GLU A 1 118 ? 19.580  2.828   27.757 1.00 31.33 ? 118 GLU A OE1 1 
ATOM   973  O OE2 . GLU A 1 118 ? 21.080  1.324   27.171 1.00 30.29 ? 118 GLU A OE2 1 
ATOM   974  N N   . GLY A 1 119 ? 17.368  -2.574  27.780 1.00 30.16 ? 119 GLY A N   1 
ATOM   975  C CA  . GLY A 1 119 ? 17.775  -3.821  27.161 1.00 26.47 ? 119 GLY A CA  1 
ATOM   976  C C   . GLY A 1 119 ? 16.659  -4.455  26.353 1.00 29.27 ? 119 GLY A C   1 
ATOM   977  O O   . GLY A 1 119 ? 16.899  -5.007  25.278 1.00 29.20 ? 119 GLY A O   1 
ATOM   978  N N   . ALA A 1 120 ? 15.426  -4.384  26.858 1.00 28.79 ? 120 ALA A N   1 
ATOM   979  C CA  . ALA A 1 120 ? 14.303  -4.981  26.139 1.00 29.05 ? 120 ALA A CA  1 
ATOM   980  C C   . ALA A 1 120 ? 14.069  -4.254  24.819 1.00 28.42 ? 120 ALA A C   1 
ATOM   981  O O   . ALA A 1 120 ? 13.776  -4.876  23.795 1.00 27.76 ? 120 ALA A O   1 
ATOM   982  C CB  . ALA A 1 120 ? 13.039  -4.942  27.003 1.00 29.69 ? 120 ALA A CB  1 
ATOM   983  N N   . LEU A 1 121 ? 14.223  -2.934  24.822 1.00 29.03 ? 121 LEU A N   1 
ATOM   984  C CA  . LEU A 1 121 ? 14.081  -2.185  23.579 1.00 26.18 ? 121 LEU A CA  1 
ATOM   985  C C   . LEU A 1 121 ? 15.183  -2.533  22.586 1.00 30.37 ? 121 LEU A C   1 
ATOM   986  O O   . LEU A 1 121 ? 14.916  -2.708  21.391 1.00 29.59 ? 121 LEU A O   1 
ATOM   987  C CB  . LEU A 1 121 ? 14.081  -0.691  23.877 1.00 27.43 ? 121 LEU A CB  1 
ATOM   988  C CG  . LEU A 1 121 ? 13.903  0.211   22.654 1.00 29.71 ? 121 LEU A CG  1 
ATOM   989  C CD1 . LEU A 1 121 ? 12.654  -0.193  21.875 1.00 28.57 ? 121 LEU A CD1 1 
ATOM   990  C CD2 . LEU A 1 121 ? 13.799  1.645   23.135 1.00 29.70 ? 121 LEU A CD2 1 
ATOM   991  N N   . LEU A 1 122 ? 16.436  -2.617  23.048 1.00 23.96 ? 122 LEU A N   1 
ATOM   992  C CA  . LEU A 1 122 ? 17.524  -2.934  22.130 1.00 26.50 ? 122 LEU A CA  1 
ATOM   993  C C   . LEU A 1 122 ? 17.338  -4.313  21.532 1.00 26.43 ? 122 LEU A C   1 
ATOM   994  O O   . LEU A 1 122 ? 17.617  -4.542  20.349 1.00 27.14 ? 122 LEU A O   1 
ATOM   995  C CB  . LEU A 1 122 ? 18.865  -2.868  22.855 1.00 28.09 ? 122 LEU A CB  1 
ATOM   996  C CG  . LEU A 1 122 ? 19.256  -1.531  23.460 1.00 27.06 ? 122 LEU A CG  1 
ATOM   997  C CD1 . LEU A 1 122 ? 20.572  -1.706  24.199 1.00 27.07 ? 122 LEU A CD1 1 
ATOM   998  C CD2 . LEU A 1 122 ? 19.364  -0.481  22.362 1.00 30.50 ? 122 LEU A CD2 1 
ATOM   999  N N   . TYR A 1 123 ? 16.903  -5.261  22.350 1.00 24.12 ? 123 TYR A N   1 
ATOM   1000 C CA  . TYR A 1 123 ? 16.647  -6.589  21.822 1.00 27.76 ? 123 TYR A CA  1 
ATOM   1001 C C   . TYR A 1 123 ? 15.615  -6.533  20.700 1.00 26.90 ? 123 TYR A C   1 
ATOM   1002 O O   . TYR A 1 123 ? 15.759  -7.203  19.672 1.00 29.90 ? 123 TYR A O   1 
ATOM   1003 C CB  . TYR A 1 123 ? 16.190  -7.497  22.959 1.00 27.37 ? 123 TYR A CB  1 
ATOM   1004 C CG  . TYR A 1 123 ? 15.871  -8.879  22.476 1.00 30.89 ? 123 TYR A CG  1 
ATOM   1005 C CD1 . TYR A 1 123 ? 16.891  -9.754  22.116 1.00 35.67 ? 123 TYR A CD1 1 
ATOM   1006 C CD2 . TYR A 1 123 ? 14.556  -9.322  22.389 1.00 41.48 ? 123 TYR A CD2 1 
ATOM   1007 C CE1 . TYR A 1 123 ? 16.614  -11.027 21.669 1.00 38.98 ? 123 TYR A CE1 1 
ATOM   1008 C CE2 . TYR A 1 123 ? 14.267  -10.608 21.950 1.00 36.91 ? 123 TYR A CE2 1 
ATOM   1009 C CZ  . TYR A 1 123 ? 15.305  -11.451 21.593 1.00 47.36 ? 123 TYR A CZ  1 
ATOM   1010 O OH  . TYR A 1 123 ? 15.037  -12.728 21.150 1.00 59.87 ? 123 TYR A OH  1 
ATOM   1011 N N   . SER A 1 124 ? 14.576  -5.720  20.875 1.00 25.43 ? 124 SER A N   1 
ATOM   1012 C CA  . SER A 1 124 ? 13.538  -5.632  19.856 1.00 29.17 ? 124 SER A CA  1 
ATOM   1013 C C   . SER A 1 124 ? 14.080  -5.008  18.576 1.00 28.08 ? 124 SER A C   1 
ATOM   1014 O O   . SER A 1 124 ? 13.802  -5.495  17.472 1.00 29.54 ? 124 SER A O   1 
ATOM   1015 C CB  . SER A 1 124 ? 12.358  -4.819  20.387 1.00 31.57 ? 124 SER A CB  1 
ATOM   1016 O OG  . SER A 1 124 ? 11.824  -5.408  21.558 1.00 38.62 ? 124 SER A OG  1 
ATOM   1017 N N   . ILE A 1 125 ? 14.847  -3.919  18.711 1.00 24.47 ? 125 ILE A N   1 
ATOM   1018 C CA  . ILE A 1 125 ? 15.438  -3.252  17.553 1.00 26.07 ? 125 ILE A CA  1 
ATOM   1019 C C   . ILE A 1 125 ? 16.370  -4.181  16.793 1.00 25.85 ? 125 ILE A C   1 
ATOM   1020 O O   . ILE A 1 125 ? 16.499  -4.091  15.562 1.00 28.41 ? 125 ILE A O   1 
ATOM   1021 C CB  . ILE A 1 125 ? 16.178  -1.988  18.020 1.00 24.58 ? 125 ILE A CB  1 
ATOM   1022 C CG1 . ILE A 1 125 ? 15.227  -1.054  18.778 1.00 28.81 ? 125 ILE A CG1 1 
ATOM   1023 C CG2 . ILE A 1 125 ? 16.838  -1.300  16.828 1.00 27.62 ? 125 ILE A CG2 1 
ATOM   1024 C CD1 . ILE A 1 125 ? 15.955  0.120   19.432 1.00 27.97 ? 125 ILE A CD1 1 
ATOM   1025 N N   . ALA A 1 126 ? 17.064  -5.068  17.503 1.00 28.01 ? 126 ALA A N   1 
ATOM   1026 C CA  . ALA A 1 126 ? 17.950  -5.991  16.816 1.00 26.98 ? 126 ALA A CA  1 
ATOM   1027 C C   . ALA A 1 126 ? 17.167  -6.928  15.916 1.00 27.99 ? 126 ALA A C   1 
ATOM   1028 O O   . ALA A 1 126 ? 17.732  -7.474  14.967 1.00 35.26 ? 126 ALA A O   1 
ATOM   1029 C CB  . ALA A 1 126 ? 18.773  -6.791  17.833 1.00 26.07 ? 126 ALA A CB  1 
ATOM   1030 N N   . ASN A 1 127 ? 15.874  -7.106  16.196 1.00 27.08 ? 127 ASN A N   1 
ATOM   1031 C CA  . ASN A 1 127 ? 15.006  -7.966  15.406 1.00 29.37 ? 127 ASN A CA  1 
ATOM   1032 C C   . ASN A 1 127 ? 14.291  -7.228  14.289 1.00 30.11 ? 127 ASN A C   1 
ATOM   1033 O O   . ASN A 1 127 ? 14.073  -7.803  13.214 1.00 29.64 ? 127 ASN A O   1 
ATOM   1034 C CB  . ASN A 1 127 ? 13.985  -8.639  16.323 1.00 28.53 ? 127 ASN A CB  1 
ATOM   1035 C CG  . ASN A 1 127 ? 14.592  -9.808  17.078 1.00 39.08 ? 127 ASN A CG  1 
ATOM   1036 O OD1 . ASN A 1 127 ? 14.528  -10.942 16.617 1.00 49.41 ? 127 ASN A OD1 1 
ATOM   1037 N ND2 . ASN A 1 127 ? 15.208  -9.533  18.220 1.00 39.53 ? 127 ASN A ND2 1 
ATOM   1038 N N   . GLN A 1 128 ? 13.946  -5.973  14.506 1.00 26.59 ? 128 GLN A N   1 
ATOM   1039 C CA  . GLN A 1 128 ? 13.128  -5.250  13.548 1.00 25.44 ? 128 GLN A CA  1 
ATOM   1040 C C   . GLN A 1 128 ? 12.973  -3.813  14.016 1.00 28.10 ? 128 GLN A C   1 
ATOM   1041 O O   . GLN A 1 128 ? 13.113  -3.525  15.218 1.00 27.64 ? 128 GLN A O   1 
ATOM   1042 C CB  . GLN A 1 128 ? 11.746  -5.879  13.438 1.00 25.84 ? 128 GLN A CB  1 
ATOM   1043 C CG  . GLN A 1 128 ? 11.008  -5.731  14.739 1.00 27.53 ? 128 GLN A CG  1 
ATOM   1044 C CD  . GLN A 1 128 ? 9.794   -6.589  14.795 1.00 36.87 ? 128 GLN A CD  1 
ATOM   1045 O OE1 . GLN A 1 128 ? 9.778   -7.609  15.471 1.00 35.61 ? 128 GLN A OE1 1 
ATOM   1046 N NE2 . GLN A 1 128 ? 8.753   -6.185  14.077 1.00 30.76 ? 128 GLN A NE2 1 
ATOM   1047 N N   . PRO A 1 129 ? 12.629  -2.895  13.121 1.00 26.48 ? 129 PRO A N   1 
ATOM   1048 C CA  . PRO A 1 129 ? 12.310  -1.536  13.569 1.00 26.67 ? 129 PRO A CA  1 
ATOM   1049 C C   . PRO A 1 129 ? 11.141  -1.537  14.541 1.00 23.73 ? 129 PRO A C   1 
ATOM   1050 O O   . PRO A 1 129 ? 10.193  -2.315  14.417 1.00 26.72 ? 129 PRO A O   1 
ATOM   1051 C CB  . PRO A 1 129 ? 11.961  -0.809  12.269 1.00 22.50 ? 129 PRO A CB  1 
ATOM   1052 C CG  . PRO A 1 129 ? 12.712  -1.549  11.229 1.00 25.73 ? 129 PRO A CG  1 
ATOM   1053 C CD  . PRO A 1 129 ? 12.630  -3.000  11.649 1.00 22.68 ? 129 PRO A CD  1 
ATOM   1054 N N   . VAL A 1 130 ? 11.206  -0.640  15.505 1.00 24.06 ? 130 VAL A N   1 
ATOM   1055 C CA  . VAL A 1 130 ? 10.247  -0.586  16.597 1.00 22.36 ? 130 VAL A CA  1 
ATOM   1056 C C   . VAL A 1 130 ? 9.666   0.816   16.646 1.00 29.17 ? 130 VAL A C   1 
ATOM   1057 O O   . VAL A 1 130 ? 10.382  1.802   16.438 1.00 26.73 ? 130 VAL A O   1 
ATOM   1058 C CB  . VAL A 1 130 ? 10.933  -0.944  17.936 1.00 26.16 ? 130 VAL A CB  1 
ATOM   1059 C CG1 . VAL A 1 130 ? 9.971   -0.817  19.110 1.00 29.90 ? 130 VAL A CG1 1 
ATOM   1060 C CG2 . VAL A 1 130 ? 11.499  -2.348  17.850 1.00 30.00 ? 130 VAL A CG2 1 
ATOM   1061 N N   . SER A 1 131 ? 8.369   0.906   16.911 1.00 23.04 ? 131 SER A N   1 
ATOM   1062 C CA  . SER A 1 131 ? 7.744   2.193   17.155 1.00 26.03 ? 131 SER A CA  1 
ATOM   1063 C C   . SER A 1 131 ? 8.018   2.624   18.590 1.00 30.09 ? 131 SER A C   1 
ATOM   1064 O O   . SER A 1 131 ? 7.792   1.863   19.533 1.00 26.54 ? 131 SER A O   1 
ATOM   1065 C CB  . SER A 1 131 ? 6.239   2.104   16.913 1.00 24.31 ? 131 SER A CB  1 
ATOM   1066 O OG  . SER A 1 131 ? 5.628   3.279   17.369 1.00 25.18 ? 131 SER A OG  1 
ATOM   1067 N N   . VAL A 1 132 ? 8.519   3.843   18.763 1.00 21.87 ? 132 VAL A N   1 
ATOM   1068 C CA  . VAL A 1 132 ? 8.852   4.335   20.091 1.00 22.33 ? 132 VAL A CA  1 
ATOM   1069 C C   . VAL A 1 132 ? 8.339   5.754   20.198 1.00 25.01 ? 132 VAL A C   1 
ATOM   1070 O O   . VAL A 1 132 ? 8.090   6.420   19.198 1.00 24.99 ? 132 VAL A O   1 
ATOM   1071 C CB  . VAL A 1 132 ? 10.370  4.289   20.381 1.00 26.16 ? 132 VAL A CB  1 
ATOM   1072 C CG1 . VAL A 1 132 ? 10.906  2.848   20.255 1.00 28.71 ? 132 VAL A CG1 1 
ATOM   1073 C CG2 . VAL A 1 132 ? 11.121  5.224   19.413 1.00 24.09 ? 132 VAL A CG2 1 
ATOM   1074 N N   . VAL A 1 133 ? 8.173   6.220   21.430 1.00 22.41 ? 133 VAL A N   1 
ATOM   1075 C CA  . VAL A 1 133 ? 7.701   7.582   21.619 1.00 24.26 ? 133 VAL A CA  1 
ATOM   1076 C C   . VAL A 1 133 ? 8.767   8.345   22.385 1.00 28.05 ? 133 VAL A C   1 
ATOM   1077 O O   . VAL A 1 133 ? 9.586   7.769   23.107 1.00 29.09 ? 133 VAL A O   1 
ATOM   1078 C CB  . VAL A 1 133 ? 6.343   7.648   22.346 1.00 27.59 ? 133 VAL A CB  1 
ATOM   1079 C CG1 . VAL A 1 133 ? 5.272   6.921   21.549 1.00 32.87 ? 133 VAL A CG1 1 
ATOM   1080 C CG2 . VAL A 1 133 ? 6.468   7.062   23.754 1.00 30.61 ? 133 VAL A CG2 1 
ATOM   1081 N N   . LEU A 1 134 ? 8.743   9.659   22.231 1.00 24.01 ? 134 LEU A N   1 
ATOM   1082 C CA  . LEU A 1 134 ? 9.663   10.504  22.963 1.00 25.05 ? 134 LEU A CA  1 
ATOM   1083 C C   . LEU A 1 134 ? 9.024   11.873  23.104 1.00 27.42 ? 134 LEU A C   1 
ATOM   1084 O O   . LEU A 1 134 ? 8.006   12.176  22.476 1.00 25.75 ? 134 LEU A O   1 
ATOM   1085 C CB  . LEU A 1 134 ? 11.031  10.585  22.268 1.00 22.00 ? 134 LEU A CB  1 
ATOM   1086 C CG  . LEU A 1 134 ? 11.083  10.713  20.750 1.00 28.71 ? 134 LEU A CG  1 
ATOM   1087 C CD1 . LEU A 1 134 ? 10.571  12.047  20.245 1.00 31.11 ? 134 LEU A CD1 1 
ATOM   1088 C CD2 . LEU A 1 134 ? 12.528  10.556  20.321 1.00 30.11 ? 134 LEU A CD2 1 
ATOM   1089 N N   . GLU A 1 135 ? 9.638   12.695  23.940 1.00 23.08 ? 135 GLU A N   1 
ATOM   1090 C CA  . GLU A 1 135 ? 9.245   14.087  24.083 1.00 26.22 ? 135 GLU A CA  1 
ATOM   1091 C C   . GLU A 1 135 ? 9.986   14.868  23.013 1.00 26.21 ? 135 GLU A C   1 
ATOM   1092 O O   . GLU A 1 135 ? 11.217  14.947  23.032 1.00 26.27 ? 135 GLU A O   1 
ATOM   1093 C CB  . GLU A 1 135 ? 9.579   14.602  25.478 1.00 27.92 ? 135 GLU A CB  1 
ATOM   1094 C CG  . GLU A 1 135 ? 9.224   16.056  25.681 1.00 26.43 ? 135 GLU A CG  1 
ATOM   1095 C CD  . GLU A 1 135 ? 9.942   16.615  26.874 1.00 30.59 ? 135 GLU A CD  1 
ATOM   1096 O OE1 . GLU A 1 135 ? 9.475   16.368  28.003 1.00 33.27 ? 135 GLU A OE1 1 
ATOM   1097 O OE2 . GLU A 1 135 ? 11.014  17.225  26.662 1.00 29.12 ? 135 GLU A OE2 1 
ATOM   1098 N N   . ALA A 1 136 ? 9.244   15.420  22.062 1.00 25.18 ? 136 ALA A N   1 
ATOM   1099 C CA  . ALA A 1 136 ? 9.841   16.199  20.994 1.00 28.34 ? 136 ALA A CA  1 
ATOM   1100 C C   . ALA A 1 136 ? 9.498   17.675  21.096 1.00 32.78 ? 136 ALA A C   1 
ATOM   1101 O O   . ALA A 1 136 ? 9.952   18.457  20.261 1.00 32.28 ? 136 ALA A O   1 
ATOM   1102 C CB  . ALA A 1 136 ? 9.393   15.660  19.632 1.00 25.71 ? 136 ALA A CB  1 
ATOM   1103 N N   . ALA A 1 137 ? 8.711   18.071  22.100 1.00 32.01 ? 137 ALA A N   1 
ATOM   1104 C CA  . ALA A 1 137 ? 8.273   19.461  22.202 1.00 36.32 ? 137 ALA A CA  1 
ATOM   1105 C C   . ALA A 1 137 ? 9.428   20.395  22.516 1.00 36.33 ? 137 ALA A C   1 
ATOM   1106 O O   . ALA A 1 137 ? 9.371   21.581  22.178 1.00 32.40 ? 137 ALA A O   1 
ATOM   1107 C CB  . ALA A 1 137 ? 7.202   19.601  23.281 1.00 35.44 ? 137 ALA A CB  1 
ATOM   1108 N N   . GLY A 1 138 ? 10.472  19.887  23.164 1.00 30.80 ? 138 GLY A N   1 
ATOM   1109 C CA  . GLY A 1 138 ? 11.565  20.745  23.576 1.00 33.52 ? 138 GLY A CA  1 
ATOM   1110 C C   . GLY A 1 138 ? 12.293  21.336  22.383 1.00 31.39 ? 138 GLY A C   1 
ATOM   1111 O O   . GLY A 1 138 ? 12.482  20.693  21.349 1.00 29.41 ? 138 GLY A O   1 
ATOM   1112 N N   . LYS A 1 139 ? 12.701  22.591  22.535 1.00 29.19 ? 139 LYS A N   1 
ATOM   1113 C CA  . LYS A 1 139 ? 13.416  23.288  21.479 1.00 32.23 ? 139 LYS A CA  1 
ATOM   1114 C C   . LYS A 1 139 ? 14.728  22.590  21.122 1.00 31.59 ? 139 LYS A C   1 
ATOM   1115 O O   . LYS A 1 139 ? 15.139  22.603  19.957 1.00 29.45 ? 139 LYS A O   1 
ATOM   1116 C CB  . LYS A 1 139 ? 13.630  24.736  21.947 1.00 34.88 ? 139 LYS A CB  1 
ATOM   1117 C CG  . LYS A 1 139 ? 14.192  25.708  20.952 1.00 50.19 ? 139 LYS A CG  1 
ATOM   1118 C CD  . LYS A 1 139 ? 14.785  26.903  21.717 1.00 60.03 ? 139 LYS A CD  1 
ATOM   1119 C CE  . LYS A 1 139 ? 15.506  27.882  20.802 1.00 59.45 ? 139 LYS A CE  1 
ATOM   1120 N NZ  . LYS A 1 139 ? 15.514  29.266  21.361 1.00 59.85 ? 139 LYS A NZ  1 
ATOM   1121 N N   . ASP A 1 140 ? 15.387  21.950  22.094 1.00 31.30 ? 140 ASP A N   1 
ATOM   1122 C CA  . ASP A 1 140 ? 16.640  21.262  21.784 1.00 28.34 ? 140 ASP A CA  1 
ATOM   1123 C C   . ASP A 1 140 ? 16.421  20.109  20.815 1.00 26.66 ? 140 ASP A C   1 
ATOM   1124 O O   . ASP A 1 140 ? 17.213  19.903  19.891 1.00 29.44 ? 140 ASP A O   1 
ATOM   1125 C CB  . ASP A 1 140 ? 17.287  20.762  23.064 1.00 30.55 ? 140 ASP A CB  1 
ATOM   1126 C CG  . ASP A 1 140 ? 17.661  21.885  23.968 1.00 27.38 ? 140 ASP A CG  1 
ATOM   1127 O OD1 . ASP A 1 140 ? 18.718  22.503  23.716 1.00 30.08 ? 140 ASP A OD1 1 
ATOM   1128 O OD2 . ASP A 1 140 ? 16.892  22.151  24.910 1.00 30.30 ? 140 ASP A OD2 1 
ATOM   1129 N N   . PHE A 1 141 ? 15.349  19.349  21.017 1.00 27.49 ? 141 PHE A N   1 
ATOM   1130 C CA  . PHE A 1 141 ? 15.010  18.298  20.068 1.00 27.09 ? 141 PHE A CA  1 
ATOM   1131 C C   . PHE A 1 141 ? 14.662  18.890  18.715 1.00 28.44 ? 141 PHE A C   1 
ATOM   1132 O O   . PHE A 1 141 ? 15.113  18.405  17.674 1.00 25.84 ? 141 PHE A O   1 
ATOM   1133 C CB  . PHE A 1 141 ? 13.837  17.493  20.598 1.00 25.18 ? 141 PHE A CB  1 
ATOM   1134 C CG  . PHE A 1 141 ? 13.563  16.265  19.804 1.00 27.04 ? 141 PHE A CG  1 
ATOM   1135 C CD1 . PHE A 1 141 ? 12.736  16.310  18.690 1.00 30.53 ? 141 PHE A CD1 1 
ATOM   1136 C CD2 . PHE A 1 141 ? 14.173  15.067  20.149 1.00 29.64 ? 141 PHE A CD2 1 
ATOM   1137 C CE1 . PHE A 1 141 ? 12.504  15.172  17.936 1.00 28.38 ? 141 PHE A CE1 1 
ATOM   1138 C CE2 . PHE A 1 141 ? 13.949  13.921  19.399 1.00 30.19 ? 141 PHE A CE2 1 
ATOM   1139 C CZ  . PHE A 1 141 ? 13.117  13.973  18.295 1.00 28.94 ? 141 PHE A CZ  1 
ATOM   1140 N N   . GLN A 1 142 ? 13.848  19.937  18.704 1.00 29.26 ? 142 GLN A N   1 
ATOM   1141 C CA  . GLN A 1 142 ? 13.391  20.456  17.425 1.00 32.81 ? 142 GLN A CA  1 
ATOM   1142 C C   . GLN A 1 142 ? 14.533  21.040  16.609 1.00 34.25 ? 142 GLN A C   1 
ATOM   1143 O O   . GLN A 1 142 ? 14.542  20.911  15.380 1.00 33.03 ? 142 GLN A O   1 
ATOM   1144 C CB  . GLN A 1 142 ? 12.293  21.482  17.656 1.00 34.68 ? 142 GLN A CB  1 
ATOM   1145 C CG  . GLN A 1 142 ? 11.112  20.836  18.304 1.00 36.83 ? 142 GLN A CG  1 
ATOM   1146 C CD  . GLN A 1 142 ? 9.846   21.581  18.049 1.00 49.79 ? 142 GLN A CD  1 
ATOM   1147 O OE1 . GLN A 1 142 ? 9.851   22.802  17.886 1.00 53.50 ? 142 GLN A OE1 1 
ATOM   1148 N NE2 . GLN A 1 142 ? 8.733   20.850  18.014 1.00 55.15 ? 142 GLN A NE2 1 
ATOM   1149 N N   . LEU A 1 143 ? 15.511  21.651  17.267 1.00 29.80 ? 143 LEU A N   1 
ATOM   1150 C CA  . LEU A 1 143 ? 16.658  22.251  16.599 1.00 32.05 ? 143 LEU A CA  1 
ATOM   1151 C C   . LEU A 1 143 ? 17.799  21.273  16.397 1.00 31.92 ? 143 LEU A C   1 
ATOM   1152 O O   . LEU A 1 143 ? 18.878  21.676  15.955 1.00 32.39 ? 143 LEU A O   1 
ATOM   1153 C CB  . LEU A 1 143 ? 17.157  23.462  17.394 1.00 38.14 ? 143 LEU A CB  1 
ATOM   1154 C CG  . LEU A 1 143 ? 16.149  24.601  17.515 1.00 41.93 ? 143 LEU A CG  1 
ATOM   1155 C CD1 . LEU A 1 143 ? 16.829  25.855  18.054 1.00 46.86 ? 143 LEU A CD1 1 
ATOM   1156 C CD2 . LEU A 1 143 ? 15.490  24.880  16.171 1.00 39.68 ? 143 LEU A CD2 1 
ATOM   1157 N N   . TYR A 1 144 ? 17.588  19.998  16.698 1.00 29.41 ? 144 TYR A N   1 
ATOM   1158 C CA  . TYR A 1 144 ? 18.657  19.019  16.554 1.00 30.45 ? 144 TYR A CA  1 
ATOM   1159 C C   . TYR A 1 144 ? 19.166  18.969  15.123 1.00 29.99 ? 144 TYR A C   1 
ATOM   1160 O O   . TYR A 1 144 ? 18.392  18.769  14.184 1.00 30.41 ? 144 TYR A O   1 
ATOM   1161 C CB  . TYR A 1 144 ? 18.149  17.644  16.963 1.00 28.53 ? 144 TYR A CB  1 
ATOM   1162 C CG  . TYR A 1 144 ? 19.082  16.497  16.621 1.00 27.04 ? 144 TYR A CG  1 
ATOM   1163 C CD1 . TYR A 1 144 ? 20.184  16.213  17.419 1.00 25.24 ? 144 TYR A CD1 1 
ATOM   1164 C CD2 . TYR A 1 144 ? 18.822  15.667  15.532 1.00 23.29 ? 144 TYR A CD2 1 
ATOM   1165 C CE1 . TYR A 1 144 ? 21.017  15.141  17.122 1.00 25.50 ? 144 TYR A CE1 1 
ATOM   1166 C CE2 . TYR A 1 144 ? 19.657  14.612  15.221 1.00 24.16 ? 144 TYR A CE2 1 
ATOM   1167 C CZ  . TYR A 1 144 ? 20.735  14.337  16.035 1.00 26.21 ? 144 TYR A CZ  1 
ATOM   1168 O OH  . TYR A 1 144 ? 21.546  13.265  15.754 1.00 23.76 ? 144 TYR A OH  1 
ATOM   1169 N N   . ARG A 1 145 ? 20.477  19.117  14.954 1.00 30.98 ? 145 ARG A N   1 
ATOM   1170 C CA  . ARG A 1 145 ? 21.060  19.008  13.627 1.00 36.43 ? 145 ARG A CA  1 
ATOM   1171 C C   . ARG A 1 145 ? 22.067  17.878  13.505 1.00 31.61 ? 145 ARG A C   1 
ATOM   1172 O O   . ARG A 1 145 ? 22.564  17.633  12.403 1.00 40.40 ? 145 ARG A O   1 
ATOM   1173 C CB  . ARG A 1 145 ? 21.705  20.337  13.197 1.00 45.02 ? 145 ARG A CB  1 
ATOM   1174 C CG  . ARG A 1 145 ? 20.864  21.567  13.559 1.00 54.45 ? 145 ARG A CG  1 
ATOM   1175 C CD  . ARG A 1 145 ? 21.600  22.937  13.570 1.00 71.93 ? 145 ARG A CD  1 
ATOM   1176 N NE  . ARG A 1 145 ? 22.932  22.952  14.170 1.00 79.22 ? 145 ARG A NE  1 
ATOM   1177 C CZ  . ARG A 1 145 ? 24.048  22.576  13.555 1.00 88.28 ? 145 ARG A CZ  1 
ATOM   1178 N NH1 . ARG A 1 145 ? 24.052  22.234  12.275 1.00 76.13 ? 145 ARG A NH1 1 
ATOM   1179 N NH2 . ARG A 1 145 ? 25.193  22.569  14.233 1.00 96.64 ? 145 ARG A NH2 1 
ATOM   1180 N N   . GLY A 1 146 ? 22.356  17.167  14.576 1.00 35.24 ? 146 GLY A N   1 
ATOM   1181 C CA  . GLY A 1 146 ? 23.284  16.061  14.474 1.00 29.83 ? 146 GLY A CA  1 
ATOM   1182 C C   . GLY A 1 146 ? 23.976  15.818  15.792 1.00 30.21 ? 146 GLY A C   1 
ATOM   1183 O O   . GLY A 1 146 ? 23.877  16.596  16.739 1.00 33.60 ? 146 GLY A O   1 
ATOM   1184 N N   . GLY A 1 147 ? 24.692  14.714  15.835 1.00 30.09 ? 147 GLY A N   1 
ATOM   1185 C CA  . GLY A 1 147 ? 25.369  14.307  17.044 1.00 29.25 ? 147 GLY A CA  1 
ATOM   1186 C C   . GLY A 1 147 ? 24.533  13.315  17.812 1.00 30.14 ? 147 GLY A C   1 
ATOM   1187 O O   . GLY A 1 147 ? 23.428  12.933  17.419 1.00 30.14 ? 147 GLY A O   1 
ATOM   1188 N N   . ILE A 1 148 ? 25.087  12.859  18.919 1.00 29.27 ? 148 ILE A N   1 
ATOM   1189 C CA  . ILE A 1 148 ? 24.335  12.012  19.822 1.00 26.75 ? 148 ILE A CA  1 
ATOM   1190 C C   . ILE A 1 148 ? 23.548  12.932  20.745 1.00 31.46 ? 148 ILE A C   1 
ATOM   1191 O O   . ILE A 1 148 ? 24.129  13.739  21.477 1.00 33.75 ? 148 ILE A O   1 
ATOM   1192 C CB  . ILE A 1 148 ? 25.266  11.074  20.593 1.00 30.33 ? 148 ILE A CB  1 
ATOM   1193 C CG1 . ILE A 1 148 ? 25.829  10.057  19.596 1.00 33.57 ? 148 ILE A CG1 1 
ATOM   1194 C CG2 . ILE A 1 148 ? 24.508  10.391  21.698 1.00 31.09 ? 148 ILE A CG2 1 
ATOM   1195 C CD1 . ILE A 1 148 ? 26.544  8.953   20.202 1.00 38.44 ? 148 ILE A CD1 1 
ATOM   1196 N N   . PHE A 1 149 ? 22.228  12.842  20.678 1.00 26.30 ? 149 PHE A N   1 
ATOM   1197 C CA  . PHE A 1 149 ? 21.373  13.770  21.413 1.00 25.94 ? 149 PHE A CA  1 
ATOM   1198 C C   . PHE A 1 149 ? 21.204  13.304  22.849 1.00 27.66 ? 149 PHE A C   1 
ATOM   1199 O O   . PHE A 1 149 ? 20.787  12.171  23.089 1.00 29.53 ? 149 PHE A O   1 
ATOM   1200 C CB  . PHE A 1 149 ? 20.019  13.890  20.721 1.00 24.25 ? 149 PHE A CB  1 
ATOM   1201 C CG  . PHE A 1 149 ? 19.119  14.904  21.339 1.00 22.52 ? 149 PHE A CG  1 
ATOM   1202 C CD1 . PHE A 1 149 ? 19.351  16.257  21.127 1.00 25.67 ? 149 PHE A CD1 1 
ATOM   1203 C CD2 . PHE A 1 149 ? 18.019  14.523  22.078 1.00 24.01 ? 149 PHE A CD2 1 
ATOM   1204 C CE1 . PHE A 1 149 ? 18.513  17.206  21.682 1.00 28.51 ? 149 PHE A CE1 1 
ATOM   1205 C CE2 . PHE A 1 149 ? 17.164  15.490  22.630 1.00 26.15 ? 149 PHE A CE2 1 
ATOM   1206 C CZ  . PHE A 1 149 ? 17.421  16.816  22.430 1.00 29.62 ? 149 PHE A CZ  1 
ATOM   1207 N N   . VAL A 1 150 ? 21.524  14.178  23.804 1.00 26.53 ? 150 VAL A N   1 
ATOM   1208 C CA  . VAL A 1 150 ? 21.382  13.879  25.227 1.00 33.37 ? 150 VAL A CA  1 
ATOM   1209 C C   . VAL A 1 150 ? 20.283  14.691  25.864 1.00 30.50 ? 150 VAL A C   1 
ATOM   1210 O O   . VAL A 1 150 ? 20.047  14.567  27.074 1.00 37.61 ? 150 VAL A O   1 
ATOM   1211 C CB  . VAL A 1 150 ? 22.705  14.099  25.987 1.00 33.94 ? 150 VAL A CB  1 
ATOM   1212 C CG1 . VAL A 1 150 ? 23.814  13.311  25.346 1.00 33.48 ? 150 VAL A CG1 1 
ATOM   1213 C CG2 . VAL A 1 150 ? 23.060  15.587  26.022 1.00 37.35 ? 150 VAL A CG2 1 
ATOM   1214 N N   . GLY A 1 151 ? 19.583  15.504  25.089 1.00 31.79 ? 151 GLY A N   1 
ATOM   1215 C CA  . GLY A 1 151 ? 18.679  16.455  25.662 1.00 29.48 ? 151 GLY A CA  1 
ATOM   1216 C C   . GLY A 1 151 ? 19.276  17.843  25.601 1.00 28.36 ? 151 GLY A C   1 
ATOM   1217 O O   . GLY A 1 151 ? 20.173  18.128  24.801 1.00 32.57 ? 151 GLY A O   1 
ATOM   1218 N N   . PRO A 1 152 ? 18.797  18.732  26.462 1.00 27.51 ? 152 PRO A N   1 
ATOM   1219 C CA  . PRO A 1 152 ? 17.787  18.468  27.498 1.00 27.41 ? 152 PRO A CA  1 
ATOM   1220 C C   . PRO A 1 152 ? 16.416  18.161  26.935 1.00 31.68 ? 152 PRO A C   1 
ATOM   1221 O O   . PRO A 1 152 ? 16.002  18.614  25.865 1.00 27.81 ? 152 PRO A O   1 
ATOM   1222 C CB  . PRO A 1 152 ? 17.778  19.749  28.344 1.00 32.74 ? 152 PRO A CB  1 
ATOM   1223 C CG  . PRO A 1 152 ? 18.837  20.643  27.819 1.00 27.44 ? 152 PRO A CG  1 
ATOM   1224 C CD  . PRO A 1 152 ? 19.399  20.071  26.555 1.00 25.98 ? 152 PRO A CD  1 
ATOM   1225 N N   . CYS A 1 153 ? 15.724  17.309  27.673 1.00 29.44 ? 153 CYS A N   1 
ATOM   1226 C CA  . CYS A 1 153 ? 14.340  16.978  27.411 1.00 31.57 ? 153 CYS A CA  1 
ATOM   1227 C C   . CYS A 1 153 ? 13.784  16.334  28.671 1.00 33.62 ? 153 CYS A C   1 
ATOM   1228 O O   . CYS A 1 153 ? 14.530  15.771  29.477 1.00 30.02 ? 153 CYS A O   1 
ATOM   1229 C CB  . CYS A 1 153 ? 14.221  16.040  26.215 1.00 28.18 ? 153 CYS A CB  1 
ATOM   1230 S SG  . CYS A 1 153 ? 15.279  14.592  26.417 1.00 30.60 ? 153 CYS A SG  1 
ATOM   1231 N N   . GLY A 1 154 ? 12.484  16.454  28.845 1.00 34.68 ? 154 GLY A N   1 
ATOM   1232 C CA  . GLY A 1 154 ? 11.777  15.745  29.887 1.00 35.08 ? 154 GLY A CA  1 
ATOM   1233 C C   . GLY A 1 154 ? 11.247  14.433  29.360 1.00 32.72 ? 154 GLY A C   1 
ATOM   1234 O O   . GLY A 1 154 ? 11.671  13.934  28.316 1.00 34.22 ? 154 GLY A O   1 
ATOM   1235 N N   A ASN A 1 155 ? 10.288  13.867  30.089 0.53 33.28 ? 155 ASN A N   1 
ATOM   1236 N N   B ASN A 1 155 ? 10.296  13.875  30.107 0.47 33.30 ? 155 ASN A N   1 
ATOM   1237 C CA  A ASN A 1 155 ? 9.696   12.589  29.718 0.53 33.83 ? 155 ASN A CA  1 
ATOM   1238 C CA  B ASN A 1 155 ? 9.677   12.592  29.807 0.47 33.85 ? 155 ASN A CA  1 
ATOM   1239 C C   A ASN A 1 155 ? 8.234   12.732  29.315 0.53 34.03 ? 155 ASN A C   1 
ATOM   1240 C C   B ASN A 1 155 ? 8.230   12.737  29.350 0.47 34.03 ? 155 ASN A C   1 
ATOM   1241 O O   A ASN A 1 155 ? 7.498   11.740  29.318 0.53 33.74 ? 155 ASN A O   1 
ATOM   1242 O O   B ASN A 1 155 ? 7.498   11.741  29.334 0.47 33.73 ? 155 ASN A O   1 
ATOM   1243 C CB  A ASN A 1 155 ? 9.818   11.589  30.868 0.53 35.70 ? 155 ASN A CB  1 
ATOM   1244 C CB  B ASN A 1 155 ? 9.739   11.675  31.037 0.47 35.67 ? 155 ASN A CB  1 
ATOM   1245 C CG  A ASN A 1 155 ? 9.108   12.061  32.113 0.53 36.37 ? 155 ASN A CG  1 
ATOM   1246 C CG  B ASN A 1 155 ? 11.161  11.424  31.520 0.47 35.88 ? 155 ASN A CG  1 
ATOM   1247 O OD1 A ASN A 1 155 ? 8.871   13.258  32.284 0.53 35.21 ? 155 ASN A OD1 1 
ATOM   1248 O OD1 B ASN A 1 155 ? 12.031  11.033  30.748 0.47 39.35 ? 155 ASN A OD1 1 
ATOM   1249 N ND2 A ASN A 1 155 ? 8.756   11.124  32.989 0.53 38.87 ? 155 ASN A ND2 1 
ATOM   1250 N ND2 B ASN A 1 155 ? 11.400  11.657  32.806 0.47 38.48 ? 155 ASN A ND2 1 
ATOM   1251 N N   . LYS A 1 156 ? 7.790   13.950  28.995 1.00 31.32 ? 156 LYS A N   1 
ATOM   1252 C CA  . LYS A 1 156 ? 6.409   14.174  28.550 1.00 35.71 ? 156 LYS A CA  1 
ATOM   1253 C C   . LYS A 1 156 ? 6.299   13.781  27.078 1.00 30.35 ? 156 LYS A C   1 
ATOM   1254 O O   . LYS A 1 156 ? 6.304   14.619  26.170 1.00 34.90 ? 156 LYS A O   1 
ATOM   1255 C CB  . LYS A 1 156 ? 5.970   15.621  28.758 1.00 34.16 ? 156 LYS A CB  1 
ATOM   1256 C CG  . LYS A 1 156 ? 6.530   16.296  30.004 1.00 42.88 ? 156 LYS A CG  1 
ATOM   1257 C CD  . LYS A 1 156 ? 6.663   17.810  29.808 1.00 55.08 ? 156 LYS A CD  1 
ATOM   1258 C CE  . LYS A 1 156 ? 7.904   18.372  30.496 1.00 55.19 ? 156 LYS A CE  1 
ATOM   1259 N NZ  . LYS A 1 156 ? 9.173   18.019  29.794 1.00 44.54 ? 156 LYS A NZ  1 
ATOM   1260 N N   . VAL A 1 157 ? 6.177   12.479  26.848 1.00 31.02 ? 157 VAL A N   1 
ATOM   1261 C CA  . VAL A 1 157 ? 6.264   11.968  25.485 1.00 28.04 ? 157 VAL A CA  1 
ATOM   1262 C C   . VAL A 1 157 ? 5.091   12.487  24.670 1.00 33.06 ? 157 VAL A C   1 
ATOM   1263 O O   . VAL A 1 157 ? 3.950   12.577  25.152 1.00 27.95 ? 157 VAL A O   1 
ATOM   1264 C CB  . VAL A 1 157 ? 6.338   10.433  25.473 1.00 31.16 ? 157 VAL A CB  1 
ATOM   1265 C CG1 . VAL A 1 157 ? 7.646   9.984   26.115 1.00 28.07 ? 157 VAL A CG1 1 
ATOM   1266 C CG2 . VAL A 1 157 ? 5.139   9.820   26.163 1.00 31.20 ? 157 VAL A CG2 1 
ATOM   1267 N N   . ASP A 1 158 ? 5.378   12.863  23.433 1.00 25.21 ? 158 ASP A N   1 
ATOM   1268 C CA  . ASP A 1 158 ? 4.367   13.530  22.620 1.00 26.81 ? 158 ASP A CA  1 
ATOM   1269 C C   . ASP A 1 158 ? 4.545   13.221  21.144 1.00 28.27 ? 158 ASP A C   1 
ATOM   1270 O O   . ASP A 1 158 ? 3.830   13.803  20.318 1.00 27.86 ? 158 ASP A O   1 
ATOM   1271 C CB  . ASP A 1 158 ? 4.430   15.045  22.881 1.00 22.59 ? 158 ASP A CB  1 
ATOM   1272 C CG  . ASP A 1 158 ? 5.766   15.651  22.479 1.00 33.68 ? 158 ASP A CG  1 
ATOM   1273 O OD1 . ASP A 1 158 ? 6.642   14.929  21.952 1.00 29.96 ? 158 ASP A OD1 1 
ATOM   1274 O OD2 . ASP A 1 158 ? 5.961   16.848  22.742 1.00 39.38 ? 158 ASP A OD2 1 
ATOM   1275 N N   . HIS A 1 159 ? 5.458   12.327  20.786 1.00 23.90 ? 159 HIS A N   1 
ATOM   1276 C CA  . HIS A 1 159 ? 5.877   12.203  19.392 1.00 22.73 ? 159 HIS A CA  1 
ATOM   1277 C C   . HIS A 1 159 ? 6.312   10.775  19.157 1.00 27.46 ? 159 HIS A C   1 
ATOM   1278 O O   . HIS A 1 159 ? 7.245   10.299  19.812 1.00 29.62 ? 159 HIS A O   1 
ATOM   1279 C CB  . HIS A 1 159 ? 7.026   13.146  19.076 1.00 22.87 ? 159 HIS A CB  1 
ATOM   1280 C CG  . HIS A 1 159 ? 7.422   13.146  17.633 1.00 25.34 ? 159 HIS A CG  1 
ATOM   1281 N ND1 . HIS A 1 159 ? 6.526   13.420  16.623 1.00 27.58 ? 159 HIS A ND1 1 
ATOM   1282 C CD2 . HIS A 1 159 ? 8.617   12.943  17.029 1.00 24.23 ? 159 HIS A CD2 1 
ATOM   1283 C CE1 . HIS A 1 159 ? 7.149   13.371  15.456 1.00 26.98 ? 159 HIS A CE1 1 
ATOM   1284 N NE2 . HIS A 1 159 ? 8.420   13.095  15.676 1.00 25.29 ? 159 HIS A NE2 1 
ATOM   1285 N N   . ALA A 1 160 ? 5.648   10.112  18.221 1.00 23.18 ? 160 ALA A N   1 
ATOM   1286 C CA  . ALA A 1 160 ? 5.966   8.744   17.857 1.00 24.39 ? 160 ALA A CA  1 
ATOM   1287 C C   . ALA A 1 160 ? 6.980   8.763   16.730 1.00 23.15 ? 160 ALA A C   1 
ATOM   1288 O O   . ALA A 1 160 ? 6.828   9.512   15.765 1.00 25.33 ? 160 ALA A O   1 
ATOM   1289 C CB  . ALA A 1 160 ? 4.711   7.996   17.415 1.00 25.19 ? 160 ALA A CB  1 
ATOM   1290 N N   . VAL A 1 161 ? 8.019   7.958   16.868 1.00 22.29 ? 161 VAL A N   1 
ATOM   1291 C CA  . VAL A 1 161 ? 9.030   7.837   15.833 1.00 20.79 ? 161 VAL A CA  1 
ATOM   1292 C C   . VAL A 1 161 ? 9.307   6.352   15.719 1.00 23.06 ? 161 VAL A C   1 
ATOM   1293 O O   . VAL A 1 161 ? 8.567   5.534   16.274 1.00 24.96 ? 161 VAL A O   1 
ATOM   1294 C CB  . VAL A 1 161 ? 10.295  8.636   16.181 1.00 24.18 ? 161 VAL A CB  1 
ATOM   1295 C CG1 . VAL A 1 161 ? 10.041  10.116  16.016 1.00 23.99 ? 161 VAL A CG1 1 
ATOM   1296 C CG2 . VAL A 1 161 ? 10.695  8.368   17.635 1.00 26.67 ? 161 VAL A CG2 1 
ATOM   1297 N N   . ALA A 1 162 ? 10.365  5.983   15.016 1.00 23.88 ? 162 ALA A N   1 
ATOM   1298 C CA  . ALA A 1 162 ? 10.690  4.579   14.850 1.00 27.41 ? 162 ALA A CA  1 
ATOM   1299 C C   . ALA A 1 162 ? 12.172  4.385   15.109 1.00 26.57 ? 162 ALA A C   1 
ATOM   1300 O O   . ALA A 1 162 ? 13.006  5.101   14.547 1.00 25.90 ? 162 ALA A O   1 
ATOM   1301 C CB  . ALA A 1 162 ? 10.321  4.097   13.447 1.00 25.51 ? 162 ALA A CB  1 
ATOM   1302 N N   . ALA A 1 163 ? 12.498  3.413   15.949 1.00 20.99 ? 163 ALA A N   1 
ATOM   1303 C CA  . ALA A 1 163 ? 13.882  3.085   16.236 1.00 24.13 ? 163 ALA A CA  1 
ATOM   1304 C C   . ALA A 1 163 ? 14.322  2.076   15.193 1.00 24.91 ? 163 ALA A C   1 
ATOM   1305 O O   . ALA A 1 163 ? 13.697  1.021   15.053 1.00 25.69 ? 163 ALA A O   1 
ATOM   1306 C CB  . ALA A 1 163 ? 14.022  2.515   17.651 1.00 23.41 ? 163 ALA A CB  1 
ATOM   1307 N N   . VAL A 1 164 ? 15.338  2.427   14.411 1.00 20.70 ? 164 VAL A N   1 
ATOM   1308 C CA  . VAL A 1 164 ? 15.764  1.584   13.308 1.00 21.98 ? 164 VAL A CA  1 
ATOM   1309 C C   . VAL A 1 164 ? 17.188  1.090   13.511 1.00 24.33 ? 164 VAL A C   1 
ATOM   1310 O O   . VAL A 1 164 ? 17.788  0.523   12.598 1.00 27.44 ? 164 VAL A O   1 
ATOM   1311 C CB  . VAL A 1 164 ? 15.601  2.296   11.946 1.00 27.49 ? 164 VAL A CB  1 
ATOM   1312 C CG1 . VAL A 1 164 ? 14.127  2.560   11.657 1.00 28.70 ? 164 VAL A CG1 1 
ATOM   1313 C CG2 . VAL A 1 164 ? 16.422  3.586   11.870 1.00 28.87 ? 164 VAL A CG2 1 
ATOM   1314 N N   . GLY A 1 165 ? 17.736  1.284   14.705 1.00 25.38 ? 165 GLY A N   1 
ATOM   1315 C CA  . GLY A 1 165 ? 19.087  0.848   14.961 1.00 24.85 ? 165 GLY A CA  1 
ATOM   1316 C C   . GLY A 1 165 ? 19.553  1.364   16.301 1.00 24.52 ? 165 GLY A C   1 
ATOM   1317 O O   . GLY A 1 165 ? 18.825  2.038   17.023 1.00 25.12 ? 165 GLY A O   1 
ATOM   1318 N N   . TYR A 1 166 ? 20.790  1.017   16.619 1.00 24.75 ? 166 TYR A N   1 
ATOM   1319 C CA  . TYR A 1 166 ? 21.413  1.463   17.854 1.00 22.71 ? 166 TYR A CA  1 
ATOM   1320 C C   . TYR A 1 166 ? 22.902  1.224   17.741 1.00 25.70 ? 166 TYR A C   1 
ATOM   1321 O O   . TYR A 1 166 ? 23.380  0.499   16.858 1.00 28.63 ? 166 TYR A O   1 
ATOM   1322 C CB  . TYR A 1 166 ? 20.859  0.743   19.092 1.00 23.13 ? 166 TYR A CB  1 
ATOM   1323 C CG  . TYR A 1 166 ? 21.124  -0.749  19.101 1.00 28.41 ? 166 TYR A CG  1 
ATOM   1324 C CD1 . TYR A 1 166 ? 22.368  -1.248  19.471 1.00 26.62 ? 166 TYR A CD1 1 
ATOM   1325 C CD2 . TYR A 1 166 ? 20.121  -1.660  18.778 1.00 28.64 ? 166 TYR A CD2 1 
ATOM   1326 C CE1 . TYR A 1 166 ? 22.622  -2.596  19.487 1.00 29.02 ? 166 TYR A CE1 1 
ATOM   1327 C CE2 . TYR A 1 166 ? 20.372  -3.034  18.794 1.00 26.03 ? 166 TYR A CE2 1 
ATOM   1328 C CZ  . TYR A 1 166 ? 21.634  -3.486  19.156 1.00 30.33 ? 166 TYR A CZ  1 
ATOM   1329 O OH  . TYR A 1 166 ? 21.942  -4.833  19.183 1.00 26.82 ? 166 TYR A OH  1 
ATOM   1330 N N   . GLY A 1 167 ? 23.619  1.818   18.672 1.00 24.54 ? 167 GLY A N   1 
ATOM   1331 C CA  . GLY A 1 167 ? 25.036  1.619   18.799 1.00 24.77 ? 167 GLY A CA  1 
ATOM   1332 C C   . GLY A 1 167 ? 25.356  1.559   20.266 1.00 24.86 ? 167 GLY A C   1 
ATOM   1333 O O   . GLY A 1 167 ? 24.462  1.565   21.125 1.00 26.04 ? 167 GLY A O   1 
ATOM   1334 N N   . PRO A 1 168 ? 26.645  1.521   20.589 1.00 26.06 ? 168 PRO A N   1 
ATOM   1335 C CA  . PRO A 1 168 ? 27.037  1.448   22.005 1.00 28.91 ? 168 PRO A CA  1 
ATOM   1336 C C   . PRO A 1 168 ? 26.474  2.563   22.847 1.00 31.10 ? 168 PRO A C   1 
ATOM   1337 O O   . PRO A 1 168 ? 26.213  2.359   24.037 1.00 31.56 ? 168 PRO A O   1 
ATOM   1338 C CB  . PRO A 1 168 ? 28.569  1.522   21.939 1.00 31.55 ? 168 PRO A CB  1 
ATOM   1339 C CG  . PRO A 1 168 ? 28.909  0.880   20.623 1.00 32.63 ? 168 PRO A CG  1 
ATOM   1340 C CD  . PRO A 1 168 ? 27.752  1.190   19.680 1.00 28.46 ? 168 PRO A CD  1 
ATOM   1341 N N   A ASN A 1 169 ? 26.252  3.739   22.249 0.54 28.81 ? 169 ASN A N   1 
ATOM   1342 N N   B ASN A 1 169 ? 26.269  3.757   22.289 0.46 28.79 ? 169 ASN A N   1 
ATOM   1343 C CA  A ASN A 1 169 ? 25.922  4.936   23.008 0.54 30.05 ? 169 ASN A CA  1 
ATOM   1344 C CA  B ASN A 1 169 ? 25.845  4.876   23.121 0.46 29.96 ? 169 ASN A CA  1 
ATOM   1345 C C   A ASN A 1 169 ? 24.710  5.668   22.442 0.54 26.76 ? 169 ASN A C   1 
ATOM   1346 C C   B ASN A 1 169 ? 24.592  5.571   22.607 0.46 26.86 ? 169 ASN A C   1 
ATOM   1347 O O   A ASN A 1 169 ? 24.490  6.837   22.773 0.54 28.37 ? 169 ASN A O   1 
ATOM   1348 O O   B ASN A 1 169 ? 24.230  6.626   23.137 0.46 27.66 ? 169 ASN A O   1 
ATOM   1349 C CB  A ASN A 1 169 ? 27.150  5.856   23.074 0.54 32.52 ? 169 ASN A CB  1 
ATOM   1350 C CB  B ASN A 1 169 ? 26.989  5.892   23.268 0.46 32.40 ? 169 ASN A CB  1 
ATOM   1351 C CG  A ASN A 1 169 ? 27.797  6.095   21.705 0.54 33.05 ? 169 ASN A CG  1 
ATOM   1352 C CG  B ASN A 1 169 ? 28.165  5.329   24.046 0.46 32.05 ? 169 ASN A CG  1 
ATOM   1353 O OD1 A ASN A 1 169 ? 27.703  5.269   20.782 0.54 31.52 ? 169 ASN A OD1 1 
ATOM   1354 O OD1 B ASN A 1 169 ? 28.042  5.009   25.226 0.46 38.25 ? 169 ASN A OD1 1 
ATOM   1355 N ND2 A ASN A 1 169 ? 28.539  7.189   21.605 0.54 36.76 ? 169 ASN A ND2 1 
ATOM   1356 N ND2 B ASN A 1 169 ? 29.302  5.173   23.375 0.46 33.95 ? 169 ASN A ND2 1 
ATOM   1357 N N   . TYR A 1 170 ? 23.904  5.005   21.618 1.00 26.89 ? 170 TYR A N   1 
ATOM   1358 C CA  . TYR A 1 170 ? 22.746  5.684   21.065 1.00 25.57 ? 170 TYR A CA  1 
ATOM   1359 C C   . TYR A 1 170 ? 21.742  4.678   20.542 1.00 27.55 ? 170 TYR A C   1 
ATOM   1360 O O   . TYR A 1 170 ? 22.053  3.512   20.270 1.00 25.94 ? 170 TYR A O   1 
ATOM   1361 C CB  . TYR A 1 170 ? 23.103  6.631   19.914 1.00 23.99 ? 170 TYR A CB  1 
ATOM   1362 C CG  . TYR A 1 170 ? 23.726  5.913   18.741 1.00 27.55 ? 170 TYR A CG  1 
ATOM   1363 C CD1 . TYR A 1 170 ? 25.084  5.658   18.701 1.00 30.78 ? 170 TYR A CD1 1 
ATOM   1364 C CD2 . TYR A 1 170 ? 22.937  5.452   17.682 1.00 23.99 ? 170 TYR A CD2 1 
ATOM   1365 C CE1 . TYR A 1 170 ? 25.652  4.993   17.633 1.00 31.17 ? 170 TYR A CE1 1 
ATOM   1366 C CE2 . TYR A 1 170 ? 23.501  4.763   16.603 1.00 25.96 ? 170 TYR A CE2 1 
ATOM   1367 C CZ  . TYR A 1 170 ? 24.861  4.536   16.596 1.00 31.78 ? 170 TYR A CZ  1 
ATOM   1368 O OH  . TYR A 1 170 ? 25.433  3.856   15.541 1.00 32.60 ? 170 TYR A OH  1 
ATOM   1369 N N   . ILE A 1 171 ? 20.521  5.162   20.401 1.00 22.09 ? 171 ILE A N   1 
ATOM   1370 C CA  . ILE A 1 171 ? 19.488  4.494   19.629 1.00 19.61 ? 171 ILE A CA  1 
ATOM   1371 C C   . ILE A 1 171 ? 19.243  5.353   18.400 1.00 23.97 ? 171 ILE A C   1 
ATOM   1372 O O   . ILE A 1 171 ? 19.183  6.581   18.503 1.00 27.07 ? 171 ILE A O   1 
ATOM   1373 C CB  . ILE A 1 171 ? 18.219  4.283   20.466 1.00 24.21 ? 171 ILE A CB  1 
ATOM   1374 C CG1 . ILE A 1 171 ? 18.514  3.239   21.556 1.00 29.10 ? 171 ILE A CG1 1 
ATOM   1375 C CG2 . ILE A 1 171 ? 17.063  3.819   19.572 1.00 26.59 ? 171 ILE A CG2 1 
ATOM   1376 C CD1 . ILE A 1 171 ? 17.552  3.286   22.715 1.00 29.86 ? 171 ILE A CD1 1 
ATOM   1377 N N   . LEU A 1 172 ? 19.177  4.715   17.234 1.00 22.71 ? 172 LEU A N   1 
ATOM   1378 C CA  . LEU A 1 172 ? 19.025  5.420   15.972 1.00 22.84 ? 172 LEU A CA  1 
ATOM   1379 C C   . LEU A 1 172 ? 17.545  5.524   15.629 1.00 23.06 ? 172 LEU A C   1 
ATOM   1380 O O   . LEU A 1 172 ? 16.840  4.514   15.579 1.00 23.12 ? 172 LEU A O   1 
ATOM   1381 C CB  . LEU A 1 172 ? 19.782  4.701   14.862 1.00 25.56 ? 172 LEU A CB  1 
ATOM   1382 C CG  . LEU A 1 172 ? 19.560  5.237   13.456 1.00 25.95 ? 172 LEU A CG  1 
ATOM   1383 C CD1 . LEU A 1 172 ? 20.180  6.601   13.307 1.00 24.20 ? 172 LEU A CD1 1 
ATOM   1384 C CD2 . LEU A 1 172 ? 20.174  4.248   12.485 1.00 29.69 ? 172 LEU A CD2 1 
ATOM   1385 N N   . ILE A 1 173 ? 17.082  6.743   15.392 1.00 22.95 ? 173 ILE A N   1 
ATOM   1386 C CA  . ILE A 1 173 ? 15.661  7.024   15.277 1.00 22.33 ? 173 ILE A CA  1 
ATOM   1387 C C   . ILE A 1 173 ? 15.385  7.645   13.919 1.00 23.91 ? 173 ILE A C   1 
ATOM   1388 O O   . ILE A 1 173 ? 16.081  8.574   13.498 1.00 25.51 ? 173 ILE A O   1 
ATOM   1389 C CB  . ILE A 1 173 ? 15.183  7.951   16.404 1.00 22.97 ? 173 ILE A CB  1 
ATOM   1390 C CG1 . ILE A 1 173 ? 15.329  7.265   17.774 1.00 28.86 ? 173 ILE A CG1 1 
ATOM   1391 C CG2 . ILE A 1 173 ? 13.789  8.472   16.102 1.00 24.84 ? 173 ILE A CG2 1 
ATOM   1392 C CD1 . ILE A 1 173 ? 14.375  6.122   17.979 1.00 31.26 ? 173 ILE A CD1 1 
ATOM   1393 N N   . LYS A 1 174 ? 14.398  7.103   13.226 1.00 19.30 ? 174 LYS A N   1 
ATOM   1394 C CA  . LYS A 1 174 ? 13.881  7.692   11.996 1.00 20.04 ? 174 LYS A CA  1 
ATOM   1395 C C   . LYS A 1 174 ? 12.764  8.633   12.396 1.00 24.22 ? 174 LYS A C   1 
ATOM   1396 O O   . LYS A 1 174 ? 11.745  8.201   12.947 1.00 23.93 ? 174 LYS A O   1 
ATOM   1397 C CB  . LYS A 1 174 ? 13.340  6.626   11.048 1.00 23.06 ? 174 LYS A CB  1 
ATOM   1398 C CG  . LYS A 1 174 ? 12.869  7.191   9.702  1.00 20.89 ? 174 LYS A CG  1 
ATOM   1399 C CD  . LYS A 1 174 ? 12.328  6.087   8.814  1.00 19.67 ? 174 LYS A CD  1 
ATOM   1400 C CE  . LYS A 1 174 ? 12.016  6.587   7.406  1.00 25.07 ? 174 LYS A CE  1 
ATOM   1401 N NZ  . LYS A 1 174 ? 11.404  5.495   6.556  1.00 24.79 ? 174 LYS A NZ  1 
ATOM   1402 N N   . ASN A 1 175 ? 12.961  9.914   12.150 1.00 22.05 ? 175 ASN A N   1 
ATOM   1403 C CA  . ASN A 1 175 ? 11.903  10.868  12.403 1.00 23.03 ? 175 ASN A CA  1 
ATOM   1404 C C   . ASN A 1 175 ? 11.112  11.088  11.112 1.00 23.71 ? 175 ASN A C   1 
ATOM   1405 O O   . ASN A 1 175 ? 11.479  10.605  10.037 1.00 21.73 ? 175 ASN A O   1 
ATOM   1406 C CB  . ASN A 1 175 ? 12.508  12.163  12.932 1.00 22.80 ? 175 ASN A CB  1 
ATOM   1407 C CG  . ASN A 1 175 ? 11.508  13.006  13.698 1.00 22.42 ? 175 ASN A CG  1 
ATOM   1408 O OD1 . ASN A 1 175 ? 10.344  12.618  13.893 1.00 22.13 ? 175 ASN A OD1 1 
ATOM   1409 N ND2 . ASN A 1 175 ? 11.959  14.165  14.148 1.00 26.18 ? 175 ASN A ND2 1 
ATOM   1410 N N   . SER A 1 176 ? 10.010  11.813  11.228 1.00 22.05 ? 176 SER A N   1 
ATOM   1411 C CA  . SER A 1 176 ? 9.116   12.074  10.106 1.00 21.62 ? 176 SER A CA  1 
ATOM   1412 C C   . SER A 1 176 ? 9.010   13.563  9.863  1.00 23.08 ? 176 SER A C   1 
ATOM   1413 O O   . SER A 1 176 ? 7.940   14.098  9.553  1.00 23.87 ? 176 SER A O   1 
ATOM   1414 C CB  . SER A 1 176 ? 7.735   11.484  10.366 1.00 24.00 ? 176 SER A CB  1 
ATOM   1415 O OG  . SER A 1 176 ? 7.319   11.893  11.654 1.00 22.67 ? 176 SER A OG  1 
ATOM   1416 N N   . TRP A 1 177 ? 10.129  14.258  10.023 1.00 20.66 ? 177 TRP A N   1 
ATOM   1417 C CA  . TRP A 1 177 ? 10.171  15.691  9.830  1.00 24.12 ? 177 TRP A CA  1 
ATOM   1418 C C   . TRP A 1 177 ? 10.965  16.072  8.596  1.00 25.79 ? 177 TRP A C   1 
ATOM   1419 O O   . TRP A 1 177 ? 11.450  17.200  8.512  1.00 23.88 ? 177 TRP A O   1 
ATOM   1420 C CB  . TRP A 1 177 ? 10.772  16.344  11.068 1.00 21.05 ? 177 TRP A CB  1 
ATOM   1421 C CG  . TRP A 1 177 ? 9.847   16.349  12.232 1.00 26.36 ? 177 TRP A CG  1 
ATOM   1422 C CD1 . TRP A 1 177 ? 8.553   15.902  12.279 1.00 26.99 ? 177 TRP A CD1 1 
ATOM   1423 C CD2 . TRP A 1 177 ? 10.175  16.783  13.540 1.00 25.89 ? 177 TRP A CD2 1 
ATOM   1424 N NE1 . TRP A 1 177 ? 8.039   16.074  13.561 1.00 26.83 ? 177 TRP A NE1 1 
ATOM   1425 C CE2 . TRP A 1 177 ? 9.027   16.604  14.351 1.00 25.61 ? 177 TRP A CE2 1 
ATOM   1426 C CE3 . TRP A 1 177 ? 11.332  17.318  14.115 1.00 25.71 ? 177 TRP A CE3 1 
ATOM   1427 C CZ2 . TRP A 1 177 ? 9.010   16.950  15.698 1.00 27.73 ? 177 TRP A CZ2 1 
ATOM   1428 C CZ3 . TRP A 1 177 ? 11.305  17.660  15.457 1.00 27.37 ? 177 TRP A CZ3 1 
ATOM   1429 C CH2 . TRP A 1 177 ? 10.153  17.479  16.228 1.00 30.73 ? 177 TRP A CH2 1 
ATOM   1430 N N   . GLY A 1 178 ? 11.134  15.142  7.653  1.00 23.68 ? 178 GLY A N   1 
ATOM   1431 C CA  . GLY A 1 178 ? 11.799  15.422  6.401  1.00 21.69 ? 178 GLY A CA  1 
ATOM   1432 C C   . GLY A 1 178 ? 13.298  15.245  6.503  1.00 23.66 ? 178 GLY A C   1 
ATOM   1433 O O   . GLY A 1 178 ? 13.871  15.090  7.581  1.00 24.38 ? 178 GLY A O   1 
ATOM   1434 N N   . THR A 1 179 ? 13.951  15.290  5.345  1.00 22.72 ? 179 THR A N   1 
ATOM   1435 C CA  . THR A 1 179 ? 15.376  14.988  5.322  1.00 24.64 ? 179 THR A CA  1 
ATOM   1436 C C   . THR A 1 179 ? 16.224  16.156  5.790  1.00 27.32 ? 179 THR A C   1 
ATOM   1437 O O   . THR A 1 179 ? 17.423  15.973  6.013  1.00 27.72 ? 179 THR A O   1 
ATOM   1438 C CB  . THR A 1 179 ? 15.816  14.585  3.910  1.00 27.78 ? 179 THR A CB  1 
ATOM   1439 O OG1 . THR A 1 179 ? 15.463  15.631  2.996  1.00 24.80 ? 179 THR A OG1 1 
ATOM   1440 C CG2 . THR A 1 179 ? 15.080  13.312  3.480  1.00 26.68 ? 179 THR A CG2 1 
ATOM   1441 N N   . GLY A 1 180 ? 15.640  17.349  5.930  1.00 27.67 ? 180 GLY A N   1 
ATOM   1442 C CA  . GLY A 1 180 ? 16.393  18.496  6.395  1.00 28.18 ? 180 GLY A CA  1 
ATOM   1443 C C   . GLY A 1 180 ? 16.604  18.546  7.884  1.00 30.75 ? 180 GLY A C   1 
ATOM   1444 O O   . GLY A 1 180 ? 17.450  19.299  8.366  1.00 35.08 ? 180 GLY A O   1 
ATOM   1445 N N   . TRP A 1 181 ? 15.873  17.749  8.630  1.00 27.21 ? 181 TRP A N   1 
ATOM   1446 C CA  . TRP A 1 181 ? 15.999  17.752  10.075 1.00 26.26 ? 181 TRP A CA  1 
ATOM   1447 C C   . TRP A 1 181 ? 17.013  16.714  10.538 1.00 24.87 ? 181 TRP A C   1 
ATOM   1448 O O   . TRP A 1 181 ? 17.095  15.612  9.992  1.00 25.17 ? 181 TRP A O   1 
ATOM   1449 C CB  . TRP A 1 181 ? 14.638  17.482  10.721 1.00 24.44 ? 181 TRP A CB  1 
ATOM   1450 C CG  . TRP A 1 181 ? 14.708  17.463  12.215 1.00 21.03 ? 181 TRP A CG  1 
ATOM   1451 C CD1 . TRP A 1 181 ? 14.559  18.537  13.052 1.00 25.85 ? 181 TRP A CD1 1 
ATOM   1452 C CD2 . TRP A 1 181 ? 14.911  16.322  13.056 1.00 25.22 ? 181 TRP A CD2 1 
ATOM   1453 N NE1 . TRP A 1 181 ? 14.687  18.141  14.360 1.00 23.94 ? 181 TRP A NE1 1 
ATOM   1454 C CE2 . TRP A 1 181 ? 14.890  16.784  14.394 1.00 24.70 ? 181 TRP A CE2 1 
ATOM   1455 C CE3 . TRP A 1 181 ? 15.133  14.958  12.810 1.00 22.39 ? 181 TRP A CE3 1 
ATOM   1456 C CZ2 . TRP A 1 181 ? 15.051  15.933  15.476 1.00 26.25 ? 181 TRP A CZ2 1 
ATOM   1457 C CZ3 . TRP A 1 181 ? 15.299  14.113  13.886 1.00 25.04 ? 181 TRP A CZ3 1 
ATOM   1458 C CH2 . TRP A 1 181 ? 15.257  14.606  15.211 1.00 23.75 ? 181 TRP A CH2 1 
ATOM   1459 N N   . GLY A 1 182 ? 17.771  17.067  11.572 1.00 25.61 ? 182 GLY A N   1 
ATOM   1460 C CA  . GLY A 1 182 ? 18.667  16.099  12.175 1.00 22.51 ? 182 GLY A CA  1 
ATOM   1461 C C   . GLY A 1 182 ? 19.704  15.587  11.197 1.00 28.63 ? 182 GLY A C   1 
ATOM   1462 O O   . GLY A 1 182 ? 20.221  16.318  10.348 1.00 28.33 ? 182 GLY A O   1 
ATOM   1463 N N   . GLU A 1 183 ? 20.009  14.301  11.309 1.00 27.37 ? 183 GLU A N   1 
ATOM   1464 C CA  . GLU A 1 183 ? 21.012  13.669  10.447 1.00 24.50 ? 183 GLU A CA  1 
ATOM   1465 C C   . GLU A 1 183 ? 20.295  13.055  9.251  1.00 26.28 ? 183 GLU A C   1 
ATOM   1466 O O   . GLU A 1 183 ? 19.988  11.859  9.203  1.00 25.37 ? 183 GLU A O   1 
ATOM   1467 C CB  . GLU A 1 183 ? 21.814  12.642  11.237 1.00 28.53 ? 183 GLU A CB  1 
ATOM   1468 C CG  . GLU A 1 183 ? 22.430  13.240  12.478 1.00 28.94 ? 183 GLU A CG  1 
ATOM   1469 C CD  . GLU A 1 183 ? 23.364  12.295  13.202 1.00 32.95 ? 183 GLU A CD  1 
ATOM   1470 O OE1 . GLU A 1 183 ? 23.078  11.084  13.245 1.00 30.64 ? 183 GLU A OE1 1 
ATOM   1471 O OE2 . GLU A 1 183 ? 24.371  12.768  13.756 1.00 31.68 ? 183 GLU A OE2 1 
ATOM   1472 N N   . ASN A 1 184 ? 20.033  13.903  8.258  1.00 26.98 ? 184 ASN A N   1 
ATOM   1473 C CA  . ASN A 1 184 ? 19.288  13.498  7.066  1.00 26.38 ? 184 ASN A CA  1 
ATOM   1474 C C   . ASN A 1 184 ? 17.933  12.898  7.437  1.00 24.09 ? 184 ASN A C   1 
ATOM   1475 O O   . ASN A 1 184 ? 17.441  11.976  6.772  1.00 24.48 ? 184 ASN A O   1 
ATOM   1476 C CB  . ASN A 1 184 ? 20.093  12.511  6.219  1.00 23.30 ? 184 ASN A CB  1 
ATOM   1477 C CG  . ASN A 1 184 ? 21.376  13.118  5.702  1.00 36.75 ? 184 ASN A CG  1 
ATOM   1478 O OD1 . ASN A 1 184 ? 21.494  14.339  5.596  1.00 35.22 ? 184 ASN A OD1 1 
ATOM   1479 N ND2 . ASN A 1 184 ? 22.336  12.275  5.358  1.00 37.32 ? 184 ASN A ND2 1 
ATOM   1480 N N   . GLY A 1 185 ? 17.342  13.386  8.533  1.00 22.11 ? 185 GLY A N   1 
ATOM   1481 C CA  . GLY A 1 185 ? 16.040  12.926  8.961  1.00 24.64 ? 185 GLY A CA  1 
ATOM   1482 C C   . GLY A 1 185 ? 16.068  11.998  10.151 1.00 27.34 ? 185 GLY A C   1 
ATOM   1483 O O   . GLY A 1 185 ? 15.002  11.630  10.655 1.00 26.96 ? 185 GLY A O   1 
ATOM   1484 N N   . TYR A 1 186 ? 17.253  11.594  10.599 1.00 20.99 ? 186 TYR A N   1 
ATOM   1485 C CA  . TYR A 1 186 ? 17.432  10.662  11.697 1.00 21.30 ? 186 TYR A CA  1 
ATOM   1486 C C   . TYR A 1 186 ? 17.983  11.406  12.891 1.00 23.89 ? 186 TYR A C   1 
ATOM   1487 O O   . TYR A 1 186 ? 18.551  12.488  12.751 1.00 23.71 ? 186 TYR A O   1 
ATOM   1488 C CB  . TYR A 1 186 ? 18.403  9.551   11.295 1.00 22.10 ? 186 TYR A CB  1 
ATOM   1489 C CG  . TYR A 1 186 ? 17.800  8.652   10.264 1.00 23.18 ? 186 TYR A CG  1 
ATOM   1490 C CD1 . TYR A 1 186 ? 17.822  9.000   8.919  1.00 25.17 ? 186 TYR A CD1 1 
ATOM   1491 C CD2 . TYR A 1 186 ? 17.226  7.451   10.628 1.00 22.33 ? 186 TYR A CD2 1 
ATOM   1492 C CE1 . TYR A 1 186 ? 17.263  8.190   7.979  1.00 24.05 ? 186 TYR A CE1 1 
ATOM   1493 C CE2 . TYR A 1 186 ? 16.674  6.626   9.698  1.00 28.18 ? 186 TYR A CE2 1 
ATOM   1494 C CZ  . TYR A 1 186 ? 16.685  6.986   8.385  1.00 28.96 ? 186 TYR A CZ  1 
ATOM   1495 O OH  . TYR A 1 186 ? 16.125  6.129   7.477  1.00 31.90 ? 186 TYR A OH  1 
ATOM   1496 N N   . ILE A 1 187 ? 17.821  10.810  14.064 1.00 21.47 ? 187 ILE A N   1 
ATOM   1497 C CA  . ILE A 1 187 ? 18.465  11.301  15.270 1.00 20.97 ? 187 ILE A CA  1 
ATOM   1498 C C   . ILE A 1 187 ? 19.049  10.109  15.994 1.00 24.21 ? 187 ILE A C   1 
ATOM   1499 O O   . ILE A 1 187 ? 18.451  9.031   16.023 1.00 26.89 ? 187 ILE A O   1 
ATOM   1500 C CB  . ILE A 1 187 ? 17.485  12.083  16.168 1.00 24.26 ? 187 ILE A CB  1 
ATOM   1501 C CG1 . ILE A 1 187 ? 18.143  12.482  17.492 1.00 23.49 ? 187 ILE A CG1 1 
ATOM   1502 C CG2 . ILE A 1 187 ? 16.229  11.282  16.434 1.00 23.46 ? 187 ILE A CG2 1 
ATOM   1503 C CD1 . ILE A 1 187 ? 17.368  13.592  18.205 1.00 25.38 ? 187 ILE A CD1 1 
ATOM   1504 N N   . ARG A 1 188 ? 20.237  10.291  16.549 1.00 22.68 ? 188 ARG A N   1 
ATOM   1505 C CA  . ARG A 1 188 ? 20.819  9.324   17.452 1.00 23.92 ? 188 ARG A CA  1 
ATOM   1506 C C   . ARG A 1 188 ? 20.631  9.853   18.868 1.00 24.95 ? 188 ARG A C   1 
ATOM   1507 O O   . ARG A 1 188 ? 21.127  10.936  19.208 1.00 28.88 ? 188 ARG A O   1 
ATOM   1508 C CB  . ARG A 1 188 ? 22.288  9.087   17.112 1.00 26.30 ? 188 ARG A CB  1 
ATOM   1509 C CG  . ARG A 1 188 ? 22.453  8.455   15.738 1.00 30.18 ? 188 ARG A CG  1 
ATOM   1510 C CD  . ARG A 1 188 ? 23.914  8.305   15.416 1.00 31.00 ? 188 ARG A CD  1 
ATOM   1511 N NE  . ARG A 1 188 ? 24.471  9.619   15.146 1.00 31.20 ? 188 ARG A NE  1 
ATOM   1512 C CZ  . ARG A 1 188 ? 25.722  9.969   15.398 1.00 36.79 ? 188 ARG A CZ  1 
ATOM   1513 N NH1 . ARG A 1 188 ? 26.557  9.144   16.007 1.00 33.04 ? 188 ARG A NH1 1 
ATOM   1514 N NH2 . ARG A 1 188 ? 26.139  11.183  15.042 1.00 32.44 ? 188 ARG A NH2 1 
ATOM   1515 N N   . ILE A 1 189 ? 19.868  9.126   19.664 1.00 25.55 ? 189 ILE A N   1 
ATOM   1516 C CA  . ILE A 1 189 ? 19.569  9.531   21.031 1.00 28.80 ? 189 ILE A CA  1 
ATOM   1517 C C   . ILE A 1 189 ? 20.398  8.691   21.982 1.00 26.52 ? 189 ILE A C   1 
ATOM   1518 O O   . ILE A 1 189 ? 20.476  7.460   21.843 1.00 25.25 ? 189 ILE A O   1 
ATOM   1519 C CB  . ILE A 1 189 ? 18.075  9.409   21.340 1.00 28.30 ? 189 ILE A CB  1 
ATOM   1520 C CG1 . ILE A 1 189 ? 17.301  10.395  20.476 1.00 30.01 ? 189 ILE A CG1 1 
ATOM   1521 C CG2 . ILE A 1 189 ? 17.800  9.741   22.804 1.00 28.13 ? 189 ILE A CG2 1 
ATOM   1522 C CD1 . ILE A 1 189 ? 15.874  10.032  20.342 1.00 38.14 ? 189 ILE A CD1 1 
ATOM   1523 N N   . LYS A 1 190 ? 21.012  9.359   22.953 1.00 22.25 ? 190 LYS A N   1 
ATOM   1524 C CA  . LYS A 1 190 ? 21.926  8.672   23.850 1.00 24.66 ? 190 LYS A CA  1 
ATOM   1525 C C   . LYS A 1 190 ? 21.190  7.576   24.612 1.00 23.93 ? 190 LYS A C   1 
ATOM   1526 O O   . LYS A 1 190 ? 20.035  7.742   25.012 1.00 25.28 ? 190 LYS A O   1 
ATOM   1527 C CB  . LYS A 1 190 ? 22.536  9.676   24.819 1.00 28.76 ? 190 LYS A CB  1 
ATOM   1528 C CG  . LYS A 1 190 ? 23.205  9.035   26.003 1.00 32.70 ? 190 LYS A CG  1 
ATOM   1529 C CD  . LYS A 1 190 ? 24.660  8.864   25.691 1.00 35.32 ? 190 LYS A CD  1 
ATOM   1530 C CE  . LYS A 1 190 ? 25.477  8.612   26.959 1.00 40.55 ? 190 LYS A CE  1 
ATOM   1531 N NZ  . LYS A 1 190 ? 26.895  8.985   26.756 1.00 48.46 ? 190 LYS A NZ  1 
ATOM   1532 N N   . ARG A 1 191 ? 21.854  6.442   24.793 1.00 28.64 ? 191 ARG A N   1 
ATOM   1533 C CA  . ARG A 1 191 ? 21.320  5.378   25.631 1.00 26.87 ? 191 ARG A CA  1 
ATOM   1534 C C   . ARG A 1 191 ? 22.313  5.093   26.743 1.00 24.72 ? 191 ARG A C   1 
ATOM   1535 O O   . ARG A 1 191 ? 23.414  5.642   26.767 1.00 29.30 ? 191 ARG A O   1 
ATOM   1536 C CB  . ARG A 1 191 ? 21.052  4.101   24.834 1.00 28.42 ? 191 ARG A CB  1 
ATOM   1537 C CG  . ARG A 1 191 ? 22.302  3.394   24.318 1.00 28.27 ? 191 ARG A CG  1 
ATOM   1538 C CD  . ARG A 1 191 ? 21.933  2.037   23.704 1.00 28.23 ? 191 ARG A CD  1 
ATOM   1539 N NE  . ARG A 1 191 ? 23.076  1.163   23.455 1.00 29.74 ? 191 ARG A NE  1 
ATOM   1540 C CZ  . ARG A 1 191 ? 23.553  0.284   24.325 1.00 30.98 ? 191 ARG A CZ  1 
ATOM   1541 N NH1 . ARG A 1 191 ? 23.102  0.225   25.566 1.00 25.07 ? 191 ARG A NH1 1 
ATOM   1542 N NH2 . ARG A 1 191 ? 24.490  -0.572  23.932 1.00 28.99 ? 191 ARG A NH2 1 
ATOM   1543 N N   . GLY A 1 192 ? 21.914  4.221   27.662 1.00 28.85 ? 192 GLY A N   1 
ATOM   1544 C CA  . GLY A 1 192 ? 22.845  3.753   28.670 1.00 34.04 ? 192 GLY A CA  1 
ATOM   1545 C C   . GLY A 1 192 ? 23.132  4.757   29.760 1.00 35.03 ? 192 GLY A C   1 
ATOM   1546 O O   . GLY A 1 192 ? 24.216  4.731   30.344 1.00 41.89 ? 192 GLY A O   1 
ATOM   1547 N N   . THR A 1 193 ? 22.197  5.657   30.039 1.00 34.99 ? 193 THR A N   1 
ATOM   1548 C CA  . THR A 1 193 ? 22.372  6.643   31.094 1.00 38.75 ? 193 THR A CA  1 
ATOM   1549 C C   . THR A 1 193 ? 21.812  6.188   32.432 1.00 41.08 ? 193 THR A C   1 
ATOM   1550 O O   . THR A 1 193 ? 21.938  6.918   33.421 1.00 44.71 ? 193 THR A O   1 
ATOM   1551 C CB  . THR A 1 193 ? 21.703  7.955   30.692 1.00 37.73 ? 193 THR A CB  1 
ATOM   1552 O OG1 . THR A 1 193 ? 20.278  7.787   30.742 1.00 39.29 ? 193 THR A OG1 1 
ATOM   1553 C CG2 . THR A 1 193 ? 22.132  8.373   29.302 1.00 38.00 ? 193 THR A CG2 1 
ATOM   1554 N N   . GLY A 1 194 ? 21.191  5.012   32.491 1.00 41.92 ? 194 GLY A N   1 
ATOM   1555 C CA  . GLY A 1 194 ? 20.570  4.545   33.710 1.00 42.86 ? 194 GLY A CA  1 
ATOM   1556 C C   . GLY A 1 194 ? 19.230  5.172   34.006 1.00 53.64 ? 194 GLY A C   1 
ATOM   1557 O O   . GLY A 1 194 ? 18.575  4.764   34.977 1.00 55.00 ? 194 GLY A O   1 
ATOM   1558 N N   . ASN A 1 195 ? 18.811  6.158   33.212 1.00 45.25 ? 195 ASN A N   1 
ATOM   1559 C CA  . ASN A 1 195 ? 17.480  6.746   33.311 1.00 40.78 ? 195 ASN A CA  1 
ATOM   1560 C C   . ASN A 1 195 ? 16.471  5.736   32.793 1.00 44.90 ? 195 ASN A C   1 
ATOM   1561 O O   . ASN A 1 195 ? 16.450  5.429   31.595 1.00 35.47 ? 195 ASN A O   1 
ATOM   1562 C CB  . ASN A 1 195 ? 17.426  8.052   32.517 1.00 45.03 ? 195 ASN A CB  1 
ATOM   1563 C CG  . ASN A 1 195 ? 16.101  8.799   32.668 1.00 47.79 ? 195 ASN A CG  1 
ATOM   1564 O OD1 . ASN A 1 195 ? 15.160  8.327   33.314 1.00 47.70 ? 195 ASN A OD1 1 
ATOM   1565 N ND2 . ASN A 1 195 ? 16.023  9.975   32.048 1.00 51.00 ? 195 ASN A ND2 1 
ATOM   1566 N N   . SER A 1 196 ? 15.644  5.220   33.707 1.00 41.05 ? 196 SER A N   1 
ATOM   1567 C CA  . SER A 1 196 ? 14.669  4.192   33.367 1.00 41.17 ? 196 SER A CA  1 
ATOM   1568 C C   . SER A 1 196 ? 13.684  4.667   32.310 1.00 36.44 ? 196 SER A C   1 
ATOM   1569 O O   . SER A 1 196 ? 13.161  3.852   31.541 1.00 37.20 ? 196 SER A O   1 
ATOM   1570 C CB  . SER A 1 196 ? 13.913  3.765   34.629 1.00 47.35 ? 196 SER A CB  1 
ATOM   1571 O OG  . SER A 1 196 ? 13.266  2.518   34.440 1.00 54.14 ? 196 SER A OG  1 
ATOM   1572 N N   . TYR A 1 197 ? 13.386  5.963   32.279 1.00 32.34 ? 197 TYR A N   1 
ATOM   1573 C CA  . TYR A 1 197 ? 12.471  6.474   31.266 1.00 37.73 ? 197 TYR A CA  1 
ATOM   1574 C C   . TYR A 1 197 ? 13.111  6.553   29.896 1.00 35.29 ? 197 TYR A C   1 
ATOM   1575 O O   . TYR A 1 197 ? 12.393  6.728   28.901 1.00 33.29 ? 197 TYR A O   1 
ATOM   1576 C CB  . TYR A 1 197 ? 11.969  7.868   31.641 1.00 34.46 ? 197 TYR A CB  1 
ATOM   1577 C CG  . TYR A 1 197 ? 11.178  7.903   32.920 1.00 45.88 ? 197 TYR A CG  1 
ATOM   1578 C CD1 . TYR A 1 197 ? 9.799   7.717   32.912 1.00 45.45 ? 197 TYR A CD1 1 
ATOM   1579 C CD2 . TYR A 1 197 ? 11.807  8.130   34.141 1.00 51.21 ? 197 TYR A CD2 1 
ATOM   1580 C CE1 . TYR A 1 197 ? 9.068   7.749   34.089 1.00 50.12 ? 197 TYR A CE1 1 
ATOM   1581 C CE2 . TYR A 1 197 ? 11.085  8.163   35.321 1.00 52.71 ? 197 TYR A CE2 1 
ATOM   1582 C CZ  . TYR A 1 197 ? 9.717   7.973   35.289 1.00 60.15 ? 197 TYR A CZ  1 
ATOM   1583 O OH  . TYR A 1 197 ? 8.999   8.004   36.466 1.00 68.40 ? 197 TYR A OH  1 
ATOM   1584 N N   . GLY A 1 198 ? 14.429  6.459   29.829 1.00 33.25 ? 198 GLY A N   1 
ATOM   1585 C CA  . GLY A 1 198 ? 15.151  6.766   28.619 1.00 32.16 ? 198 GLY A CA  1 
ATOM   1586 C C   . GLY A 1 198 ? 15.258  8.262   28.415 1.00 30.64 ? 198 GLY A C   1 
ATOM   1587 O O   . GLY A 1 198 ? 14.500  9.058   28.969 1.00 33.73 ? 198 GLY A O   1 
ATOM   1588 N N   . VAL A 1 199 ? 16.250  8.650   27.623 1.00 26.90 ? 199 VAL A N   1 
ATOM   1589 C CA  . VAL A 1 199 ? 16.388  10.049  27.275 1.00 28.01 ? 199 VAL A CA  1 
ATOM   1590 C C   . VAL A 1 199 ? 15.142  10.495  26.526 1.00 27.17 ? 199 VAL A C   1 
ATOM   1591 O O   . VAL A 1 199 ? 14.675  9.810   25.607 1.00 31.22 ? 199 VAL A O   1 
ATOM   1592 C CB  . VAL A 1 199 ? 17.670  10.260  26.466 1.00 29.37 ? 199 VAL A CB  1 
ATOM   1593 C CG1 . VAL A 1 199 ? 17.749  11.684  25.982 1.00 28.98 ? 199 VAL A CG1 1 
ATOM   1594 C CG2 . VAL A 1 199 ? 18.868  9.917   27.337 1.00 31.22 ? 199 VAL A CG2 1 
ATOM   1595 N N   . CYS A 1 200 ? 14.570  11.624  26.959 1.00 27.66 ? 200 CYS A N   1 
ATOM   1596 C CA  . CYS A 1 200 ? 13.327  12.167  26.398 1.00 31.12 ? 200 CYS A CA  1 
ATOM   1597 C C   . CYS A 1 200 ? 12.175  11.174  26.488 1.00 28.87 ? 200 CYS A C   1 
ATOM   1598 O O   . CYS A 1 200 ? 11.243  11.210  25.677 1.00 30.29 ? 200 CYS A O   1 
ATOM   1599 C CB  . CYS A 1 200 ? 13.506  12.621  24.948 1.00 31.88 ? 200 CYS A CB  1 
ATOM   1600 S SG  . CYS A 1 200 ? 14.978  13.595  24.672 1.00 29.21 ? 200 CYS A SG  1 
ATOM   1601 N N   . GLY A 1 201 ? 12.224  10.282  27.470 1.00 28.86 ? 201 GLY A N   1 
ATOM   1602 C CA  . GLY A 1 201 ? 11.124  9.361   27.676 1.00 27.59 ? 201 GLY A CA  1 
ATOM   1603 C C   . GLY A 1 201 ? 11.085  8.227   26.685 1.00 29.17 ? 201 GLY A C   1 
ATOM   1604 O O   . GLY A 1 201 ? 10.049  7.575   26.547 1.00 27.81 ? 201 GLY A O   1 
ATOM   1605 N N   . LEU A 1 202 ? 12.212  7.949   26.022 1.00 27.04 ? 202 LEU A N   1 
ATOM   1606 C CA  . LEU A 1 202 ? 12.257  7.029   24.895 1.00 26.63 ? 202 LEU A CA  1 
ATOM   1607 C C   . LEU A 1 202 ? 11.796  5.624   25.255 1.00 28.73 ? 202 LEU A C   1 
ATOM   1608 O O   . LEU A 1 202 ? 11.429  4.863   24.362 1.00 25.96 ? 202 LEU A O   1 
ATOM   1609 C CB  . LEU A 1 202 ? 13.692  6.981   24.332 1.00 27.62 ? 202 LEU A CB  1 
ATOM   1610 C CG  . LEU A 1 202 ? 13.969  6.243   23.019 1.00 29.44 ? 202 LEU A CG  1 
ATOM   1611 C CD1 . LEU A 1 202 ? 13.195  6.910   21.887 1.00 31.01 ? 202 LEU A CD1 1 
ATOM   1612 C CD2 . LEU A 1 202 ? 15.471  6.237   22.706 1.00 25.35 ? 202 LEU A CD2 1 
ATOM   1613 N N   . TYR A 1 203 ? 11.803  5.243   26.532 1.00 25.91 ? 203 TYR A N   1 
ATOM   1614 C CA  . TYR A 1 203 ? 11.400  3.886   26.874 1.00 30.19 ? 203 TYR A CA  1 
ATOM   1615 C C   . TYR A 1 203 ? 9.966   3.808   27.372 1.00 31.08 ? 203 TYR A C   1 
ATOM   1616 O O   . TYR A 1 203 ? 9.574   2.793   27.952 1.00 29.73 ? 203 TYR A O   1 
ATOM   1617 C CB  . TYR A 1 203 ? 12.361  3.286   27.898 1.00 29.39 ? 203 TYR A CB  1 
ATOM   1618 C CG  . TYR A 1 203 ? 13.812  3.439   27.503 1.00 28.11 ? 203 TYR A CG  1 
ATOM   1619 C CD1 . TYR A 1 203 ? 14.177  3.524   26.161 1.00 27.48 ? 203 TYR A CD1 1 
ATOM   1620 C CD2 . TYR A 1 203 ? 14.819  3.424   28.459 1.00 26.27 ? 203 TYR A CD2 1 
ATOM   1621 C CE1 . TYR A 1 203 ? 15.491  3.645   25.790 1.00 26.43 ? 203 TYR A CE1 1 
ATOM   1622 C CE2 . TYR A 1 203 ? 16.141  3.545   28.096 1.00 25.55 ? 203 TYR A CE2 1 
ATOM   1623 C CZ  . TYR A 1 203 ? 16.470  3.657   26.764 1.00 27.87 ? 203 TYR A CZ  1 
ATOM   1624 O OH  . TYR A 1 203 ? 17.786  3.767   26.396 1.00 27.36 ? 203 TYR A OH  1 
ATOM   1625 N N   . THR A 1 204 ? 9.165   4.845   27.133 1.00 30.91 ? 204 THR A N   1 
ATOM   1626 C CA  . THR A 1 204 ? 7.824   4.889   27.708 1.00 26.45 ? 204 THR A CA  1 
ATOM   1627 C C   . THR A 1 204 ? 6.905   3.852   27.070 1.00 33.14 ? 204 THR A C   1 
ATOM   1628 O O   . THR A 1 204 ? 6.198   3.119   27.769 1.00 28.19 ? 204 THR A O   1 
ATOM   1629 C CB  . THR A 1 204 ? 7.235   6.288   27.558 1.00 29.03 ? 204 THR A CB  1 
ATOM   1630 O OG1 . THR A 1 204 ? 8.036   7.220   28.293 1.00 30.38 ? 204 THR A OG1 1 
ATOM   1631 C CG2 . THR A 1 204 ? 5.789   6.331   28.096 1.00 29.49 ? 204 THR A CG2 1 
ATOM   1632 N N   . SER A 1 205 ? 6.900   3.755   25.742 1.00 30.58 ? 205 SER A N   1 
ATOM   1633 C CA  . SER A 1 205 ? 5.813   3.022   25.091 1.00 27.39 ? 205 SER A CA  1 
ATOM   1634 C C   . SER A 1 205 ? 6.278   2.595   23.699 1.00 28.73 ? 205 SER A C   1 
ATOM   1635 O O   . SER A 1 205 ? 6.263   3.402   22.768 1.00 30.21 ? 205 SER A O   1 
ATOM   1636 C CB  . SER A 1 205 ? 4.561   3.884   25.022 1.00 28.84 ? 205 SER A CB  1 
ATOM   1637 O OG  . SER A 1 205 ? 3.462   3.116   24.548 1.00 35.87 ? 205 SER A OG  1 
ATOM   1638 N N   . SER A 1 206 ? 6.647   1.329   23.560 1.00 25.03 ? 206 SER A N   1 
ATOM   1639 C CA  . SER A 1 206 ? 7.264   0.856   22.332 1.00 27.69 ? 206 SER A CA  1 
ATOM   1640 C C   . SER A 1 206 ? 6.551   -0.388  21.846 1.00 31.95 ? 206 SER A C   1 
ATOM   1641 O O   . SER A 1 206 ? 6.305   -1.306  22.631 1.00 29.55 ? 206 SER A O   1 
ATOM   1642 C CB  . SER A 1 206 ? 8.742   0.571   22.553 1.00 28.66 ? 206 SER A CB  1 
ATOM   1643 O OG  . SER A 1 206 ? 9.353   1.728   23.105 1.00 27.89 ? 206 SER A OG  1 
ATOM   1644 N N   . PHE A 1 207 ? 6.258   -0.427  20.547 1.00 25.81 ? 207 PHE A N   1 
ATOM   1645 C CA  . PHE A 1 207 ? 5.463   -1.492  19.955 1.00 29.74 ? 207 PHE A CA  1 
ATOM   1646 C C   . PHE A 1 207 ? 6.061   -1.880  18.621 1.00 32.67 ? 207 PHE A C   1 
ATOM   1647 O O   . PHE A 1 207 ? 6.669   -1.056  17.938 1.00 29.15 ? 207 PHE A O   1 
ATOM   1648 C CB  . PHE A 1 207 ? 4.018   -1.062  19.728 1.00 30.24 ? 207 PHE A CB  1 
ATOM   1649 C CG  . PHE A 1 207 ? 3.255   -0.817  20.990 1.00 30.20 ? 207 PHE A CG  1 
ATOM   1650 C CD1 . PHE A 1 207 ? 3.348   0.400   21.629 1.00 31.27 ? 207 PHE A CD1 1 
ATOM   1651 C CD2 . PHE A 1 207 ? 2.402   -1.781  21.507 1.00 34.70 ? 207 PHE A CD2 1 
ATOM   1652 C CE1 . PHE A 1 207 ? 2.655   0.646   22.791 1.00 31.75 ? 207 PHE A CE1 1 
ATOM   1653 C CE2 . PHE A 1 207 ? 1.697   -1.534  22.664 1.00 32.45 ? 207 PHE A CE2 1 
ATOM   1654 C CZ  . PHE A 1 207 ? 1.818   -0.327  23.307 1.00 36.17 ? 207 PHE A CZ  1 
ATOM   1655 N N   . TYR A 1 208 ? 5.856   -3.134  18.238 1.00 29.44 ? 208 TYR A N   1 
ATOM   1656 C CA  . TYR A 1 208 ? 6.321   -3.584  16.941 1.00 28.16 ? 208 TYR A CA  1 
ATOM   1657 C C   . TYR A 1 208 ? 5.311   -4.562  16.366 1.00 31.77 ? 208 TYR A C   1 
ATOM   1658 O O   . TYR A 1 208 ? 4.598   -5.245  17.117 1.00 30.90 ? 208 TYR A O   1 
ATOM   1659 C CB  . TYR A 1 208 ? 7.707   -4.242  17.012 1.00 30.40 ? 208 TYR A CB  1 
ATOM   1660 C CG  . TYR A 1 208 ? 7.807   -5.370  18.014 1.00 33.50 ? 208 TYR A CG  1 
ATOM   1661 C CD1 . TYR A 1 208 ? 8.151   -5.119  19.334 1.00 37.66 ? 208 TYR A CD1 1 
ATOM   1662 C CD2 . TYR A 1 208 ? 7.576   -6.688  17.635 1.00 35.81 ? 208 TYR A CD2 1 
ATOM   1663 C CE1 . TYR A 1 208 ? 8.246   -6.158  20.262 1.00 39.70 ? 208 TYR A CE1 1 
ATOM   1664 C CE2 . TYR A 1 208 ? 7.678   -7.721  18.545 1.00 38.40 ? 208 TYR A CE2 1 
ATOM   1665 C CZ  . TYR A 1 208 ? 8.014   -7.455  19.853 1.00 41.78 ? 208 TYR A CZ  1 
ATOM   1666 O OH  . TYR A 1 208 ? 8.102   -8.494  20.758 1.00 44.28 ? 208 TYR A OH  1 
ATOM   1667 N N   . PRO A 1 209 ? 5.201   -4.617  15.047 1.00 30.00 ? 209 PRO A N   1 
ATOM   1668 C CA  . PRO A 1 209 ? 4.324   -5.602  14.419 1.00 31.52 ? 209 PRO A CA  1 
ATOM   1669 C C   . PRO A 1 209 ? 4.970   -6.969  14.412 1.00 31.81 ? 209 PRO A C   1 
ATOM   1670 O O   . PRO A 1 209 ? 6.190   -7.118  14.343 1.00 30.09 ? 209 PRO A O   1 
ATOM   1671 C CB  . PRO A 1 209 ? 4.157   -5.082  12.984 1.00 28.33 ? 209 PRO A CB  1 
ATOM   1672 C CG  . PRO A 1 209 ? 5.450   -4.311  12.720 1.00 29.72 ? 209 PRO A CG  1 
ATOM   1673 C CD  . PRO A 1 209 ? 5.916   -3.784  14.064 1.00 29.85 ? 209 PRO A CD  1 
ATOM   1674 N N   . VAL A 1 210 ? 4.115   -7.975  14.481 1.00 27.11 ? 210 VAL A N   1 
ATOM   1675 C CA  . VAL A 1 210 ? 4.506   -9.366  14.349 1.00 35.40 ? 210 VAL A CA  1 
ATOM   1676 C C   . VAL A 1 210 ? 4.022   -9.823  12.988 1.00 36.08 ? 210 VAL A C   1 
ATOM   1677 O O   . VAL A 1 210 ? 2.885   -9.526  12.604 1.00 36.34 ? 210 VAL A O   1 
ATOM   1678 C CB  . VAL A 1 210 ? 3.893   -10.220 15.473 1.00 34.72 ? 210 VAL A CB  1 
ATOM   1679 C CG1 . VAL A 1 210 ? 4.098   -11.706 15.183 1.00 41.87 ? 210 VAL A CG1 1 
ATOM   1680 C CG2 . VAL A 1 210 ? 4.498   -9.828  16.795 1.00 42.22 ? 210 VAL A CG2 1 
ATOM   1681 N N   . LYS A 1 211 ? 4.884   -10.511 12.250 1.00 37.51 ? 211 LYS A N   1 
ATOM   1682 C CA  . LYS A 1 211 ? 4.508   -11.076 10.965 1.00 43.49 ? 211 LYS A CA  1 
ATOM   1683 C C   . LYS A 1 211 ? 5.116   -12.462 10.880 1.00 49.80 ? 211 LYS A C   1 
ATOM   1684 O O   . LYS A 1 211 ? 6.341   -12.602 10.926 1.00 48.60 ? 211 LYS A O   1 
ATOM   1685 C CB  . LYS A 1 211 ? 4.984   -10.202 9.805  1.00 40.77 ? 211 LYS A CB  1 
ATOM   1686 C CG  . LYS A 1 211 ? 4.074   -10.266 8.586  1.00 45.59 ? 211 LYS A CG  1 
ATOM   1687 C CD  . LYS A 1 211 ? 4.591   -11.223 7.535  1.00 50.74 ? 211 LYS A CD  1 
ATOM   1688 C CE  . LYS A 1 211 ? 3.672   -11.242 6.306  1.00 46.36 ? 211 LYS A CE  1 
ATOM   1689 N NZ  . LYS A 1 211 ? 2.230   -11.368 6.662  1.00 51.33 ? 211 LYS A NZ  1 
ATOM   1690 N N   . ASN A 1 212 ? 4.260   -13.472 10.767 1.00 53.82 ? 212 ASN A N   1 
ATOM   1691 C CA  . ASN A 1 212 ? 4.696   -14.860 10.656 1.00 59.47 ? 212 ASN A CA  1 
ATOM   1692 C C   . ASN A 1 212 ? 5.209   -15.149 9.256  1.00 61.11 ? 212 ASN A C   1 
ATOM   1693 O O   . ASN A 1 212 ? 6.245   -15.790 9.078  1.00 66.48 ? 212 ASN A O   1 
ATOM   1694 C CB  . ASN A 1 212 ? 3.545   -15.800 10.993 1.00 58.47 ? 212 ASN A CB  1 
ATOM   1695 C CG  . ASN A 1 212 ? 3.193   -15.770 12.460 1.00 65.20 ? 212 ASN A CG  1 
ATOM   1696 O OD1 . ASN A 1 212 ? 4.038   -15.472 13.308 1.00 63.26 ? 212 ASN A OD1 1 
ATOM   1697 N ND2 . ASN A 1 212 ? 1.930   -16.050 12.771 1.00 71.11 ? 212 ASN A ND2 1 
ATOM   1698 O OXT . ASN A 1 212 ? 4.592   -14.741 8.270  1.00 63.67 ? 212 ASN A OXT 1 
HETATM 1699 O O1  . E6C B 2 .   ? 0.834   14.524  17.924 0.58 35.37 ? 301 E6C A O1  1 
HETATM 1700 C C2  . E6C B 2 .   ? 2.694   13.144  17.207 0.58 32.26 ? 301 E6C A C2  1 
HETATM 1701 C C3  . E6C B 2 .   ? 1.185   13.274  17.404 0.58 34.79 ? 301 E6C A C3  1 
HETATM 1702 C C4  . E6C B 2 .   ? 0.688   12.162  18.318 0.58 36.04 ? 301 E6C A C4  1 
HETATM 1703 O O5  . E6C B 2 .   ? 0.057   11.219  17.881 0.58 34.98 ? 301 E6C A O5  1 
HETATM 1704 N N6  . E6C B 2 .   ? 0.990   12.283  19.618 0.58 41.12 ? 301 E6C A N6  1 
HETATM 1705 C C7  . E6C B 2 .   ? 0.559   11.289  20.560 0.58 44.34 ? 301 E6C A C7  1 
HETATM 1706 C C8  . E6C B 2 .   ? -0.719  11.799  21.210 0.58 44.76 ? 301 E6C A C8  1 
HETATM 1707 O O9  . E6C B 2 .   ? -0.747  12.880  21.775 0.58 48.86 ? 301 E6C A O9  1 
HETATM 1708 N N10 . E6C B 2 .   ? -1.777  10.990  21.098 0.58 45.42 ? 301 E6C A N10 1 
HETATM 1709 C C11 . E6C B 2 .   ? -3.055  11.364  21.654 0.58 46.54 ? 301 E6C A C11 1 
HETATM 1710 C C12 . E6C B 2 .   ? -3.621  10.219  22.462 0.58 51.26 ? 301 E6C A C12 1 
HETATM 1711 C C13 . E6C B 2 .   ? -3.612  10.406  23.985 0.58 61.12 ? 301 E6C A C13 1 
HETATM 1712 C C14 . E6C B 2 .   ? -2.417  11.241  24.445 0.58 58.61 ? 301 E6C A C14 1 
HETATM 1713 C C15 . E6C B 2 .   ? -4.925  10.970  24.527 0.58 58.61 ? 301 E6C A C15 1 
HETATM 1714 C C16 . E6C B 2 .   ? 3.163   14.003  16.019 0.58 31.68 ? 301 E6C A C16 1 
HETATM 1715 O O17 . E6C B 2 .   ? 4.133   14.763  16.213 0.58 35.47 ? 301 E6C A O17 1 
HETATM 1716 O O18 . E6C B 2 .   ? 2.515   13.870  14.972 0.58 29.04 ? 301 E6C A O18 1 
HETATM 1717 C C19 . E6C B 2 .   ? 1.605   11.077  21.648 0.58 42.47 ? 301 E6C A C19 1 
HETATM 1718 C C20 . E6C B 2 .   ? 2.501   9.856   21.447 0.58 37.68 ? 301 E6C A C20 1 
HETATM 1719 C C21 . E6C B 2 .   ? 2.821   9.299   22.830 0.58 39.66 ? 301 E6C A C21 1 
HETATM 1720 C C22 . E6C B 2 .   ? 1.882   8.788   20.546 0.58 36.45 ? 301 E6C A C22 1 
HETATM 1721 O O   . HOH C 3 .   ? 19.864  -7.685  14.010 1.00 46.29 ? 401 HOH A O   1 
HETATM 1722 O O   . HOH C 3 .   ? 14.695  21.397  25.305 1.00 34.65 ? 402 HOH A O   1 
HETATM 1723 O O   . HOH C 3 .   ? 17.541  20.222  12.446 1.00 40.99 ? 403 HOH A O   1 
HETATM 1724 O O   . HOH C 3 .   ? 15.777  6.378   5.064  1.00 34.43 ? 404 HOH A O   1 
HETATM 1725 O O   . HOH C 3 .   ? 6.393   6.447   7.496  1.00 26.36 ? 405 HOH A O   1 
HETATM 1726 O O   . HOH C 3 .   ? 23.775  16.828  10.406 1.00 46.97 ? 406 HOH A O   1 
HETATM 1727 O O   . HOH C 3 .   ? 20.454  18.532  9.236  1.00 44.49 ? 407 HOH A O   1 
HETATM 1728 O O   . HOH C 3 .   ? 6.911   -0.157  25.931 1.00 36.22 ? 408 HOH A O   1 
HETATM 1729 O O   . HOH C 3 .   ? 24.744  -11.555 20.340 1.00 42.65 ? 409 HOH A O   1 
HETATM 1730 O O   . HOH C 3 .   ? 7.481   -10.866 13.699 1.00 45.70 ? 410 HOH A O   1 
HETATM 1731 O O   . HOH C 3 .   ? -8.158  -7.809  5.570  1.00 44.86 ? 411 HOH A O   1 
HETATM 1732 O O   . HOH C 3 .   ? -10.043 9.049   13.857 1.00 47.99 ? 412 HOH A O   1 
HETATM 1733 O O   . HOH C 3 .   ? 4.306   2.542   -2.761 1.00 35.42 ? 413 HOH A O   1 
HETATM 1734 O O   . HOH C 3 .   ? -9.117  8.671   -3.150 1.00 28.66 ? 414 HOH A O   1 
HETATM 1735 O O   . HOH C 3 .   ? 10.860  2.673   6.643  1.00 23.04 ? 415 HOH A O   1 
HETATM 1736 O O   . HOH C 3 .   ? 19.698  20.578  19.636 1.00 37.08 ? 416 HOH A O   1 
HETATM 1737 O O   . HOH C 3 .   ? 9.245   -3.894  12.583 1.00 29.13 ? 417 HOH A O   1 
HETATM 1738 O O   . HOH C 3 .   ? 5.579   16.523  14.961 1.00 35.46 ? 418 HOH A O   1 
HETATM 1739 O O   . HOH C 3 .   ? 0.806   -5.014  13.211 1.00 31.45 ? 419 HOH A O   1 
HETATM 1740 O O   . HOH C 3 .   ? 15.093  -10.094 12.392 1.00 49.14 ? 420 HOH A O   1 
HETATM 1741 O O   . HOH C 3 .   ? 9.703   7.896   -0.955 1.00 37.69 ? 421 HOH A O   1 
HETATM 1742 O O   . HOH C 3 .   ? 20.695  22.335  21.961 1.00 44.97 ? 422 HOH A O   1 
HETATM 1743 O O   . HOH C 3 .   ? 9.681   15.767  32.565 1.00 45.47 ? 423 HOH A O   1 
HETATM 1744 O O   . HOH C 3 .   ? 5.916   4.247   -2.991 1.00 40.71 ? 424 HOH A O   1 
HETATM 1745 O O   . HOH C 3 .   ? 24.945  2.825   11.403 1.00 45.47 ? 425 HOH A O   1 
HETATM 1746 O O   . HOH C 3 .   ? 11.742  -0.438  27.160 1.00 29.59 ? 426 HOH A O   1 
HETATM 1747 O O   . HOH C 3 .   ? 11.880  17.604  24.160 1.00 29.26 ? 427 HOH A O   1 
HETATM 1748 O O   . HOH C 3 .   ? 19.296  6.020   28.989 1.00 35.95 ? 428 HOH A O   1 
HETATM 1749 O O   . HOH C 3 .   ? -4.665  9.393   -0.547 1.00 25.76 ? 429 HOH A O   1 
HETATM 1750 O O   . HOH C 3 .   ? 10.278  9.373   7.878  1.00 27.75 ? 430 HOH A O   1 
HETATM 1751 O O   . HOH C 3 .   ? 6.500   5.535   3.880  1.00 27.96 ? 431 HOH A O   1 
HETATM 1752 O O   . HOH C 3 .   ? 11.577  0.570   8.126  1.00 27.83 ? 432 HOH A O   1 
HETATM 1753 O O   . HOH C 3 .   ? -8.041  5.706   -5.358 1.00 28.29 ? 433 HOH A O   1 
HETATM 1754 O O   . HOH C 3 .   ? 8.882   4.392   23.645 1.00 29.13 ? 434 HOH A O   1 
HETATM 1755 O O   . HOH C 3 .   ? 19.666  16.747  7.285  1.00 34.56 ? 435 HOH A O   1 
HETATM 1756 O O   . HOH C 3 .   ? -11.596 9.202   8.841  1.00 39.89 ? 436 HOH A O   1 
HETATM 1757 O O   . HOH C 3 .   ? 17.963  6.654   26.348 1.00 29.86 ? 437 HOH A O   1 
HETATM 1758 O O   . HOH C 3 .   ? 2.515   -7.147  23.853 1.00 43.54 ? 438 HOH A O   1 
HETATM 1759 O O   . HOH C 3 .   ? 15.681  3.955   1.663  1.00 43.59 ? 439 HOH A O   1 
HETATM 1760 O O   . HOH C 3 .   ? 14.311  18.859  23.750 1.00 29.18 ? 440 HOH A O   1 
HETATM 1761 O O   . HOH C 3 .   ? 25.766  -1.574  21.618 1.00 27.91 ? 441 HOH A O   1 
HETATM 1762 O O   . HOH C 3 .   ? 7.485   9.583   13.094 1.00 26.36 ? 442 HOH A O   1 
HETATM 1763 O O   . HOH C 3 .   ? 17.088  0.837   3.717  1.00 34.49 ? 443 HOH A O   1 
HETATM 1764 O O   . HOH C 3 .   ? 18.018  -5.454  0.149  1.00 53.20 ? 444 HOH A O   1 
HETATM 1765 O O   . HOH C 3 .   ? 2.438   8.382   -5.324 1.00 49.23 ? 445 HOH A O   1 
HETATM 1766 O O   . HOH C 3 .   ? 8.675   5.616   6.234  1.00 26.34 ? 446 HOH A O   1 
HETATM 1767 O O   . HOH C 3 .   ? 23.571  2.337   14.189 1.00 34.40 ? 447 HOH A O   1 
HETATM 1768 O O   . HOH C 3 .   ? 15.662  -3.315  0.080  1.00 47.45 ? 448 HOH A O   1 
HETATM 1769 O O   . HOH C 3 .   ? 7.402   8.958   30.365 1.00 42.72 ? 449 HOH A O   1 
HETATM 1770 O O   . HOH C 3 .   ? 4.990   3.440   20.298 1.00 30.06 ? 450 HOH A O   1 
HETATM 1771 O O   . HOH C 3 .   ? 22.374  19.446  16.961 1.00 42.34 ? 451 HOH A O   1 
HETATM 1772 O O   . HOH C 3 .   ? 3.421   -5.750  -0.295 1.00 42.63 ? 452 HOH A O   1 
HETATM 1773 O O   . HOH C 3 .   ? -7.197  8.511   12.891 1.00 32.80 ? 453 HOH A O   1 
HETATM 1774 O O   . HOH C 3 .   ? -8.120  -0.388  6.455  1.00 46.26 ? 454 HOH A O   1 
HETATM 1775 O O   . HOH C 3 .   ? 16.597  0.343   31.434 1.00 41.78 ? 455 HOH A O   1 
HETATM 1776 O O   . HOH C 3 .   ? 8.680   -3.463  2.923  1.00 33.03 ? 456 HOH A O   1 
HETATM 1777 O O   . HOH C 3 .   ? 5.445   17.236  25.616 1.00 37.67 ? 457 HOH A O   1 
HETATM 1778 O O   . HOH C 3 .   ? 17.605  10.325  4.489  1.00 38.21 ? 458 HOH A O   1 
HETATM 1779 O O   . HOH C 3 .   ? 19.629  3.552   30.492 1.00 41.14 ? 459 HOH A O   1 
HETATM 1780 O O   . HOH C 3 .   ? 9.979   -6.707  25.917 1.00 38.51 ? 460 HOH A O   1 
HETATM 1781 O O   . HOH C 3 .   ? 27.017  6.069   14.720 1.00 46.01 ? 461 HOH A O   1 
HETATM 1782 O O   . HOH C 3 .   ? -11.480 3.578   -6.781 1.00 49.14 ? 462 HOH A O   1 
HETATM 1783 O O   . HOH C 3 .   ? -14.083 6.837   7.305  1.00 39.55 ? 463 HOH A O   1 
HETATM 1784 O O   . HOH C 3 .   ? -7.630  15.243  11.907 1.00 32.89 ? 464 HOH A O   1 
HETATM 1785 O O   . HOH C 3 .   ? 21.620  9.518   9.120  1.00 33.09 ? 465 HOH A O   1 
HETATM 1786 O O   . HOH C 3 .   ? 12.962  13.724  9.921  1.00 23.25 ? 466 HOH A O   1 
HETATM 1787 O O   . HOH C 3 .   ? 9.888   0.859   25.780 1.00 32.31 ? 467 HOH A O   1 
HETATM 1788 O O   . HOH C 3 .   ? 15.736  9.508   3.116  1.00 31.76 ? 468 HOH A O   1 
HETATM 1789 O O   . HOH C 3 .   ? 22.144  16.907  23.057 1.00 34.76 ? 469 HOH A O   1 
HETATM 1790 O O   . HOH C 3 .   ? -1.908  -1.075  -2.549 1.00 29.15 ? 470 HOH A O   1 
HETATM 1791 O O   . HOH C 3 .   ? -13.198 2.190   2.415  1.00 44.98 ? 471 HOH A O   1 
HETATM 1792 O O   . HOH C 3 .   ? 6.358   7.884   -1.511 1.00 37.45 ? 472 HOH A O   1 
HETATM 1793 O O   A HOH C 3 .   ? 15.151  12.856  29.529 0.65 27.72 ? 473 HOH A O   1 
HETATM 1794 O O   B HOH C 3 .   ? 14.161  11.697  30.554 0.35 33.27 ? 473 HOH A O   1 
HETATM 1795 O O   . HOH C 3 .   ? 27.837  13.724  19.345 1.00 40.28 ? 474 HOH A O   1 
HETATM 1796 O O   . HOH C 3 .   ? 28.747  -7.003  17.584 1.00 42.21 ? 475 HOH A O   1 
HETATM 1797 O O   . HOH C 3 .   ? 19.214  10.466  31.232 1.00 44.42 ? 476 HOH A O   1 
HETATM 1798 O O   . HOH C 3 .   ? -7.217  16.558  9.350  1.00 31.20 ? 477 HOH A O   1 
HETATM 1799 O O   . HOH C 3 .   ? -4.989  16.228  -1.076 1.00 39.91 ? 478 HOH A O   1 
HETATM 1800 O O   . HOH C 3 .   ? 6.322   0.747   -2.621 1.00 37.65 ? 479 HOH A O   1 
HETATM 1801 O O   . HOH C 3 .   ? 2.556   9.871   -0.638 1.00 29.86 ? 480 HOH A O   1 
HETATM 1802 O O   . HOH C 3 .   ? 21.031  -12.205 20.661 1.00 43.25 ? 481 HOH A O   1 
HETATM 1803 O O   . HOH C 3 .   ? 27.915  7.949   29.339 1.00 59.92 ? 482 HOH A O   1 
HETATM 1804 O O   . HOH C 3 .   ? 26.051  14.567  12.080 1.00 47.94 ? 483 HOH A O   1 
HETATM 1805 O O   . HOH C 3 .   ? 2.756   4.266   21.853 1.00 40.45 ? 484 HOH A O   1 
HETATM 1806 O O   . HOH C 3 .   ? 12.363  24.179  25.077 1.00 45.45 ? 485 HOH A O   1 
HETATM 1807 O O   . HOH C 3 .   ? -1.636  -8.827  18.656 1.00 46.89 ? 486 HOH A O   1 
HETATM 1808 O O   . HOH C 3 .   ? 8.950   7.652   11.938 1.00 26.23 ? 487 HOH A O   1 
HETATM 1809 O O   . HOH C 3 .   ? 0.467   7.685   2.784  1.00 28.62 ? 488 HOH A O   1 
HETATM 1810 O O   . HOH C 3 .   ? 18.078  -2.651  30.731 1.00 40.33 ? 489 HOH A O   1 
HETATM 1811 O O   . HOH C 3 .   ? 7.375   18.706  9.922  1.00 45.81 ? 490 HOH A O   1 
HETATM 1812 O O   . HOH C 3 .   ? -12.742 14.175  1.760  1.00 34.97 ? 491 HOH A O   1 
HETATM 1813 O O   . HOH C 3 .   ? -13.526 11.429  -2.455 1.00 32.13 ? 492 HOH A O   1 
HETATM 1814 O O   . HOH C 3 .   ? -2.348  -3.731  -3.566 1.00 51.42 ? 493 HOH A O   1 
HETATM 1815 O O   . HOH C 3 .   ? 1.566   -9.509  3.584  1.00 40.61 ? 494 HOH A O   1 
HETATM 1816 O O   . HOH C 3 .   ? -7.231  -7.798  0.900  1.00 48.02 ? 495 HOH A O   1 
HETATM 1817 O O   . HOH C 3 .   ? 28.334  -4.862  15.438 1.00 41.22 ? 496 HOH A O   1 
HETATM 1818 O O   . HOH C 3 .   ? -4.996  -9.102  -0.396 1.00 49.96 ? 497 HOH A O   1 
HETATM 1819 O O   . HOH C 3 .   ? 28.230  -2.244  22.962 1.00 46.51 ? 498 HOH A O   1 
HETATM 1820 O O   . HOH C 3 .   ? 3.618   7.940   -2.646 1.00 39.59 ? 499 HOH A O   1 
HETATM 1821 O O   . HOH C 3 .   ? 8.512   7.933   9.152  1.00 28.27 ? 500 HOH A O   1 
HETATM 1822 O O   . HOH C 3 .   ? -13.316 4.323   9.399  1.00 47.32 ? 501 HOH A O   1 
HETATM 1823 O O   . HOH C 3 .   ? 13.046  -14.652 -2.665 1.00 53.63 ? 502 HOH A O   1 
# 
