data_9EQY
# 
_entry.id   9EQY 
# 
_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   9EQY         pdb_00009eqy 10.2210/pdb9eqy/pdb 
WWPDB D_1292137444 ?            ?                   
# 
_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       2025-04-02 
_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                        9EQY 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-22 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_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_contact_author.id 
_pdbx_contact_author.email 
_pdbx_contact_author.name_first 
_pdbx_contact_author.name_last 
_pdbx_contact_author.name_mi 
_pdbx_contact_author.role 
_pdbx_contact_author.identifier_ORCID 
5 robin.owen@diamond.ac.uk    Robin   Owen  ? 'principal investigator/group leader' 0000-0002-2104-7057 
6 Michael.Hough@diamond.ac.uk Michael Hough ? 'principal investigator/group leader' 0000-0001-7377-6713 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Owen, R.L.'   1 ? 
'Hough, M.A.'  2 ? 
'Worrall, J.'  3 ? 
'Williams, L.' 4 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'Damage before destruction? X-ray induced changes in single pulse serial femtosecond crystallography' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Williams, L.J.'     1  ? 
primary 'Thompson, A.J.'     2  ? 
primary 'Dijkstal, P.'       3  ? 
primary 'Appleby, M.'        4  ? 
primary 'Assman, G.'         5  ? 
primary 'Dworkowski, F.S.N.' 6  ? 
primary 'Hiller, N.'         7  ? 
primary 'Huang, C.'          8  ? 
primary 'Mason, T.'          9  ? 
primary 'Perrett, S.'        10 ? 
primary 'Prat, E.'           11 ? 
primary 'Voulot, D.'         12 ? 
primary 'Pedrinia, B.'       13 ? 
primary 'Beale, J.H.'        14 ? 
primary 'Hough, M.A.'        15 ? 
primary 'Worrall, J.A.R.'    16 ? 
primary 'Owen, R.L.'         17 ? 
# 
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 'Thaumatin I'        22228.043 1   ? ? ? ? 
2 non-polymer syn 'L(+)-TARTARIC ACID' 150.087   1   ? ? ? ? 
3 water       nat water                18.015    184 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        Thaumatin-1 
# 
_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       
;ATFEIVNRCSYTVWAAASKGDAALDAGGRQLNSGESWTINVEPGTNGGKIWARTDCYFDDSGSGICKTGDCGGLLRCKRF
GRPPTTLAEFSLNQYGKDYIDISNIKGFNVPMDFSPTTRGCRGVRCAADIVGQCPAKLKAPGGGCNDACTVFQTSEYCCT
TGKCGPTEYSRFFKRLCPDAFSYVLDKPTTVTCPGSSNYRVTFCPTA
;
_entity_poly.pdbx_seq_one_letter_code_can   
;ATFEIVNRCSYTVWAAASKGDAALDAGGRQLNSGESWTINVEPGTNGGKIWARTDCYFDDSGSGICKTGDCGGLLRCKRF
GRPPTTLAEFSLNQYGKDYIDISNIKGFNVPMDFSPTTRGCRGVRCAADIVGQCPAKLKAPGGGCNDACTVFQTSEYCCT
TGKCGPTEYSRFFKRLCPDAFSYVLDKPTTVTCPGSSNYRVTFCPTA
;
_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 'L(+)-TARTARIC ACID' TLA 
3 water                HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ALA n 
1 2   THR n 
1 3   PHE n 
1 4   GLU n 
1 5   ILE n 
1 6   VAL n 
1 7   ASN n 
1 8   ARG n 
1 9   CYS n 
1 10  SER n 
1 11  TYR n 
1 12  THR n 
1 13  VAL n 
1 14  TRP n 
1 15  ALA n 
1 16  ALA n 
1 17  ALA n 
1 18  SER n 
1 19  LYS n 
1 20  GLY n 
1 21  ASP n 
1 22  ALA n 
1 23  ALA n 
1 24  LEU n 
1 25  ASP n 
1 26  ALA n 
1 27  GLY n 
1 28  GLY n 
1 29  ARG n 
1 30  GLN n 
1 31  LEU n 
1 32  ASN n 
1 33  SER n 
1 34  GLY n 
1 35  GLU n 
1 36  SER n 
1 37  TRP n 
1 38  THR n 
1 39  ILE n 
1 40  ASN n 
1 41  VAL n 
1 42  GLU n 
1 43  PRO n 
1 44  GLY n 
1 45  THR n 
1 46  ASN n 
1 47  GLY n 
1 48  GLY n 
1 49  LYS n 
1 50  ILE n 
1 51  TRP n 
1 52  ALA n 
1 53  ARG n 
1 54  THR n 
1 55  ASP n 
1 56  CYS n 
1 57  TYR n 
1 58  PHE n 
1 59  ASP n 
1 60  ASP n 
1 61  SER n 
1 62  GLY n 
1 63  SER n 
1 64  GLY n 
1 65  ILE n 
1 66  CYS n 
1 67  LYS n 
1 68  THR n 
1 69  GLY n 
1 70  ASP n 
1 71  CYS n 
1 72  GLY n 
1 73  GLY n 
1 74  LEU n 
1 75  LEU n 
1 76  ARG n 
1 77  CYS n 
1 78  LYS n 
1 79  ARG n 
1 80  PHE n 
1 81  GLY n 
1 82  ARG n 
1 83  PRO n 
1 84  PRO n 
1 85  THR n 
1 86  THR n 
1 87  LEU n 
1 88  ALA n 
1 89  GLU n 
1 90  PHE n 
1 91  SER n 
1 92  LEU n 
1 93  ASN n 
1 94  GLN n 
1 95  TYR n 
1 96  GLY n 
1 97  LYS n 
1 98  ASP n 
1 99  TYR n 
1 100 ILE n 
1 101 ASP n 
1 102 ILE n 
1 103 SER n 
1 104 ASN n 
1 105 ILE n 
1 106 LYS n 
1 107 GLY n 
1 108 PHE n 
1 109 ASN n 
1 110 VAL n 
1 111 PRO n 
1 112 MET n 
1 113 ASP n 
1 114 PHE n 
1 115 SER n 
1 116 PRO n 
1 117 THR n 
1 118 THR n 
1 119 ARG n 
1 120 GLY n 
1 121 CYS n 
1 122 ARG n 
1 123 GLY n 
1 124 VAL n 
1 125 ARG n 
1 126 CYS n 
1 127 ALA n 
1 128 ALA n 
1 129 ASP n 
1 130 ILE n 
1 131 VAL n 
1 132 GLY n 
1 133 GLN n 
1 134 CYS n 
1 135 PRO n 
1 136 ALA n 
1 137 LYS n 
1 138 LEU n 
1 139 LYS n 
1 140 ALA n 
1 141 PRO n 
1 142 GLY n 
1 143 GLY n 
1 144 GLY n 
1 145 CYS n 
1 146 ASN n 
1 147 ASP n 
1 148 ALA n 
1 149 CYS n 
1 150 THR n 
1 151 VAL n 
1 152 PHE n 
1 153 GLN n 
1 154 THR n 
1 155 SER n 
1 156 GLU n 
1 157 TYR n 
1 158 CYS n 
1 159 CYS n 
1 160 THR n 
1 161 THR n 
1 162 GLY n 
1 163 LYS n 
1 164 CYS n 
1 165 GLY n 
1 166 PRO n 
1 167 THR n 
1 168 GLU n 
1 169 TYR n 
1 170 SER n 
1 171 ARG n 
1 172 PHE n 
1 173 PHE n 
1 174 LYS n 
1 175 ARG n 
1 176 LEU n 
1 177 CYS n 
1 178 PRO n 
1 179 ASP n 
1 180 ALA n 
1 181 PHE n 
1 182 SER n 
1 183 TYR n 
1 184 VAL n 
1 185 LEU n 
1 186 ASP n 
1 187 LYS n 
1 188 PRO n 
1 189 THR n 
1 190 THR n 
1 191 VAL n 
1 192 THR n 
1 193 CYS n 
1 194 PRO n 
1 195 GLY n 
1 196 SER n 
1 197 SER n 
1 198 ASN n 
1 199 TYR n 
1 200 ARG n 
1 201 VAL n 
1 202 THR n 
1 203 PHE n 
1 204 CYS n 
1 205 PRO n 
1 206 THR n 
1 207 ALA 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           207 
_entity_src_nat.common_name                ? 
_entity_src_nat.pdbx_organism_scientific   'Thaumatococcus daniellii' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      4621 
_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 
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  
HOH non-polymer         . WATER                ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE           ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE              ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE               ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE           ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE        ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE              ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE               ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE            ? 'C4 H9 N O3'     119.119 
TLA non-polymer         . 'L(+)-TARTARIC ACID' ? 'C4 H6 O6'       150.087 
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   ALA 1   1   1   ALA ALA A . n 
A 1 2   THR 2   2   2   THR THR A . n 
A 1 3   PHE 3   3   3   PHE PHE A . n 
A 1 4   GLU 4   4   4   GLU GLU A . n 
A 1 5   ILE 5   5   5   ILE ILE A . n 
A 1 6   VAL 6   6   6   VAL VAL A . n 
A 1 7   ASN 7   7   7   ASN ASN A . n 
A 1 8   ARG 8   8   8   ARG ARG A . n 
A 1 9   CYS 9   9   9   CYS CYS A . n 
A 1 10  SER 10  10  10  SER SER A . n 
A 1 11  TYR 11  11  11  TYR TYR A . n 
A 1 12  THR 12  12  12  THR THR A . n 
A 1 13  VAL 13  13  13  VAL VAL A . n 
A 1 14  TRP 14  14  14  TRP TRP A . n 
A 1 15  ALA 15  15  15  ALA ALA A . n 
A 1 16  ALA 16  16  16  ALA ALA A . n 
A 1 17  ALA 17  17  17  ALA ALA A . n 
A 1 18  SER 18  18  18  SER SER A . n 
A 1 19  LYS 19  19  19  LYS LYS A . n 
A 1 20  GLY 20  20  20  GLY GLY A . n 
A 1 21  ASP 21  21  21  ASP ASP A . n 
A 1 22  ALA 22  22  22  ALA ALA A . n 
A 1 23  ALA 23  23  23  ALA ALA A . n 
A 1 24  LEU 24  24  24  LEU LEU A . n 
A 1 25  ASP 25  25  25  ASP ASP A . n 
A 1 26  ALA 26  26  26  ALA ALA A . n 
A 1 27  GLY 27  27  27  GLY GLY A . n 
A 1 28  GLY 28  28  28  GLY GLY A . n 
A 1 29  ARG 29  29  29  ARG ARG A . n 
A 1 30  GLN 30  30  30  GLN GLN A . n 
A 1 31  LEU 31  31  31  LEU LEU A . n 
A 1 32  ASN 32  32  32  ASN ASN A . n 
A 1 33  SER 33  33  33  SER SER A . n 
A 1 34  GLY 34  34  34  GLY GLY A . n 
A 1 35  GLU 35  35  35  GLU GLU A . n 
A 1 36  SER 36  36  36  SER SER A . n 
A 1 37  TRP 37  37  37  TRP TRP A . n 
A 1 38  THR 38  38  38  THR THR A . n 
A 1 39  ILE 39  39  39  ILE ILE A . n 
A 1 40  ASN 40  40  40  ASN ASN A . n 
A 1 41  VAL 41  41  41  VAL VAL A . n 
A 1 42  GLU 42  42  42  GLU GLU A . n 
A 1 43  PRO 43  43  43  PRO PRO A . n 
A 1 44  GLY 44  44  44  GLY GLY A . n 
A 1 45  THR 45  45  45  THR THR A . n 
A 1 46  ASN 46  46  46  ASN ASN A . n 
A 1 47  GLY 47  47  47  GLY GLY A . n 
A 1 48  GLY 48  48  48  GLY GLY A . n 
A 1 49  LYS 49  49  49  LYS LYS A . n 
A 1 50  ILE 50  50  50  ILE ILE A . n 
A 1 51  TRP 51  51  51  TRP TRP A . n 
A 1 52  ALA 52  52  52  ALA ALA A . n 
A 1 53  ARG 53  53  53  ARG ARG A . n 
A 1 54  THR 54  54  54  THR THR 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  TYR 57  57  57  TYR TYR A . n 
A 1 58  PHE 58  58  58  PHE PHE A . n 
A 1 59  ASP 59  59  59  ASP ASP A . n 
A 1 60  ASP 60  60  60  ASP ASP A . n 
A 1 61  SER 61  61  61  SER SER A . n 
A 1 62  GLY 62  62  62  GLY GLY A . n 
A 1 63  SER 63  63  63  SER SER A . n 
A 1 64  GLY 64  64  64  GLY GLY A . n 
A 1 65  ILE 65  65  65  ILE ILE A . n 
A 1 66  CYS 66  66  66  CYS CYS A . n 
A 1 67  LYS 67  67  67  LYS LYS A . n 
A 1 68  THR 68  68  68  THR THR A . n 
A 1 69  GLY 69  69  69  GLY GLY A . n 
A 1 70  ASP 70  70  70  ASP ASP A . n 
A 1 71  CYS 71  71  71  CYS CYS A . n 
A 1 72  GLY 72  72  72  GLY GLY A . n 
A 1 73  GLY 73  73  73  GLY GLY A . n 
A 1 74  LEU 74  74  74  LEU LEU A . n 
A 1 75  LEU 75  75  75  LEU LEU A . n 
A 1 76  ARG 76  76  76  ARG ARG A . n 
A 1 77  CYS 77  77  77  CYS CYS A . n 
A 1 78  LYS 78  78  78  LYS LYS A . n 
A 1 79  ARG 79  79  79  ARG ARG A . n 
A 1 80  PHE 80  80  80  PHE PHE A . n 
A 1 81  GLY 81  81  81  GLY GLY A . n 
A 1 82  ARG 82  82  82  ARG ARG A . n 
A 1 83  PRO 83  83  83  PRO PRO A . n 
A 1 84  PRO 84  84  84  PRO PRO A . n 
A 1 85  THR 85  85  85  THR THR A . n 
A 1 86  THR 86  86  86  THR THR A . n 
A 1 87  LEU 87  87  87  LEU LEU A . n 
A 1 88  ALA 88  88  88  ALA ALA A . n 
A 1 89  GLU 89  89  89  GLU GLU A . n 
A 1 90  PHE 90  90  90  PHE PHE A . n 
A 1 91  SER 91  91  91  SER SER A . n 
A 1 92  LEU 92  92  92  LEU LEU A . n 
A 1 93  ASN 93  93  93  ASN ASN A . n 
A 1 94  GLN 94  94  94  GLN GLN A . n 
A 1 95  TYR 95  95  95  TYR TYR A . n 
A 1 96  GLY 96  96  96  GLY GLY A . n 
A 1 97  LYS 97  97  97  LYS LYS A . n 
A 1 98  ASP 98  98  98  ASP ASP A . n 
A 1 99  TYR 99  99  99  TYR TYR A . n 
A 1 100 ILE 100 100 100 ILE ILE A . n 
A 1 101 ASP 101 101 101 ASP ASP A . n 
A 1 102 ILE 102 102 102 ILE ILE A . n 
A 1 103 SER 103 103 103 SER SER A . n 
A 1 104 ASN 104 104 104 ASN ASN A . n 
A 1 105 ILE 105 105 105 ILE ILE A . n 
A 1 106 LYS 106 106 106 LYS LYS A . n 
A 1 107 GLY 107 107 107 GLY GLY A . n 
A 1 108 PHE 108 108 108 PHE PHE A . n 
A 1 109 ASN 109 109 109 ASN ASN A . n 
A 1 110 VAL 110 110 110 VAL VAL A . n 
A 1 111 PRO 111 111 111 PRO PRO A . n 
A 1 112 MET 112 112 112 MET MET A . n 
A 1 113 ASP 113 113 113 ASP ASP A . n 
A 1 114 PHE 114 114 114 PHE PHE A . n 
A 1 115 SER 115 115 115 SER SER A . n 
A 1 116 PRO 116 116 116 PRO PRO A . n 
A 1 117 THR 117 117 117 THR THR A . n 
A 1 118 THR 118 118 118 THR THR A . n 
A 1 119 ARG 119 119 119 ARG ARG A . n 
A 1 120 GLY 120 120 120 GLY GLY A . n 
A 1 121 CYS 121 121 121 CYS CYS A . n 
A 1 122 ARG 122 122 122 ARG ARG A . n 
A 1 123 GLY 123 123 123 GLY GLY A . n 
A 1 124 VAL 124 124 124 VAL VAL A . n 
A 1 125 ARG 125 125 125 ARG ARG A . n 
A 1 126 CYS 126 126 126 CYS CYS A . n 
A 1 127 ALA 127 127 127 ALA ALA A . n 
A 1 128 ALA 128 128 128 ALA ALA A . n 
A 1 129 ASP 129 129 129 ASP ASP A . n 
A 1 130 ILE 130 130 130 ILE ILE A . n 
A 1 131 VAL 131 131 131 VAL VAL A . n 
A 1 132 GLY 132 132 132 GLY GLY A . n 
A 1 133 GLN 133 133 133 GLN GLN A . n 
A 1 134 CYS 134 134 134 CYS CYS A . n 
A 1 135 PRO 135 135 135 PRO PRO A . n 
A 1 136 ALA 136 136 136 ALA ALA A . n 
A 1 137 LYS 137 137 137 LYS LYS A . n 
A 1 138 LEU 138 138 138 LEU LEU A . n 
A 1 139 LYS 139 139 139 LYS LYS A . n 
A 1 140 ALA 140 140 140 ALA ALA A . n 
A 1 141 PRO 141 141 141 PRO PRO A . n 
A 1 142 GLY 142 142 142 GLY GLY A . n 
A 1 143 GLY 143 143 143 GLY GLY A . n 
A 1 144 GLY 144 144 144 GLY GLY A . n 
A 1 145 CYS 145 145 145 CYS CYS A . n 
A 1 146 ASN 146 146 146 ASN ASN A . n 
A 1 147 ASP 147 147 147 ASP ASP A . n 
A 1 148 ALA 148 148 148 ALA ALA A . n 
A 1 149 CYS 149 149 149 CYS CYS A . n 
A 1 150 THR 150 150 150 THR THR A . n 
A 1 151 VAL 151 151 151 VAL VAL A . n 
A 1 152 PHE 152 152 152 PHE PHE A . n 
A 1 153 GLN 153 153 153 GLN GLN A . n 
A 1 154 THR 154 154 154 THR THR A . n 
A 1 155 SER 155 155 155 SER SER A . n 
A 1 156 GLU 156 156 156 GLU GLU A . n 
A 1 157 TYR 157 157 157 TYR TYR A . n 
A 1 158 CYS 158 158 158 CYS CYS A . n 
A 1 159 CYS 159 159 159 CYS CYS A . n 
A 1 160 THR 160 160 160 THR THR A . n 
A 1 161 THR 161 161 161 THR THR A . n 
A 1 162 GLY 162 162 162 GLY GLY A . n 
A 1 163 LYS 163 163 163 LYS LYS A . n 
A 1 164 CYS 164 164 164 CYS CYS A . n 
A 1 165 GLY 165 165 165 GLY GLY A . n 
A 1 166 PRO 166 166 166 PRO PRO A . n 
A 1 167 THR 167 167 167 THR THR A . n 
A 1 168 GLU 168 168 168 GLU GLU A . n 
A 1 169 TYR 169 169 169 TYR TYR A . n 
A 1 170 SER 170 170 170 SER SER A . n 
A 1 171 ARG 171 171 171 ARG ARG A . n 
A 1 172 PHE 172 172 172 PHE PHE A . n 
A 1 173 PHE 173 173 173 PHE PHE A . n 
A 1 174 LYS 174 174 174 LYS LYS A . n 
A 1 175 ARG 175 175 175 ARG ARG A . n 
A 1 176 LEU 176 176 176 LEU LEU A . n 
A 1 177 CYS 177 177 177 CYS CYS A . n 
A 1 178 PRO 178 178 178 PRO PRO A . n 
A 1 179 ASP 179 179 179 ASP ASP A . n 
A 1 180 ALA 180 180 180 ALA ALA A . n 
A 1 181 PHE 181 181 181 PHE PHE A . n 
A 1 182 SER 182 182 182 SER SER A . n 
A 1 183 TYR 183 183 183 TYR TYR A . n 
A 1 184 VAL 184 184 184 VAL VAL A . n 
A 1 185 LEU 185 185 185 LEU LEU A . n 
A 1 186 ASP 186 186 186 ASP ASP A . n 
A 1 187 LYS 187 187 187 LYS LYS A . n 
A 1 188 PRO 188 188 188 PRO PRO A . n 
A 1 189 THR 189 189 189 THR THR A . n 
A 1 190 THR 190 190 190 THR THR A . n 
A 1 191 VAL 191 191 191 VAL VAL A . n 
A 1 192 THR 192 192 192 THR THR A . n 
A 1 193 CYS 193 193 193 CYS CYS A . n 
A 1 194 PRO 194 194 194 PRO PRO A . n 
A 1 195 GLY 195 195 195 GLY GLY A . n 
A 1 196 SER 196 196 196 SER SER A . n 
A 1 197 SER 197 197 197 SER SER A . n 
A 1 198 ASN 198 198 198 ASN ASN A . n 
A 1 199 TYR 199 199 199 TYR TYR A . n 
A 1 200 ARG 200 200 200 ARG ARG A . n 
A 1 201 VAL 201 201 201 VAL VAL A . n 
A 1 202 THR 202 202 202 THR THR A . n 
A 1 203 PHE 203 203 203 PHE PHE A . n 
A 1 204 CYS 204 204 204 CYS CYS A . n 
A 1 205 PRO 205 205 205 PRO PRO A . n 
A 1 206 THR 206 206 206 THR THR A . n 
A 1 207 ALA 207 207 ?   ?   ?   A . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 TLA 1   301 301 TLA TLA A . 
C 3 HOH 1   401 401 HOH HOH A . 
C 3 HOH 2   402 402 HOH HOH A . 
C 3 HOH 3   403 403 HOH HOH A . 
C 3 HOH 4   404 404 HOH HOH A . 
C 3 HOH 5   405 405 HOH HOH A . 
C 3 HOH 6   406 407 HOH HOH A . 
C 3 HOH 7   407 406 HOH HOH A . 
C 3 HOH 8   408 410 HOH HOH A . 
C 3 HOH 9   409 409 HOH HOH A . 
C 3 HOH 10  410 415 HOH HOH A . 
C 3 HOH 11  411 413 HOH HOH A . 
C 3 HOH 12  412 412 HOH HOH A . 
C 3 HOH 13  413 408 HOH HOH A . 
C 3 HOH 14  414 411 HOH HOH A . 
C 3 HOH 15  415 417 HOH HOH A . 
C 3 HOH 16  416 416 HOH HOH A . 
C 3 HOH 17  417 414 HOH HOH A . 
C 3 HOH 18  418 418 HOH HOH A . 
C 3 HOH 19  419 419 HOH HOH A . 
C 3 HOH 20  420 420 HOH HOH A . 
C 3 HOH 21  421 421 HOH HOH A . 
C 3 HOH 22  422 422 HOH HOH A . 
C 3 HOH 23  423 425 HOH HOH A . 
C 3 HOH 24  424 423 HOH HOH A . 
C 3 HOH 25  425 426 HOH HOH A . 
C 3 HOH 26  426 428 HOH HOH A . 
C 3 HOH 27  427 427 HOH HOH A . 
C 3 HOH 28  428 424 HOH HOH A . 
C 3 HOH 29  429 430 HOH HOH A . 
C 3 HOH 30  430 431 HOH HOH A . 
C 3 HOH 31  431 432 HOH HOH A . 
C 3 HOH 32  432 433 HOH HOH A . 
C 3 HOH 33  433 429 HOH HOH A . 
C 3 HOH 34  434 439 HOH HOH A . 
C 3 HOH 35  435 434 HOH HOH A . 
C 3 HOH 36  436 435 HOH HOH A . 
C 3 HOH 37  437 436 HOH HOH A . 
C 3 HOH 38  438 438 HOH HOH A . 
C 3 HOH 39  439 437 HOH HOH A . 
C 3 HOH 40  440 440 HOH HOH A . 
C 3 HOH 41  441 441 HOH HOH A . 
C 3 HOH 42  442 444 HOH HOH A . 
C 3 HOH 43  443 442 HOH HOH A . 
C 3 HOH 44  444 445 HOH HOH A . 
C 3 HOH 45  445 443 HOH HOH A . 
C 3 HOH 46  446 446 HOH HOH A . 
C 3 HOH 47  447 447 HOH HOH A . 
C 3 HOH 48  448 448 HOH HOH A . 
C 3 HOH 49  449 449 HOH HOH A . 
C 3 HOH 50  450 451 HOH HOH A . 
C 3 HOH 51  451 450 HOH HOH A . 
C 3 HOH 52  452 452 HOH HOH A . 
C 3 HOH 53  453 453 HOH HOH A . 
C 3 HOH 54  454 454 HOH HOH A . 
C 3 HOH 55  455 457 HOH HOH A . 
C 3 HOH 56  456 455 HOH HOH A . 
C 3 HOH 57  457 458 HOH HOH A . 
C 3 HOH 58  458 456 HOH HOH A . 
C 3 HOH 59  459 459 HOH HOH A . 
C 3 HOH 60  460 477 HOH HOH A . 
C 3 HOH 61  461 465 HOH HOH A . 
C 3 HOH 62  462 464 HOH HOH A . 
C 3 HOH 63  463 461 HOH HOH A . 
C 3 HOH 64  464 462 HOH HOH A . 
C 3 HOH 65  465 466 HOH HOH A . 
C 3 HOH 66  466 463 HOH HOH A . 
C 3 HOH 67  467 460 HOH HOH A . 
C 3 HOH 68  468 470 HOH HOH A . 
C 3 HOH 69  469 467 HOH HOH A . 
C 3 HOH 70  470 468 HOH HOH A . 
C 3 HOH 71  471 480 HOH HOH A . 
C 3 HOH 72  472 471 HOH HOH A . 
C 3 HOH 73  473 469 HOH HOH A . 
C 3 HOH 74  474 474 HOH HOH A . 
C 3 HOH 75  475 473 HOH HOH A . 
C 3 HOH 76  476 472 HOH HOH A . 
C 3 HOH 77  477 478 HOH HOH A . 
C 3 HOH 78  478 475 HOH HOH A . 
C 3 HOH 79  479 476 HOH HOH A . 
C 3 HOH 80  480 479 HOH HOH A . 
C 3 HOH 81  481 485 HOH HOH A . 
C 3 HOH 82  482 484 HOH HOH A . 
C 3 HOH 83  483 482 HOH HOH A . 
C 3 HOH 84  484 483 HOH HOH A . 
C 3 HOH 85  485 481 HOH HOH A . 
C 3 HOH 86  486 487 HOH HOH A . 
C 3 HOH 87  487 488 HOH HOH A . 
C 3 HOH 88  488 486 HOH HOH A . 
C 3 HOH 89  489 489 HOH HOH A . 
C 3 HOH 90  490 490 HOH HOH A . 
C 3 HOH 91  491 493 HOH HOH A . 
C 3 HOH 92  492 491 HOH HOH A . 
C 3 HOH 93  493 492 HOH HOH A . 
C 3 HOH 94  494 494 HOH HOH A . 
C 3 HOH 95  495 495 HOH HOH A . 
C 3 HOH 96  496 496 HOH HOH A . 
C 3 HOH 97  497 497 HOH HOH A . 
C 3 HOH 98  498 501 HOH HOH A . 
C 3 HOH 99  499 498 HOH HOH A . 
C 3 HOH 100 500 500 HOH HOH A . 
C 3 HOH 101 501 499 HOH HOH A . 
C 3 HOH 102 502 502 HOH HOH A . 
C 3 HOH 103 503 503 HOH HOH A . 
C 3 HOH 104 504 506 HOH HOH A . 
C 3 HOH 105 505 509 HOH HOH A . 
C 3 HOH 106 506 507 HOH HOH A . 
C 3 HOH 107 507 508 HOH HOH A . 
C 3 HOH 108 508 510 HOH HOH A . 
C 3 HOH 109 509 512 HOH HOH A . 
C 3 HOH 110 510 513 HOH HOH A . 
C 3 HOH 111 511 511 HOH HOH A . 
C 3 HOH 112 512 504 HOH HOH A . 
C 3 HOH 113 513 515 HOH HOH A . 
C 3 HOH 114 514 516 HOH HOH A . 
C 3 HOH 115 515 518 HOH HOH A . 
C 3 HOH 116 516 517 HOH HOH A . 
C 3 HOH 117 517 519 HOH HOH A . 
C 3 HOH 118 518 505 HOH HOH A . 
C 3 HOH 119 519 520 HOH HOH A . 
C 3 HOH 120 520 522 HOH HOH A . 
C 3 HOH 121 521 530 HOH HOH A . 
C 3 HOH 122 522 523 HOH HOH A . 
C 3 HOH 123 523 521 HOH HOH A . 
C 3 HOH 124 524 525 HOH HOH A . 
C 3 HOH 125 525 524 HOH HOH A . 
C 3 HOH 126 526 526 HOH HOH A . 
C 3 HOH 127 527 514 HOH HOH A . 
C 3 HOH 128 528 528 HOH HOH A . 
C 3 HOH 129 529 527 HOH HOH A . 
C 3 HOH 130 530 532 HOH HOH A . 
C 3 HOH 131 531 534 HOH HOH A . 
C 3 HOH 132 532 531 HOH HOH A . 
C 3 HOH 133 533 535 HOH HOH A . 
C 3 HOH 134 534 529 HOH HOH A . 
C 3 HOH 135 535 533 HOH HOH A . 
C 3 HOH 136 536 536 HOH HOH A . 
C 3 HOH 137 537 537 HOH HOH A . 
C 3 HOH 138 538 539 HOH HOH A . 
C 3 HOH 139 539 538 HOH HOH A . 
C 3 HOH 140 540 541 HOH HOH A . 
C 3 HOH 141 541 540 HOH HOH A . 
C 3 HOH 142 542 542 HOH HOH A . 
C 3 HOH 143 543 543 HOH HOH A . 
C 3 HOH 144 544 544 HOH HOH A . 
C 3 HOH 145 545 545 HOH HOH A . 
C 3 HOH 146 546 546 HOH HOH A . 
C 3 HOH 147 547 548 HOH HOH A . 
C 3 HOH 148 548 549 HOH HOH A . 
C 3 HOH 149 549 551 HOH HOH A . 
C 3 HOH 150 550 553 HOH HOH A . 
C 3 HOH 151 551 550 HOH HOH A . 
C 3 HOH 152 552 552 HOH HOH A . 
C 3 HOH 153 553 555 HOH HOH A . 
C 3 HOH 154 554 554 HOH HOH A . 
C 3 HOH 155 555 547 HOH HOH A . 
C 3 HOH 156 556 556 HOH HOH A . 
C 3 HOH 157 557 558 HOH HOH A . 
C 3 HOH 158 558 557 HOH HOH A . 
C 3 HOH 159 559 559 HOH HOH A . 
C 3 HOH 160 560 560 HOH HOH A . 
C 3 HOH 161 561 561 HOH HOH A . 
C 3 HOH 162 562 562 HOH HOH A . 
C 3 HOH 163 563 564 HOH HOH A . 
C 3 HOH 164 564 563 HOH HOH A . 
C 3 HOH 165 565 565 HOH HOH A . 
C 3 HOH 166 566 566 HOH HOH A . 
C 3 HOH 167 567 567 HOH HOH A . 
C 3 HOH 168 568 568 HOH HOH A . 
C 3 HOH 169 569 569 HOH HOH A . 
C 3 HOH 170 570 570 HOH HOH A . 
C 3 HOH 171 571 571 HOH HOH A . 
C 3 HOH 172 572 572 HOH HOH A . 
C 3 HOH 173 573 573 HOH HOH A . 
C 3 HOH 174 574 574 HOH HOH A . 
C 3 HOH 175 575 578 HOH HOH A . 
C 3 HOH 176 576 576 HOH HOH A . 
C 3 HOH 177 577 575 HOH HOH A . 
C 3 HOH 178 578 577 HOH HOH A . 
C 3 HOH 179 579 579 HOH HOH A . 
C 3 HOH 180 580 580 HOH HOH A . 
C 3 HOH 181 581 581 HOH HOH A . 
C 3 HOH 182 582 582 HOH HOH A . 
C 3 HOH 183 583 583 HOH HOH A . 
C 3 HOH 184 584 584 HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0425 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? 10.2     2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? 10.2     3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9EQY 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     58.500 
_cell.length_a_esd                 ? 
_cell.length_b                     58.500 
_cell.length_b_esd                 ? 
_cell.length_c                     151.250 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_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                         9EQY 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                92 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 41 21 2' 
_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                   9EQY 
_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             2.91 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          57.75 
_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          'BATCH MODE' 
_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    
;100 mg of thaumatin (Sigma-T7638) was dissolved in 1 ml of MiniQ water, reaching a concentration of 100 mg/ml with solutions vortexed to ensure complete dissolution. Subsequently, 200 uL of the thaumatin solution was mixed with 200 ul of 1.6 M (Na, K, tartrate) crystallization solution
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     293 
_diffrn.ambient_temp_details             'room temperature' 
_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 8M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-09-05 
_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   1.0306 
_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                      'FREE ELECTRON LASER' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'SwissFEL ARAMIS BEAMLINE ESC' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.0306 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ESC 
_diffrn_source.pdbx_synchrotron_site       'SwissFEL ARAMIS' 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9EQY 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.37 
_reflns.d_resolution_low                               32 
_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                                     57471 
_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                                202.8 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          4.36 
_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                                   0.942 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   0.192 
_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                                    1.37 
_reflns_shell.d_res_low                                     1.40 
_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                             2785 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.360 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  0.97 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            0.333 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            0.333 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -0.666 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               20.530 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.950 
_refine.correlation_coeff_Fo_to_Fc_free          0.928 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9EQY 
_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                            1.370 
_refine.ls_d_res_low                             32.000 
_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                     57353 
_refine.ls_number_reflns_R_free                  2851 
_refine.ls_number_reflns_R_work                  54502 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.960 
_refine.ls_percent_reflns_R_free                 4.971 
_refine.ls_R_factor_all                          0.187 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2084 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1860 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.050 
_refine.pdbx_overall_ESU_R_Free                  0.052 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             0.945 
_refine.overall_SU_ML                            0.037 
_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                       1.370 
_refine_hist.d_res_low                        32.000 
_refine_hist.number_atoms_solvent             184 
_refine_hist.number_atoms_total               1739 
_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        1545 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         10 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.011  0.012  1664 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1486 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.783  1.809  2279 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.615  1.758  3453 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.737  5.000  227  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 8.186  5.000  13   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.044 10.000 256  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 16.022 10.000 71   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.093  0.200  244  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  2040 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  406  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.218  0.200  253  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.199  0.200  1312 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.189  0.200  822  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.088  0.200  912  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.267  0.200  111  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.017  0.200  1    ? r_symmetry_xyhbond_nbd_other   ? ? 
'X-RAY DIFFRACTION' ? 0.217  0.200  5    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.141  0.200  53   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.219  0.200  6    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.969  1.946  845  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.912  1.944  845  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.927  3.495  1060 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.948  3.497  1061 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.036  2.295  819  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.038  2.296  818  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.695  4.037  1208 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.695  4.037  1208 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.451  21.535 1827 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.243  20.081 1799 ? r_lrange_other                 ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.37  1.395  . . 205 3941 99.9759  . . . . 0.365 . . . . . . . . . . . 0.387 
'X-RAY DIFFRACTION' 1.395 1.433  . . 185 3862 100.0000 . . . . 0.332 . . . . . . . . . . . 0.342 
'X-RAY DIFFRACTION' 1.433 1.475  . . 190 3785 100.0000 . . . . 0.283 . . . . . . . . . . . 0.310 
'X-RAY DIFFRACTION' 1.475 1.520  . . 184 3610 100.0000 . . . . 0.243 . . . . . . . . . . . 0.273 
'X-RAY DIFFRACTION' 1.520 1.570  . . 185 3553 100.0000 . . . . 0.210 . . . . . . . . . . . 0.200 
'X-RAY DIFFRACTION' 1.570 1.625  . . 177 3478 100.0000 . . . . 0.193 . . . . . . . . . . . 0.212 
'X-RAY DIFFRACTION' 1.625 1.686  . . 182 3282 100.0000 . . . . 0.171 . . . . . . . . . . . 0.207 
'X-RAY DIFFRACTION' 1.686 1.755  . . 194 3169 100.0000 . . . . 0.157 . . . . . . . . . . . 0.193 
'X-RAY DIFFRACTION' 1.755 1.832  . . 165 3071 100.0000 . . . . 0.152 . . . . . . . . . . . 0.168 
'X-RAY DIFFRACTION' 1.832 1.922  . . 144 2960 100.0000 . . . . 0.153 . . . . . . . . . . . 0.184 
'X-RAY DIFFRACTION' 1.922 2.025  . . 149 2806 100.0000 . . . . 0.145 . . . . . . . . . . . 0.174 
'X-RAY DIFFRACTION' 2.025 2.147  . . 147 2661 100.0000 . . . . 0.148 . . . . . . . . . . . 0.150 
'X-RAY DIFFRACTION' 2.147 2.295  . . 113 2543 100.0000 . . . . 0.153 . . . . . . . . . . . 0.181 
'X-RAY DIFFRACTION' 2.295 2.478  . . 116 2358 100.0000 . . . . 0.142 . . . . . . . . . . . 0.161 
'X-RAY DIFFRACTION' 2.478 2.713  . . 126 2163 100.0000 . . . . 0.154 . . . . . . . . . . . 0.198 
'X-RAY DIFFRACTION' 2.713 3.030  . . 101 2004 100.0000 . . . . 0.166 . . . . . . . . . . . 0.177 
'X-RAY DIFFRACTION' 3.030 3.494  . . 98  1764 100.0000 . . . . 0.163 . . . . . . . . . . . 0.201 
'X-RAY DIFFRACTION' 3.494 4.266  . . 82  1527 100.0000 . . . . 0.168 . . . . . . . . . . . 0.152 
'X-RAY DIFFRACTION' 4.266 5.980  . . 60  1229 99.9225  . . . . 0.247 . . . . . . . . . . . 0.276 
'X-RAY DIFFRACTION' 5.980 32.000 . . 48  736  98.2456  . . . . 0.419 . . . . . . . . . . . 0.437 
# 
_struct.entry_id                     9EQY 
_struct.title                        '41fs pulse duration 100uJ pulse energy thaumatin' 
_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        9EQY 
_struct_keywords.text            'radiation damage, XFEL, pulse duration and intensity, disulphides, PLANT PROTEIN' 
_struct_keywords.pdbx_keywords   'PLANT PROTEIN' 
# 
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                    THM1_THADA 
_struct_ref.pdbx_db_accession          P02883 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;ATFEIVNRCSYTVWAAASKGDAALDAGGRQLNSGESWTINVEPGTNGGKIWARTDCYFDDSGSGICKTGDCGGLLRCKRF
GRPPTTLAEFSLNQYGKDYIDISNIKGFNVPMDFSPTTRGCRGVRCAADIVGQCPAKLKAPGGGCNDACTVFQTSEYCCT
TGKCGPTEYSRFFKRLCPDAFSYVLDKPTTVTCPGSSNYRVTFCPTA
;
_struct_ref.pdbx_align_begin           23 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9EQY 
_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                 207 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P02883 
_struct_ref_seq.db_align_beg                  23 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  229 
_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       207 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_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 ASP A 129 ? CYS A 134 ? ASP A 129 CYS A 134 1 ? 6  
HELX_P HELX_P2 AA2 PRO A 135 ? LYS A 139 ? PRO A 135 LYS A 139 5 ? 5  
HELX_P HELX_P3 AA3 ASP A 147 ? GLN A 153 ? ASP A 147 GLN A 153 1 ? 7  
HELX_P HELX_P4 AA4 THR A 154 ? CYS A 159 ? THR A 154 CYS A 159 1 ? 6  
HELX_P HELX_P5 AA5 THR A 167 ? CYS A 177 ? THR A 167 CYS A 177 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 9   SG ? ? ? 1_555 A CYS 204 SG ? ? A CYS 9   A CYS 204 1_555 ? ? ? ? ? ? ? 2.024 ? ? 
disulf2 disulf ? ? A CYS 56  SG ? ? ? 1_555 A CYS 66  SG ? ? A CYS 56  A CYS 66  1_555 ? ? ? ? ? ? ? 2.021 ? ? 
disulf3 disulf ? ? A CYS 71  SG ? ? ? 1_555 A CYS 77  SG ? ? A CYS 71  A CYS 77  1_555 ? ? ? ? ? ? ? 2.049 ? ? 
disulf4 disulf ? ? A CYS 121 SG ? ? ? 1_555 A CYS 193 SG ? ? A CYS 121 A CYS 193 1_555 ? ? ? ? ? ? ? 2.033 ? ? 
disulf5 disulf ? ? A CYS 126 SG ? ? ? 1_555 A CYS 177 SG ? ? A CYS 126 A CYS 177 1_555 ? ? ? ? ? ? ? 2.006 ? ? 
disulf6 disulf ? ? A CYS 134 SG ? ? ? 1_555 A CYS 145 SG ? ? A CYS 134 A CYS 145 1_555 ? ? ? ? ? ? ? 2.034 ? ? 
disulf7 disulf ? ? A CYS 149 SG ? ? ? 1_555 A CYS 158 SG ? ? A CYS 149 A CYS 158 1_555 ? ? ? ? ? ? ? 2.020 ? ? 
disulf8 disulf ? ? A CYS 159 SG A ? ? 1_555 A CYS 164 SG ? ? A CYS 159 A CYS 164 1_555 ? ? ? ? ? ? ? 2.033 ? ? 
disulf9 disulf ? ? A CYS 159 SG B ? ? 1_555 A CYS 164 SG ? ? A CYS 159 A CYS 164 1_555 ? ? ? ? ? ? ? 1.901 ? ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 9   ? CYS A 204 ? CYS A 9   ? 1_555 CYS A 204 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 56  ? CYS A 66  ? CYS A 56  ? 1_555 CYS A 66  ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 71  ? CYS A 77  ? CYS A 71  ? 1_555 CYS A 77  ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 121 ? CYS A 193 ? CYS A 121 ? 1_555 CYS A 193 ? 1_555 SG SG . . . None 'Disulfide bridge' 
5 CYS A 126 ? CYS A 177 ? CYS A 126 ? 1_555 CYS A 177 ? 1_555 SG SG . . . None 'Disulfide bridge' 
6 CYS A 134 ? CYS A 145 ? CYS A 134 ? 1_555 CYS A 145 ? 1_555 SG SG . . . None 'Disulfide bridge' 
7 CYS A 149 ? CYS A 158 ? CYS A 149 ? 1_555 CYS A 158 ? 1_555 SG SG . . . None 'Disulfide bridge' 
8 CYS A 159 A CYS A 164 ? CYS A 159 ? 1_555 CYS A 164 ? 1_555 SG SG . . . None 'Disulfide bridge' 
9 CYS A 159 B CYS A 164 ? CYS A 159 ? 1_555 CYS A 164 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          PRO 
_struct_mon_prot_cis.label_seq_id           83 
_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           PRO 
_struct_mon_prot_cis.auth_seq_id            83 
_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    84 
_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     84 
_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       6.72 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 5 ? 
AA2 ? 4 ? 
AA3 ? 6 ? 
# 
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 ? parallel      
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? anti-parallel 
AA3 5 6 ? 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 SER A 36  ? ASN A 40  ? SER A 36  ASN A 40  
AA1 2 THR A 2   ? ASN A 7   ? THR A 2   ASN A 7   
AA1 3 TYR A 199 ? PHE A 203 ? TYR A 199 PHE A 203 
AA1 4 MET A 112 ? PRO A 116 ? MET A 112 PRO A 116 
AA1 5 VAL A 124 ? CYS A 126 ? VAL A 124 CYS A 126 
AA2 1 ALA A 23  ? LEU A 31  ? ALA A 23  LEU A 31  
AA2 2 VAL A 13  ? SER A 18  ? VAL A 13  SER A 18  
AA2 3 GLY A 48  ? PHE A 58  ? GLY A 48  PHE A 58  
AA2 4 GLY A 64  ? THR A 68  ? GLY A 64  THR A 68  
AA3 1 ALA A 23  ? LEU A 31  ? ALA A 23  LEU A 31  
AA3 2 VAL A 13  ? SER A 18  ? VAL A 13  SER A 18  
AA3 3 GLY A 48  ? PHE A 58  ? GLY A 48  PHE A 58  
AA3 4 LEU A 87  ? GLN A 94  ? LEU A 87  GLN A 94  
AA3 5 LYS A 97  ? SER A 103 ? LYS A 97  SER A 103 
AA3 6 VAL A 191 ? PRO A 194 ? VAL A 191 PRO A 194 
# 
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 O TRP A 37  ? O TRP A 37  N ILE A 5   ? N ILE A 5   
AA1 2 3 N VAL A 6   ? N VAL A 6   O VAL A 201 ? O VAL A 201 
AA1 3 4 O ARG A 200 ? O ARG A 200 N SER A 115 ? N SER A 115 
AA1 4 5 N PHE A 114 ? N PHE A 114 O VAL A 124 ? O VAL A 124 
AA2 1 2 O LEU A 31  ? O LEU A 31  N VAL A 13  ? N VAL A 13  
AA2 2 3 N TRP A 14  ? N TRP A 14  O ARG A 53  ? O ARG A 53  
AA2 3 4 N TYR A 57  ? N TYR A 57  O ILE A 65  ? O ILE A 65  
AA3 1 2 O LEU A 31  ? O LEU A 31  N VAL A 13  ? N VAL A 13  
AA3 2 3 N TRP A 14  ? N TRP A 14  O ARG A 53  ? O ARG A 53  
AA3 3 4 N ILE A 50  ? N ILE A 50  O ALA A 88  ? O ALA A 88  
AA3 4 5 N GLN A 94  ? N GLN A 94  O LYS A 97  ? O LYS A 97  
AA3 5 6 N ILE A 100 ? N ILE A 100 O VAL A 191 ? O VAL A 191 
# 
_pdbx_entry_details.entry_id                   9EQY 
_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     N 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O   A HOH 417 ? ? O A HOH 557 ? ? 2.02 
2 1 O   A HOH 519 ? ? O A HOH 528 ? ? 2.03 
3 1 OE2 A GLU 168 ? A O A HOH 401 ? ? 2.10 
4 1 O   A HOH 472 ? ? O A HOH 514 ? ? 2.14 
5 1 O   A HOH 485 ? ? O A HOH 496 ? ? 2.14 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASP A 25  ? ? 56.60   -137.13 
2 1 CYS A 71  ? ? -114.89 67.38   
3 1 SER A 196 ? ? 70.51   30.61   
# 
_pdbx_unobs_or_zero_occ_residues.id               1 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num    1 
_pdbx_unobs_or_zero_occ_residues.polymer_flag     Y 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag   1 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id     A 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id     ALA 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id      207 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code     ? 
_pdbx_unobs_or_zero_occ_residues.label_asym_id    A 
_pdbx_unobs_or_zero_occ_residues.label_comp_id    ALA 
_pdbx_unobs_or_zero_occ_residues.label_seq_id     207 
# 
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  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HOH O    O N N 137 
HOH H1   H N N 138 
HOH H2   H N N 139 
ILE N    N N N 140 
ILE CA   C N S 141 
ILE C    C N N 142 
ILE O    O N N 143 
ILE CB   C N S 144 
ILE CG1  C N N 145 
ILE CG2  C N N 146 
ILE CD1  C N N 147 
ILE OXT  O N N 148 
ILE H    H N N 149 
ILE H2   H N N 150 
ILE HA   H N N 151 
ILE HB   H N N 152 
ILE HG12 H N N 153 
ILE HG13 H N N 154 
ILE HG21 H N N 155 
ILE HG22 H N N 156 
ILE HG23 H N N 157 
ILE HD11 H N N 158 
ILE HD12 H N N 159 
ILE HD13 H N N 160 
ILE HXT  H N N 161 
LEU N    N N N 162 
LEU CA   C N S 163 
LEU C    C N N 164 
LEU O    O N N 165 
LEU CB   C N N 166 
LEU CG   C N N 167 
LEU CD1  C N N 168 
LEU CD2  C N N 169 
LEU OXT  O N N 170 
LEU H    H N N 171 
LEU H2   H N N 172 
LEU HA   H N N 173 
LEU HB2  H N N 174 
LEU HB3  H N N 175 
LEU HG   H N N 176 
LEU HD11 H N N 177 
LEU HD12 H N N 178 
LEU HD13 H N N 179 
LEU HD21 H N N 180 
LEU HD22 H N N 181 
LEU HD23 H N N 182 
LEU HXT  H N N 183 
LYS N    N N N 184 
LYS CA   C N S 185 
LYS C    C N N 186 
LYS O    O N N 187 
LYS CB   C N N 188 
LYS CG   C N N 189 
LYS CD   C N N 190 
LYS CE   C N N 191 
LYS NZ   N N N 192 
LYS OXT  O N N 193 
LYS H    H N N 194 
LYS H2   H N N 195 
LYS HA   H N N 196 
LYS HB2  H N N 197 
LYS HB3  H N N 198 
LYS HG2  H N N 199 
LYS HG3  H N N 200 
LYS HD2  H N N 201 
LYS HD3  H N N 202 
LYS HE2  H N N 203 
LYS HE3  H N N 204 
LYS HZ1  H N N 205 
LYS HZ2  H N N 206 
LYS HZ3  H N N 207 
LYS HXT  H N N 208 
MET N    N N N 209 
MET CA   C N S 210 
MET C    C N N 211 
MET O    O N N 212 
MET CB   C N N 213 
MET CG   C N N 214 
MET SD   S N N 215 
MET CE   C N N 216 
MET OXT  O N N 217 
MET H    H N N 218 
MET H2   H N N 219 
MET HA   H N N 220 
MET HB2  H N N 221 
MET HB3  H N N 222 
MET HG2  H N N 223 
MET HG3  H N N 224 
MET HE1  H N N 225 
MET HE2  H N N 226 
MET HE3  H N N 227 
MET HXT  H N N 228 
PHE N    N N N 229 
PHE CA   C N S 230 
PHE C    C N N 231 
PHE O    O N N 232 
PHE CB   C N N 233 
PHE CG   C Y N 234 
PHE CD1  C Y N 235 
PHE CD2  C Y N 236 
PHE CE1  C Y N 237 
PHE CE2  C Y N 238 
PHE CZ   C Y N 239 
PHE OXT  O N N 240 
PHE H    H N N 241 
PHE H2   H N N 242 
PHE HA   H N N 243 
PHE HB2  H N N 244 
PHE HB3  H N N 245 
PHE HD1  H N N 246 
PHE HD2  H N N 247 
PHE HE1  H N N 248 
PHE HE2  H N N 249 
PHE HZ   H N N 250 
PHE HXT  H N N 251 
PRO N    N N N 252 
PRO CA   C N S 253 
PRO C    C N N 254 
PRO O    O N N 255 
PRO CB   C N N 256 
PRO CG   C N N 257 
PRO CD   C N N 258 
PRO OXT  O N N 259 
PRO H    H N N 260 
PRO HA   H N N 261 
PRO HB2  H N N 262 
PRO HB3  H N N 263 
PRO HG2  H N N 264 
PRO HG3  H N N 265 
PRO HD2  H N N 266 
PRO HD3  H N N 267 
PRO HXT  H N N 268 
SER N    N N N 269 
SER CA   C N S 270 
SER C    C N N 271 
SER O    O N N 272 
SER CB   C N N 273 
SER OG   O N N 274 
SER OXT  O N N 275 
SER H    H N N 276 
SER H2   H N N 277 
SER HA   H N N 278 
SER HB2  H N N 279 
SER HB3  H N N 280 
SER HG   H N N 281 
SER HXT  H N N 282 
THR N    N N N 283 
THR CA   C N S 284 
THR C    C N N 285 
THR O    O N N 286 
THR CB   C N R 287 
THR OG1  O N N 288 
THR CG2  C N N 289 
THR OXT  O N N 290 
THR H    H N N 291 
THR H2   H N N 292 
THR HA   H N N 293 
THR HB   H N N 294 
THR HG1  H N N 295 
THR HG21 H N N 296 
THR HG22 H N N 297 
THR HG23 H N N 298 
THR HXT  H N N 299 
TLA O1   O N N 300 
TLA O11  O N N 301 
TLA C1   C N N 302 
TLA C2   C N R 303 
TLA O2   O N N 304 
TLA C3   C N R 305 
TLA O3   O N N 306 
TLA C4   C N N 307 
TLA O4   O N N 308 
TLA O41  O N N 309 
TLA H11  H N N 310 
TLA H2   H N N 311 
TLA HA   H N N 312 
TLA H3   H N N 313 
TLA HB   H N N 314 
TLA H41  H N N 315 
TRP N    N N N 316 
TRP CA   C N S 317 
TRP C    C N N 318 
TRP O    O N N 319 
TRP CB   C N N 320 
TRP CG   C Y N 321 
TRP CD1  C Y N 322 
TRP CD2  C Y N 323 
TRP NE1  N Y N 324 
TRP CE2  C Y N 325 
TRP CE3  C Y N 326 
TRP CZ2  C Y N 327 
TRP CZ3  C Y N 328 
TRP CH2  C Y N 329 
TRP OXT  O N N 330 
TRP H    H N N 331 
TRP H2   H N N 332 
TRP HA   H N N 333 
TRP HB2  H N N 334 
TRP HB3  H N N 335 
TRP HD1  H N N 336 
TRP HE1  H N N 337 
TRP HE3  H N N 338 
TRP HZ2  H N N 339 
TRP HZ3  H N N 340 
TRP HH2  H N N 341 
TRP HXT  H N N 342 
TYR N    N N N 343 
TYR CA   C N S 344 
TYR C    C N N 345 
TYR O    O N N 346 
TYR CB   C N N 347 
TYR CG   C Y N 348 
TYR CD1  C Y N 349 
TYR CD2  C Y N 350 
TYR CE1  C Y N 351 
TYR CE2  C Y N 352 
TYR CZ   C Y N 353 
TYR OH   O N N 354 
TYR OXT  O N N 355 
TYR H    H N N 356 
TYR H2   H N N 357 
TYR HA   H N N 358 
TYR HB2  H N N 359 
TYR HB3  H N N 360 
TYR HD1  H N N 361 
TYR HD2  H N N 362 
TYR HE1  H N N 363 
TYR HE2  H N N 364 
TYR HH   H N N 365 
TYR HXT  H N N 366 
VAL N    N N N 367 
VAL CA   C N S 368 
VAL C    C N N 369 
VAL O    O N N 370 
VAL CB   C N N 371 
VAL CG1  C N N 372 
VAL CG2  C N N 373 
VAL OXT  O N N 374 
VAL H    H N N 375 
VAL H2   H N N 376 
VAL HA   H N N 377 
VAL HB   H N N 378 
VAL HG11 H N N 379 
VAL HG12 H N N 380 
VAL HG13 H N N 381 
VAL HG21 H N N 382 
VAL HG22 H N N 383 
VAL HG23 H N N 384 
VAL HXT  H N N 385 
# 
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  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HOH O   H1   sing N N 129 
HOH O   H2   sing N N 130 
ILE N   CA   sing N N 131 
ILE N   H    sing N N 132 
ILE N   H2   sing N N 133 
ILE CA  C    sing N N 134 
ILE CA  CB   sing N N 135 
ILE CA  HA   sing N N 136 
ILE C   O    doub N N 137 
ILE C   OXT  sing N N 138 
ILE CB  CG1  sing N N 139 
ILE CB  CG2  sing N N 140 
ILE CB  HB   sing N N 141 
ILE CG1 CD1  sing N N 142 
ILE CG1 HG12 sing N N 143 
ILE CG1 HG13 sing N N 144 
ILE CG2 HG21 sing N N 145 
ILE CG2 HG22 sing N N 146 
ILE CG2 HG23 sing N N 147 
ILE CD1 HD11 sing N N 148 
ILE CD1 HD12 sing N N 149 
ILE CD1 HD13 sing N N 150 
ILE OXT HXT  sing N N 151 
LEU N   CA   sing N N 152 
LEU N   H    sing N N 153 
LEU N   H2   sing N N 154 
LEU CA  C    sing N N 155 
LEU CA  CB   sing N N 156 
LEU CA  HA   sing N N 157 
LEU C   O    doub N N 158 
LEU C   OXT  sing N N 159 
LEU CB  CG   sing N N 160 
LEU CB  HB2  sing N N 161 
LEU CB  HB3  sing N N 162 
LEU CG  CD1  sing N N 163 
LEU CG  CD2  sing N N 164 
LEU CG  HG   sing N N 165 
LEU CD1 HD11 sing N N 166 
LEU CD1 HD12 sing N N 167 
LEU CD1 HD13 sing N N 168 
LEU CD2 HD21 sing N N 169 
LEU CD2 HD22 sing N N 170 
LEU CD2 HD23 sing N N 171 
LEU OXT HXT  sing N N 172 
LYS N   CA   sing N N 173 
LYS N   H    sing N N 174 
LYS N   H2   sing N N 175 
LYS CA  C    sing N N 176 
LYS CA  CB   sing N N 177 
LYS CA  HA   sing N N 178 
LYS C   O    doub N N 179 
LYS C   OXT  sing N N 180 
LYS CB  CG   sing N N 181 
LYS CB  HB2  sing N N 182 
LYS CB  HB3  sing N N 183 
LYS CG  CD   sing N N 184 
LYS CG  HG2  sing N N 185 
LYS CG  HG3  sing N N 186 
LYS CD  CE   sing N N 187 
LYS CD  HD2  sing N N 188 
LYS CD  HD3  sing N N 189 
LYS CE  NZ   sing N N 190 
LYS CE  HE2  sing N N 191 
LYS CE  HE3  sing N N 192 
LYS NZ  HZ1  sing N N 193 
LYS NZ  HZ2  sing N N 194 
LYS NZ  HZ3  sing N N 195 
LYS OXT HXT  sing N N 196 
MET N   CA   sing N N 197 
MET N   H    sing N N 198 
MET N   H2   sing N N 199 
MET CA  C    sing N N 200 
MET CA  CB   sing N N 201 
MET CA  HA   sing N N 202 
MET C   O    doub N N 203 
MET C   OXT  sing N N 204 
MET CB  CG   sing N N 205 
MET CB  HB2  sing N N 206 
MET CB  HB3  sing N N 207 
MET CG  SD   sing N N 208 
MET CG  HG2  sing N N 209 
MET CG  HG3  sing N N 210 
MET SD  CE   sing N N 211 
MET CE  HE1  sing N N 212 
MET CE  HE2  sing N N 213 
MET CE  HE3  sing N N 214 
MET OXT HXT  sing N N 215 
PHE N   CA   sing N N 216 
PHE N   H    sing N N 217 
PHE N   H2   sing N N 218 
PHE CA  C    sing N N 219 
PHE CA  CB   sing N N 220 
PHE CA  HA   sing N N 221 
PHE C   O    doub N N 222 
PHE C   OXT  sing N N 223 
PHE CB  CG   sing N N 224 
PHE CB  HB2  sing N N 225 
PHE CB  HB3  sing N N 226 
PHE CG  CD1  doub Y N 227 
PHE CG  CD2  sing Y N 228 
PHE CD1 CE1  sing Y N 229 
PHE CD1 HD1  sing N N 230 
PHE CD2 CE2  doub Y N 231 
PHE CD2 HD2  sing N N 232 
PHE CE1 CZ   doub Y N 233 
PHE CE1 HE1  sing N N 234 
PHE CE2 CZ   sing Y N 235 
PHE CE2 HE2  sing N N 236 
PHE CZ  HZ   sing N N 237 
PHE OXT HXT  sing N N 238 
PRO N   CA   sing N N 239 
PRO N   CD   sing N N 240 
PRO N   H    sing N N 241 
PRO CA  C    sing N N 242 
PRO CA  CB   sing N N 243 
PRO CA  HA   sing N N 244 
PRO C   O    doub N N 245 
PRO C   OXT  sing N N 246 
PRO CB  CG   sing N N 247 
PRO CB  HB2  sing N N 248 
PRO CB  HB3  sing N N 249 
PRO CG  CD   sing N N 250 
PRO CG  HG2  sing N N 251 
PRO CG  HG3  sing N N 252 
PRO CD  HD2  sing N N 253 
PRO CD  HD3  sing N N 254 
PRO OXT HXT  sing N N 255 
SER N   CA   sing N N 256 
SER N   H    sing N N 257 
SER N   H2   sing N N 258 
SER CA  C    sing N N 259 
SER CA  CB   sing N N 260 
SER CA  HA   sing N N 261 
SER C   O    doub N N 262 
SER C   OXT  sing N N 263 
SER CB  OG   sing N N 264 
SER CB  HB2  sing N N 265 
SER CB  HB3  sing N N 266 
SER OG  HG   sing N N 267 
SER OXT HXT  sing N N 268 
THR N   CA   sing N N 269 
THR N   H    sing N N 270 
THR N   H2   sing N N 271 
THR CA  C    sing N N 272 
THR CA  CB   sing N N 273 
THR CA  HA   sing N N 274 
THR C   O    doub N N 275 
THR C   OXT  sing N N 276 
THR CB  OG1  sing N N 277 
THR CB  CG2  sing N N 278 
THR CB  HB   sing N N 279 
THR OG1 HG1  sing N N 280 
THR CG2 HG21 sing N N 281 
THR CG2 HG22 sing N N 282 
THR CG2 HG23 sing N N 283 
THR OXT HXT  sing N N 284 
TLA O1  C1   doub N N 285 
TLA O11 C1   sing N N 286 
TLA O11 H11  sing N N 287 
TLA C1  C2   sing N N 288 
TLA C2  O2   sing N N 289 
TLA C2  C3   sing N N 290 
TLA C2  H2   sing N N 291 
TLA O2  HA   sing N N 292 
TLA C3  O3   sing N N 293 
TLA C3  C4   sing N N 294 
TLA C3  H3   sing N N 295 
TLA O3  HB   sing N N 296 
TLA C4  O4   doub N N 297 
TLA C4  O41  sing N N 298 
TLA O41 H41  sing N N 299 
TRP N   CA   sing N N 300 
TRP N   H    sing N N 301 
TRP N   H2   sing N N 302 
TRP CA  C    sing N N 303 
TRP CA  CB   sing N N 304 
TRP CA  HA   sing N N 305 
TRP C   O    doub N N 306 
TRP C   OXT  sing N N 307 
TRP CB  CG   sing N N 308 
TRP CB  HB2  sing N N 309 
TRP CB  HB3  sing N N 310 
TRP CG  CD1  doub Y N 311 
TRP CG  CD2  sing Y N 312 
TRP CD1 NE1  sing Y N 313 
TRP CD1 HD1  sing N N 314 
TRP CD2 CE2  doub Y N 315 
TRP CD2 CE3  sing Y N 316 
TRP NE1 CE2  sing Y N 317 
TRP NE1 HE1  sing N N 318 
TRP CE2 CZ2  sing Y N 319 
TRP CE3 CZ3  doub Y N 320 
TRP CE3 HE3  sing N N 321 
TRP CZ2 CH2  doub Y N 322 
TRP CZ2 HZ2  sing N N 323 
TRP CZ3 CH2  sing Y N 324 
TRP CZ3 HZ3  sing N N 325 
TRP CH2 HH2  sing N N 326 
TRP OXT HXT  sing N N 327 
TYR N   CA   sing N N 328 
TYR N   H    sing N N 329 
TYR N   H2   sing N N 330 
TYR CA  C    sing N N 331 
TYR CA  CB   sing N N 332 
TYR CA  HA   sing N N 333 
TYR C   O    doub N N 334 
TYR C   OXT  sing N N 335 
TYR CB  CG   sing N N 336 
TYR CB  HB2  sing N N 337 
TYR CB  HB3  sing N N 338 
TYR CG  CD1  doub Y N 339 
TYR CG  CD2  sing Y N 340 
TYR CD1 CE1  sing Y N 341 
TYR CD1 HD1  sing N N 342 
TYR CD2 CE2  doub Y N 343 
TYR CD2 HD2  sing N N 344 
TYR CE1 CZ   doub Y N 345 
TYR CE1 HE1  sing N N 346 
TYR CE2 CZ   sing Y N 347 
TYR CE2 HE2  sing N N 348 
TYR CZ  OH   sing N N 349 
TYR OH  HH   sing N N 350 
TYR OXT HXT  sing N N 351 
VAL N   CA   sing N N 352 
VAL N   H    sing N N 353 
VAL N   H2   sing N N 354 
VAL CA  C    sing N N 355 
VAL CA  CB   sing N N 356 
VAL CA  HA   sing N N 357 
VAL C   O    doub N N 358 
VAL C   OXT  sing N N 359 
VAL CB  CG1  sing N N 360 
VAL CB  CG2  sing N N 361 
VAL CB  HB   sing N N 362 
VAL CG1 HG11 sing N N 363 
VAL CG1 HG12 sing N N 364 
VAL CG1 HG13 sing N N 365 
VAL CG2 HG21 sing N N 366 
VAL CG2 HG22 sing N N 367 
VAL CG2 HG23 sing N N 368 
VAL OXT HXT  sing N N 369 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   4AXR 
_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          ? 
_pdbx_serial_crystallography_data_reduction.droplet_hits          ? 
_pdbx_serial_crystallography_data_reduction.frames_failed_index   ? 
_pdbx_serial_crystallography_data_reduction.frames_indexed        14706 
_pdbx_serial_crystallography_data_reduction.lattices_indexed      ? 
_pdbx_serial_crystallography_data_reduction.xfel_run_numbers      ? 
_pdbx_serial_crystallography_data_reduction.lattices_merged       ? 
# 
_pdbx_serial_crystallography_measurement.diffrn_id                    1 
_pdbx_serial_crystallography_measurement.pulse_energy                 100 
_pdbx_serial_crystallography_measurement.pulse_duration               41 
_pdbx_serial_crystallography_measurement.xfel_pulse_repetition_rate   100 
_pdbx_serial_crystallography_measurement.pulse_photon_energy          12.03 
_pdbx_serial_crystallography_measurement.photons_per_pulse            ? 
_pdbx_serial_crystallography_measurement.source_size                  ? 
_pdbx_serial_crystallography_measurement.source_distance              ? 
_pdbx_serial_crystallography_measurement.focal_spot_size              7.98 
_pdbx_serial_crystallography_measurement.collimation                  ? 
_pdbx_serial_crystallography_measurement.collection_time_total        ? 
# 
_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                     ? 
_pdbx_serial_crystallography_sample_delivery_fixed_target.sample_holding                  'polymer fixed target' 
_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   'thin film' 
_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                    9EQY 
_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]   0.017094 
_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]   0.017094 
_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]   0.006612 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156   
H 1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030   
N 7  7  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379 
O 8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671 32.9089 0.2508   
S 16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 0.8669   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
ATOM   1    N N   . ALA A 1 1   ? 21.816  -10.995 -9.827  1.000 29.740 0 1   ALA A N   1 ? 
ATOM   2    C CA  . ALA A 1 1   ? 21.432  -12.421 -10.005 1.000 26.420 0 1   ALA A CA  1 ? 
ATOM   3    C C   . ALA A 1 1   ? 20.438  -12.440 -11.142 1.000 22.750 0 1   ALA A C   1 ? 
ATOM   4    O O   . ALA A 1 1   ? 19.691  -11.489 -11.339 1.000 24.990 0 1   ALA A O   1 ? 
ATOM   5    C CB  . ALA A 1 1   ? 20.799  -12.992 -8.777  1.000 27.250 0 1   ALA A CB  1 ? 
ATOM   6    N N   . THR A 1 2   ? 20.472  -13.540 -11.871 1.000 20.507 0 2   THR A N   1 ? 
ATOM   7    C CA  A THR A 1 2   ? 19.540  -13.710 -12.964 0.340 19.637 0 2   THR A CA  1 ? 
ATOM   8    C CA  B THR A 1 2   ? 19.593  -13.779 -12.999 0.660 20.616 0 2   THR A CA  1 ? 
ATOM   9    C C   . THR A 1 2   ? 18.487  -14.733 -12.551 1.000 18.502 0 2   THR A C   1 ? 
ATOM   10   O O   . THR A 1 2   ? 18.778  -15.753 -11.961 1.000 20.640 0 2   THR A O   1 ? 
ATOM   11   C CB  A THR A 1 2   ? 20.273  -14.103 -14.242 0.340 21.504 0 2   THR A CB  1 ? 
ATOM   12   C CB  B THR A 1 2   ? 20.407  -14.394 -14.145 0.660 24.611 0 2   THR A CB  1 ? 
ATOM   13   O OG1 A THR A 1 2   ? 20.603  -15.477 -14.151 0.340 19.457 0 2   THR A OG1 1 ? 
ATOM   14   O OG1 B THR A 1 2   ? 21.244  -13.350 -14.643 0.660 30.658 0 2   THR A OG1 1 ? 
ATOM   15   C CG2 A THR A 1 2   ? 21.583  -13.353 -14.399 0.340 22.186 0 2   THR A CG2 1 ? 
ATOM   16   C CG2 B THR A 1 2   ? 19.559  -14.824 -15.328 0.660 26.473 0 2   THR A CG2 1 ? 
ATOM   17   N N   . PHE A 1 3   ? 17.251  -14.370 -12.873 1.000 18.378 0 3   PHE A N   1 ? 
ATOM   18   C CA  . PHE A 1 3   ? 16.116  -15.263 -12.678 1.000 17.388 0 3   PHE A CA  1 ? 
ATOM   19   C C   . PHE A 1 3   ? 15.491  -15.472 -14.060 1.000 17.494 0 3   PHE A C   1 ? 
ATOM   20   O O   . PHE A 1 3   ? 15.110  -14.496 -14.690 1.000 20.739 0 3   PHE A O   1 ? 
ATOM   21   C CB  . PHE A 1 3   ? 15.034  -14.688 -11.775 1.000 18.800 0 3   PHE A CB  1 ? 
ATOM   22   C CG  . PHE A 1 3   ? 15.378  -14.669 -10.300 1.000 19.258 0 3   PHE A CG  1 ? 
ATOM   23   C CD1 . PHE A 1 3   ? 16.396  -13.819 -9.835  1.000 22.206 0 3   PHE A CD1 1 ? 
ATOM   24   C CD2 . PHE A 1 3   ? 14.704  -15.469 -9.406  1.000 21.835 0 3   PHE A CD2 1 ? 
ATOM   25   C CE1 . PHE A 1 3   ? 16.729  -13.804 -8.499  1.000 22.826 0 3   PHE A CE1 1 ? 
ATOM   26   C CE2 . PHE A 1 3   ? 15.046  -15.425 -8.073  1.000 21.912 0 3   PHE A CE2 1 ? 
ATOM   27   C CZ  . PHE A 1 3   ? 16.020  -14.564 -7.636  1.000 20.045 0 3   PHE A CZ  1 ? 
ATOM   28   N N   . GLU A 1 4   ? 15.339  -16.718 -14.449 1.000 15.780 0 4   GLU A N   1 ? 
ATOM   29   C CA  . GLU A 1 4   ? 14.538  -17.038 -15.621 1.000 15.597 0 4   GLU A CA  1 ? 
ATOM   30   C C   . GLU A 1 4   ? 13.165  -17.522 -15.147 1.000 15.470 0 4   GLU A C   1 ? 
ATOM   31   O O   . GLU A 1 4   ? 13.102  -18.443 -14.331 1.000 17.574 0 4   GLU A O   1 ? 
ATOM   32   C CB  . GLU A 1 4   ? 15.211  -18.125 -16.454 1.000 16.848 0 4   GLU A CB  1 ? 
ATOM   33   C CG  . GLU A 1 4   ? 14.538  -18.266 -17.818 1.000 18.548 0 4   GLU A CG  1 ? 
ATOM   34   C CD  . GLU A 1 4   ? 15.061  -19.322 -18.749 1.000 23.298 0 4   GLU A CD  1 ? 
ATOM   35   O OE1 . GLU A 1 4   ? 15.203  -20.436 -18.360 1.000 22.578 0 4   GLU A OE1 1 ? 
ATOM   36   O OE2 . GLU A 1 4   ? 15.350  -18.935 -19.895 1.000 26.096 0 4   GLU A OE2 1 ? 
ATOM   37   N N   . ILE A 1 5   ? 12.157  -16.845 -15.658 1.000 14.430 0 5   ILE A N   1 ? 
ATOM   38   C CA  . ILE A 1 5   ? 10.779  -17.102 -15.266 1.000 14.779 0 5   ILE A CA  1 ? 
ATOM   39   C C   . ILE A 1 5   ? 10.115  -17.754 -16.474 1.000 14.075 0 5   ILE A C   1 ? 
ATOM   40   O O   . ILE A 1 5   ? 10.055  -17.139 -17.538 1.000 15.662 0 5   ILE A O   1 ? 
ATOM   41   C CB  . ILE A 1 5   ? 10.064  -15.831 -14.824 1.000 15.371 0 5   ILE A CB  1 ? 
ATOM   42   C CG1 . ILE A 1 5   ? 10.810  -15.182 -13.646 1.000 18.750 0 5   ILE A CG1 1 ? 
ATOM   43   C CG2 . ILE A 1 5   ? 8.617   -16.192 -14.467 1.000 16.516 0 5   ILE A CG2 1 ? 
ATOM   44   C CD1 . ILE A 1 5   ? 10.399  -13.768 -13.335 1.000 23.112 0 5   ILE A CD1 1 ? 
ATOM   45   N N   . VAL A 1 6   ? 9.673   -18.986 -16.316 1.000 13.960 0 6   VAL A N   1 ? 
ATOM   46   C CA  . VAL A 1 6   ? 9.157   -19.805 -17.399 1.000 14.599 0 6   VAL A CA  1 ? 
ATOM   47   C C   . VAL A 1 6   ? 7.690   -20.175 -17.170 1.000 13.861 0 6   VAL A C   1 ? 
ATOM   48   O O   . VAL A 1 6   ? 7.363   -20.677 -16.099 1.000 15.570 0 6   VAL A O   1 ? 
ATOM   49   C CB  . VAL A 1 6   ? 9.985   -21.066 -17.542 1.000 15.370 0 6   VAL A CB  1 ? 
ATOM   50   C CG1 . VAL A 1 6   ? 9.432   -21.927 -18.698 1.000 17.045 0 6   VAL A CG1 1 ? 
ATOM   51   C CG2 . VAL A 1 6   ? 11.440  -20.686 -17.767 1.000 17.575 0 6   VAL A CG2 1 ? 
ATOM   52   N N   . ASN A 1 7   ? 6.837   -19.920 -18.133 1.000 12.884 0 7   ASN A N   1 ? 
ATOM   53   C CA  . ASN A 1 7   ? 5.453   -20.339 -18.016 1.000 13.375 0 7   ASN A CA  1 ? 
ATOM   54   C C   . ASN A 1 7   ? 5.257   -21.650 -18.769 1.000 13.424 0 7   ASN A C   1 ? 
ATOM   55   O O   . ASN A 1 7   ? 5.167   -21.620 -19.993 1.000 15.495 0 7   ASN A O   1 ? 
ATOM   56   C CB  . ASN A 1 7   ? 4.518   -19.279 -18.579 1.000 14.320 0 7   ASN A CB  1 ? 
ATOM   57   C CG  . ASN A 1 7   ? 3.064   -19.691 -18.415 1.000 14.661 0 7   ASN A CG  1 ? 
ATOM   58   O OD1 . ASN A 1 7   ? 2.797   -20.583 -17.594 1.000 14.797 0 7   ASN A OD1 1 ? 
ATOM   59   N ND2 . ASN A 1 7   ? 2.185   -19.105 -19.215 1.000 14.862 0 7   ASN A ND2 1 ? 
ATOM   60   N N   . ARG A 1 8   ? 5.193   -22.776 -18.086 1.000 13.352 0 8   ARG A N   1 ? 
ATOM   61   C CA  . ARG A 1 8   ? 4.853   -24.072 -18.663 1.000 13.264 0 8   ARG A CA  1 ? 
ATOM   62   C C   . ARG A 1 8   ? 3.358   -24.371 -18.579 1.000 14.999 0 8   ARG A C   1 ? 
ATOM   63   O O   . ARG A 1 8   ? 2.909   -25.429 -19.041 1.000 16.180 0 8   ARG A O   1 ? 
ATOM   64   C CB  . ARG A 1 8   ? 5.728   -25.138 -18.039 1.000 14.728 0 8   ARG A CB  1 ? 
ATOM   65   C CG  . ARG A 1 8   ? 5.698   -26.516 -18.675 1.000 15.801 0 8   ARG A CG  1 ? 
ATOM   66   C CD  . ARG A 1 8   ? 6.637   -27.495 -18.055 1.000 17.408 0 8   ARG A CD  1 ? 
ATOM   67   N NE  . ARG A 1 8   ? 8.012   -27.073 -18.317 1.000 17.388 0 8   ARG A NE  1 ? 
ATOM   68   C CZ  . ARG A 1 8   ? 9.041   -27.394 -17.567 1.000 21.089 0 8   ARG A CZ  1 ? 
ATOM   69   N NH1 . ARG A 1 8   ? 8.882   -28.150 -16.449 1.000 20.796 0 8   ARG A NH1 1 ? 
ATOM   70   N NH2 . ARG A 1 8   ? 10.234  -26.892 -17.834 1.000 21.777 0 8   ARG A NH2 1 ? 
ATOM   71   N N   . CYS A 1 9   ? 2.571   -23.445 -18.045 1.000 13.717 0 9   CYS A N   1 ? 
ATOM   72   C CA  . CYS A 1 9   ? 1.131   -23.647 -18.014 1.000 14.360 0 9   CYS A CA  1 ? 
ATOM   73   C C   . CYS A 1 9   ? 0.588   -23.595 -19.424 1.000 16.148 0 9   CYS A C   1 ? 
ATOM   74   O O   . CYS A 1 9   ? 1.135   -22.910 -20.273 1.000 16.064 0 9   CYS A O   1 ? 
ATOM   75   C CB  . CYS A 1 9   ? 0.452   -22.575 -17.159 1.000 14.394 0 9   CYS A CB  1 ? 
ATOM   76   S SG  . CYS A 1 9   ? 1.108   -22.405 -15.473 1.000 15.160 0 9   CYS A SG  1 ? 
ATOM   77   N N   . SER A 1 10  ? -0.599  -24.151 -19.592 1.000 16.843 0 10  SER A N   1 ? 
ATOM   78   C CA  A SER A 1 10  ? -1.288  -24.122 -20.875 0.770 18.511 0 10  SER A CA  1 ? 
ATOM   79   C CA  B SER A 1 10  ? -1.303  -24.132 -20.868 0.230 18.154 0 10  SER A CA  1 ? 
ATOM   80   C C   . SER A 1 10  ? -2.008  -22.800 -21.111 1.000 20.302 0 10  SER A C   1 ? 
ATOM   81   O O   . SER A 1 10  ? -2.513  -22.558 -22.207 1.000 25.650 0 10  SER A O   1 ? 
ATOM   82   C CB  A SER A 1 10  ? -2.251  -25.314 -20.983 0.770 22.138 0 10  SER A CB  1 ? 
ATOM   83   C CB  B SER A 1 10  ? -2.322  -25.241 -20.935 0.230 18.631 0 10  SER A CB  1 ? 
ATOM   84   O OG  A SER A 1 10  ? -3.160  -25.343 -19.884 0.770 24.591 0 10  SER A OG  1 ? 
ATOM   85   O OG  B SER A 1 10  ? -3.499  -24.844 -20.239 0.230 17.718 0 10  SER A OG  1 ? 
ATOM   86   N N   . TYR A 1 11  ? -2.099  -21.954 -20.092 1.000 17.180 0 11  TYR A N   1 ? 
ATOM   87   C CA  . TYR A 1 11  ? -2.758  -20.677 -20.124 1.000 17.768 0 11  TYR A CA  1 ? 
ATOM   88   C C   . TYR A 1 11  ? -1.724  -19.570 -19.894 1.000 16.225 0 11  TYR A C   1 ? 
ATOM   89   O O   . TYR A 1 11  ? -0.642  -19.835 -19.345 1.000 17.332 0 11  TYR A O   1 ? 
ATOM   90   C CB  . TYR A 1 11  ? -3.855  -20.636 -19.040 1.000 20.266 0 11  TYR A CB  1 ? 
ATOM   91   C CG  . TYR A 1 11  ? -3.461  -21.103 -17.663 1.000 19.021 0 11  TYR A CG  1 ? 
ATOM   92   C CD1 . TYR A 1 11  ? -2.894  -20.233 -16.738 1.000 18.909 0 11  TYR A CD1 1 ? 
ATOM   93   C CD2 . TYR A 1 11  ? -3.630  -22.416 -17.254 1.000 19.170 0 11  TYR A CD2 1 ? 
ATOM   94   C CE1 . TYR A 1 11  ? -2.491  -20.655 -15.497 1.000 20.590 0 11  TYR A CE1 1 ? 
ATOM   95   C CE2 . TYR A 1 11  ? -3.263  -22.842 -15.991 1.000 19.734 0 11  TYR A CE2 1 ? 
ATOM   96   C CZ  . TYR A 1 11  ? -2.718  -21.947 -15.088 1.000 19.401 0 11  TYR A CZ  1 ? 
ATOM   97   O OH  . TYR A 1 11  ? -2.318  -22.432 -13.855 1.000 21.645 0 11  TYR A OH  1 ? 
ATOM   98   N N   . THR A 1 12  ? -2.045  -18.383 -20.351 1.000 16.608 0 12  THR A N   1 ? 
ATOM   99   C CA  . THR A 1 12  ? -1.266  -17.176 -20.179 1.000 15.421 0 12  THR A CA  1 ? 
ATOM   100  C C   . THR A 1 12  ? -1.262  -16.800 -18.713 1.000 16.387 0 12  THR A C   1 ? 
ATOM   101  O O   . THR A 1 12  ? -2.271  -16.879 -18.018 1.000 18.146 0 12  THR A O   1 ? 
ATOM   102  C CB  . THR A 1 12  ? -1.798  -16.015 -21.006 1.000 17.908 0 12  THR A CB  1 ? 
ATOM   103  O OG1 . THR A 1 12  ? -1.777  -16.469 -22.371 1.000 20.182 0 12  THR A OG1 1 ? 
ATOM   104  C CG2 . THR A 1 12  ? -0.990  -14.742 -20.841 1.000 17.605 0 12  THR A CG2 1 ? 
ATOM   105  N N   . VAL A 1 13  ? -0.087  -16.409 -18.234 1.000 15.339 0 13  VAL A N   1 ? 
ATOM   106  C CA  . VAL A 1 13  ? 0.060   -15.798 -16.929 1.000 14.861 0 13  VAL A CA  1 ? 
ATOM   107  C C   . VAL A 1 13  ? 0.768   -14.484 -17.101 1.000 15.682 0 13  VAL A C   1 ? 
ATOM   108  O O   . VAL A 1 13  ? 1.454   -14.238 -18.100 1.000 17.486 0 13  VAL A O   1 ? 
ATOM   109  C CB  . VAL A 1 13  ? 0.781   -16.647 -15.889 1.000 17.187 0 13  VAL A CB  1 ? 
ATOM   110  C CG1 . VAL A 1 13  ? 0.107   -18.003 -15.683 1.000 18.029 0 13  VAL A CG1 1 ? 
ATOM   111  C CG2 . VAL A 1 13  ? 2.237   -16.836 -16.203 1.000 19.290 0 13  VAL A CG2 1 ? 
ATOM   112  N N   . TRP A 1 14  ? 0.599   -13.606 -16.122 1.000 14.166 0 14  TRP A N   1 ? 
ATOM   113  C CA  . TRP A 1 14  ? 1.289   -12.336 -16.055 1.000 14.343 0 14  TRP A CA  1 ? 
ATOM   114  C C   . TRP A 1 14  ? 2.210   -12.364 -14.857 1.000 14.484 0 14  TRP A C   1 ? 
ATOM   115  O O   . TRP A 1 14  ? 1.786   -12.291 -13.697 1.000 14.734 0 14  TRP A O   1 ? 
ATOM   116  C CB  . TRP A 1 14  ? 0.308   -11.173 -16.004 1.000 15.128 0 14  TRP A CB  1 ? 
ATOM   117  C CG  . TRP A 1 14  ? -0.417  -10.947 -17.293 1.000 14.792 0 14  TRP A CG  1 ? 
ATOM   118  C CD1 . TRP A 1 14  ? -0.101  -9.987  -18.206 1.000 17.417 0 14  TRP A CD1 1 ? 
ATOM   119  C CD2 . TRP A 1 14  ? -1.534  -11.677 -17.831 1.000 15.326 0 14  TRP A CD2 1 ? 
ATOM   120  N NE1 . TRP A 1 14  ? -0.979  -10.053 -19.247 1.000 17.990 0 14  TRP A NE1 1 ? 
ATOM   121  C CE2 . TRP A 1 14  ? -1.851  -11.084 -19.086 1.000 16.251 0 14  TRP A CE2 1 ? 
ATOM   122  C CE3 . TRP A 1 14  ? -2.290  -12.745 -17.403 1.000 15.771 0 14  TRP A CE3 1 ? 
ATOM   123  C CZ2 . TRP A 1 14  ? -2.909  -11.525 -19.878 1.000 18.321 0 14  TRP A CZ2 1 ? 
ATOM   124  C CZ3 . TRP A 1 14  ? -3.323  -13.201 -18.209 1.000 17.895 0 14  TRP A CZ3 1 ? 
ATOM   125  C CH2 . TRP A 1 14  ? -3.616  -12.600 -19.423 1.000 17.558 0 14  TRP A CH2 1 ? 
ATOM   126  N N   . ALA A 1 15  ? 3.485   -12.643 -15.107 1.000 13.378 0 15  ALA A N   1 ? 
ATOM   127  C CA  . ALA A 1 15  ? 4.457   -12.769 -14.049 1.000 13.871 0 15  ALA A CA  1 ? 
ATOM   128  C C   . ALA A 1 15  ? 4.649   -11.394 -13.404 1.000 13.917 0 15  ALA A C   1 ? 
ATOM   129  O O   . ALA A 1 15  ? 4.455   -10.374 -14.046 1.000 14.992 0 15  ALA A O   1 ? 
ATOM   130  C CB  . ALA A 1 15  ? 5.800   -13.282 -14.565 1.000 15.846 0 15  ALA A CB  1 ? 
ATOM   131  N N   . ALA A 1 16  ? 5.044   -11.385 -12.141 1.000 14.628 0 16  ALA A N   1 ? 
ATOM   132  C CA  . ALA A 1 16  ? 5.246   -10.196 -11.330 1.000 15.424 0 16  ALA A CA  1 ? 
ATOM   133  C C   . ALA A 1 16  ? 6.476   -10.445 -10.493 1.000 15.859 0 16  ALA A C   1 ? 
ATOM   134  O O   . ALA A 1 16  ? 6.751   -11.567 -10.044 1.000 16.118 0 16  ALA A O   1 ? 
ATOM   135  C CB  . ALA A 1 16  ? 4.054   -9.904  -10.456 1.000 16.970 0 16  ALA A CB  1 ? 
ATOM   136  N N   . ALA A 1 17  ? 7.260   -9.362  -10.248 1.000 16.615 0 17  ALA A N   1 ? 
ATOM   137  C CA  . ALA A 1 17  ? 8.450   -9.447  -9.426  1.000 15.970 0 17  ALA A CA  1 ? 
ATOM   138  C C   . ALA A 1 17  ? 8.607   -8.114  -8.704  1.000 16.789 0 17  ALA A C   1 ? 
ATOM   139  O O   . ALA A 1 17  ? 8.670   -7.060  -9.352  1.000 18.626 0 17  ALA A O   1 ? 
ATOM   140  C CB  . ALA A 1 17  ? 9.673   -9.747  -10.264 1.000 19.147 0 17  ALA A CB  1 ? 
ATOM   141  N N   . SER A 1 18  ? 8.621   -8.165  -7.384  1.000 15.566 0 18  SER A N   1 ? 
ATOM   142  C CA  . SER A 1 18  ? 8.640   -6.963  -6.550  1.000 17.455 0 18  SER A CA  1 ? 
ATOM   143  C C   . SER A 1 18  ? 9.406   -7.268  -5.268  1.000 18.252 0 18  SER A C   1 ? 
ATOM   144  O O   . SER A 1 18  ? 9.452   -8.383  -4.806  1.000 18.541 0 18  SER A O   1 ? 
ATOM   145  C CB  . SER A 1 18  ? 7.193   -6.581  -6.225  1.000 19.667 0 18  SER A CB  1 ? 
ATOM   146  O OG  . SER A 1 18  ? 7.094   -5.464  -5.338  1.000 23.699 0 18  SER A OG  1 ? 
ATOM   147  N N   . LYS A 1 19  ? 9.884   -6.206  -4.571  1.000 20.090 0 19  LYS A N   1 ? 
ATOM   148  C CA  . LYS A 1 19  ? 10.356  -6.336  -3.191  1.000 22.267 0 19  LYS A CA  1 ? 
ATOM   149  C C   . LYS A 1 19  ? 9.446   -5.545  -2.254  1.000 25.075 0 19  LYS A C   1 ? 
ATOM   150  O O   . LYS A 1 19  ? 9.853   -5.282  -1.121  1.000 28.529 0 19  LYS A O   1 ? 
ATOM   151  C CB  . LYS A 1 19  ? 11.858  -6.000  -3.040  1.000 23.677 0 19  LYS A CB  1 ? 
ATOM   152  C CG  . LYS A 1 19  ? 12.250  -4.573  -3.400  1.000 27.861 0 19  LYS A CG  1 ? 
ATOM   153  C CD  . LYS A 1 19  ? 13.738  -4.263  -3.202  1.000 27.962 0 19  LYS A CD  1 ? 
ATOM   154  C CE  . LYS A 1 19  ? 13.995  -2.792  -3.256  1.000 37.672 0 19  LYS A CE  1 ? 
ATOM   155  N NZ  . LYS A 1 19  ? 13.601  -2.159  -1.990  1.000 41.772 0 19  LYS A NZ  1 ? 
ATOM   156  N N   . GLY A 1 20  ? 8.239   -5.200  -2.682  1.000 23.269 0 20  GLY A N   1 ? 
ATOM   157  C CA  . GLY A 1 20  ? 7.219   -4.665  -1.783  1.000 24.253 0 20  GLY A CA  1 ? 
ATOM   158  C C   . GLY A 1 20  ? 7.098   -3.141  -1.869  1.000 26.035 0 20  GLY A C   1 ? 
ATOM   159  O O   . GLY A 1 20  ? 5.988   -2.618  -1.862  1.000 26.644 0 20  GLY A O   1 ? 
ATOM   160  N N   . ASP A 1 21  ? 8.238   -2.465  -2.058  1.000 29.740 0 21  ASP A N   1 ? 
ATOM   161  C CA  . ASP A 1 21  ? 8.259   -1.015  -2.196  1.000 29.421 0 21  ASP A CA  1 ? 
ATOM   162  C C   . ASP A 1 21  ? 8.860   -0.581  -3.531  1.000 31.813 0 21  ASP A C   1 ? 
ATOM   163  O O   . ASP A 1 21  ? 9.006   0.609   -3.780  1.000 35.293 0 21  ASP A O   1 ? 
ATOM   164  C CB  . ASP A 1 21  ? 9.027   -0.440  -1.013  1.000 34.121 0 21  ASP A CB  1 ? 
ATOM   165  C CG  . ASP A 1 21  ? 10.505  -0.812  -0.974  1.000 40.035 0 21  ASP A CG  1 ? 
ATOM   166  O OD1 . ASP A 1 21  ? 10.930  -1.750  -1.701  1.000 35.755 0 21  ASP A OD1 1 ? 
ATOM   167  O OD2 . ASP A 1 21  ? 11.256  -0.114  -0.256  1.000 50.253 0 21  ASP A OD2 1 ? 
ATOM   168  N N   . ALA A 1 22  ? 9.139   -1.540  -4.431  1.000 26.612 0 22  ALA A N   1 ? 
ATOM   169  C CA  . ALA A 1 22  ? 9.740   -1.288  -5.721  1.000 23.667 0 22  ALA A CA  1 ? 
ATOM   170  C C   . ALA A 1 22  ? 9.584   -2.524  -6.607  1.000 21.691 0 22  ALA A C   1 ? 
ATOM   171  O O   . ALA A 1 22  ? 9.575   -3.637  -6.105  1.000 23.036 0 22  ALA A O   1 ? 
ATOM   172  C CB  . ALA A 1 22  ? 11.207  -0.987  -5.569  1.000 25.449 0 22  ALA A CB  1 ? 
ATOM   173  N N   . ALA A 1 23  ? 9.493   -2.293  -7.904  1.000 20.926 0 23  ALA A N   1 ? 
ATOM   174  C CA  . ALA A 1 23  ? 9.600   -3.371  -8.867  1.000 21.948 0 23  ALA A CA  1 ? 
ATOM   175  C C   . ALA A 1 23  ? 10.988  -3.986  -8.798  1.000 25.171 0 23  ALA A C   1 ? 
ATOM   176  O O   . ALA A 1 23  ? 11.987  -3.308  -8.528  1.000 26.872 0 23  ALA A O   1 ? 
ATOM   177  C CB  . ALA A 1 23  ? 9.389   -2.813  -10.234 1.000 23.773 0 23  ALA A CB  1 ? 
ATOM   178  N N   . LEU A 1 24  ? 11.065  -5.272  -9.144  1.000 20.489 0 24  LEU A N   1 ? 
ATOM   179  C CA  . LEU A 1 24  ? 12.309  -5.903  -9.537  1.000 20.010 0 24  LEU A CA  1 ? 
ATOM   180  C C   . LEU A 1 24  ? 12.327  -5.956  -11.051 1.000 20.767 0 24  LEU A C   1 ? 
ATOM   181  O O   . LEU A 1 24  ? 11.399  -6.438  -11.681 1.000 20.652 0 24  LEU A O   1 ? 
ATOM   182  C CB  . LEU A 1 24  ? 12.517  -7.296  -8.974  1.000 21.438 0 24  LEU A CB  1 ? 
ATOM   183  C CG  . LEU A 1 24  ? 12.459  -7.318  -7.447  1.000 22.873 0 24  LEU A CG  1 ? 
ATOM   184  C CD1 . LEU A 1 24  ? 12.511  -8.752  -6.980  1.000 23.867 0 24  LEU A CD1 1 ? 
ATOM   185  C CD2 . LEU A 1 24  ? 13.586  -6.493  -6.868  1.000 26.932 0 24  LEU A CD2 1 ? 
ATOM   186  N N   . ASP A 1 25  ? 13.394  -5.432  -11.667 1.000 21.434 0 25  ASP A N   1 ? 
ATOM   187  C CA  . ASP A 1 25  ? 13.484  -5.354  -13.122 1.000 21.170 0 25  ASP A CA  1 ? 
ATOM   188  C C   . ASP A 1 25  ? 12.255  -4.570  -13.598 1.000 19.929 0 25  ASP A C   1 ? 
ATOM   189  O O   . ASP A 1 25  ? 11.835  -3.580  -12.981 1.000 23.782 0 25  ASP A O   1 ? 
ATOM   190  C CB  . ASP A 1 25  ? 13.713  -6.732  -13.723 1.000 22.209 0 25  ASP A CB  1 ? 
ATOM   191  C CG  . ASP A 1 25  ? 14.236  -6.812  -15.156 1.000 25.263 0 25  ASP A CG  1 ? 
ATOM   192  O OD1 . ASP A 1 25  ? 13.446  -6.492  -16.090 1.000 26.938 0 25  ASP A OD1 1 ? 
ATOM   193  O OD2 . ASP A 1 25  ? 15.412  -7.235  -15.327 1.000 25.683 0 25  ASP A OD2 1 ? 
ATOM   194  N N   . ALA A 1 26  ? 11.609  -5.017  -14.666 1.000 20.248 0 26  ALA A N   1 ? 
ATOM   195  C CA  . ALA A 1 26  ? 10.430  -4.340  -15.167 1.000 21.423 0 26  ALA A CA  1 ? 
ATOM   196  C C   . ALA A 1 26  ? 9.204   -4.506  -14.268 1.000 22.790 0 26  ALA A C   1 ? 
ATOM   197  O O   . ALA A 1 26  ? 8.219   -3.823  -14.476 1.000 26.708 0 26  ALA A O   1 ? 
ATOM   198  C CB  . ALA A 1 26  ? 10.102  -4.819  -16.564 1.000 25.202 0 26  ALA A CB  1 ? 
ATOM   199  N N   . GLY A 1 27  ? 9.203   -5.484  -13.351 1.000 20.453 0 27  GLY A N   1 ? 
ATOM   200  C CA  . GLY A 1 27  ? 8.121   -5.652  -12.391 1.000 18.873 0 27  GLY A CA  1 ? 
ATOM   201  C C   . GLY A 1 27  ? 7.009   -6.585  -12.871 1.000 18.993 0 27  GLY A C   1 ? 
ATOM   202  O O   . GLY A 1 27  ? 6.303   -7.153  -12.035 1.000 18.916 0 27  GLY A O   1 ? 
ATOM   203  N N   . GLY A 1 28  ? 6.826   -6.730  -14.176 1.000 17.434 0 28  GLY A N   1 ? 
ATOM   204  C CA  . GLY A 1 28  ? 5.782   -7.617  -14.661 1.000 17.757 0 28  GLY A CA  1 ? 
ATOM   205  C C   . GLY A 1 28  ? 5.811   -7.730  -16.161 1.000 19.350 0 28  GLY A C   1 ? 
ATOM   206  O O   . GLY A 1 28  ? 6.343   -6.838  -16.832 1.000 19.894 0 28  GLY A O   1 ? 
ATOM   207  N N   . ARG A 1 29  ? 5.264   -8.847  -16.665 1.000 17.295 0 29  ARG A N   1 ? 
ATOM   208  C CA  . ARG A 1 29  ? 5.183   -9.084  -18.090 1.000 17.660 0 29  ARG A CA  1 ? 
ATOM   209  C C   . ARG A 1 29  ? 4.200   -10.202 -18.345 1.000 17.292 0 29  ARG A C   1 ? 
ATOM   210  O O   . ARG A 1 29  ? 4.107   -11.130 -17.548 1.000 16.614 0 29  ARG A O   1 ? 
ATOM   211  C CB  . ARG A 1 29  ? 6.560   -9.478  -18.621 1.000 21.953 0 29  ARG A CB  1 ? 
ATOM   212  C CG  . ARG A 1 29  ? 6.789   -8.970  -20.031 1.000 23.192 0 29  ARG A CG  1 ? 
ATOM   213  C CD  . ARG A 1 29  ? 7.898   -9.772  -20.654 1.000 23.160 0 29  ARG A CD  1 ? 
ATOM   214  N NE  . ARG A 1 29  ? 7.375   -11.044 -21.145 1.000 20.483 0 29  ARG A NE  1 ? 
ATOM   215  C CZ  . ARG A 1 29  ? 8.054   -11.830 -21.958 1.000 22.265 0 29  ARG A CZ  1 ? 
ATOM   216  N NH1 . ARG A 1 29  ? 9.340   -11.602 -22.150 1.000 22.497 0 29  ARG A NH1 1 ? 
ATOM   217  N NH2 . ARG A 1 29  ? 7.453   -12.845 -22.561 1.000 21.665 0 29  ARG A NH2 1 ? 
ATOM   218  N N   . GLN A 1 30  ? 3.569   -10.169 -19.490 1.000 16.902 0 30  GLN A N   1 ? 
ATOM   219  C CA  . GLN A 1 30  ? 2.787   -11.291 -19.968 1.000 15.027 0 30  GLN A CA  1 ? 
ATOM   220  C C   . GLN A 1 30  ? 3.697   -12.407 -20.434 1.000 15.434 0 30  GLN A C   1 ? 
ATOM   221  O O   . GLN A 1 30  ? 4.690   -12.203 -21.127 1.000 17.323 0 30  GLN A O   1 ? 
ATOM   222  C CB  . GLN A 1 30  ? 1.936   -10.839 -21.156 1.000 17.243 0 30  GLN A CB  1 ? 
ATOM   223  C CG  . GLN A 1 30  ? 1.005   -11.908 -21.695 1.000 18.563 0 30  GLN A CG  1 ? 
ATOM   224  C CD  . GLN A 1 30  ? 0.064   -11.370 -22.749 1.000 23.459 0 30  GLN A CD  1 ? 
ATOM   225  O OE1 . GLN A 1 30  ? -0.405  -10.230 -22.671 1.000 26.049 0 30  GLN A OE1 1 ? 
ATOM   226  N NE2 . GLN A 1 30  ? -0.190  -12.193 -23.744 1.000 26.044 0 30  GLN A NE2 1 ? 
ATOM   227  N N   . LEU A 1 31  ? 3.354   -13.626 -20.034 1.000 14.511 0 31  LEU A N   1 ? 
ATOM   228  C CA  . LEU A 1 31  ? 4.004   -14.838 -20.506 1.000 15.011 0 31  LEU A CA  1 ? 
ATOM   229  C C   . LEU A 1 31  ? 2.945   -15.742 -21.098 1.000 14.790 0 31  LEU A C   1 ? 
ATOM   230  O O   . LEU A 1 31  ? 2.158   -16.356 -20.371 1.000 15.127 0 31  LEU A O   1 ? 
ATOM   231  C CB  . LEU A 1 31  ? 4.733   -15.638 -19.421 1.000 16.581 0 31  LEU A CB  1 ? 
ATOM   232  C CG  . LEU A 1 31  ? 5.930   -14.968 -18.790 1.000 20.609 0 31  LEU A CG  1 ? 
ATOM   233  C CD1 . LEU A 1 31  ? 6.437   -15.801 -17.623 1.000 23.519 0 31  LEU A CD1 1 ? 
ATOM   234  C CD2 . LEU A 1 31  ? 6.995   -14.821 -19.778 1.000 24.482 0 31  LEU A CD2 1 ? 
ATOM   235  N N   . ASN A 1 32  ? 2.966   -15.912 -22.424 1.000 14.555 0 32  ASN A N   1 ? 
ATOM   236  C CA  . ASN A 1 32  ? 2.145   -16.948 -23.019 1.000 15.072 0 32  ASN A CA  1 ? 
ATOM   237  C C   . ASN A 1 32  ? 2.722   -18.312 -22.692 1.000 14.414 0 32  ASN A C   1 ? 
ATOM   238  O O   . ASN A 1 32  ? 3.838   -18.436 -22.208 1.000 15.582 0 32  ASN A O   1 ? 
ATOM   239  C CB  . ASN A 1 32  ? 2.047   -16.747 -24.521 1.000 16.721 0 32  ASN A CB  1 ? 
ATOM   240  C CG  . ASN A 1 32  ? 1.364   -15.441 -24.849 1.000 21.961 0 32  ASN A CG  1 ? 
ATOM   241  O OD1 . ASN A 1 32  ? 0.450   -15.022 -24.145 1.000 25.828 0 32  ASN A OD1 1 ? 
ATOM   242  N ND2 . ASN A 1 32  ? 1.760   -14.804 -25.934 1.000 30.158 0 32  ASN A ND2 1 ? 
ATOM   243  N N   . SER A 1 33  ? 1.946   -19.352 -22.953 1.000 15.132 0 33  SER A N   1 ? 
ATOM   244  C CA  . SER A 1 33  ? 2.354   -20.707 -22.694 1.000 14.098 0 33  SER A CA  1 ? 
ATOM   245  C C   . SER A 1 33  ? 3.661   -21.004 -23.398 1.000 15.491 0 33  SER A C   1 ? 
ATOM   246  O O   . SER A 1 33  ? 3.747   -20.927 -24.644 1.000 15.183 0 33  SER A O   1 ? 
ATOM   247  C CB  . SER A 1 33  ? 1.280   -21.672 -23.117 1.000 15.750 0 33  SER A CB  1 ? 
ATOM   248  O OG  . SER A 1 33  ? 1.706   -22.994 -22.975 1.000 16.952 0 33  SER A OG  1 ? 
ATOM   249  N N   . GLY A 1 34  ? 4.652   -21.400 -22.615 1.000 14.556 0 34  GLY A N   1 ? 
ATOM   250  C CA  . GLY A 1 34  ? 5.982   -21.710 -23.118 1.000 14.768 0 34  GLY A CA  1 ? 
ATOM   251  C C   . GLY A 1 34  ? 6.989   -20.579 -23.058 1.000 14.380 0 34  GLY A C   1 ? 
ATOM   252  O O   . GLY A 1 34  ? 8.175   -20.840 -23.238 1.000 15.952 0 34  GLY A O   1 ? 
ATOM   253  N N   . GLU A 1 35  ? 6.582   -19.328 -22.860 1.000 13.898 0 35  GLU A N   1 ? 
ATOM   254  C CA  . GLU A 1 35  ? 7.489   -18.201 -22.906 1.000 13.857 0 35  GLU A CA  1 ? 
ATOM   255  C C   . GLU A 1 35  ? 8.344   -18.132 -21.647 1.000 14.351 0 35  GLU A C   1 ? 
ATOM   256  O O   . GLU A 1 35  ? 7.926   -18.539 -20.543 1.000 15.333 0 35  GLU A O   1 ? 
ATOM   257  C CB  . GLU A 1 35  ? 6.751   -16.892 -23.096 1.000 14.651 0 35  GLU A CB  1 ? 
ATOM   258  C CG  . GLU A 1 35  ? 6.167   -16.728 -24.501 1.000 15.908 0 35  GLU A CG  1 ? 
ATOM   259  C CD  . GLU A 1 35  ? 5.547   -15.388 -24.766 1.000 18.848 0 35  GLU A CD  1 ? 
ATOM   260  O OE1 . GLU A 1 35  ? 5.081   -14.647 -23.867 1.000 17.554 0 35  GLU A OE1 1 ? 
ATOM   261  O OE2 . GLU A 1 35  ? 5.598   -14.988 -25.976 1.000 22.293 0 35  GLU A OE2 1 ? 
ATOM   262  N N   . SER A 1 36  ? 9.513   -17.528 -21.795 1.000 14.944 0 36  SER A N   1 ? 
ATOM   263  C CA  . SER A 1 36  ? 10.510  -17.366 -20.765 1.000 15.741 0 36  SER A CA  1 ? 
ATOM   264  C C   . SER A 1 36  ? 10.888  -15.899 -20.705 1.000 18.090 0 36  SER A C   1 ? 
ATOM   265  O O   . SER A 1 36  ? 11.099  -15.267 -21.737 1.000 19.369 0 36  SER A O   1 ? 
ATOM   266  C CB  . SER A 1 36  ? 11.739  -18.176 -21.074 1.000 17.079 0 36  SER A CB  1 ? 
ATOM   267  O OG  . SER A 1 36  ? 11.464  -19.545 -21.169 1.000 17.907 0 36  SER A OG  1 ? 
ATOM   268  N N   . TRP A 1 37  ? 11.033  -15.365 -19.504 1.000 15.892 0 37  TRP A N   1 ? 
ATOM   269  C CA  . TRP A 1 37  ? 11.364  -13.976 -19.244 1.000 16.104 0 37  TRP A CA  1 ? 
ATOM   270  C C   . TRP A 1 37  ? 12.562  -14.009 -18.314 1.000 18.063 0 37  TRP A C   1 ? 
ATOM   271  O O   . TRP A 1 37  ? 12.502  -14.598 -17.255 1.000 18.348 0 37  TRP A O   1 ? 
ATOM   272  C CB  . TRP A 1 37  ? 10.189  -13.272 -18.585 1.000 19.076 0 37  TRP A CB  1 ? 
ATOM   273  C CG  . TRP A 1 37  ? 10.384  -11.838 -18.203 1.000 19.914 0 37  TRP A CG  1 ? 
ATOM   274  C CD1 . TRP A 1 37  ? 11.118  -10.897 -18.845 1.000 22.606 0 37  TRP A CD1 1 ? 
ATOM   275  C CD2 . TRP A 1 37  ? 9.782   -11.188 -17.069 1.000 20.681 0 37  TRP A CD2 1 ? 
ATOM   276  N NE1 . TRP A 1 37  ? 10.972  -9.692  -18.193 1.000 23.792 0 37  TRP A NE1 1 ? 
ATOM   277  C CE2 . TRP A 1 37  ? 10.187  -9.833  -17.106 1.000 23.064 0 37  TRP A CE2 1 ? 
ATOM   278  C CE3 . TRP A 1 37  ? 8.996   -11.638 -16.028 1.000 20.699 0 37  TRP A CE3 1 ? 
ATOM   279  C CZ2 . TRP A 1 37  ? 9.765   -8.933  -16.129 1.000 22.956 0 37  TRP A CZ2 1 ? 
ATOM   280  C CZ3 . TRP A 1 37  ? 8.579   -10.744 -15.064 1.000 24.053 0 37  TRP A CZ3 1 ? 
ATOM   281  C CH2 . TRP A 1 37  ? 8.986   -9.418  -15.116 1.000 25.079 0 37  TRP A CH2 1 ? 
ATOM   282  N N   . THR A 1 38  ? 13.657  -13.367 -18.693 1.000 18.837 0 38  THR A N   1 ? 
ATOM   283  C CA  . THR A 1 38  ? 14.844  -13.319 -17.865 1.000 20.552 0 38  THR A CA  1 ? 
ATOM   284  C C   . THR A 1 38  ? 14.952  -11.927 -17.243 1.000 19.684 0 38  THR A C   1 ? 
ATOM   285  O O   . THR A 1 38  ? 14.843  -10.914 -17.932 1.000 22.573 0 38  THR A O   1 ? 
ATOM   286  C CB  . THR A 1 38  ? 16.062  -13.593 -18.738 1.000 25.266 0 38  THR A CB  1 ? 
ATOM   287  O OG1 . THR A 1 38  ? 15.986  -14.930 -19.239 1.000 28.102 0 38  THR A OG1 1 ? 
ATOM   288  C CG2 . THR A 1 38  ? 17.334  -13.439 -17.948 1.000 28.616 0 38  THR A CG2 1 ? 
ATOM   289  N N   . ILE A 1 39  ? 15.049  -11.914 -15.921 1.000 19.264 0 39  ILE A N   1 ? 
ATOM   290  C CA  . ILE A 1 39  ? 15.206  -10.669 -15.174 1.000 19.508 0 39  ILE A CA  1 ? 
ATOM   291  C C   . ILE A 1 39  ? 16.530  -10.675 -14.435 1.000 19.111 0 39  ILE A C   1 ? 
ATOM   292  O O   . ILE A 1 39  ? 17.095  -11.692 -14.100 1.000 20.595 0 39  ILE A O   1 ? 
ATOM   293  C CB  . ILE A 1 39  ? 14.016  -10.392 -14.240 1.000 21.547 0 39  ILE A CB  1 ? 
ATOM   294  C CG1 . ILE A 1 39  ? 13.874  -11.389 -13.130 1.000 20.133 0 39  ILE A CG1 1 ? 
ATOM   295  C CG2 . ILE A 1 39  ? 12.734  -10.281 -15.064 1.000 23.468 0 39  ILE A CG2 1 ? 
ATOM   296  C CD1 . ILE A 1 39  ? 12.922  -10.964 -12.025 1.000 23.860 0 39  ILE A CD1 1 ? 
ATOM   297  N N   . ASN A 1 40  ? 16.959  -9.445  -14.121 1.000 20.623 0 40  ASN A N   1 ? 
ATOM   298  C CA  . ASN A 1 40  ? 18.131  -9.242  -13.291 1.000 21.112 0 40  ASN A CA  1 ? 
ATOM   299  C C   . ASN A 1 40  ? 17.673  -8.618  -11.989 1.000 20.580 0 40  ASN A C   1 ? 
ATOM   300  O O   . ASN A 1 40  ? 16.926  -7.668  -11.989 1.000 24.405 0 40  ASN A O   1 ? 
ATOM   301  C CB  . ASN A 1 40  ? 19.127  -8.316  -13.987 1.000 25.077 0 40  ASN A CB  1 ? 
ATOM   302  C CG  . ASN A 1 40  ? 19.729  -9.027  -15.177 1.000 35.116 0 40  ASN A CG  1 ? 
ATOM   303  O OD1 . ASN A 1 40  ? 20.495  -9.990  -15.010 1.000 41.181 0 40  ASN A OD1 1 ? 
ATOM   304  N ND2 . ASN A 1 40  ? 19.319  -8.639  -16.379 1.000 42.369 0 40  ASN A ND2 1 ? 
ATOM   305  N N   . VAL A 1 41  ? 18.120  -9.217  -10.910 1.000 21.038 0 41  VAL A N   1 ? 
ATOM   306  C CA  . VAL A 1 41  ? 17.821  -8.806  -9.547  1.000 21.134 0 41  VAL A CA  1 ? 
ATOM   307  C C   . VAL A 1 41  ? 19.135  -8.340  -8.913  1.000 22.090 0 41  VAL A C   1 ? 
ATOM   308  O O   . VAL A 1 41  ? 20.104  -9.076  -8.925  1.000 22.298 0 41  VAL A O   1 ? 
ATOM   309  C CB  . VAL A 1 41  ? 17.159  -9.947  -8.774  1.000 20.958 0 41  VAL A CB  1 ? 
ATOM   310  C CG1 . VAL A 1 41  ? 16.864  -9.510  -7.355  1.000 23.492 0 41  VAL A CG1 1 ? 
ATOM   311  C CG2 . VAL A 1 41  ? 15.862  -10.417 -9.450  1.000 24.900 0 41  VAL A CG2 1 ? 
ATOM   312  N N   . GLU A 1 42  ? 19.119  -7.129  -8.358  1.000 23.979 0 42  GLU A N   1 ? 
ATOM   313  C CA  . GLU A 1 42  ? 20.342  -6.560  -7.789  1.000 23.985 0 42  GLU A CA  1 ? 
ATOM   314  C C   . GLU A 1 42  ? 20.804  -7.436  -6.642  1.000 23.799 0 42  GLU A C   1 ? 
ATOM   315  O O   . GLU A 1 42  ? 20.033  -7.833  -5.782  1.000 21.844 0 42  GLU A O   1 ? 
ATOM   316  C CB  . GLU A 1 42  ? 20.140  -5.121  -7.311  1.000 28.696 0 42  GLU A CB  1 ? 
ATOM   317  C CG  . GLU A 1 42  ? 21.440  -4.522  -6.765  1.000 35.954 0 42  GLU A CG  1 ? 
ATOM   318  C CD  . GLU A 1 42  ? 21.375  -3.072  -6.338  0.230 38.942 0 42  GLU A CD  1 ? 
ATOM   319  O OE1 . GLU A 1 42  ? 22.201  -2.289  -6.849  0.690 47.404 0 42  GLU A OE1 1 ? 
ATOM   320  O OE2 . GLU A 1 42  ? 20.526  -2.743  -5.487  0.620 43.530 0 42  GLU A OE2 1 ? 
ATOM   321  N N   . PRO A 1 43  ? 22.113  -7.727  -6.529  1.000 22.053 0 43  PRO A N   1 ? 
ATOM   322  C CA  . PRO A 1 43  ? 22.649  -8.357  -5.333  1.000 22.568 0 43  PRO A CA  1 ? 
ATOM   323  C C   . PRO A 1 43  ? 22.270  -7.571  -4.071  1.000 21.925 0 43  PRO A C   1 ? 
ATOM   324  O O   . PRO A 1 43  ? 22.031  -6.354  -4.095  1.000 24.421 0 43  PRO A O   1 ? 
ATOM   325  C CB  . PRO A 1 43  ? 24.198  -8.379  -5.530  1.000 26.434 0 43  PRO A CB  1 ? 
ATOM   326  C CG  . PRO A 1 43  ? 24.401  -8.102  -6.996  1.000 27.245 0 43  PRO A CG  1 ? 
ATOM   327  C CD  . PRO A 1 43  ? 23.156  -7.408  -7.531  1.000 23.614 0 43  PRO A CD  1 ? 
ATOM   328  N N   . GLY A 1 44  ? 22.022  -8.351  -3.013  1.000 23.845 0 44  GLY A N   1 ? 
ATOM   329  C CA  . GLY A 1 44  ? 21.671  -7.803  -1.720  1.000 24.632 0 44  GLY A CA  1 ? 
ATOM   330  C C   . GLY A 1 44  ? 20.175  -7.591  -1.538  1.000 24.964 0 44  GLY A C   1 ? 
ATOM   331  O O   . GLY A 1 44  ? 19.748  -7.157  -0.466  1.000 27.131 0 44  GLY A O   1 ? 
ATOM   332  N N   . THR A 1 45  ? 19.364  -7.886  -2.572  1.000 21.304 0 45  THR A N   1 ? 
ATOM   333  C CA  . THR A 1 45  ? 17.927  -7.735  -2.491  1.000 22.079 0 45  THR A CA  1 ? 
ATOM   334  C C   . THR A 1 45  ? 17.386  -8.614  -1.374  1.000 21.126 0 45  THR A C   1 ? 
ATOM   335  O O   . THR A 1 45  ? 17.601  -9.815  -1.338  1.000 21.822 0 45  THR A O   1 ? 
ATOM   336  C CB  . THR A 1 45  ? 17.267  -8.087  -3.830  1.000 22.380 0 45  THR A CB  1 ? 
ATOM   337  O OG1 . THR A 1 45  ? 17.637  -7.106  -4.789  1.000 23.934 0 45  THR A OG1 1 ? 
ATOM   338  C CG2 . THR A 1 45  ? 15.750  -8.022  -3.790  1.000 24.284 0 45  THR A CG2 1 ? 
ATOM   339  N N   . ASN A 1 46  ? 16.620  -7.993  -0.474  1.000 21.498 0 46  ASN A N   1 ? 
ATOM   340  C CA  . ASN A 1 46  ? 16.077  -8.690  0.667   1.000 23.400 0 46  ASN A CA  1 ? 
ATOM   341  C C   . ASN A 1 46  ? 14.561  -8.607  0.527   1.000 22.439 0 46  ASN A C   1 ? 
ATOM   342  O O   . ASN A 1 46  ? 14.020  -7.578  0.179   1.000 25.021 0 46  ASN A O   1 ? 
ATOM   343  C CB  . ASN A 1 46  ? 16.482  -7.984  1.960   1.000 31.825 0 46  ASN A CB  1 ? 
ATOM   344  C CG  . ASN A 1 46  ? 16.620  -8.907  3.144   1.000 46.343 0 46  ASN A CG  1 ? 
ATOM   345  O OD1 . ASN A 1 46  ? 15.818  -9.829  3.335   1.000 54.072 0 46  ASN A OD1 1 ? 
ATOM   346  N ND2 . ASN A 1 46  ? 17.632  -8.657  3.965   1.000 55.645 0 46  ASN A ND2 1 ? 
ATOM   347  N N   . GLY A 1 47  ? 13.897  -9.754  0.655   1.000 21.278 0 47  GLY A N   1 ? 
ATOM   348  C CA  . GLY A 1 47  ? 12.446  -9.743  0.652   1.000 22.174 0 47  GLY A CA  1 ? 
ATOM   349  C C   . GLY A 1 47  ? 11.811  -9.647  -0.735  1.000 20.865 0 47  GLY A C   1 ? 
ATOM   350  O O   . GLY A 1 47  ? 10.733  -9.051  -0.907  1.000 22.294 0 47  GLY A O   1 ? 
ATOM   351  N N   . GLY A 1 48  ? 12.481  -10.192 -1.739  1.000 17.430 0 48  GLY A N   1 ? 
ATOM   352  C CA  . GLY A 1 48  ? 11.905  -10.222 -3.066  1.000 15.607 0 48  GLY A CA  1 ? 
ATOM   353  C C   . GLY A 1 48  ? 10.925  -11.381 -3.214  1.000 14.942 0 48  GLY A C   1 ? 
ATOM   354  O O   . GLY A 1 48  ? 11.041  -12.404 -2.549  1.000 16.841 0 48  GLY A O   1 ? 
ATOM   355  N N   . LYS A 1 49  ? 9.946   -11.163 -4.091  1.000 15.573 0 49  LYS A N   1 ? 
ATOM   356  C CA  . LYS A 1 49  ? 8.959   -12.185 -4.372  1.000 15.922 0 49  LYS A CA  1 ? 
ATOM   357  C C   . LYS A 1 49  ? 8.680   -12.170 -5.862  1.000 15.125 0 49  LYS A C   1 ? 
ATOM   358  O O   . LYS A 1 49  ? 8.637   -11.106 -6.512  1.000 15.894 0 49  LYS A O   1 ? 
ATOM   359  C CB  . LYS A 1 49  ? 7.661   -11.926 -3.609  1.000 15.286 0 49  LYS A CB  1 ? 
ATOM   360  C CG  . LYS A 1 49  ? 7.843   -11.803 -2.135  1.000 17.694 0 49  LYS A CG  1 ? 
ATOM   361  C CD  . LYS A 1 49  ? 6.566   -11.807 -1.324  1.000 21.199 0 49  LYS A CD  1 ? 
ATOM   362  C CE  . LYS A 1 49  ? 6.732   -11.416 0.122   1.000 22.724 0 49  LYS A CE  1 ? 
ATOM   363  N NZ  . LYS A 1 49  ? 7.614   -12.236 0.931   1.000 24.329 0 49  LYS A NZ  1 ? 
ATOM   364  N N   . ILE A 1 50  ? 8.418   -13.362 -6.382  1.000 13.814 0 50  ILE A N   1 ? 
ATOM   365  C CA  . ILE A 1 50  ? 7.909   -13.576 -7.746  1.000 14.481 0 50  ILE A CA  1 ? 
ATOM   366  C C   . ILE A 1 50  ? 6.611   -14.362 -7.637  1.000 13.425 0 50  ILE A C   1 ? 
ATOM   367  O O   . ILE A 1 50  ? 6.497   -15.302 -6.856  1.000 14.409 0 50  ILE A O   1 ? 
ATOM   368  C CB  . ILE A 1 50  ? 8.944   -14.318 -8.597  1.000 16.122 0 50  ILE A CB  1 ? 
ATOM   369  C CG1 . ILE A 1 50  ? 10.093  -13.390 -8.929  1.000 16.730 0 50  ILE A CG1 1 ? 
ATOM   370  C CG2 . ILE A 1 50  ? 8.336   -14.859 -9.886  1.000 16.907 0 50  ILE A CG2 1 ? 
ATOM   371  C CD1 . ILE A 1 50  ? 11.394  -14.068 -9.355  1.000 18.916 0 50  ILE A CD1 1 ? 
ATOM   372  N N   . TRP A 1 51  ? 5.636   -13.982 -8.462  1.000 12.687 0 51  TRP A N   1 ? 
ATOM   373  C CA  . TRP A 1 51  ? 4.364   -14.689 -8.489  1.000 12.894 0 51  TRP A CA  1 ? 
ATOM   374  C C   . TRP A 1 51  ? 3.781   -14.590 -9.875  1.000 13.490 0 51  TRP A C   1 ? 
ATOM   375  O O   . TRP A 1 51  ? 4.214   -13.780 -10.716 1.000 14.149 0 51  TRP A O   1 ? 
ATOM   376  C CB  . TRP A 1 51  ? 3.406   -14.184 -7.395  1.000 13.257 0 51  TRP A CB  1 ? 
ATOM   377  C CG  . TRP A 1 51  ? 2.879   -12.800 -7.551  1.000 14.185 0 51  TRP A CG  1 ? 
ATOM   378  C CD1 . TRP A 1 51  ? 1.642   -12.432 -7.992  1.000 14.081 0 51  TRP A CD1 1 ? 
ATOM   379  C CD2 . TRP A 1 51  ? 3.548   -11.566 -7.230  1.000 15.012 0 51  TRP A CD2 1 ? 
ATOM   380  N NE1 . TRP A 1 51  ? 1.491   -11.067 -7.954  1.000 15.201 0 51  TRP A NE1 1 ? 
ATOM   381  C CE2 . TRP A 1 51  ? 2.655   -10.518 -7.500  1.000 16.054 0 51  TRP A CE2 1 ? 
ATOM   382  C CE3 . TRP A 1 51  ? 4.831   -11.270 -6.757  1.000 15.691 0 51  TRP A CE3 1 ? 
ATOM   383  C CZ2 . TRP A 1 51  ? 2.992   -9.187  -7.315  1.000 16.407 0 51  TRP A CZ2 1 ? 
ATOM   384  C CZ3 . TRP A 1 51  ? 5.148   -9.924  -6.593  1.000 16.470 0 51  TRP A CZ3 1 ? 
ATOM   385  C CH2 . TRP A 1 51  ? 4.235   -8.927  -6.816  1.000 17.811 0 51  TRP A CH2 1 ? 
ATOM   386  N N   . ALA A 1 52  ? 2.729   -15.384 -10.097 1.000 13.310 0 52  ALA A N   1 ? 
ATOM   387  C CA  . ALA A 1 52  ? 1.935   -15.328 -11.306 1.000 13.845 0 52  ALA A CA  1 ? 
ATOM   388  C C   . ALA A 1 52  ? 0.606   -14.684 -11.005 1.000 13.819 0 52  ALA A C   1 ? 
ATOM   389  O O   . ALA A 1 52  ? 0.075   -14.830 -9.901  1.000 15.523 0 52  ALA A O   1 ? 
ATOM   390  C CB  . ALA A 1 52  ? 1.721   -16.711 -11.889 1.000 16.205 0 52  ALA A CB  1 ? 
ATOM   391  N N   . ARG A 1 53  ? 0.092   -13.968 -11.987 1.000 13.811 0 53  ARG A N   1 ? 
ATOM   392  C CA  . ARG A 1 53  ? -1.254  -13.428 -12.006 1.000 13.230 0 53  ARG A CA  1 ? 
ATOM   393  C C   . ARG A 1 53  ? -2.043  -14.083 -13.101 1.000 14.342 0 53  ARG A C   1 ? 
ATOM   394  O O   . ARG A 1 53  ? -1.496  -14.319 -14.194 1.000 14.975 0 53  ARG A O   1 ? 
ATOM   395  C CB  . ARG A 1 53  ? -1.228  -11.916 -12.216 1.000 13.478 0 53  ARG A CB  1 ? 
ATOM   396  C CG  . ARG A 1 53  ? -0.416  -11.216 -11.159 1.000 14.857 0 53  ARG A CG  1 ? 
ATOM   397  C CD  . ARG A 1 53  ? -0.140  -9.756  -11.450 1.000 16.271 0 53  ARG A CD  1 ? 
ATOM   398  N NE  . ARG A 1 53  ? 0.817   -9.678  -12.537 1.000 15.136 0 53  ARG A NE  1 ? 
ATOM   399  C CZ  . ARG A 1 53  ? 1.187   -8.524  -13.093 1.000 17.093 0 53  ARG A CZ  1 ? 
ATOM   400  N NH1 . ARG A 1 53  ? 0.540   -7.394  -12.822 1.000 18.639 0 53  ARG A NH1 1 ? 
ATOM   401  N NH2 . ARG A 1 53  ? 2.206   -8.507  -13.933 1.000 18.745 0 53  ARG A NH2 1 ? 
ATOM   402  N N   . THR A 1 54  ? -3.331  -14.337 -12.866 1.000 15.106 0 54  THR A N   1 ? 
ATOM   403  C CA  . THR A 1 54  ? -4.204  -14.962 -13.841 1.000 15.181 0 54  THR A CA  1 ? 
ATOM   404  C C   . THR A 1 54  ? -5.357  -14.044 -14.207 1.000 16.747 0 54  THR A C   1 ? 
ATOM   405  O O   . THR A 1 54  ? -5.768  -13.169 -13.455 1.000 17.162 0 54  THR A O   1 ? 
ATOM   406  C CB  . THR A 1 54  ? -4.712  -16.317 -13.337 1.000 16.689 0 54  THR A CB  1 ? 
ATOM   407  O OG1 . THR A 1 54  ? -5.476  -16.089 -12.151 1.000 18.480 0 54  THR A OG1 1 ? 
ATOM   408  C CG2 . THR A 1 54  ? -3.584  -17.293 -13.044 1.000 19.514 0 54  THR A CG2 1 ? 
ATOM   409  N N   . ASP A 1 55  ? -5.814  -14.263 -15.437 1.000 16.409 0 55  ASP A N   1 ? 
ATOM   410  C CA  . ASP A 1 55  ? -7.008  -13.621 -15.982 1.000 18.502 0 55  ASP A CA  1 ? 
ATOM   411  C C   . ASP A 1 55  ? -6.904  -12.108 -15.862 1.000 19.535 0 55  ASP A C   1 ? 
ATOM   412  O O   . ASP A 1 55  ? -7.730  -11.456 -15.199 1.000 19.546 0 55  ASP A O   1 ? 
ATOM   413  C CB  . ASP A 1 55  ? -8.269  -14.178 -15.340 1.000 20.905 0 55  ASP A CB  1 ? 
ATOM   414  C CG  . ASP A 1 55  ? -8.536  -15.630 -15.668 1.000 24.522 0 55  ASP A CG  1 ? 
ATOM   415  O OD1 . ASP A 1 55  ? -8.554  -15.926 -16.880 0.520 28.996 0 55  ASP A OD1 1 ? 
ATOM   416  O OD2 . ASP A 1 55  ? -8.634  -16.428 -14.720 0.640 27.700 0 55  ASP A OD2 1 ? 
ATOM   417  N N   . CYS A 1 56  ? -5.883  -11.521 -16.492 1.000 17.512 0 56  CYS A N   1 ? 
ATOM   418  C CA  . CYS A 1 56  ? -5.645  -10.093 -16.462 1.000 18.193 0 56  CYS A CA  1 ? 
ATOM   419  C C   . CYS A 1 56  ? -6.106  -9.446  -17.763 1.000 18.778 0 56  CYS A C   1 ? 
ATOM   420  O O   . CYS A 1 56  ? -6.062  -10.032 -18.844 1.000 21.771 0 56  CYS A O   1 ? 
ATOM   421  C CB  . CYS A 1 56  ? -4.154  -9.744  -16.355 1.000 17.366 0 56  CYS A CB  1 ? 
ATOM   422  S SG  . CYS A 1 56  ? -3.280  -10.494 -14.960 1.000 17.419 0 56  CYS A SG  1 ? 
ATOM   423  N N   . TYR A 1 57  ? -6.506  -8.184  -17.613 1.000 20.561 0 57  TYR A N   1 ? 
ATOM   424  C CA  A TYR A 1 57  ? -6.800  -7.273  -18.717 0.590 21.419 0 57  TYR A CA  1 ? 
ATOM   425  C CA  B TYR A 1 57  ? -6.755  -7.301  -18.737 0.410 23.503 0 57  TYR A CA  1 ? 
ATOM   426  C C   . TYR A 1 57  ? -6.035  -5.991  -18.469 1.000 23.339 0 57  TYR A C   1 ? 
ATOM   427  O O   . TYR A 1 57  ? -6.218  -5.378  -17.418 1.000 26.447 0 57  TYR A O   1 ? 
ATOM   428  C CB  A TYR A 1 57  ? -8.303  -6.959  -18.789 0.590 21.323 0 57  TYR A CB  1 ? 
ATOM   429  C CB  B TYR A 1 57  ? -8.236  -6.995  -18.968 0.410 26.204 0 57  TYR A CB  1 ? 
ATOM   430  C CG  A TYR A 1 57  ? -9.070  -8.202  -19.191 0.590 20.434 0 57  TYR A CG  1 ? 
ATOM   431  C CG  B TYR A 1 57  ? -8.370  -5.696  -19.744 0.410 29.691 0 57  TYR A CG  1 ? 
ATOM   432  C CD1 A TYR A 1 57  ? -9.481  -9.131  -18.245 0.590 20.768 0 57  TYR A CD1 1 ? 
ATOM   433  C CD1 B TYR A 1 57  ? -8.050  -5.643  -21.094 0.410 33.000 0 57  TYR A CD1 1 ? 
ATOM   434  C CD2 A TYR A 1 57  ? -9.169  -8.566  -20.538 0.590 25.287 0 57  TYR A CD2 1 ? 
ATOM   435  C CD2 B TYR A 1 57  ? -8.739  -4.517  -19.111 0.410 32.362 0 57  TYR A CD2 1 ? 
ATOM   436  C CE1 A TYR A 1 57  ? -10.110 -10.309 -18.610 0.590 23.851 0 57  TYR A CE1 1 ? 
ATOM   437  C CE1 B TYR A 1 57  ? -8.132  -4.459  -21.806 0.410 34.051 0 57  TYR A CE1 1 ? 
ATOM   438  C CE2 A TYR A 1 57  ? -9.790  -9.753  -20.913 0.590 26.683 0 57  TYR A CE2 1 ? 
ATOM   439  C CE2 B TYR A 1 57  ? -8.818  -3.325  -19.808 0.410 33.235 0 57  TYR A CE2 1 ? 
ATOM   440  C CZ  A TYR A 1 57  ? -10.262 -10.621 -19.952 0.590 27.184 0 57  TYR A CZ  1 ? 
ATOM   441  C CZ  B TYR A 1 57  ? -8.525  -3.301  -21.157 0.410 34.666 0 57  TYR A CZ  1 ? 
ATOM   442  O OH  A TYR A 1 57  ? -10.834 -11.820 -20.272 0.590 31.034 0 57  TYR A OH  1 ? 
ATOM   443  O OH  B TYR A 1 57  ? -8.626  -2.129  -21.840 0.410 40.606 0 57  TYR A OH  1 ? 
ATOM   444  N N   . PHE A 1 58  ? -5.221  -5.566  -19.446 1.000 24.507 0 58  PHE A N   1 ? 
ATOM   445  C CA  . PHE A 1 58  ? -4.452  -4.354  -19.354 1.000 25.632 0 58  PHE A CA  1 ? 
ATOM   446  C C   . PHE A 1 58  ? -4.711  -3.552  -20.621 1.000 29.311 0 58  PHE A C   1 ? 
ATOM   447  O O   . PHE A 1 58  ? -4.903  -4.137  -21.681 1.000 34.990 0 58  PHE A O   1 ? 
ATOM   448  C CB  . PHE A 1 58  ? -2.965  -4.656  -19.205 1.000 25.168 0 58  PHE A CB  1 ? 
ATOM   449  C CG  . PHE A 1 58  ? -2.630  -5.309  -17.876 1.000 23.174 0 58  PHE A CG  1 ? 
ATOM   450  C CD1 . PHE A 1 58  ? -2.727  -4.572  -16.706 1.000 24.138 0 58  PHE A CD1 1 ? 
ATOM   451  C CD2 . PHE A 1 58  ? -2.239  -6.637  -17.799 1.000 20.948 0 58  PHE A CD2 1 ? 
ATOM   452  C CE1 . PHE A 1 58  ? -2.472  -5.151  -15.485 1.000 22.863 0 58  PHE A CE1 1 ? 
ATOM   453  C CE2 . PHE A 1 58  ? -1.885  -7.176  -16.581 1.000 20.642 0 58  PHE A CE2 1 ? 
ATOM   454  C CZ  . PHE A 1 58  ? -2.055  -6.457  -15.425 1.000 22.254 0 58  PHE A CZ  1 ? 
ATOM   455  N N   . ASP A 1 59  ? -4.800  -2.239  -20.430 1.000 32.560 0 59  ASP A N   1 ? 
ATOM   456  C CA  . ASP A 1 59  ? -4.909  -1.293  -21.532 1.000 35.665 0 59  ASP A CA  1 ? 
ATOM   457  C C   . ASP A 1 59  ? -3.507  -0.955  -22.029 1.000 36.985 0 59  ASP A C   1 ? 
ATOM   458  O O   . ASP A 1 59  ? -2.500  -1.474  -21.550 1.000 38.819 0 59  ASP A O   1 ? 
ATOM   459  C CB  . ASP A 1 59  ? -5.711  -0.084  -21.089 1.000 34.663 0 59  ASP A CB  1 ? 
ATOM   460  C CG  . ASP A 1 59  ? -5.049  0.830   -20.079 1.000 38.126 0 59  ASP A CG  1 ? 
ATOM   461  O OD1 . ASP A 1 59  ? -3.811  0.772   -19.918 1.000 38.357 0 59  ASP A OD1 1 ? 
ATOM   462  O OD2 . ASP A 1 59  ? -5.781  1.572   -19.419 1.000 47.754 0 59  ASP A OD2 1 ? 
ATOM   463  N N   . ASP A 1 60  ? -3.444  -0.029  -22.999 1.000 47.056 0 60  ASP A N   1 ? 
ATOM   464  C CA  . ASP A 1 60  ? -2.176  0.398   -23.567 1.000 50.341 0 60  ASP A CA  1 ? 
ATOM   465  C C   . ASP A 1 60  ? -1.249  1.004   -22.518 1.000 44.260 0 60  ASP A C   1 ? 
ATOM   466  O O   . ASP A 1 60  ? -0.036  0.890   -22.660 1.000 54.315 0 60  ASP A O   1 ? 
ATOM   467  C CB  . ASP A 1 60  ? -2.374  1.369   -24.724 1.000 54.688 0 60  ASP A CB  1 ? 
ATOM   468  C CG  . ASP A 1 60  ? -2.513  0.711   -26.087 0.650 55.646 0 60  ASP A CG  1 ? 
ATOM   469  O OD1 . ASP A 1 60  ? -3.260  -0.291  -26.185 1.000 58.214 0 60  ASP A OD1 1 ? 
ATOM   470  O OD2 . ASP A 1 60  ? -1.875  1.212   -27.037 0.550 59.826 0 60  ASP A OD2 1 ? 
ATOM   471  N N   . SER A 1 61  ? -1.800  1.654   -21.484 1.000 43.136 0 61  SER A N   1 ? 
ATOM   472  C CA  . SER A 1 61  ? -0.986  2.321   -20.475 1.000 42.865 0 61  SER A CA  1 ? 
ATOM   473  C C   . SER A 1 61  ? -0.439  1.341   -19.425 1.000 41.789 0 61  SER A C   1 ? 
ATOM   474  O O   . SER A 1 61  ? 0.302   1.759   -18.546 1.000 39.970 0 61  SER A O   1 ? 
ATOM   475  C CB  . SER A 1 61  ? -1.751  3.464   -19.810 1.000 48.860 0 61  SER A CB  1 ? 
ATOM   476  O OG  . SER A 1 61  ? -2.711  3.018   -18.850 1.000 51.790 0 61  SER A OG  1 ? 
ATOM   477  N N   . GLY A 1 62  ? -0.818  0.057   -19.499 1.000 36.109 0 62  GLY A N   1 ? 
ATOM   478  C CA  . GLY A 1 62  ? -0.353  -0.945  -18.546 1.000 34.257 0 62  GLY A CA  1 ? 
ATOM   479  C C   . GLY A 1 62  ? -1.178  -0.937  -17.262 1.000 29.082 0 62  GLY A C   1 ? 
ATOM   480  O O   . GLY A 1 62  ? -0.673  -1.293  -16.211 1.000 27.208 0 62  GLY A O   1 ? 
ATOM   481  N N   . SER A 1 63  ? -2.428  -0.478  -17.374 1.000 28.132 0 63  SER A N   1 ? 
ATOM   482  C CA  A SER A 1 63  ? -3.357  -0.404  -16.254 0.590 28.504 0 63  SER A CA  1 ? 
ATOM   483  C CA  B SER A 1 63  ? -3.370  -0.378  -16.272 0.410 27.670 0 63  SER A CA  1 ? 
ATOM   484  C C   . SER A 1 63  ? -4.538  -1.327  -16.531 1.000 25.030 0 63  SER A C   1 ? 
ATOM   485  O O   . SER A 1 63  ? -5.020  -1.479  -17.653 1.000 27.359 0 63  SER A O   1 ? 
ATOM   486  C CB  A SER A 1 63  ? -3.811  1.022   -15.990 0.590 33.076 0 63  SER A CB  1 ? 
ATOM   487  C CB  B SER A 1 63  ? -3.839  1.053   -16.126 0.410 29.977 0 63  SER A CB  1 ? 
ATOM   488  O OG  A SER A 1 63  ? -2.770  1.786   -15.396 0.590 35.008 0 63  SER A OG  1 ? 
ATOM   489  O OG  B SER A 1 63  ? -4.561  1.224   -14.918 0.410 30.313 0 63  SER A OG  1 ? 
ATOM   490  N N   . GLY A 1 64  ? -5.013  -2.003  -15.487 1.000 23.638 0 64  GLY A N   1 ? 
ATOM   491  C CA  . GLY A 1 64  ? -6.072  -2.949  -15.668 1.000 23.435 0 64  GLY A CA  1 ? 
ATOM   492  C C   . GLY A 1 64  ? -6.367  -3.698  -14.375 1.000 21.410 0 64  GLY A C   1 ? 
ATOM   493  O O   . GLY A 1 64  ? -6.369  -3.126  -13.293 1.000 21.205 0 64  GLY A O   1 ? 
ATOM   494  N N   . ILE A 1 65  ? -6.615  -4.991  -14.523 1.000 19.601 0 65  ILE A N   1 ? 
ATOM   495  C CA  . ILE A 1 65  ? -7.043  -5.810  -13.407 1.000 17.739 0 65  ILE A CA  1 ? 
ATOM   496  C C   . ILE A 1 65  ? -6.677  -7.266  -13.702 1.000 18.631 0 65  ILE A C   1 ? 
ATOM   497  O O   . ILE A 1 65  ? -6.766  -7.738  -14.825 1.000 20.435 0 65  ILE A O   1 ? 
ATOM   498  C CB  . ILE A 1 65  ? -8.559  -5.647  -13.148 1.000 19.115 0 65  ILE A CB  1 ? 
ATOM   499  C CG1 . ILE A 1 65  ? -8.947  -6.403  -11.900 1.000 22.326 0 65  ILE A CG1 1 ? 
ATOM   500  C CG2 . ILE A 1 65  ? -9.389  -6.105  -14.354 1.000 22.387 0 65  ILE A CG2 1 ? 
ATOM   501  C CD1 . ILE A 1 65  ? -10.193 -5.882  -11.219 1.000 28.238 0 65  ILE A CD1 1 ? 
ATOM   502  N N   . CYS A 1 66  ? -6.382  -8.020  -12.635 1.000 16.747 0 66  CYS A N   1 ? 
ATOM   503  C CA  . CYS A 1 66  ? -6.216  -9.471  -12.698 1.000 16.011 0 66  CYS A CA  1 ? 
ATOM   504  C C   . CYS A 1 66  ? -7.067  -10.117 -11.607 1.000 15.802 0 66  CYS A C   1 ? 
ATOM   505  O O   . CYS A 1 66  ? -7.307  -9.527  -10.547 1.000 17.398 0 66  CYS A O   1 ? 
ATOM   506  C CB  . CYS A 1 66  ? -4.776  -9.891  -12.409 1.000 16.234 0 66  CYS A CB  1 ? 
ATOM   507  S SG  . CYS A 1 66  ? -3.544  -9.130  -13.492 0.920 16.330 0 66  CYS A SG  1 ? 
ATOM   508  N N   . LYS A 1 67  ? -7.503  -11.342 -11.854 1.000 17.312 0 67  LYS A N   1 ? 
ATOM   509  C CA  . LYS A 1 67  ? -8.346  -12.072 -10.917 1.000 16.938 0 67  LYS A CA  1 ? 
ATOM   510  C C   . LYS A 1 67  ? -7.570  -12.666 -9.757  1.000 18.329 0 67  LYS A C   1 ? 
ATOM   511  O O   . LYS A 1 67  ? -8.113  -12.898 -8.670  1.000 19.676 0 67  LYS A O   1 ? 
ATOM   512  C CB  . LYS A 1 67  ? -9.156  -13.168 -11.586 1.000 18.164 0 67  LYS A CB  1 ? 
ATOM   513  C CG  . LYS A 1 67  ? -10.230 -12.562 -12.444 1.000 22.097 0 67  LYS A CG  1 ? 
ATOM   514  C CD  . LYS A 1 67  ? -11.288 -13.551 -12.839 1.000 24.055 0 67  LYS A CD  1 ? 
ATOM   515  C CE  . LYS A 1 67  ? -12.256 -12.836 -13.725 1.000 28.216 0 67  LYS A CE  1 ? 
ATOM   516  N NZ  . LYS A 1 67  ? -13.159 -13.878 -14.169 1.000 32.522 0 67  LYS A NZ  1 ? 
ATOM   517  N N   . THR A 1 68  ? -6.266  -12.990 -9.933  1.000 15.482 0 68  THR A N   1 ? 
ATOM   518  C CA  . THR A 1 68  ? -5.427  -13.377 -8.833  1.000 16.101 0 68  THR A CA  1 ? 
ATOM   519  C C   . THR A 1 68  ? -4.144  -12.551 -8.915  1.000 15.646 0 68  THR A C   1 ? 
ATOM   520  O O   . THR A 1 68  ? -3.646  -12.280 -10.010 1.000 16.920 0 68  THR A O   1 ? 
ATOM   521  C CB  . THR A 1 68  ? -5.077  -14.871 -8.771  1.000 16.631 0 68  THR A CB  1 ? 
ATOM   522  O OG1 . THR A 1 68  ? -4.262  -15.270 -9.878  1.000 16.144 0 68  THR A OG1 1 ? 
ATOM   523  C CG2 . THR A 1 68  ? -6.302  -15.772 -8.670  1.000 17.515 0 68  THR A CG2 1 ? 
ATOM   524  N N   . GLY A 1 69  ? -3.608  -12.158 -7.752  1.000 15.311 0 69  GLY A N   1 ? 
ATOM   525  C CA  . GLY A 1 69  ? -2.321  -11.531 -7.658  1.000 14.764 0 69  GLY A CA  1 ? 
ATOM   526  C C   . GLY A 1 69  ? -2.245  -10.104 -8.177  1.000 15.011 0 69  GLY A C   1 ? 
ATOM   527  O O   . GLY A 1 69  ? -1.132  -9.619  -8.350  1.000 15.891 0 69  GLY A O   1 ? 
ATOM   528  N N   . ASP A 1 70  ? -3.363  -9.386  -8.358  1.000 15.634 0 70  ASP A N   1 ? 
ATOM   529  C CA  . ASP A 1 70  ? -3.320  -8.026  -8.851  1.000 15.579 0 70  ASP A CA  1 ? 
ATOM   530  C C   . ASP A 1 70  ? -2.496  -7.149  -7.914  1.000 16.949 0 70  ASP A C   1 ? 
ATOM   531  O O   . ASP A 1 70  ? -2.653  -7.234  -6.689  1.000 17.399 0 70  ASP A O   1 ? 
ATOM   532  C CB  . ASP A 1 70  ? -4.747  -7.500  -8.900  1.000 17.056 0 70  ASP A CB  1 ? 
ATOM   533  C CG  . ASP A 1 70  ? -4.846  -6.156  -9.572  1.000 22.052 0 70  ASP A CG  1 ? 
ATOM   534  O OD1 . ASP A 1 70  ? -4.630  -6.115  -10.766 1.000 25.099 0 70  ASP A OD1 1 ? 
ATOM   535  O OD2 . ASP A 1 70  ? -5.004  -5.160  -8.826  1.000 27.240 0 70  ASP A OD2 1 ? 
ATOM   536  N N   . CYS A 1 71  ? -1.633  -6.301  -8.489  1.000 16.831 0 71  CYS A N   1 ? 
ATOM   537  C CA  . CYS A 1 71  ? -0.767  -5.414  -7.714  1.000 19.259 0 71  CYS A CA  1 ? 
ATOM   538  C C   . CYS A 1 71  ? -1.125  -3.940  -7.956  1.000 21.459 0 71  CYS A C   1 ? 
ATOM   539  O O   . CYS A 1 71  ? -0.483  -3.255  -8.762  1.000 22.944 0 71  CYS A O   1 ? 
ATOM   540  C CB  . CYS A 1 71  ? 0.694   -5.653  -8.071  1.000 18.910 0 71  CYS A CB  1 ? 
ATOM   541  S SG  . CYS A 1 71  ? 1.067   -5.292  -9.799  1.000 20.054 0 71  CYS A SG  1 ? 
ATOM   542  N N   . GLY A 1 72  ? -2.316  -3.588  -7.482  1.000 20.774 0 72  GLY A N   1 ? 
ATOM   543  C CA  . GLY A 1 72  ? -2.861  -2.247  -7.641  1.000 24.431 0 72  GLY A CA  1 ? 
ATOM   544  C C   . GLY A 1 72  ? -3.179  -1.885  -9.084  1.000 23.371 0 72  GLY A C   1 ? 
ATOM   545  O O   . GLY A 1 72  ? -3.038  -0.724  -9.504  1.000 25.190 0 72  GLY A O   1 ? 
ATOM   546  N N   . GLY A 1 73  ? -3.561  -2.859  -9.897  1.000 21.362 0 73  GLY A N   1 ? 
ATOM   547  C CA  . GLY A 1 73  ? -4.016  -2.615  -11.241 1.000 21.528 0 73  GLY A CA  1 ? 
ATOM   548  C C   . GLY A 1 73  ? -2.916  -2.371  -12.270 1.000 22.424 0 73  GLY A C   1 ? 
ATOM   549  O O   . GLY A 1 73  ? -3.226  -1.955  -13.382 1.000 27.426 0 73  GLY A O   1 ? 
ATOM   550  N N   . LEU A 1 74  ? -1.658  -2.607  -11.933 1.000 21.350 0 74  LEU A N   1 ? 
ATOM   551  C CA  . LEU A 1 74  ? -0.535  -2.327  -12.838 1.000 21.972 0 74  LEU A CA  1 ? 
ATOM   552  C C   . LEU A 1 74  ? 0.018   -3.605  -13.476 1.000 21.443 0 74  LEU A C   1 ? 
ATOM   553  O O   . LEU A 1 74  ? 0.109   -4.651  -12.831 1.000 21.943 0 74  LEU A O   1 ? 
ATOM   554  C CB  . LEU A 1 74  ? 0.584   -1.625  -12.087 1.000 25.229 0 74  LEU A CB  1 ? 
ATOM   555  C CG  . LEU A 1 74  ? 0.221   -0.248  -11.519 1.000 30.709 0 74  LEU A CG  1 ? 
ATOM   556  C CD1 . LEU A 1 74  ? 1.437   0.346   -10.872 1.000 33.720 0 74  LEU A CD1 1 ? 
ATOM   557  C CD2 . LEU A 1 74  ? -0.332  0.661   -12.587 1.000 34.095 0 74  LEU A CD2 1 ? 
ATOM   558  N N   . LEU A 1 75  ? 0.385   -3.523  -14.738 1.000 20.558 0 75  LEU A N   1 ? 
ATOM   559  C CA  . LEU A 1 75  ? 1.137   -4.582  -15.401 1.000 20.537 0 75  LEU A CA  1 ? 
ATOM   560  C C   . LEU A 1 75  ? 2.486   -4.710  -14.730 1.000 21.076 0 75  LEU A C   1 ? 
ATOM   561  O O   . LEU A 1 75  ? 2.928   -5.801  -14.358 1.000 22.078 0 75  LEU A O   1 ? 
ATOM   562  C CB  . LEU A 1 75  ? 1.284   -4.310  -16.896 1.000 23.884 0 75  LEU A CB  1 ? 
ATOM   563  C CG  . LEU A 1 75  ? 2.190   -5.259  -17.692 1.000 26.546 0 75  LEU A CG  1 ? 
ATOM   564  C CD1 . LEU A 1 75  ? 1.766   -6.701  -17.629 1.000 27.476 0 75  LEU A CD1 1 ? 
ATOM   565  C CD2 . LEU A 1 75  ? 2.199   -4.775  -19.135 1.000 29.213 0 75  LEU A CD2 1 ? 
ATOM   566  N N   . ARG A 1 76  ? 3.161   -3.587  -14.512 1.000 22.685 0 76  ARG A N   1 ? 
ATOM   567  C CA  . ARG A 1 76  ? 4.491   -3.581  -13.969 1.000 22.548 0 76  ARG A CA  1 ? 
ATOM   568  C C   . ARG A 1 76  ? 4.370   -3.348  -12.478 1.000 24.822 0 76  ARG A C   1 ? 
ATOM   569  O O   . ARG A 1 76  ? 4.233   -2.225  -12.000 1.000 25.694 0 76  ARG A O   1 ? 
ATOM   570  C CB  . ARG A 1 76  ? 5.339   -2.502  -14.682 1.000 24.838 0 76  ARG A CB  1 ? 
ATOM   571  C CG  . ARG A 1 76  ? 5.671   -2.827  -16.126 1.000 29.951 0 76  ARG A CG  1 ? 
ATOM   572  C CD  . ARG A 1 76  ? 6.205   -1.597  -16.908 1.000 36.244 0 76  ARG A CD  1 ? 
ATOM   573  N NE  . ARG A 1 76  ? 7.200   -1.975  -17.917 0.410 44.437 0 76  ARG A NE  1 ? 
ATOM   574  C CZ  . ARG A 1 76  ? 6.982   -2.111  -19.220 0.480 52.862 0 76  ARG A CZ  1 ? 
ATOM   575  N NH1 . ARG A 1 76  ? 5.747   -2.177  -19.698 0.630 55.810 0 76  ARG A NH1 1 ? 
ATOM   576  N NH2 . ARG A 1 76  ? 8.012   -2.233  -20.039 0.800 58.132 0 76  ARG A NH2 1 ? 
ATOM   577  N N   . CYS A 1 77  ? 4.379   -4.425  -11.694 1.000 22.773 0 77  CYS A N   1 ? 
ATOM   578  C CA  . CYS A 1 77  ? 4.155   -4.308  -10.270 1.000 21.728 0 77  CYS A CA  1 ? 
ATOM   579  C C   . CYS A 1 77  ? 5.278   -3.585  -9.521  1.000 26.546 0 77  CYS A C   1 ? 
ATOM   580  O O   . CYS A 1 77  ? 6.462   -3.882  -9.710  1.000 27.079 0 77  CYS A O   1 ? 
ATOM   581  C CB  . CYS A 1 77  ? 4.017   -5.677  -9.607  1.000 20.999 0 77  CYS A CB  1 ? 
ATOM   582  S SG  . CYS A 1 77  ? 2.583   -6.602  -10.229 1.000 19.767 0 77  CYS A SG  1 ? 
ATOM   583  N N   . LYS A 1 78  ? 4.866   -2.681  -8.621  1.000 24.043 0 78  LYS A N   1 ? 
ATOM   584  C CA  . LYS A 1 78  ? 5.737   -2.012  -7.667  1.000 27.346 0 78  LYS A CA  1 ? 
ATOM   585  C C   . LYS A 1 78  ? 5.507   -2.565  -6.270  1.000 27.990 0 78  LYS A C   1 ? 
ATOM   586  O O   . LYS A 1 78  ? 6.395   -2.518  -5.425  1.000 36.225 0 78  LYS A O   1 ? 
ATOM   587  C CB  . LYS A 1 78  ? 5.448   -0.500  -7.744  1.000 34.060 0 78  LYS A CB  1 ? 
ATOM   588  C CG  . LYS A 1 78  ? 6.216   0.426   -6.812  0.470 40.699 0 78  LYS A CG  1 ? 
ATOM   589  C CD  . LYS A 1 78  ? 5.519   0.811   -5.511  0.430 45.475 0 78  LYS A CD  1 ? 
ATOM   590  C CE  . LYS A 1 78  ? 6.021   2.136   -5.018  0.730 51.355 0 78  LYS A CE  1 ? 
ATOM   591  N NZ  . LYS A 1 78  ? 5.820   2.301   -3.577  0.960 58.267 0 78  LYS A NZ  1 ? 
ATOM   592  N N   . ARG A 1 79  ? 4.324   -3.130  -6.025  1.000 25.088 0 79  ARG A N   1 ? 
ATOM   593  C CA  . ARG A 1 79  ? 3.986   -3.650  -4.722  1.000 24.153 0 79  ARG A CA  1 ? 
ATOM   594  C C   . ARG A 1 79  ? 3.528   -5.099  -4.865  1.000 20.676 0 79  ARG A C   1 ? 
ATOM   595  O O   . ARG A 1 79  ? 3.415   -5.590  -5.980  1.000 21.076 0 79  ARG A O   1 ? 
ATOM   596  C CB  . ARG A 1 79  ? 2.841   -2.865  -4.085  1.000 27.861 0 79  ARG A CB  1 ? 
ATOM   597  C CG  . ARG A 1 79  ? 1.531   -2.981  -4.832  1.000 33.527 0 79  ARG A CG  1 ? 
ATOM   598  C CD  . ARG A 1 79  ? 0.308   -2.522  -4.042  0.390 37.155 0 79  ARG A CD  1 ? 
ATOM   599  N NE  . ARG A 1 79  ? -0.804  -3.414  -4.384  0.470 42.367 0 79  ARG A NE  1 ? 
ATOM   600  C CZ  . ARG A 1 79  ? -1.240  -4.401  -3.612  0.250 43.401 0 79  ARG A CZ  1 ? 
ATOM   601  N NH1 . ARG A 1 79  ? -0.822  -4.487  -2.360  0.440 47.235 0 79  ARG A NH1 1 ? 
ATOM   602  N NH2 . ARG A 1 79  ? -2.098  -5.286  -4.093  1.000 45.719 0 79  ARG A NH2 1 ? 
ATOM   603  N N   . PHE A 1 80  ? 3.364   -5.772  -3.728  1.000 20.033 0 80  PHE A N   1 ? 
ATOM   604  C CA  . PHE A 1 80  ? 2.947   -7.157  -3.713  1.000 18.315 0 80  PHE A CA  1 ? 
ATOM   605  C C   . PHE A 1 80  ? 1.486   -7.277  -4.104  1.000 20.111 0 80  PHE A C   1 ? 
ATOM   606  O O   . PHE A 1 80  ? 0.697   -6.339  -4.166  1.000 24.032 0 80  PHE A O   1 ? 
ATOM   607  C CB  . PHE A 1 80  ? 3.157   -7.791  -2.350  1.000 19.526 0 80  PHE A CB  1 ? 
ATOM   608  C CG  . PHE A 1 80  ? 4.606   -7.901  -1.923  1.000 19.034 0 80  PHE A CG  1 ? 
ATOM   609  C CD1 . PHE A 1 80  ? 5.606   -8.234  -2.814  1.000 21.956 0 80  PHE A CD1 1 ? 
ATOM   610  C CD2 . PHE A 1 80  ? 4.953   -7.586  -0.611  1.000 22.849 0 80  PHE A CD2 1 ? 
ATOM   611  C CE1 . PHE A 1 80  ? 6.920   -8.340  -2.405  1.000 21.115 0 80  PHE A CE1 1 ? 
ATOM   612  C CE2 . PHE A 1 80  ? 6.275   -7.699  -0.204  1.000 23.443 0 80  PHE A CE2 1 ? 
ATOM   613  C CZ  . PHE A 1 80  ? 7.242   -8.066  -1.112  1.000 22.302 0 80  PHE A CZ  1 ? 
ATOM   614  N N   . GLY A 1 81  ? 1.169   -8.481  -4.536  1.000 18.411 0 81  GLY A N   1 ? 
ATOM   615  C CA  . GLY A 1 81  ? -0.127  -8.735  -5.150  1.000 18.183 0 81  GLY A CA  1 ? 
ATOM   616  C C   . GLY A 1 81  ? -1.173  -9.262  -4.160  1.000 15.974 0 81  GLY A C   1 ? 
ATOM   617  O O   . GLY A 1 81  ? -0.878  -9.755  -3.074  1.000 18.376 0 81  GLY A O   1 ? 
ATOM   618  N N   . ARG A 1 82  ? -2.419  -9.136  -4.609  1.000 16.308 0 82  ARG A N   1 ? 
ATOM   619  C CA  . ARG A 1 82  ? -3.558  -9.551  -3.818  1.000 17.683 0 82  ARG A CA  1 ? 
ATOM   620  C C   . ARG A 1 82  ? -3.631  -11.065 -3.787  1.000 15.714 0 82  ARG A C   1 ? 
ATOM   621  O O   . ARG A 1 82  ? -3.598  -11.715 -4.828  1.000 15.854 0 82  ARG A O   1 ? 
ATOM   622  C CB  . ARG A 1 82  ? -4.816  -8.948  -4.449  1.000 20.754 0 82  ARG A CB  1 ? 
ATOM   623  C CG  . ARG A 1 82  ? -6.102  -9.175  -3.670  1.000 26.875 0 82  ARG A CG  1 ? 
ATOM   624  C CD  . ARG A 1 82  ? -7.187  -8.279  -4.314  1.000 30.839 0 82  ARG A CD  1 ? 
ATOM   625  N NE  . ARG A 1 82  ? -8.415  -8.208  -3.521  0.700 35.591 0 82  ARG A NE  1 ? 
ATOM   626  C CZ  . ARG A 1 82  ? -9.402  -9.107  -3.540  1.000 32.706 0 82  ARG A CZ  1 ? 
ATOM   627  N NH1 . ARG A 1 82  ? -9.396  -10.062 -4.461  0.720 35.082 0 82  ARG A NH1 1 ? 
ATOM   628  N NH2 . ARG A 1 82  ? -10.327 -9.105  -2.601  0.430 31.133 0 82  ARG A NH2 1 ? 
ATOM   629  N N   . PRO A 1 83  ? -3.857  -11.689 -2.619  1.000 15.454 0 83  PRO A N   1 ? 
ATOM   630  C CA  . PRO A 1 83  ? -4.035  -13.124 -2.552  1.000 14.821 0 83  PRO A CA  1 ? 
ATOM   631  C C   . PRO A 1 83  ? -5.243  -13.563 -3.339  1.000 15.292 0 83  PRO A C   1 ? 
ATOM   632  O O   . PRO A 1 83  ? -6.199  -12.784 -3.480  1.000 17.278 0 83  PRO A O   1 ? 
ATOM   633  C CB  . PRO A 1 83  ? -4.246  -13.435 -1.074  1.000 17.014 0 83  PRO A CB  1 ? 
ATOM   634  C CG  . PRO A 1 83  ? -3.616  -12.281 -0.400  1.000 20.322 0 83  PRO A CG  1 ? 
ATOM   635  C CD  . PRO A 1 83  ? -3.797  -11.062 -1.283  1.000 18.418 0 83  PRO A CD  1 ? 
ATOM   636  N N   . PRO A 1 84  ? -5.309  -14.801 -3.815  1.000 15.110 0 84  PRO A N   1 ? 
ATOM   637  C CA  . PRO A 1 84  ? -4.352  -15.850 -3.525  1.000 13.347 0 84  PRO A CA  1 ? 
ATOM   638  C C   . PRO A 1 84  ? -3.177  -15.813 -4.503  1.000 14.480 0 84  PRO A C   1 ? 
ATOM   639  O O   . PRO A 1 84  ? -3.383  -15.711 -5.713  1.000 15.565 0 84  PRO A O   1 ? 
ATOM   640  C CB  . PRO A 1 84  ? -5.212  -17.098 -3.678  1.000 15.829 0 84  PRO A CB  1 ? 
ATOM   641  C CG  . PRO A 1 84  ? -6.246  -16.768 -4.688  1.000 18.708 0 84  PRO A CG  1 ? 
ATOM   642  C CD  . PRO A 1 84  ? -6.506  -15.298 -4.541  1.000 17.198 0 84  PRO A CD  1 ? 
ATOM   643  N N   . THR A 1 85  ? -1.976  -16.041 -3.993  1.000 14.203 0 85  THR A N   1 ? 
ATOM   644  C CA  . THR A 1 85  ? -0.778  -16.048 -4.806  1.000 13.471 0 85  THR A CA  1 ? 
ATOM   645  C C   . THR A 1 85  ? 0.210   -17.047 -4.242  1.000 13.987 0 85  THR A C   1 ? 
ATOM   646  O O   . THR A 1 85  ? 0.717   -16.861 -3.148  1.000 14.571 0 85  THR A O   1 ? 
ATOM   647  C CB  . THR A 1 85  ? -0.085  -14.684 -4.796  1.000 15.027 0 85  THR A CB  1 ? 
ATOM   648  O OG1 . THR A 1 85  ? 0.163   -14.297 -3.440  1.000 17.175 0 85  THR A OG1 1 ? 
ATOM   649  C CG2 . THR A 1 85  ? -0.827  -13.600 -5.547  1.000 16.107 0 85  THR A CG2 1 ? 
ATOM   650  N N   . THR A 1 86  ? 0.575   -18.073 -5.006  1.000 13.407 0 86  THR A N   1 ? 
ATOM   651  C CA  . THR A 1 86  ? 1.704   -18.909 -4.649  1.000 13.595 0 86  THR A CA  1 ? 
ATOM   652  C C   . THR A 1 86  ? 2.935   -18.001 -4.750  1.000 12.963 0 86  THR A C   1 ? 
ATOM   653  O O   . THR A 1 86  ? 3.055   -17.239 -5.720  1.000 15.360 0 86  THR A O   1 ? 
ATOM   654  C CB  . THR A 1 86  ? 1.866   -20.063 -5.628  1.000 13.726 0 86  THR A CB  1 ? 
ATOM   655  O OG1 . THR A 1 86  ? 0.559   -20.582 -5.910  1.000 14.177 0 86  THR A OG1 1 ? 
ATOM   656  C CG2 . THR A 1 86  ? 2.748   -21.141 -5.079  1.000 16.163 0 86  THR A CG2 1 ? 
ATOM   657  N N   . LEU A 1 87  ? 3.824   -17.999 -3.766  1.000 13.320 0 87  LEU A N   1 ? 
ATOM   658  C CA  . LEU A 1 87  ? 4.962   -17.087 -3.774  1.000 13.539 0 87  LEU A CA  1 ? 
ATOM   659  C C   . LEU A 1 87  ? 6.309   -17.800 -3.828  1.000 13.851 0 87  LEU A C   1 ? 
ATOM   660  O O   . LEU A 1 87  ? 6.581   -18.672 -2.998  1.000 15.155 0 87  LEU A O   1 ? 
ATOM   661  C CB  . LEU A 1 87  ? 4.910   -16.254 -2.488  1.000 14.646 0 87  LEU A CB  1 ? 
ATOM   662  C CG  . LEU A 1 87  ? 3.715   -15.298 -2.415  1.000 15.874 0 87  LEU A CG  1 ? 
ATOM   663  C CD1 . LEU A 1 87  ? 3.633   -14.690 -1.011  1.000 18.238 0 87  LEU A CD1 1 ? 
ATOM   664  C CD2 . LEU A 1 87  ? 3.785   -14.209 -3.462  1.000 18.033 0 87  LEU A CD2 1 ? 
ATOM   665  N N   . ALA A 1 88  ? 7.183   -17.322 -4.731  1.000 13.237 0 88  ALA A N   1 ? 
ATOM   666  C CA  . ALA A 1 88  ? 8.604   -17.613 -4.680  1.000 13.269 0 88  ALA A CA  1 ? 
ATOM   667  C C   . ALA A 1 88  ? 9.269   -16.430 -3.961  1.000 14.264 0 88  ALA A C   1 ? 
ATOM   668  O O   . ALA A 1 88  ? 9.062   -15.297 -4.355  1.000 18.187 0 88  ALA A O   1 ? 
ATOM   669  C CB  . ALA A 1 88  ? 9.166   -17.738 -6.069  1.000 15.192 0 88  ALA A CB  1 ? 
ATOM   670  N N   . GLU A 1 89  ? 9.942   -16.720 -2.851  1.000 14.119 0 89  GLU A N   1 ? 
ATOM   671  C CA  . GLU A 1 89  ? 10.492  -15.693 -1.992  1.000 14.579 0 89  GLU A CA  1 ? 
ATOM   672  C C   . GLU A 1 89  ? 11.999  -15.869 -1.858  1.000 15.696 0 89  GLU A C   1 ? 
ATOM   673  O O   . GLU A 1 89  ? 12.490  -16.997 -1.793  1.000 15.702 0 89  GLU A O   1 ? 
ATOM   674  C CB  . GLU A 1 89  ? 9.893   -15.838 -0.590  1.000 15.527 0 89  GLU A CB  1 ? 
ATOM   675  C CG  . GLU A 1 89  ? 8.362   -15.793 -0.588  1.000 16.418 0 89  GLU A CG  1 ? 
ATOM   676  C CD  . GLU A 1 89  ? 7.780   -15.873 0.805   1.000 17.205 0 89  GLU A CD  1 ? 
ATOM   677  O OE1 . GLU A 1 89  ? 8.143   -16.747 1.602   1.000 17.544 0 89  GLU A OE1 1 ? 
ATOM   678  O OE2 . GLU A 1 89  ? 6.942   -14.974 1.069   1.000 19.635 0 89  GLU A OE2 1 ? 
ATOM   679  N N   . PHE A 1 90  ? 12.695  -14.725 -1.848  1.000 15.895 0 90  PHE A N   1 ? 
ATOM   680  C CA  . PHE A 1 90  ? 14.152  -14.782 -1.809  1.000 16.663 0 90  PHE A CA  1 ? 
ATOM   681  C C   . PHE A 1 90  ? 14.746  -13.574 -1.135  1.000 15.919 0 90  PHE A C   1 ? 
ATOM   682  O O   . PHE A 1 90  ? 14.260  -12.469 -1.257  1.000 17.583 0 90  PHE A O   1 ? 
ATOM   683  C CB  . PHE A 1 90  ? 14.696  -15.010 -3.221  1.000 15.499 0 90  PHE A CB  1 ? 
ATOM   684  C CG  . PHE A 1 90  ? 14.185  -14.062 -4.267  1.000 16.614 0 90  PHE A CG  1 ? 
ATOM   685  C CD1 . PHE A 1 90  ? 12.996  -14.380 -4.915  1.000 17.886 0 90  PHE A CD1 1 ? 
ATOM   686  C CD2 . PHE A 1 90  ? 14.734  -12.823 -4.494  1.000 20.367 0 90  PHE A CD2 1 ? 
ATOM   687  C CE1 . PHE A 1 90  ? 12.433  -13.515 -5.816  1.000 19.860 0 90  PHE A CE1 1 ? 
ATOM   688  C CE2 . PHE A 1 90  ? 14.184  -11.987 -5.435  1.000 21.041 0 90  PHE A CE2 1 ? 
ATOM   689  C CZ  . PHE A 1 90  ? 13.025  -12.330 -6.075  1.000 21.772 0 90  PHE A CZ  1 ? 
ATOM   690  N N   . SER A 1 91  ? 15.884  -13.859 -0.495  1.000 17.946 0 91  SER A N   1 ? 
ATOM   691  C CA  . SER A 1 91  ? 16.777  -12.816 0.001   1.000 18.185 0 91  SER A CA  1 ? 
ATOM   692  C C   . SER A 1 91  ? 18.189  -13.176 -0.433  1.000 16.887 0 91  SER A C   1 ? 
ATOM   693  O O   . SER A 1 91  ? 18.581  -14.293 -0.196  1.000 20.335 0 91  SER A O   1 ? 
ATOM   694  C CB  . SER A 1 91  ? 16.658  -12.687 1.531   1.000 20.555 0 91  SER A CB  1 ? 
ATOM   695  O OG  . SER A 1 91  ? 15.379  -12.144 1.856   1.000 22.605 0 91  SER A OG  1 ? 
ATOM   696  N N   . LEU A 1 92  ? 18.849  -12.247 -1.120  1.000 18.128 0 92  LEU A N   1 ? 
ATOM   697  C CA  . LEU A 1 92  ? 20.114  -12.569 -1.775  1.000 18.105 0 92  LEU A CA  1 ? 
ATOM   698  C C   . LEU A 1 92  ? 21.288  -11.904 -1.033  1.000 18.482 0 92  LEU A C   1 ? 
ATOM   699  O O   . LEU A 1 92  ? 21.161  -10.790 -0.553  1.000 22.064 0 92  LEU A O   1 ? 
ATOM   700  C CB  . LEU A 1 92  ? 20.058  -12.097 -3.221  1.000 18.251 0 92  LEU A CB  1 ? 
ATOM   701  C CG  . LEU A 1 92  ? 18.816  -12.521 -4.024  1.000 20.450 0 92  LEU A CG  1 ? 
ATOM   702  C CD1 . LEU A 1 92  ? 18.940  -11.929 -5.376  1.000 22.881 0 92  LEU A CD1 1 ? 
ATOM   703  C CD2 . LEU A 1 92  ? 18.695  -13.972 -4.052  1.000 20.662 0 92  LEU A CD2 1 ? 
ATOM   704  N N   . ASN A 1 93  ? 22.396  -12.624 -0.986  1.000 20.179 0 93  ASN A N   1 ? 
ATOM   705  C CA  . ASN A 1 93  ? 23.668  -12.066 -0.484  1.000 20.905 0 93  ASN A CA  1 ? 
ATOM   706  C C   . ASN A 1 93  ? 23.526  -11.579 0.958   1.000 21.704 0 93  ASN A C   1 ? 
ATOM   707  O O   . ASN A 1 93  ? 23.866  -10.446 1.293   1.000 24.417 0 93  ASN A O   1 ? 
ATOM   708  C CB  . ASN A 1 93  ? 24.191  -10.938 -1.373  1.000 21.325 0 93  ASN A CB  1 ? 
ATOM   709  C CG  . ASN A 1 93  ? 24.267  -11.354 -2.820  1.000 23.021 0 93  ASN A CG  1 ? 
ATOM   710  O OD1 . ASN A 1 93  ? 23.383  -10.972 -3.590  1.000 22.832 0 93  ASN A OD1 1 ? 
ATOM   711  N ND2 . ASN A 1 93  ? 25.288  -12.110 -3.198  1.000 25.283 0 93  ASN A ND2 1 ? 
ATOM   712  N N   . GLN A 1 94  ? 22.938  -12.422 1.799   1.000 22.088 0 94  GLN A N   1 ? 
ATOM   713  C CA  . GLN A 1 94  ? 22.763  -12.135 3.212   1.000 23.856 0 94  GLN A CA  1 ? 
ATOM   714  C C   . GLN A 1 94  ? 23.869  -12.856 3.955   1.000 22.291 0 94  GLN A C   1 ? 
ATOM   715  O O   . GLN A 1 94  ? 23.864  -14.062 4.151   1.000 22.172 0 94  GLN A O   1 ? 
ATOM   716  C CB  . GLN A 1 94  ? 21.397  -12.642 3.671   1.000 24.211 0 94  GLN A CB  1 ? 
ATOM   717  C CG  . GLN A 1 94  ? 20.271  -12.037 2.853   1.000 28.893 0 94  GLN A CG  1 ? 
ATOM   718  C CD  . GLN A 1 94  ? 20.133  -10.548 3.053   1.000 32.852 0 94  GLN A CD  1 ? 
ATOM   719  O OE1 . GLN A 1 94  ? 20.047  -10.052 4.187   1.000 38.085 0 94  GLN A OE1 1 ? 
ATOM   720  N NE2 . GLN A 1 94  ? 20.105  -9.795  1.964   1.000 32.629 0 94  GLN A NE2 1 ? 
ATOM   721  N N   . TYR A 1 95  ? 24.916  -12.083 4.262   1.000 24.526 0 95  TYR A N   1 ? 
ATOM   722  C CA  . TYR A 1 95  ? 26.095  -12.643 4.926   1.000 24.721 0 95  TYR A CA  1 ? 
ATOM   723  C C   . TYR A 1 95  ? 26.668  -13.842 4.191   1.000 24.376 0 95  TYR A C   1 ? 
ATOM   724  O O   . TYR A 1 95  ? 26.984  -14.871 4.770   1.000 27.595 0 95  TYR A O   1 ? 
ATOM   725  C CB  . TYR A 1 95  ? 25.849  -12.950 6.410   1.000 25.956 0 95  TYR A CB  1 ? 
ATOM   726  C CG  . TYR A 1 95  ? 25.373  -11.720 7.154   1.000 31.712 0 95  TYR A CG  1 ? 
ATOM   727  C CD1 . TYR A 1 95  ? 26.263  -10.759 7.632   1.000 36.472 0 95  TYR A CD1 1 ? 
ATOM   728  C CD2 . TYR A 1 95  ? 24.018  -11.538 7.421   1.000 37.674 0 95  TYR A CD2 1 ? 
ATOM   729  C CE1 . TYR A 1 95  ? 25.812  -9.641  8.323   1.000 42.735 0 95  TYR A CE1 1 ? 
ATOM   730  C CE2 . TYR A 1 95  ? 23.553  -10.419 8.093   1.000 40.381 0 95  TYR A CE2 1 ? 
ATOM   731  C CZ  . TYR A 1 95  ? 24.453  -9.476  8.562   1.000 48.297 0 95  TYR A CZ  1 ? 
ATOM   732  O OH  . TYR A 1 95  ? 23.956  -8.403  9.248   1.000 46.639 0 95  TYR A OH  1 ? 
ATOM   733  N N   . GLY A 1 96  ? 26.795  -13.741 2.856   1.000 23.735 0 96  GLY A N   1 ? 
ATOM   734  C CA  . GLY A 1 96  ? 27.417  -14.784 2.067   1.000 25.950 0 96  GLY A CA  1 ? 
ATOM   735  C C   . GLY A 1 96  ? 26.465  -15.827 1.462   1.000 26.131 0 96  GLY A C   1 ? 
ATOM   736  O O   . GLY A 1 96  ? 26.879  -16.739 0.747   1.000 26.578 0 96  GLY A O   1 ? 
ATOM   737  N N   . LYS A 1 97  ? 25.179  -15.744 1.817   1.000 23.780 0 97  LYS A N   1 ? 
ATOM   738  C CA  . LYS A 1 97  ? 24.253  -16.817 1.455   1.000 24.126 0 97  LYS A CA  1 ? 
ATOM   739  C C   . LYS A 1 97  ? 23.010  -16.206 0.818   1.000 21.237 0 97  LYS A C   1 ? 
ATOM   740  O O   . LYS A 1 97  ? 22.608  -15.101 1.110   1.000 21.835 0 97  LYS A O   1 ? 
ATOM   741  C CB  . LYS A 1 97  ? 23.905  -17.635 2.701   1.000 30.234 0 97  LYS A CB  1 ? 
ATOM   742  C CG  . LYS A 1 97  ? 25.058  -18.488 3.289   1.000 33.073 0 97  LYS A CG  1 ? 
ATOM   743  C CD  . LYS A 1 97  ? 25.583  -19.524 2.309   1.000 41.124 0 97  LYS A CD  1 ? 
ATOM   744  C CE  . LYS A 1 97  ? 26.547  -20.556 2.841   1.000 47.431 0 97  LYS A CE  1 ? 
ATOM   745  N NZ  . LYS A 1 97  ? 26.931  -21.435 1.727   1.000 50.232 0 97  LYS A NZ  1 ? 
ATOM   746  N N   . ASP A 1 98  ? 22.390  -16.987 -0.057  1.000 22.163 0 98  ASP A N   1 ? 
ATOM   747  C CA  . ASP A 1 98  ? 21.052  -16.670 -0.540  1.000 20.648 0 98  ASP A CA  1 ? 
ATOM   748  C C   . ASP A 1 98  ? 20.047  -17.607 0.140   1.000 18.816 0 98  ASP A C   1 ? 
ATOM   749  O O   . ASP A 1 98  ? 20.338  -18.753 0.443   1.000 19.871 0 98  ASP A O   1 ? 
ATOM   750  C CB  . ASP A 1 98  ? 20.966  -16.963 -2.033  1.000 20.089 0 98  ASP A CB  1 ? 
ATOM   751  C CG  . ASP A 1 98  ? 21.735  -16.074 -2.991  1.000 22.271 0 98  ASP A CG  1 ? 
ATOM   752  O OD1 . ASP A 1 98  ? 22.328  -15.042 -2.569  1.000 20.284 0 98  ASP A OD1 1 ? 
ATOM   753  O OD2 . ASP A 1 98  ? 21.660  -16.387 -4.220  1.000 20.701 0 98  ASP A OD2 1 ? 
ATOM   754  N N   . TYR A 1 99  ? 18.816  -17.091 0.367   1.000 18.867 0 99  TYR A N   1 ? 
ATOM   755  C CA  . TYR A 1 99  ? 17.772  -17.885 0.991   1.000 19.753 0 99  TYR A CA  1 ? 
ATOM   756  C C   . TYR A 1 99  ? 16.529  -17.895 0.096   1.000 17.241 0 99  TYR A C   1 ? 
ATOM   757  O O   . TYR A 1 99  ? 16.057  -16.808 -0.261  1.000 20.802 0 99  TYR A O   1 ? 
ATOM   758  C CB  . TYR A 1 99  ? 17.426  -17.323 2.351   1.000 21.269 0 99  TYR A CB  1 ? 
ATOM   759  C CG  . TYR A 1 99  ? 18.562  -17.379 3.349   1.000 22.971 0 99  TYR A CG  1 ? 
ATOM   760  C CD1 . TYR A 1 99  ? 18.854  -18.569 3.973   1.000 24.130 0 99  TYR A CD1 1 ? 
ATOM   761  C CD2 . TYR A 1 99  ? 19.440  -16.322 3.482   1.000 26.322 0 99  TYR A CD2 1 ? 
ATOM   762  C CE1 . TYR A 1 99  ? 19.935  -18.681 4.837   1.000 27.725 0 99  TYR A CE1 1 ? 
ATOM   763  C CE2 . TYR A 1 99  ? 20.508  -16.404 4.365   1.000 26.583 0 99  TYR A CE2 1 ? 
ATOM   764  C CZ  . TYR A 1 99  ? 20.743  -17.582 5.039   1.000 27.957 0 99  TYR A CZ  1 ? 
ATOM   765  O OH  . TYR A 1 99  ? 21.789  -17.686 5.922   1.000 31.360 0 99  TYR A OH  1 ? 
ATOM   766  N N   . ILE A 1 100 ? 16.050  -19.085 -0.224  1.000 17.087 0 100 ILE A N   1 ? 
ATOM   767  C CA  . ILE A 1 100 ? 14.871  -19.196 -1.110  1.000 17.049 0 100 ILE A CA  1 ? 
ATOM   768  C C   . ILE A 1 100 ? 13.832  -20.087 -0.446  1.000 17.155 0 100 ILE A C   1 ? 
ATOM   769  O O   . ILE A 1 100 ? 14.104  -21.020 0.309   1.000 18.342 0 100 ILE A O   1 ? 
ATOM   770  C CB  . ILE A 1 100 ? 15.238  -19.725 -2.503  1.000 18.792 0 100 ILE A CB  1 ? 
ATOM   771  C CG1 . ILE A 1 100 ? 15.646  -21.169 -2.483  1.000 19.589 0 100 ILE A CG1 1 ? 
ATOM   772  C CG2 . ILE A 1 100 ? 16.279  -18.799 -3.117  1.000 20.951 0 100 ILE A CG2 1 ? 
ATOM   773  C CD1 . ILE A 1 100 ? 15.785  -21.812 -3.859  1.000 23.341 0 100 ILE A CD1 1 ? 
ATOM   774  N N   . ASP A 1 101 ? 12.565  -19.811 -0.769  1.000 15.775 0 101 ASP A N   1 ? 
ATOM   775  C CA  . ASP A 1 101 ? 11.473  -20.652 -0.297  1.000 15.667 0 101 ASP A CA  1 ? 
ATOM   776  C C   . ASP A 1 101 ? 10.281  -20.440 -1.231  1.000 14.898 0 101 ASP A C   1 ? 
ATOM   777  O O   . ASP A 1 101 ? 10.227  -19.481 -1.994  1.000 15.226 0 101 ASP A O   1 ? 
ATOM   778  C CB  . ASP A 1 101 ? 11.071  -20.368 1.148   1.000 17.191 0 101 ASP A CB  1 ? 
ATOM   779  C CG  . ASP A 1 101 ? 10.482  -18.993 1.379   1.000 18.442 0 101 ASP A CG  1 ? 
ATOM   780  O OD1 . ASP A 1 101 ? 9.276   -18.813 1.078   1.000 17.113 0 101 ASP A OD1 1 ? 
ATOM   781  O OD2 . ASP A 1 101 ? 11.170  -18.066 1.779   1.000 20.824 0 101 ASP A OD2 1 ? 
ATOM   782  N N   . ILE A 1 102 ? 9.344   -21.384 -1.136  1.000 14.569 0 102 ILE A N   1 ? 
ATOM   783  C CA  . ILE A 1 102 ? 7.997   -21.176 -1.635  1.000 14.630 0 102 ILE A CA  1 ? 
ATOM   784  C C   . ILE A 1 102 ? 7.061   -21.107 -0.444  1.000 14.777 0 102 ILE A C   1 ? 
ATOM   785  O O   . ILE A 1 102 ? 7.244   -21.794 0.552   1.000 15.275 0 102 ILE A O   1 ? 
ATOM   786  C CB  . ILE A 1 102 ? 7.570   -22.273 -2.602  1.000 16.400 0 102 ILE A CB  1 ? 
ATOM   787  C CG1 . ILE A 1 102 ? 8.396   -22.188 -3.904  1.000 18.621 0 102 ILE A CG1 1 ? 
ATOM   788  C CG2 . ILE A 1 102 ? 6.068   -22.196 -2.930  1.000 18.929 0 102 ILE A CG2 1 ? 
ATOM   789  C CD1 . ILE A 1 102 ? 8.243   -23.404 -4.794  1.000 21.119 0 102 ILE A CD1 1 ? 
ATOM   790  N N   . SER A 1 103 ? 6.095   -20.211 -0.579  1.000 13.070 0 103 SER A N   1 ? 
ATOM   791  C CA  . SER A 1 103 ? 5.123   -19.954 0.483   1.000 13.664 0 103 SER A CA  1 ? 
ATOM   792  C C   . SER A 1 103 ? 3.705   -20.053 -0.042  1.000 13.899 0 103 SER A C   1 ? 
ATOM   793  O O   . SER A 1 103 ? 3.387   -19.472 -1.075  1.000 14.583 0 103 SER A O   1 ? 
ATOM   794  C CB  . SER A 1 103 ? 5.370   -18.629 1.059   1.000 14.714 0 103 SER A CB  1 ? 
ATOM   795  O OG  . SER A 1 103 ? 4.399   -18.315 2.069   1.000 16.745 0 103 SER A OG  1 ? 
ATOM   796  N N   . ASN A 1 104 ? 2.843   -20.704 0.765   1.000 14.088 0 104 ASN A N   1 ? 
ATOM   797  C CA  . ASN A 1 104 ? 1.398   -20.692 0.647   1.000 13.964 0 104 ASN A CA  1 ? 
ATOM   798  C C   . ASN A 1 104 ? 0.743   -19.839 1.728   1.000 14.156 0 104 ASN A C   1 ? 
ATOM   799  O O   . ASN A 1 104 ? -0.489  -19.924 1.904   1.000 14.955 0 104 ASN A O   1 ? 
ATOM   800  C CB  . ASN A 1 104 ? 0.798   -22.094 0.667   1.000 14.794 0 104 ASN A CB  1 ? 
ATOM   801  C CG  . ASN A 1 104 ? 1.122   -22.897 -0.559  1.000 16.323 0 104 ASN A CG  1 ? 
ATOM   802  O OD1 . ASN A 1 104 ? 1.089   -22.373 -1.669  1.000 18.129 0 104 ASN A OD1 1 ? 
ATOM   803  N ND2 . ASN A 1 104 ? 1.448   -24.152 -0.402  1.000 17.042 0 104 ASN A ND2 1 ? 
ATOM   804  N N   . ILE A 1 105 ? 1.496   -18.976 2.396   1.000 13.722 0 105 ILE A N   1 ? 
ATOM   805  C CA  . ILE A 1 105 ? 0.919   -18.158 3.490   1.000 14.311 0 105 ILE A CA  1 ? 
ATOM   806  C C   . ILE A 1 105 ? -0.108  -17.195 2.938   1.000 14.418 0 105 ILE A C   1 ? 
ATOM   807  O O   . ILE A 1 105 ? -1.016  -16.782 3.674   1.000 15.620 0 105 ILE A O   1 ? 
ATOM   808  C CB  . ILE A 1 105 ? 2.061   -17.468 4.261   1.000 15.262 0 105 ILE A CB  1 ? 
ATOM   809  C CG1 . ILE A 1 105 ? 2.842   -18.483 5.039   1.000 16.919 0 105 ILE A CG1 1 ? 
ATOM   810  C CG2 . ILE A 1 105 ? 1.562   -16.357 5.171   1.000 18.500 0 105 ILE A CG2 1 ? 
ATOM   811  C CD1 . ILE A 1 105 ? 4.154   -17.987 5.600   1.000 19.105 0 105 ILE A CD1 1 ? 
ATOM   812  N N   . LYS A 1 106 ? 0.011   -16.791 1.674   1.000 13.145 0 106 LYS A N   1 ? 
ATOM   813  C CA  . LYS A 1 106 ? -0.921  -15.889 0.996   1.000 13.769 0 106 LYS A CA  1 ? 
ATOM   814  C C   . LYS A 1 106 ? -1.727  -16.677 -0.035  1.000 13.768 0 106 LYS A C   1 ? 
ATOM   815  O O   . LYS A 1 106 ? -2.214  -16.096 -1.002  1.000 16.029 0 106 LYS A O   1 ? 
ATOM   816  C CB  . LYS A 1 106 ? -0.188  -14.686 0.375   1.000 16.610 0 106 LYS A CB  1 ? 
ATOM   817  C CG  . LYS A 1 106 ? 0.551   -13.812 1.360   1.000 20.649 0 106 LYS A CG  1 ? 
ATOM   818  C CD  . LYS A 1 106 ? -0.476  -13.039 2.163   1.000 27.706 0 106 LYS A CD  1 ? 
ATOM   819  C CE  . LYS A 1 106 ? 0.194   -11.971 2.979   1.000 32.268 0 106 LYS A CE  1 ? 
ATOM   820  N NZ  . LYS A 1 106 ? -0.854  -11.387 3.807   1.000 36.462 0 106 LYS A NZ  1 ? 
ATOM   821  N N   . GLY A 1 107 ? -1.914  -17.970 0.216   1.000 13.457 0 107 GLY A N   1 ? 
ATOM   822  C CA  . GLY A 1 107 ? -2.728  -18.794 -0.627  1.000 13.763 0 107 GLY A CA  1 ? 
ATOM   823  C C   . GLY A 1 107 ? -1.969  -19.343 -1.839  1.000 14.217 0 107 GLY A C   1 ? 
ATOM   824  O O   . GLY A 1 107 ? -0.754  -19.223 -1.925  1.000 16.535 0 107 GLY A O   1 ? 
ATOM   825  N N   . PHE A 1 108 ? -2.729  -19.927 -2.736  1.000 13.099 0 108 PHE A N   1 ? 
ATOM   826  C CA  . PHE A 1 108 ? -2.176  -20.638 -3.880  1.000 13.783 0 108 PHE A CA  1 ? 
ATOM   827  C C   . PHE A 1 108 ? -3.020  -20.279 -5.079  1.000 15.015 0 108 PHE A C   1 ? 
ATOM   828  O O   . PHE A 1 108 ? -4.240  -20.312 -5.036  1.000 15.478 0 108 PHE A O   1 ? 
ATOM   829  C CB  . PHE A 1 108 ? -2.188  -22.130 -3.620  1.000 14.264 0 108 PHE A CB  1 ? 
ATOM   830  C CG  . PHE A 1 108 ? -1.703  -22.996 -4.759  1.000 13.535 0 108 PHE A CG  1 ? 
ATOM   831  C CD1 . PHE A 1 108 ? -2.574  -23.278 -5.792  1.000 15.505 0 108 PHE A CD1 1 ? 
ATOM   832  C CD2 . PHE A 1 108 ? -0.439  -23.530 -4.740  1.000 14.976 0 108 PHE A CD2 1 ? 
ATOM   833  C CE1 . PHE A 1 108 ? -2.140  -24.109 -6.836  1.000 16.459 0 108 PHE A CE1 1 ? 
ATOM   834  C CE2 . PHE A 1 108 ? -0.039  -24.399 -5.744  1.000 17.135 0 108 PHE A CE2 1 ? 
ATOM   835  C CZ  . PHE A 1 108 ? -0.890  -24.668 -6.784  1.000 16.652 0 108 PHE A CZ  1 ? 
ATOM   836  N N   . ASN A 1 109 ? -2.378  -19.944 -6.203  1.000 13.775 0 109 ASN A N   1 ? 
ATOM   837  C CA  . ASN A 1 109 ? -3.087  -19.802 -7.469  1.000 13.784 0 109 ASN A CA  1 ? 
ATOM   838  C C   . ASN A 1 109 ? -2.527  -20.677 -8.574  1.000 15.114 0 109 ASN A C   1 ? 
ATOM   839  O O   . ASN A 1 109 ? -3.325  -21.306 -9.274  1.000 16.962 0 109 ASN A O   1 ? 
ATOM   840  C CB  . ASN A 1 109 ? -3.141  -18.349 -7.893  1.000 13.795 0 109 ASN A CB  1 ? 
ATOM   841  C CG  . ASN A 1 109 ? -1.818  -17.658 -8.150  1.000 14.154 0 109 ASN A CG  1 ? 
ATOM   842  O OD1 . ASN A 1 109 ? -0.770  -18.121 -7.701  1.000 14.161 0 109 ASN A OD1 1 ? 
ATOM   843  N ND2 . ASN A 1 109 ? -1.904  -16.576 -8.903  1.000 14.551 0 109 ASN A ND2 1 ? 
ATOM   844  N N   . VAL A 1 110 ? -1.215  -20.766 -8.705  1.000 14.051 0 110 VAL A N   1 ? 
ATOM   845  C CA  A VAL A 1 110 ? -0.589  -21.487 -9.805  0.800 14.612 0 110 VAL A CA  1 ? 
ATOM   846  C CA  B VAL A 1 110 ? -0.600  -21.491 -9.810  0.200 14.248 0 110 VAL A CA  1 ? 
ATOM   847  C C   . VAL A 1 110 ? 0.486   -22.369 -9.213  1.000 13.994 0 110 VAL A C   1 ? 
ATOM   848  O O   . VAL A 1 110 ? 1.256   -21.919 -8.315  1.000 15.476 0 110 VAL A O   1 ? 
ATOM   849  C CB  A VAL A 1 110 ? 0.009   -20.463 -10.798 0.800 16.869 0 110 VAL A CB  1 ? 
ATOM   850  C CB  B VAL A 1 110 ? -0.008  -20.568 -10.900 0.200 14.511 0 110 VAL A CB  1 ? 
ATOM   851  C CG1 A VAL A 1 110 ? 0.941   -21.059 -11.846 0.800 19.818 0 110 VAL A CG1 1 ? 
ATOM   852  C CG1 B VAL A 1 110 ? 1.270   -19.880 -10.444 0.200 14.408 0 110 VAL A CG1 1 ? 
ATOM   853  C CG2 A VAL A 1 110 ? -1.064  -19.596 -11.461 0.800 16.801 0 110 VAL A CG2 1 ? 
ATOM   854  C CG2 B VAL A 1 110 ? 0.285   -21.275 -12.218 0.200 15.093 0 110 VAL A CG2 1 ? 
ATOM   855  N N   . PRO A 1 111 ? 0.677   -23.606 -9.675  1.000 13.857 0 111 PRO A N   1 ? 
ATOM   856  C CA  . PRO A 1 111 ? 1.757   -24.445 -9.180  1.000 14.463 0 111 PRO A CA  1 ? 
ATOM   857  C C   . PRO A 1 111 ? 3.120   -23.901 -9.647  1.000 14.208 0 111 PRO A C   1 ? 
ATOM   858  O O   . PRO A 1 111 ? 3.186   -23.261 -10.693 1.000 14.239 0 111 PRO A O   1 ? 
ATOM   859  C CB  . PRO A 1 111 ? 1.492   -25.822 -9.788  1.000 16.440 0 111 PRO A CB  1 ? 
ATOM   860  C CG  . PRO A 1 111 ? 0.635   -25.523 -10.941 1.000 18.819 0 111 PRO A CG  1 ? 
ATOM   861  C CD  . PRO A 1 111 ? -0.160  -24.269 -10.700 1.000 15.537 0 111 PRO A CD  1 ? 
ATOM   862  N N   . MET A 1 112 ? 4.162   -24.181 -8.885  1.000 14.564 0 112 MET A N   1 ? 
ATOM   863  C CA  . MET A 1 112 ? 5.452   -23.527 -9.086  1.000 15.696 0 112 MET A CA  1 ? 
ATOM   864  C C   . MET A 1 112 ? 6.595   -24.413 -8.659  1.000 15.867 0 112 MET A C   1 ? 
ATOM   865  O O   . MET A 1 112 ? 6.493   -25.148 -7.681  1.000 15.635 0 112 MET A O   1 ? 
ATOM   866  C CB  . MET A 1 112 ? 5.426   -22.233 -8.247  1.000 22.034 0 112 MET A CB  1 ? 
ATOM   867  C CG  . MET A 1 112 ? 6.713   -21.467 -8.171  1.000 25.634 0 112 MET A CG  1 ? 
ATOM   868  S SD  . MET A 1 112 ? 6.496   -20.241 -6.858  1.000 22.762 0 112 MET A SD  1 ? 
ATOM   869  C CE  . MET A 1 112 ? 5.479   -19.053 -7.702  1.000 23.630 0 112 MET A CE  1 ? 
ATOM   870  N N   . ASP A 1 113 ? 7.691   -24.352 -9.400  1.000 15.305 0 113 ASP A N   1 ? 
ATOM   871  C CA  . ASP A 1 113 ? 8.997   -24.859 -9.048  1.000 16.293 0 113 ASP A CA  1 ? 
ATOM   872  C C   . ASP A 1 113 ? 9.941   -23.681 -8.939  1.000 15.077 0 113 ASP A C   1 ? 
ATOM   873  O O   . ASP A 1 113 ? 9.900   -22.790 -9.792  1.000 16.578 0 113 ASP A O   1 ? 
ATOM   874  C CB  . ASP A 1 113 ? 9.508   -25.844 -10.083 1.000 18.019 0 113 ASP A CB  1 ? 
ATOM   875  C CG  . ASP A 1 113 ? 10.845  -26.459 -9.719  1.000 20.740 0 113 ASP A CG  1 ? 
ATOM   876  O OD1 . ASP A 1 113 ? 10.863  -27.527 -9.104  1.000 21.358 0 113 ASP A OD1 1 ? 
ATOM   877  O OD2 . ASP A 1 113 ? 11.842  -25.794 -10.001 1.000 21.896 0 113 ASP A OD2 1 ? 
ATOM   878  N N   . PHE A 1 114 ? 10.787  -23.651 -7.914  1.000 15.866 0 114 PHE A N   1 ? 
ATOM   879  C CA  . PHE A 1 114 ? 11.772  -22.607 -7.759  1.000 15.522 0 114 PHE A CA  1 ? 
ATOM   880  C C   . PHE A 1 114 ? 13.105  -23.287 -7.486  1.000 17.243 0 114 PHE A C   1 ? 
ATOM   881  O O   . PHE A 1 114 ? 13.293  -23.892 -6.422  1.000 18.418 0 114 PHE A O   1 ? 
ATOM   882  C CB  . PHE A 1 114 ? 11.341  -21.736 -6.583  1.000 15.907 0 114 PHE A CB  1 ? 
ATOM   883  C CG  . PHE A 1 114 ? 12.162  -20.507 -6.276  1.000 15.649 0 114 PHE A CG  1 ? 
ATOM   884  C CD1 . PHE A 1 114 ? 13.132  -19.992 -7.131  1.000 18.429 0 114 PHE A CD1 1 ? 
ATOM   885  C CD2 . PHE A 1 114 ? 11.939  -19.838 -5.097  1.000 16.417 0 114 PHE A CD2 1 ? 
ATOM   886  C CE1 . PHE A 1 114 ? 13.842  -18.850 -6.817  1.000 18.933 0 114 PHE A CE1 1 ? 
ATOM   887  C CE2 . PHE A 1 114 ? 12.629  -18.692 -4.804  1.000 17.951 0 114 PHE A CE2 1 ? 
ATOM   888  C CZ  . PHE A 1 114 ? 13.562  -18.166 -5.660  1.000 18.177 0 114 PHE A CZ  1 ? 
ATOM   889  N N   . SER A 1 115 ? 13.996  -23.222 -8.469  1.000 16.081 0 115 SER A N   1 ? 
ATOM   890  C CA  . SER A 1 115 ? 15.212  -24.025 -8.441  1.000 18.417 0 115 SER A CA  1 ? 
ATOM   891  C C   . SER A 1 115 ? 16.394  -23.146 -8.817  1.000 18.036 0 115 SER A C   1 ? 
ATOM   892  O O   . SER A 1 115 ? 16.307  -22.256 -9.639  1.000 18.347 0 115 SER A O   1 ? 
ATOM   893  C CB  . SER A 1 115 ? 15.145  -25.196 -9.397  1.000 20.727 0 115 SER A CB  1 ? 
ATOM   894  O OG  . SER A 1 115 ? 14.242  -26.205 -8.970  1.000 22.781 0 115 SER A OG  1 ? 
ATOM   895  N N   . PRO A 1 116 ? 17.577  -23.413 -8.242  1.000 19.450 0 116 PRO A N   1 ? 
ATOM   896  C CA  . PRO A 1 116 ? 18.789  -22.773 -8.739  1.000 19.612 0 116 PRO A CA  1 ? 
ATOM   897  C C   . PRO A 1 116 ? 19.168  -23.343 -10.089 1.000 21.538 0 116 PRO A C   1 ? 
ATOM   898  O O   . PRO A 1 116 ? 18.862  -24.509 -10.369 1.000 23.419 0 116 PRO A O   1 ? 
ATOM   899  C CB  . PRO A 1 116 ? 19.781  -23.166 -7.629  1.000 22.896 0 116 PRO A CB  1 ? 
ATOM   900  C CG  . PRO A 1 116 ? 19.338  -24.520 -7.257  1.000 22.904 0 116 PRO A CG  1 ? 
ATOM   901  C CD  . PRO A 1 116 ? 17.805  -24.356 -7.137  1.000 20.543 0 116 PRO A CD  1 ? 
ATOM   902  N N   . THR A 1 117 ? 19.812  -22.483 -10.882 1.000 21.611 0 117 THR A N   1 ? 
ATOM   903  C CA  . THR A 1 117 ? 20.396  -22.879 -12.173 1.000 23.219 0 117 THR A CA  1 ? 
ATOM   904  C C   . THR A 1 117 ? 21.908  -23.004 -12.044 1.000 26.561 0 117 THR A C   1 ? 
ATOM   905  O O   . THR A 1 117 ? 22.536  -23.425 -13.009 1.000 29.343 0 117 THR A O   1 ? 
ATOM   906  C CB  . THR A 1 117 ? 20.042  -21.910 -13.289 1.000 22.462 0 117 THR A CB  1 ? 
ATOM   907  O OG1 . THR A 1 117 ? 20.520  -20.609 -12.987 1.000 25.028 0 117 THR A OG1 1 ? 
ATOM   908  C CG2 . THR A 1 117 ? 18.548  -21.845 -13.516 1.000 24.068 0 117 THR A CG2 1 ? 
ATOM   909  N N   . THR A 1 118 ? 22.431  -22.624 -10.875 1.000 24.298 0 118 THR A N   1 ? 
ATOM   910  C CA  . THR A 1 118 ? 23.849  -22.794 -10.519 1.000 27.224 0 118 THR A CA  1 ? 
ATOM   911  C C   . THR A 1 118 ? 23.972  -23.858 -9.430  1.000 30.658 0 118 THR A C   1 ? 
ATOM   912  O O   . THR A 1 118 ? 22.979  -24.388 -8.918  1.000 34.023 0 118 THR A O   1 ? 
ATOM   913  C CB  . THR A 1 118 ? 24.445  -21.442 -10.121 1.000 29.804 0 118 THR A CB  1 ? 
ATOM   914  O OG1 . THR A 1 118 ? 23.614  -20.861 -9.116  1.000 28.663 0 118 THR A OG1 1 ? 
ATOM   915  C CG2 . THR A 1 118 ? 24.532  -20.485 -11.295 1.000 32.919 0 118 THR A CG2 1 ? 
ATOM   916  N N   . ARG A 1 119 ? 25.213  -24.189 -9.043  1.000 31.707 0 119 ARG A N   1 ? 
ATOM   917  C CA  . ARG A 1 119 ? 25.458  -25.346 -8.199  1.000 31.536 0 119 ARG A CA  1 ? 
ATOM   918  C C   . ARG A 1 119 ? 25.301  -25.018 -6.715  1.000 31.668 0 119 ARG A C   1 ? 
ATOM   919  O O   . ARG A 1 119 ? 25.432  -23.860 -6.311  1.000 35.077 0 119 ARG A O   1 ? 
ATOM   920  C CB  . ARG A 1 119 ? 26.892  -25.837 -8.470  1.000 37.837 0 119 ARG A CB  1 ? 
ATOM   921  C CG  . ARG A 1 119 ? 27.098  -26.294 -9.909  0.300 42.098 0 119 ARG A CG  1 ? 
ATOM   922  C CD  . ARG A 1 119 ? 28.205  -27.332 -10.065 0.600 46.909 0 119 ARG A CD  1 ? 
ATOM   923  N NE  . ARG A 1 119 ? 29.503  -26.891 -9.542  0.580 49.783 0 119 ARG A NE  1 ? 
ATOM   924  C CZ  . ARG A 1 119 ? 30.149  -25.784 -9.901  0.260 50.087 0 119 ARG A CZ  1 ? 
ATOM   925  N NH1 . ARG A 1 119 ? 29.638  -24.969 -10.811 0.700 52.478 0 119 ARG A NH1 1 ? 
ATOM   926  N NH2 . ARG A 1 119 ? 31.312  -25.498 -9.343  0.370 48.889 0 119 ARG A NH2 1 ? 
ATOM   927  N N   . GLY A 1 120 ? 24.989  -26.024 -5.885  1.000 31.266 0 120 GLY A N   1 ? 
ATOM   928  C CA  . GLY A 1 120 ? 25.257  -25.873 -4.462  1.000 32.737 0 120 GLY A CA  1 ? 
ATOM   929  C C   . GLY A 1 120 ? 24.046  -25.929 -3.532  1.000 31.821 0 120 GLY A C   1 ? 
ATOM   930  O O   . GLY A 1 120 ? 24.212  -25.767 -2.333  1.000 32.361 0 120 GLY A O   1 ? 
ATOM   931  N N   . CYS A 1 121 ? 22.845  -26.131 -4.080  1.000 27.657 0 121 CYS A N   1 ? 
ATOM   932  C CA  . CYS A 1 121 ? 21.647  -26.282 -3.273  1.000 26.530 0 121 CYS A CA  1 ? 
ATOM   933  C C   . CYS A 1 121 ? 20.562  -26.939 -4.138  1.000 30.205 0 121 CYS A C   1 ? 
ATOM   934  O O   . CYS A 1 121 ? 20.722  -27.071 -5.354  1.000 33.244 0 121 CYS A O   1 ? 
ATOM   935  C CB  . CYS A 1 121 ? 21.193  -24.935 -2.713  1.000 26.182 0 121 CYS A CB  1 ? 
ATOM   936  S SG  . CYS A 1 121 ? 21.031  -23.684 -4.010  1.000 26.131 0 121 CYS A SG  1 ? 
ATOM   937  N N   . ARG A 1 122 ? 19.434  -27.212 -3.489  1.000 28.580 0 122 ARG A N   1 ? 
ATOM   938  C CA  A ARG A 1 122 ? 18.299  -27.898 -4.088  0.450 30.833 0 122 ARG A CA  1 ? 
ATOM   939  C CA  B ARG A 1 122 ? 18.299  -27.898 -4.089  0.550 31.313 0 122 ARG A CA  1 ? 
ATOM   940  C C   . ARG A 1 122 ? 17.202  -26.874 -4.382  1.000 25.307 0 122 ARG A C   1 ? 
ATOM   941  O O   . ARG A 1 122 ? 17.256  -25.741 -3.900  1.000 26.606 0 122 ARG A O   1 ? 
ATOM   942  C CB  A ARG A 1 122 ? 17.770  -28.957 -3.116  0.450 33.491 0 122 ARG A CB  1 ? 
ATOM   943  C CB  B ARG A 1 122 ? 17.729  -28.951 -3.133  0.550 34.061 0 122 ARG A CB  1 ? 
ATOM   944  C CG  A ARG A 1 122 ? 17.152  -28.399 -1.839  0.450 36.644 0 122 ARG A CG  1 ? 
ATOM   945  C CG  B ARG A 1 122 ? 16.958  -28.397 -1.939  0.550 37.544 0 122 ARG A CG  1 ? 
ATOM   946  C CD  A ARG A 1 122 ? 16.823  -29.474 -0.803  0.450 41.019 0 122 ARG A CD  1 ? 
ATOM   947  C CD  B ARG A 1 122 ? 16.220  -29.489 -1.160  0.550 41.779 0 122 ARG A CD  1 ? 
ATOM   948  N NE  A ARG A 1 122 ? 16.411  -28.911 0.489   0.450 42.620 0 122 ARG A NE  1 ? 
ATOM   949  N NE  B ARG A 1 122 ? 15.412  -28.973 -0.046  0.550 45.303 0 122 ARG A NE  1 ? 
ATOM   950  C CZ  A ARG A 1 122 ? 17.240  -28.454 1.420   0.450 45.309 0 122 ARG A CZ  1 ? 
ATOM   951  C CZ  B ARG A 1 122 ? 14.080  -28.945 0.003   0.550 45.059 0 122 ARG A CZ  1 ? 
ATOM   952  N NH1 A ARG A 1 122 ? 18.539  -28.638 1.294   0.450 46.097 0 122 ARG A NH1 1 ? 
ATOM   953  N NH1 B ARG A 1 122 ? 13.362  -29.274 -1.058  0.550 43.439 0 122 ARG A NH1 1 ? 
ATOM   954  N NH2 A ARG A 1 122 ? 16.766  -27.849 2.495   0.450 48.029 0 122 ARG A NH2 1 ? 
ATOM   955  N NH2 B ARG A 1 122 ? 13.466  -28.564 1.110   0.550 45.673 0 122 ARG A NH2 1 ? 
ATOM   956  N N   . GLY A 1 123 ? 16.259  -27.268 -5.209  1.000 24.291 0 123 GLY A N   1 ? 
ATOM   957  C CA  . GLY A 1 123 ? 15.096  -26.434 -5.445  1.000 22.183 0 123 GLY A CA  1 ? 
ATOM   958  C C   . GLY A 1 123 ? 13.939  -26.877 -4.559  1.000 23.538 0 123 GLY A C   1 ? 
ATOM   959  O O   . GLY A 1 123 ? 13.994  -27.888 -3.853  1.000 23.995 0 123 GLY A O   1 ? 
ATOM   960  N N   . VAL A 1 124 ? 12.847  -26.131 -4.645  1.000 20.989 0 124 VAL A N   1 ? 
ATOM   961  C CA  . VAL A 1 124 ? 11.622  -26.497 -3.948  1.000 21.857 0 124 VAL A CA  1 ? 
ATOM   962  C C   . VAL A 1 124 ? 10.464  -26.404 -4.927  1.000 19.707 0 124 VAL A C   1 ? 
ATOM   963  O O   . VAL A 1 124 ? 10.521  -25.658 -5.918  1.000 20.596 0 124 VAL A O   1 ? 
ATOM   964  C CB  . VAL A 1 124 ? 11.389  -25.621 -2.719  1.000 24.747 0 124 VAL A CB  1 ? 
ATOM   965  C CG1 . VAL A 1 124 ? 12.310  -26.056 -1.572  1.000 28.462 0 124 VAL A CG1 1 ? 
ATOM   966  C CG2 . VAL A 1 124 ? 11.548  -24.166 -3.052  1.000 25.725 0 124 VAL A CG2 1 ? 
ATOM   967  N N   . ARG A 1 125 ? 9.387   -27.127 -4.646  1.000 18.600 0 125 ARG A N   1 ? 
ATOM   968  C CA  . ARG A 1 125 ? 8.262   -27.156 -5.551  1.000 19.572 0 125 ARG A CA  1 ? 
ATOM   969  C C   . ARG A 1 125 ? 6.964   -27.254 -4.770  1.000 18.952 0 125 ARG A C   1 ? 
ATOM   970  O O   . ARG A 1 125 ? 6.933   -27.920 -3.731  1.000 20.437 0 125 ARG A O   1 ? 
ATOM   971  C CB  . ARG A 1 125 ? 8.417   -28.367 -6.464  1.000 23.050 0 125 ARG A CB  1 ? 
ATOM   972  C CG  . ARG A 1 125 ? 7.348   -28.584 -7.514  1.000 26.605 0 125 ARG A CG  1 ? 
ATOM   973  C CD  . ARG A 1 125 ? 7.696   -29.841 -8.347  1.000 29.209 0 125 ARG A CD  1 ? 
ATOM   974  N NE  . ARG A 1 125 ? 8.841   -29.567 -9.220  1.000 32.837 0 125 ARG A NE  1 ? 
ATOM   975  C CZ  . ARG A 1 125 ? 9.178   -30.278 -10.299 1.000 37.200 0 125 ARG A CZ  1 ? 
ATOM   976  N NH1 . ARG A 1 125 ? 8.497   -31.360 -10.643 1.000 41.509 0 125 ARG A NH1 1 ? 
ATOM   977  N NH2 . ARG A 1 125 ? 10.192  -29.878 -11.033 1.000 35.377 0 125 ARG A NH2 1 ? 
ATOM   978  N N   . CYS A 1 126 ? 5.921   -26.627 -5.274  1.000 16.704 0 126 CYS A N   1 ? 
ATOM   979  C CA  . CYS A 1 126 ? 4.563   -26.921 -4.855  1.000 16.682 0 126 CYS A CA  1 ? 
ATOM   980  C C   . CYS A 1 126 ? 3.737   -27.055 -6.117  1.000 17.531 0 126 CYS A C   1 ? 
ATOM   981  O O   . CYS A 1 126 ? 3.377   -26.041 -6.744  1.000 17.759 0 126 CYS A O   1 ? 
ATOM   982  C CB  . CYS A 1 126 ? 4.020   -25.828 -3.959  1.000 17.324 0 126 CYS A CB  1 ? 
ATOM   983  S SG  . CYS A 1 126 ? 2.289   -26.093 -3.491  1.000 17.742 0 126 CYS A SG  1 ? 
ATOM   984  N N   . ALA A 1 127 ? 3.437   -28.306 -6.478  1.000 18.948 0 127 ALA A N   1 ? 
ATOM   985  C CA  . ALA A 1 127 ? 2.800   -28.580 -7.763  1.000 21.086 0 127 ALA A CA  1 ? 
ATOM   986  C C   . ALA A 1 127 ? 1.535   -29.426 -7.654  1.000 24.479 0 127 ALA A C   1 ? 
ATOM   987  O O   . ALA A 1 127 ? 0.986   -29.874 -8.659  1.000 27.055 0 127 ALA A O   1 ? 
ATOM   988  C CB  . ALA A 1 127 ? 3.766   -29.236 -8.707  1.000 23.075 0 127 ALA A CB  1 ? 
ATOM   989  N N   . ALA A 1 128 ? 1.019   -29.602 -6.455  1.000 21.483 0 128 ALA A N   1 ? 
ATOM   990  C CA  . ALA A 1 128 ? -0.214  -30.337 -6.252  1.000 22.174 0 128 ALA A CA  1 ? 
ATOM   991  C C   . ALA A 1 128 ? -1.413  -29.525 -6.713  1.000 21.371 0 128 ALA A C   1 ? 
ATOM   992  O O   . ALA A 1 128 ? -1.356  -28.306 -6.871  1.000 20.931 0 128 ALA A O   1 ? 
ATOM   993  C CB  . ALA A 1 128 ? -0.340  -30.648 -4.788  1.000 24.541 0 128 ALA A CB  1 ? 
ATOM   994  N N   . ASP A 1 129 ? -2.554  -30.194 -6.906  1.000 21.872 0 129 ASP A N   1 ? 
ATOM   995  C CA  . ASP A 1 129 ? -3.767  -29.552 -7.325  1.000 22.016 0 129 ASP A CA  1 ? 
ATOM   996  C C   . ASP A 1 129 ? -4.525  -28.942 -6.142  1.000 21.167 0 129 ASP A C   1 ? 
ATOM   997  O O   . ASP A 1 129 ? -5.583  -29.383 -5.704  1.000 21.217 0 129 ASP A O   1 ? 
ATOM   998  C CB  . ASP A 1 129 ? -4.703  -30.526 -8.012  1.000 25.952 0 129 ASP A CB  1 ? 
ATOM   999  C CG  . ASP A 1 129 ? -5.883  -29.844 -8.682  1.000 25.976 0 129 ASP A CG  1 ? 
ATOM   1000 O OD1 . ASP A 1 129 ? -5.912  -28.600 -8.796  1.000 25.981 0 129 ASP A OD1 1 ? 
ATOM   1001 O OD2 . ASP A 1 129 ? -6.781  -30.587 -9.109  1.000 34.714 0 129 ASP A OD2 1 ? 
ATOM   1002 N N   . ILE A 1 130 ? -3.928  -27.887 -5.604  1.000 17.748 0 130 ILE A N   1 ? 
ATOM   1003 C CA  . ILE A 1 130 ? -4.491  -27.236 -4.446  1.000 17.334 0 130 ILE A CA  1 ? 
ATOM   1004 C C   . ILE A 1 130 ? -5.803  -26.574 -4.804  1.000 18.438 0 130 ILE A C   1 ? 
ATOM   1005 O O   . ILE A 1 130 ? -6.716  -26.554 -3.979  1.000 19.577 0 130 ILE A O   1 ? 
ATOM   1006 C CB  . ILE A 1 130 ? -3.459  -26.292 -3.828  1.000 17.253 0 130 ILE A CB  1 ? 
ATOM   1007 C CG1 . ILE A 1 130 ? -2.395  -27.116 -3.095  1.000 19.339 0 130 ILE A CG1 1 ? 
ATOM   1008 C CG2 . ILE A 1 130 ? -4.126  -25.263 -2.918  1.000 17.869 0 130 ILE A CG2 1 ? 
ATOM   1009 C CD1 . ILE A 1 130 ? -1.312  -26.337 -2.412  1.000 22.050 0 130 ILE A CD1 1 ? 
ATOM   1010 N N   . VAL A 1 131 ? -5.951  -25.977 -5.983  1.000 16.151 0 131 VAL A N   1 ? 
ATOM   1011 C CA  . VAL A 1 131 ? -7.190  -25.333 -6.326  1.000 17.465 0 131 VAL A CA  1 ? 
ATOM   1012 C C   . VAL A 1 131 ? -8.313  -26.352 -6.398  1.000 18.996 0 131 VAL A C   1 ? 
ATOM   1013 O O   . VAL A 1 131 ? -9.415  -26.086 -5.894  1.000 20.354 0 131 VAL A O   1 ? 
ATOM   1014 C CB  . VAL A 1 131 ? -7.075  -24.492 -7.609  1.000 19.770 0 131 VAL A CB  1 ? 
ATOM   1015 C CG1 . VAL A 1 131 ? -8.396  -23.790 -7.919  1.000 22.691 0 131 VAL A CG1 1 ? 
ATOM   1016 C CG2 . VAL A 1 131 ? -5.996  -23.427 -7.428  1.000 21.378 0 131 VAL A CG2 1 ? 
ATOM   1017 N N   . GLY A 1 132 ? -8.041  -27.474 -7.042  1.000 18.294 0 132 GLY A N   1 ? 
ATOM   1018 C CA  . GLY A 1 132 ? -9.074  -28.490 -7.184  1.000 19.436 0 132 GLY A CA  1 ? 
ATOM   1019 C C   . GLY A 1 132 ? -9.527  -29.035 -5.829  1.000 20.988 0 132 GLY A C   1 ? 
ATOM   1020 O O   . GLY A 1 132 ? -10.712 -29.364 -5.633  1.000 22.752 0 132 GLY A O   1 ? 
ATOM   1021 N N   . GLN A 1 133 ? -8.593  -29.166 -4.889  1.000 18.327 0 133 GLN A N   1 ? 
ATOM   1022 C CA  . GLN A 1 133 ? -8.888  -29.790 -3.607  1.000 18.432 0 133 GLN A CA  1 ? 
ATOM   1023 C C   . GLN A 1 133 ? -9.261  -28.789 -2.511  1.000 18.032 0 133 GLN A C   1 ? 
ATOM   1024 O O   . GLN A 1 133 ? -9.594  -29.181 -1.399  1.000 18.960 0 133 GLN A O   1 ? 
ATOM   1025 C CB  . GLN A 1 133 ? -7.716  -30.630 -3.141  1.000 19.411 0 133 GLN A CB  1 ? 
ATOM   1026 C CG  . GLN A 1 133 ? -7.294  -31.753 -4.078  1.000 21.597 0 133 GLN A CG  1 ? 
ATOM   1027 C CD  . GLN A 1 133 ? -8.340  -32.824 -4.250  1.000 26.531 0 133 GLN A CD  1 ? 
ATOM   1028 O OE1 . GLN A 1 133 ? -9.458  -32.797 -3.731  1.000 26.454 0 133 GLN A OE1 1 ? 
ATOM   1029 N NE2 . GLN A 1 133 ? -8.010  -33.766 -5.112  1.000 35.496 0 133 GLN A NE2 1 ? 
ATOM   1030 N N   . CYS A 1 134 ? -9.224  -27.501 -2.825  1.000 17.180 0 134 CYS A N   1 ? 
ATOM   1031 C CA  . CYS A 1 134 ? -9.382  -26.417 -1.862  1.000 16.634 0 134 CYS A CA  1 ? 
ATOM   1032 C C   . CYS A 1 134 ? -10.653 -26.618 -1.035  1.000 18.203 0 134 CYS A C   1 ? 
ATOM   1033 O O   . CYS A 1 134 ? -11.736 -26.757 -1.611  1.000 19.363 0 134 CYS A O   1 ? 
ATOM   1034 C CB  . CYS A 1 134 ? -9.445  -25.121 -2.652  1.000 16.953 0 134 CYS A CB  1 ? 
ATOM   1035 S SG  . CYS A 1 134 ? -9.370  -23.621 -1.643  1.000 16.052 0 134 CYS A SG  1 ? 
ATOM   1036 N N   . PRO A 1 135 ? -10.549 -26.469 0.295   1.000 18.675 0 135 PRO A N   1 ? 
ATOM   1037 C CA  . PRO A 1 135 ? -11.744 -26.450 1.142   1.000 20.898 0 135 PRO A CA  1 ? 
ATOM   1038 C C   . PRO A 1 135 ? -12.711 -25.391 0.665   1.000 19.161 0 135 PRO A C   1 ? 
ATOM   1039 O O   . PRO A 1 135 ? -12.381 -24.267 0.290   1.000 19.071 0 135 PRO A O   1 ? 
ATOM   1040 C CB  . PRO A 1 135 ? -11.172 -26.115 2.515   1.000 24.203 0 135 PRO A CB  1 ? 
ATOM   1041 C CG  . PRO A 1 135 ? -9.746  -26.501 2.511   1.000 24.053 0 135 PRO A CG  1 ? 
ATOM   1042 C CD  . PRO A 1 135 ? -9.320  -26.344 1.071   1.000 19.485 0 135 PRO A CD  1 ? 
ATOM   1043 N N   . ALA A 1 136 ? -14.015 -25.678 0.780   1.000 22.359 0 136 ALA A N   1 ? 
ATOM   1044 C CA  . ALA A 1 136 ? -15.014 -24.784 0.272   1.000 22.795 0 136 ALA A CA  1 ? 
ATOM   1045 C C   . ALA A 1 136 ? -14.920 -23.355 0.814   1.000 19.830 0 136 ALA A C   1 ? 
ATOM   1046 O O   . ALA A 1 136 ? -15.085 -22.408 0.060   1.000 23.617 0 136 ALA A O   1 ? 
ATOM   1047 C CB  . ALA A 1 136 ? -16.376 -25.379 0.622   1.000 29.175 0 136 ALA A CB  1 ? 
ATOM   1048 N N   . LYS A 1 137 ? -14.639 -23.179 2.106   1.000 19.096 0 137 LYS A N   1 ? 
ATOM   1049 C CA  . LYS A 1 137 ? -14.596 -21.831 2.639   1.000 19.618 0 137 LYS A CA  1 ? 
ATOM   1050 C C   . LYS A 1 137 ? -13.369 -21.034 2.173   1.000 19.071 0 137 LYS A C   1 ? 
ATOM   1051 O O   . LYS A 1 137 ? -13.390 -19.809 2.299   1.000 21.371 0 137 LYS A O   1 ? 
ATOM   1052 C CB  . LYS A 1 137 ? -14.616 -21.838 4.169   1.000 24.247 0 137 LYS A CB  1 ? 
ATOM   1053 C CG  . LYS A 1 137 ? -15.998 -22.314 4.719   1.000 26.641 0 137 LYS A CG  1 ? 
ATOM   1054 C CD  . LYS A 1 137 ? -16.107 -22.216 6.228   1.000 33.965 0 137 LYS A CD  1 ? 
ATOM   1055 C CE  . LYS A 1 137 ? -17.527 -22.511 6.653   1.000 40.165 0 137 LYS A CE  1 ? 
ATOM   1056 N NZ  . LYS A 1 137 ? -17.637 -22.545 8.116   1.000 45.529 0 137 LYS A NZ  1 ? 
ATOM   1057 N N   . LEU A 1 138 ? -12.355 -21.697 1.600   1.000 18.143 0 138 LEU A N   1 ? 
ATOM   1058 C CA  . LEU A 1 138 ? -11.147 -20.985 1.147   1.000 16.555 0 138 LEU A CA  1 ? 
ATOM   1059 C C   . LEU A 1 138 ? -11.169 -20.738 -0.355  1.000 16.904 0 138 LEU A C   1 ? 
ATOM   1060 O O   . LEU A 1 138 ? -10.276 -20.071 -0.869  1.000 17.704 0 138 LEU A O   1 ? 
ATOM   1061 C CB  . LEU A 1 138 ? -9.910  -21.801 1.507   1.000 15.876 0 138 LEU A CB  1 ? 
ATOM   1062 C CG  . LEU A 1 138 ? -9.662  -22.037 3.000   1.000 16.616 0 138 LEU A CG  1 ? 
ATOM   1063 C CD1 . LEU A 1 138 ? -8.339  -22.752 3.151   1.000 18.065 0 138 LEU A CD1 1 ? 
ATOM   1064 C CD2 . LEU A 1 138 ? -9.686  -20.780 3.783   1.000 19.100 0 138 LEU A CD2 1 ? 
ATOM   1065 N N   . LYS A 1 139 ? -12.116 -21.301 -1.089  1.000 17.162 0 139 LYS A N   1 ? 
ATOM   1066 C CA  . LYS A 1 139 ? -12.121 -21.113 -2.527  1.000 18.827 0 139 LYS A CA  1 ? 
ATOM   1067 C C   . LYS A 1 139 ? -12.384 -19.668 -2.905  1.000 21.121 0 139 LYS A C   1 ? 
ATOM   1068 O O   . LYS A 1 139 ? -13.264 -19.019 -2.354  1.000 24.491 0 139 LYS A O   1 ? 
ATOM   1069 C CB  . LYS A 1 139 ? -13.152 -22.024 -3.201  1.000 23.993 0 139 LYS A CB  1 ? 
ATOM   1070 C CG  . LYS A 1 139 ? -12.920 -23.477 -3.046  1.000 31.748 0 139 LYS A CG  1 ? 
ATOM   1071 C CD  . LYS A 1 139 ? -13.980 -24.363 -3.703  1.000 41.128 0 139 LYS A CD  1 ? 
ATOM   1072 C CE  . LYS A 1 139 ? -13.576 -24.868 -5.046  1.000 48.959 0 139 LYS A CE  1 ? 
ATOM   1073 N NZ  . LYS A 1 139 ? -12.482 -25.845 -4.970  1.000 53.369 0 139 LYS A NZ  1 ? 
ATOM   1074 N N   . ALA A 1 140 ? -11.537 -19.130 -3.770  1.000 19.830 0 140 ALA A N   1 ? 
ATOM   1075 C CA  . ALA A 1 140 ? -11.717 -17.777 -4.264  1.000 21.689 0 140 ALA A CA  1 ? 
ATOM   1076 C C   . ALA A 1 140 ? -12.499 -17.815 -5.579  1.000 25.127 0 140 ALA A C   1 ? 
ATOM   1077 O O   . ALA A 1 140 ? -12.137 -18.531 -6.493  1.000 24.717 0 140 ALA A O   1 ? 
ATOM   1078 C CB  . ALA A 1 140 ? -10.356 -17.165 -4.468  1.000 23.450 0 140 ALA A CB  1 ? 
ATOM   1079 N N   . PRO A 1 141 ? -13.556 -17.000 -5.723  1.000 28.889 0 141 PRO A N   1 ? 
ATOM   1080 C CA  . PRO A 1 141 ? -14.395 -17.054 -6.920  1.000 32.470 0 141 PRO A CA  1 ? 
ATOM   1081 C C   . PRO A 1 141 ? -13.645 -16.804 -8.223  1.000 34.133 0 141 PRO A C   1 ? 
ATOM   1082 O O   . PRO A 1 141 ? -13.973 -17.420 -9.238  1.000 35.861 0 141 PRO A O   1 ? 
ATOM   1083 C CB  . PRO A 1 141 ? -15.404 -15.943 -6.635  1.000 33.217 0 141 PRO A CB  1 ? 
ATOM   1084 C CG  . PRO A 1 141 ? -15.500 -15.872 -5.149  1.000 32.291 0 141 PRO A CG  1 ? 
ATOM   1085 C CD  . PRO A 1 141 ? -14.081 -16.128 -4.688  1.000 29.136 0 141 PRO A CD  1 ? 
ATOM   1086 N N   . GLY A 1 142 ? -12.653 -15.892 -8.172  1.000 37.191 0 142 GLY A N   1 ? 
ATOM   1087 C CA  . GLY A 1 142 ? -11.907 -15.481 -9.352  1.000 36.708 0 142 GLY A CA  1 ? 
ATOM   1088 C C   . GLY A 1 142 ? -10.845 -16.504 -9.722  1.000 33.726 0 142 GLY A C   1 ? 
ATOM   1089 O O   . GLY A 1 142 ? -10.209 -16.440 -10.772 1.000 37.690 0 142 GLY A O   1 ? 
ATOM   1090 N N   . GLY A 1 143 ? -10.668 -17.472 -8.822  1.000 28.380 0 143 GLY A N   1 ? 
ATOM   1091 C CA  . GLY A 1 143 ? -9.743  -18.551 -9.015  1.000 27.030 0 143 GLY A CA  1 ? 
ATOM   1092 C C   . GLY A 1 143 ? -8.826  -18.564 -7.792  1.000 21.305 0 143 GLY A C   1 ? 
ATOM   1093 O O   . GLY A 1 143 ? -8.643  -17.559 -7.099  1.000 26.960 0 143 GLY A O   1 ? 
ATOM   1094 N N   . GLY A 1 144 ? -8.319  -19.742 -7.533  1.000 21.631 0 144 GLY A N   1 ? 
ATOM   1095 C CA  . GLY A 1 144 ? -7.319  -19.894 -6.510  1.000 17.335 0 144 GLY A CA  1 ? 
ATOM   1096 C C   . GLY A 1 144 ? -7.907  -20.402 -5.201  1.000 16.314 0 144 GLY A C   1 ? 
ATOM   1097 O O   . GLY A 1 144 ? -9.114  -20.560 -5.045  1.000 18.226 0 144 GLY A O   1 ? 
ATOM   1098 N N   . CYS A 1 145 ? -7.030  -20.558 -4.235  1.000 14.594 0 145 CYS A N   1 ? 
ATOM   1099 C CA  . CYS A 1 145 ? -7.349  -21.084 -2.906  1.000 13.622 0 145 CYS A CA  1 ? 
ATOM   1100 C C   . CYS A 1 145 ? -6.706  -20.151 -1.903  1.000 14.056 0 145 CYS A C   1 ? 
ATOM   1101 O O   . CYS A 1 145 ? -5.481  -20.071 -1.794  1.000 13.914 0 145 CYS A O   1 ? 
ATOM   1102 C CB  . CYS A 1 145 ? -6.810  -22.494 -2.746  1.000 14.571 0 145 CYS A CB  1 ? 
ATOM   1103 S SG  . CYS A 1 145 ? -7.393  -23.331 -1.261  1.000 15.819 0 145 CYS A SG  1 ? 
ATOM   1104 N N   . ASN A 1 146 ? -7.544  -19.386 -1.201  1.000 13.942 0 146 ASN A N   1 ? 
ATOM   1105 C CA  . ASN A 1 146 ? -7.080  -18.414 -0.239  1.000 14.417 0 146 ASN A CA  1 ? 
ATOM   1106 C C   . ASN A 1 146 ? -6.520  -19.083 0.997   1.000 14.609 0 146 ASN A C   1 ? 
ATOM   1107 O O   . ASN A 1 146 ? -6.968  -20.163 1.356   1.000 15.238 0 146 ASN A O   1 ? 
ATOM   1108 C CB  . ASN A 1 146 ? -8.202  -17.532 0.256   1.000 16.188 0 146 ASN A CB  1 ? 
ATOM   1109 C CG  . ASN A 1 146 ? -8.685  -16.538 -0.749  1.000 20.436 0 146 ASN A CG  1 ? 
ATOM   1110 O OD1 . ASN A 1 146 ? -7.864  -15.810 -1.315  1.000 23.342 0 146 ASN A OD1 1 ? 
ATOM   1111 N ND2 . ASN A 1 146 ? -9.999  -16.506 -0.949  1.000 24.540 0 146 ASN A ND2 1 ? 
ATOM   1112 N N   . ASP A 1 147 ? -5.581  -18.419 1.649   1.000 13.575 0 147 ASP A N   1 ? 
ATOM   1113 C CA  . ASP A 1 147 ? -5.192  -18.765 3.004   1.000 13.218 0 147 ASP A CA  1 ? 
ATOM   1114 C C   . ASP A 1 147 ? -6.300  -18.325 3.982   1.000 13.285 0 147 ASP A C   1 ? 
ATOM   1115 O O   . ASP A 1 147 ? -7.106  -17.407 3.719   1.000 14.819 0 147 ASP A O   1 ? 
ATOM   1116 C CB  . ASP A 1 147 ? -3.881  -18.108 3.352   1.000 13.067 0 147 ASP A CB  1 ? 
ATOM   1117 C CG  . ASP A 1 147 ? -4.016  -16.609 3.388   1.000 14.523 0 147 ASP A CG  1 ? 
ATOM   1118 O OD1 . ASP A 1 147 ? -4.118  -15.981 2.330   1.000 14.765 0 147 ASP A OD1 1 ? 
ATOM   1119 O OD2 . ASP A 1 147 ? -4.138  -16.090 4.543   1.000 14.756 0 147 ASP A OD2 1 ? 
ATOM   1120 N N   . ALA A 1 148 ? -6.268  -18.908 5.170   1.000 13.072 0 148 ALA A N   1 ? 
ATOM   1121 C CA  . ALA A 1 148 ? -7.291  -18.660 6.166   1.000 13.827 0 148 ALA A CA  1 ? 
ATOM   1122 C C   . ALA A 1 148 ? -7.170  -17.259 6.770   1.000 13.932 0 148 ALA A C   1 ? 
ATOM   1123 O O   . ALA A 1 148 ? -8.163  -16.727 7.268   1.000 14.733 0 148 ALA A O   1 ? 
ATOM   1124 C CB  . ALA A 1 148 ? -7.179  -19.726 7.253   1.000 13.988 0 148 ALA A CB  1 ? 
ATOM   1125 N N   . CYS A 1 149 ? -5.971  -16.685 6.860   1.000 13.506 0 149 CYS A N   1 ? 
ATOM   1126 C CA  . CYS A 1 149 ? -5.807  -15.343 7.372   1.000 13.089 0 149 CYS A CA  1 ? 
ATOM   1127 C C   . CYS A 1 149 ? -6.549  -14.338 6.486   1.000 15.176 0 149 CYS A C   1 ? 
ATOM   1128 O O   . CYS A 1 149 ? -7.346  -13.523 6.959   1.000 15.415 0 149 CYS A O   1 ? 
ATOM   1129 C CB  . CYS A 1 149 ? -4.349  -15.004 7.540   1.000 14.571 0 149 CYS A CB  1 ? 
ATOM   1130 S SG  . CYS A 1 149 ? -4.044  -13.249 7.893   1.000 15.950 0 149 CYS A SG  1 ? 
ATOM   1131 N N   . THR A 1 150 ? -6.340  -14.409 5.179   1.000 14.196 0 150 THR A N   1 ? 
ATOM   1132 C CA  . THR A 1 150 ? -7.050  -13.588 4.209   1.000 14.823 0 150 THR A CA  1 ? 
ATOM   1133 C C   . THR A 1 150 ? -8.551  -13.698 4.396   1.000 15.037 0 150 THR A C   1 ? 
ATOM   1134 O O   . THR A 1 150 ? -9.254  -12.694 4.378   1.000 17.912 0 150 THR A O   1 ? 
ATOM   1135 C CB  . THR A 1 150 ? -6.630  -13.999 2.797   1.000 15.827 0 150 THR A CB  1 ? 
ATOM   1136 O OG1 . THR A 1 150 ? -5.251  -13.669 2.655   1.000 16.615 0 150 THR A OG1 1 ? 
ATOM   1137 C CG2 . THR A 1 150 ? -7.466  -13.265 1.753   1.000 18.375 0 150 THR A CG2 1 ? 
ATOM   1138 N N   . VAL A 1 151 ? -9.064  -14.919 4.546   1.000 14.787 0 151 VAL A N   1 ? 
ATOM   1139 C CA  . VAL A 1 151 ? -10.497 -15.121 4.596   1.000 14.393 0 151 VAL A CA  1 ? 
ATOM   1140 C C   . VAL A 1 151 ? -11.102 -14.681 5.927   1.000 15.089 0 151 VAL A C   1 ? 
ATOM   1141 O O   . VAL A 1 151 ? -12.087 -13.940 5.945   1.000 17.469 0 151 VAL A O   1 ? 
ATOM   1142 C CB  . VAL A 1 151 ? -10.855 -16.580 4.305   1.000 15.998 0 151 VAL A CB  1 ? 
ATOM   1143 C CG1 . VAL A 1 151 ? -12.329 -16.879 4.497   1.000 17.451 0 151 VAL A CG1 1 ? 
ATOM   1144 C CG2 . VAL A 1 151 ? -10.380 -16.902 2.889   1.000 17.138 0 151 VAL A CG2 1 ? 
ATOM   1145 N N   . PHE A 1 152 ? -10.517 -15.087 7.040   1.000 14.658 0 152 PHE A N   1 ? 
ATOM   1146 C CA  . PHE A 1 152 ? -11.191 -14.966 8.333   1.000 15.257 0 152 PHE A CA  1 ? 
ATOM   1147 C C   . PHE A 1 152 ? -10.639 -13.858 9.200   1.000 15.566 0 152 PHE A C   1 ? 
ATOM   1148 O O   . PHE A 1 152 ? -11.303 -13.427 10.152  1.000 16.348 0 152 PHE A O   1 ? 
ATOM   1149 C CB  . PHE A 1 152 ? -11.111 -16.275 9.097   1.000 15.822 0 152 PHE A CB  1 ? 
ATOM   1150 C CG  . PHE A 1 152 ? -11.916 -17.365 8.448   1.000 14.909 0 152 PHE A CG  1 ? 
ATOM   1151 C CD1 . PHE A 1 152 ? -13.303 -17.340 8.479   1.000 16.598 0 152 PHE A CD1 1 ? 
ATOM   1152 C CD2 . PHE A 1 152 ? -11.302 -18.390 7.756   1.000 16.953 0 152 PHE A CD2 1 ? 
ATOM   1153 C CE1 . PHE A 1 152 ? -14.038 -18.362 7.885   1.000 18.219 0 152 PHE A CE1 1 ? 
ATOM   1154 C CE2 . PHE A 1 152 ? -12.057 -19.387 7.160   1.000 18.072 0 152 PHE A CE2 1 ? 
ATOM   1155 C CZ  . PHE A 1 152 ? -13.412 -19.353 7.206   1.000 18.077 0 152 PHE A CZ  1 ? 
ATOM   1156 N N   . GLN A 1 153 ? -9.414  -13.390 8.980   1.000 14.491 0 153 GLN A N   1 ? 
ATOM   1157 C CA  A GLN A 1 153 ? -8.859  -12.240 9.676   0.740 13.992 0 153 GLN A CA  1 ? 
ATOM   1158 C CA  B GLN A 1 153 ? -8.843  -12.237 9.673   0.260 14.597 0 153 GLN A CA  1 ? 
ATOM   1159 C C   . GLN A 1 153 ? -8.877  -12.417 11.198  1.000 14.529 0 153 GLN A C   1 ? 
ATOM   1160 O O   . GLN A 1 153 ? -9.275  -11.507 11.919  1.000 16.717 0 153 GLN A O   1 ? 
ATOM   1161 C CB  A GLN A 1 153 ? -9.611  -10.980 9.255   0.740 15.374 0 153 GLN A CB  1 ? 
ATOM   1162 C CB  B GLN A 1 153 ? -9.523  -10.911 9.307   0.260 15.192 0 153 GLN A CB  1 ? 
ATOM   1163 C CG  A GLN A 1 153 ? -9.425  -10.708 7.774   0.740 18.883 0 153 GLN A CG  1 ? 
ATOM   1164 C CG  B GLN A 1 153 ? -9.380  -10.468 7.853   0.260 16.267 0 153 GLN A CG  1 ? 
ATOM   1165 C CD  A GLN A 1 153 ? -8.220  -9.873  7.517   0.740 23.829 0 153 GLN A CD  1 ? 
ATOM   1166 C CD  B GLN A 1 153 ? -8.017  -9.942  7.482   0.260 18.051 0 153 GLN A CD  1 ? 
ATOM   1167 O OE1 A GLN A 1 153 ? -8.335  -8.641  7.530   0.740 23.628 0 153 GLN A OE1 1 ? 
ATOM   1168 O OE1 B GLN A 1 153 ? -7.570  -8.856  7.905   0.260 18.071 0 153 GLN A OE1 1 ? 
ATOM   1169 N NE2 A GLN A 1 153 ? -7.076  -10.518 7.303   0.740 24.989 0 153 GLN A NE2 1 ? 
ATOM   1170 N NE2 B GLN A 1 153 ? -7.376  -10.696 6.602   0.260 18.272 0 153 GLN A NE2 1 ? 
ATOM   1171 N N   . THR A 1 154 ? -8.398  -13.566 11.696  1.000 14.178 0 154 THR A N   1 ? 
ATOM   1172 C CA  . THR A 1 154 ? -8.276  -13.822 13.132  1.000 13.865 0 154 THR A CA  1 ? 
ATOM   1173 C C   . THR A 1 154 ? -6.825  -13.778 13.527  1.000 15.739 0 154 THR A C   1 ? 
ATOM   1174 O O   . THR A 1 154 ? -5.907  -14.002 12.740  1.000 15.344 0 154 THR A O   1 ? 
ATOM   1175 C CB  . THR A 1 154 ? -8.858  -15.160 13.566  1.000 15.057 0 154 THR A CB  1 ? 
ATOM   1176 O OG1 . THR A 1 154 ? -8.025  -16.182 13.051  1.000 15.458 0 154 THR A OG1 1 ? 
ATOM   1177 C CG2 . THR A 1 154 ? -10.302 -15.288 13.150  1.000 17.621 0 154 THR A CG2 1 ? 
ATOM   1178 N N   . SER A 1 155 ? -6.604  -13.536 14.821  1.000 15.223 0 155 SER A N   1 ? 
ATOM   1179 C CA  A SER A 1 155 ? -5.272  -13.531 15.360  0.710 14.798 0 155 SER A CA  1 ? 
ATOM   1180 C CA  B SER A 1 155 ? -5.275  -13.534 15.397  0.290 15.608 0 155 SER A CA  1 ? 
ATOM   1181 C C   . SER A 1 155 ? -4.599  -14.884 15.182  1.000 15.511 0 155 SER A C   1 ? 
ATOM   1182 O O   . SER A 1 155 ? -3.410  -14.959 14.926  1.000 17.383 0 155 SER A O   1 ? 
ATOM   1183 C CB  A SER A 1 155 ? -5.295  -13.147 16.809  0.710 17.625 0 155 SER A CB  1 ? 
ATOM   1184 C CB  B SER A 1 155 ? -5.310  -13.172 16.873  0.290 17.151 0 155 SER A CB  1 ? 
ATOM   1185 O OG  A SER A 1 155 ? -5.760  -11.814 16.981  0.710 19.948 0 155 SER A OG  1 ? 
ATOM   1186 O OG  B SER A 1 155 ? -6.014  -14.120 17.672  0.290 18.937 0 155 SER A OG  1 ? 
ATOM   1187 N N   . GLU A 1 156 ? -5.367  -15.963 15.287  1.000 14.673 0 156 GLU A N   1 ? 
ATOM   1188 C CA  . GLU A 1 156 ? -4.768  -17.277 15.175  1.000 14.495 0 156 GLU A CA  1 ? 
ATOM   1189 C C   . GLU A 1 156 ? -4.316  -17.548 13.742  1.000 15.947 0 156 GLU A C   1 ? 
ATOM   1190 O O   . GLU A 1 156 ? -3.234  -18.063 13.556  1.000 16.600 0 156 GLU A O   1 ? 
ATOM   1191 C CB  . GLU A 1 156 ? -5.755  -18.350 15.626  1.000 15.705 0 156 GLU A CB  1 ? 
ATOM   1192 C CG  . GLU A 1 156 ? -5.130  -19.727 15.808  1.000 16.638 0 156 GLU A CG  1 ? 
ATOM   1193 C CD  . GLU A 1 156 ? -4.099  -19.793 16.905  1.000 16.572 0 156 GLU A CD  1 ? 
ATOM   1194 O OE1 . GLU A 1 156 ? -3.980  -18.876 17.735  1.000 17.739 0 156 GLU A OE1 1 ? 
ATOM   1195 O OE2 . GLU A 1 156 ? -3.317  -20.762 16.893  1.000 18.403 0 156 GLU A OE2 1 ? 
ATOM   1196 N N   . TYR A 1 157 ? -5.124  -17.263 12.733  1.000 14.251 0 157 TYR A N   1 ? 
ATOM   1197 C CA  . TYR A 1 157 ? -4.701  -17.565 11.377  1.000 13.827 0 157 TYR A CA  1 ? 
ATOM   1198 C C   . TYR A 1 157 ? -3.603  -16.628 10.916  1.000 15.371 0 157 TYR A C   1 ? 
ATOM   1199 O O   . TYR A 1 157 ? -2.779  -17.017 10.073  1.000 15.650 0 157 TYR A O   1 ? 
ATOM   1200 C CB  . TYR A 1 157 ? -5.873  -17.486 10.407  1.000 13.549 0 157 TYR A CB  1 ? 
ATOM   1201 C CG  . TYR A 1 157 ? -6.974  -18.503 10.641  1.000 14.840 0 157 TYR A CG  1 ? 
ATOM   1202 C CD1 . TYR A 1 157 ? -6.669  -19.830 10.894  1.000 15.687 0 157 TYR A CD1 1 ? 
ATOM   1203 C CD2 . TYR A 1 157 ? -8.285  -18.150 10.607  1.000 14.211 0 157 TYR A CD2 1 ? 
ATOM   1204 C CE1 . TYR A 1 157 ? -7.676  -20.756 11.110  1.000 15.715 0 157 TYR A CE1 1 ? 
ATOM   1205 C CE2 . TYR A 1 157 ? -9.297  -19.072 10.783  1.000 14.928 0 157 TYR A CE2 1 ? 
ATOM   1206 C CZ  . TYR A 1 157 ? -8.990  -20.364 11.093  1.000 14.071 0 157 TYR A CZ  1 ? 
ATOM   1207 O OH  . TYR A 1 157 ? -9.976  -21.275 11.357  1.000 15.805 0 157 TYR A OH  1 ? 
ATOM   1208 N N   . CYS A 1 158 ? -3.680  -15.368 11.320  1.000 14.608 0 158 CYS A N   1 ? 
ATOM   1209 C CA  . CYS A 1 158 ? -2.727  -14.355 10.872  1.000 15.377 0 158 CYS A CA  1 ? 
ATOM   1210 C C   . CYS A 1 158 ? -1.487  -14.287 11.750  1.000 17.357 0 158 CYS A C   1 ? 
ATOM   1211 O O   . CYS A 1 158 ? -0.530  -13.612 11.376  1.000 19.479 0 158 CYS A O   1 ? 
ATOM   1212 C CB  . CYS A 1 158 ? -3.407  -13.002 10.801  1.000 16.025 0 158 CYS A CB  1 ? 
ATOM   1213 S SG  . CYS A 1 158 ? -4.855  -12.981 9.723   1.000 15.869 0 158 CYS A SG  1 ? 
ATOM   1214 N N   . CYS A 1 159 ? -1.488  -15.003 12.891  1.000 16.878 0 159 CYS A N   1 ? 
ATOM   1215 C CA  A CYS A 1 159 ? -0.370  -15.069 13.802  0.590 18.298 0 159 CYS A CA  1 ? 
ATOM   1216 C CA  B CYS A 1 159 ? -0.343  -15.079 13.782  0.410 18.271 0 159 CYS A CA  1 ? 
ATOM   1217 C C   . CYS A 1 159 ? 0.026   -13.684 14.286  1.000 18.396 0 159 CYS A C   1 ? 
ATOM   1218 O O   . CYS A 1 159 ? 1.198   -13.404 14.507  1.000 21.232 0 159 CYS A O   1 ? 
ATOM   1219 C CB  A CYS A 1 159 ? 0.792   -15.809 13.175  0.590 19.036 0 159 CYS A CB  1 ? 
ATOM   1220 C CB  B CYS A 1 159 ? 0.832   -15.800 13.123  0.410 18.998 0 159 CYS A CB  1 ? 
ATOM   1221 S SG  A CYS A 1 159 ? 1.712   -16.721 14.428  0.590 18.820 0 159 CYS A SG  1 ? 
ATOM   1222 S SG  B CYS A 1 159 ? 0.550   -17.562 12.773  0.410 18.987 0 159 CYS A SG  1 ? 
ATOM   1223 N N   . THR A 1 160 ? -0.976  -12.875 14.587  1.000 19.797 0 160 THR A N   1 ? 
ATOM   1224 C CA  . THR A 1 160 ? -0.800  -11.488 14.958  1.000 20.430 0 160 THR A CA  1 ? 
ATOM   1225 C C   . THR A 1 160 ? -0.014  -11.318 16.259  1.000 24.502 0 160 THR A C   1 ? 
ATOM   1226 O O   . THR A 1 160 ? 0.678   -10.294 16.359  1.000 32.057 0 160 THR A O   1 ? 
ATOM   1227 C CB  . THR A 1 160 ? -2.199  -10.884 15.129  1.000 23.230 0 160 THR A CB  1 ? 
ATOM   1228 O OG1 . THR A 1 160 ? -2.895  -11.195 13.940  1.000 26.722 0 160 THR A OG1 1 ? 
ATOM   1229 C CG2 . THR A 1 160 ? -2.163  -9.377  15.263  1.000 30.304 0 160 THR A CG2 1 ? 
ATOM   1230 N N   . THR A 1 161 ? -0.189  -12.213 17.233  1.000 24.750 0 161 THR A N   1 ? 
ATOM   1231 C CA  . THR A 1 161 ? 0.476   -12.036 18.530  1.000 27.275 0 161 THR A CA  1 ? 
ATOM   1232 C C   . THR A 1 161 ? 1.868   -12.660 18.496  1.000 34.481 0 161 THR A C   1 ? 
ATOM   1233 O O   . THR A 1 161 ? 2.606   -12.545 19.483  1.000 36.245 0 161 THR A O   1 ? 
ATOM   1234 C CB  . THR A 1 161 ? -0.352  -12.619 19.663  1.000 30.042 0 161 THR A CB  1 ? 
ATOM   1235 O OG1 . THR A 1 161 ? -0.216  -14.021 19.507  1.000 31.049 0 161 THR A OG1 1 ? 
ATOM   1236 C CG2 . THR A 1 161 ? -1.823  -12.236 19.621  1.000 35.271 0 161 THR A CG2 1 ? 
ATOM   1237 N N   . GLY A 1 162 ? 2.223   -13.335 17.395  1.000 29.653 0 162 GLY A N   1 ? 
ATOM   1238 C CA  . GLY A 1 162 ? 3.510   -14.007 17.298  1.000 31.362 0 162 GLY A CA  1 ? 
ATOM   1239 C C   . GLY A 1 162 ? 3.454   -15.388 17.936  1.000 29.408 0 162 GLY A C   1 ? 
ATOM   1240 O O   . GLY A 1 162 ? 4.441   -16.110 17.947  1.000 33.535 0 162 GLY A O   1 ? 
ATOM   1241 N N   . LYS A 1 163 ? 2.269   -15.764 18.414  1.000 27.441 0 163 LYS A N   1 ? 
ATOM   1242 C CA  . LYS A 1 163 ? 1.998   -17.087 18.909  1.000 30.174 0 163 LYS A CA  1 ? 
ATOM   1243 C C   . LYS A 1 163 ? 0.768   -17.562 18.155  1.000 29.263 0 163 LYS A C   1 ? 
ATOM   1244 O O   . LYS A 1 163 ? -0.271  -16.913 18.118  1.000 31.977 0 163 LYS A O   1 ? 
ATOM   1245 C CB  . LYS A 1 163 ? 1.813   -17.147 20.424  1.000 36.142 0 163 LYS A CB  1 ? 
ATOM   1246 C CG  . LYS A 1 163 ? 2.844   -16.336 21.191  0.750 42.275 0 163 LYS A CG  1 ? 
ATOM   1247 C CD  . LYS A 1 163 ? 3.155   -16.850 22.593  0.600 48.315 0 163 LYS A CD  1 ? 
ATOM   1248 C CE  . LYS A 1 163 ? 4.307   -17.810 22.608  0.830 54.235 0 163 LYS A CE  1 ? 
ATOM   1249 N NZ  . LYS A 1 163 ? 4.687   -18.178 23.975  0.680 55.133 0 163 LYS A NZ  1 ? 
ATOM   1250 N N   . CYS A 1 164 ? 0.949   -18.687 17.505  1.000 23.819 0 164 CYS A N   1 ? 
ATOM   1251 C CA  . CYS A 1 164 ? -0.150  -19.336 16.821  1.000 18.824 0 164 CYS A CA  1 ? 
ATOM   1252 C C   . CYS A 1 164 ? 0.306   -20.757 16.562  1.000 19.871 0 164 CYS A C   1 ? 
ATOM   1253 O O   . CYS A 1 164 ? 1.516   -21.021 16.556  1.000 21.728 0 164 CYS A O   1 ? 
ATOM   1254 C CB  . CYS A 1 164 ? -0.471  -18.624 15.512  1.000 18.732 0 164 CYS A CB  1 ? 
ATOM   1255 S SG  . CYS A 1 164 ? 0.912   -18.587 14.332  1.000 21.014 0 164 CYS A SG  1 ? 
ATOM   1256 N N   . GLY A 1 165 ? -0.643  -21.634 16.267  1.000 17.677 0 165 GLY A N   1 ? 
ATOM   1257 C CA  . GLY A 1 165 ? -0.318  -22.998 15.915  1.000 17.015 0 165 GLY A CA  1 ? 
ATOM   1258 C C   . GLY A 1 165 ? -0.837  -23.312 14.522  1.000 17.089 0 165 GLY A C   1 ? 
ATOM   1259 O O   . GLY A 1 165 ? -1.509  -22.478 13.883  1.000 17.121 0 165 GLY A O   1 ? 
ATOM   1260 N N   . PRO A 1 166 ? -0.538  -24.509 14.033  1.000 15.372 0 166 PRO A N   1 ? 
ATOM   1261 C CA  . PRO A 1 166 ? -1.137  -24.987 12.810  1.000 15.025 0 166 PRO A CA  1 ? 
ATOM   1262 C C   . PRO A 1 166 ? -2.639  -25.086 13.003  1.000 16.100 0 166 PRO A C   1 ? 
ATOM   1263 O O   . PRO A 1 166 ? -3.151  -25.235 14.129  1.000 17.030 0 166 PRO A O   1 ? 
ATOM   1264 C CB  . PRO A 1 166 ? -0.454  -26.332 12.591  1.000 18.430 0 166 PRO A CB  1 ? 
ATOM   1265 C CG  . PRO A 1 166 ? 0.134   -26.735 13.911  1.000 21.843 0 166 PRO A CG  1 ? 
ATOM   1266 C CD  . PRO A 1 166 ? 0.252   -25.515 14.756  1.000 18.329 0 166 PRO A CD  1 ? 
ATOM   1267 N N   . THR A 1 167 ? -3.382  -25.075 11.909  1.000 15.076 0 167 THR A N   1 ? 
ATOM   1268 C CA  . THR A 1 167 ? -4.838  -25.111 11.914  1.000 14.271 0 167 THR A CA  1 ? 
ATOM   1269 C C   . THR A 1 167 ? -5.329  -26.119 10.896  1.000 14.931 0 167 THR A C   1 ? 
ATOM   1270 O O   . THR A 1 167 ? -4.558  -26.626 10.083  1.000 15.960 0 167 THR A O   1 ? 
ATOM   1271 C CB  . THR A 1 167 ? -5.359  -23.704 11.584  1.000 14.585 0 167 THR A CB  1 ? 
ATOM   1272 O OG1 . THR A 1 167 ? -5.057  -23.398 10.193  1.000 15.081 0 167 THR A OG1 1 ? 
ATOM   1273 C CG2 . THR A 1 167 ? -4.832  -22.621 12.497  1.000 15.627 0 167 THR A CG2 1 ? 
ATOM   1274 N N   . GLU A 1 168 ? -6.611  -26.418 10.870  1.000 14.468 0 168 GLU A N   1 ? 
ATOM   1275 C CA  A GLU A 1 168 ? -7.156  -27.335 9.889   0.420 16.097 0 168 GLU A CA  1 ? 
ATOM   1276 C CA  B GLU A 1 168 ? -7.146  -27.337 9.888   0.580 15.876 0 168 GLU A CA  1 ? 
ATOM   1277 C C   . GLU A 1 168 ? -6.806  -26.802 8.499   1.000 15.735 0 168 GLU A C   1 ? 
ATOM   1278 O O   . GLU A 1 168 ? -6.546  -27.551 7.583   1.000 16.737 0 168 GLU A O   1 ? 
ATOM   1279 C CB  A GLU A 1 168 ? -8.662  -27.447 10.101  0.420 19.450 0 168 GLU A CB  1 ? 
ATOM   1280 C CB  B GLU A 1 168 ? -8.641  -27.503 10.118  0.580 19.276 0 168 GLU A CB  1 ? 
ATOM   1281 C CG  A GLU A 1 168 ? -9.340  -28.487 9.212   0.420 23.566 0 168 GLU A CG  1 ? 
ATOM   1282 C CG  B GLU A 1 168 ? -8.955  -28.521 11.208  0.580 24.703 0 168 GLU A CG  1 ? 
ATOM   1283 C CD  A GLU A 1 168 ? -10.827 -28.208 9.048   0.420 30.363 0 168 GLU A CD  1 ? 
ATOM   1284 C CD  B GLU A 1 168 ? -8.210  -29.835 11.012  0.580 25.999 0 168 GLU A CD  1 ? 
ATOM   1285 O OE1 A GLU A 1 168 ? -11.568 -28.241 10.056  0.420 32.217 0 168 GLU A OE1 1 ? 
ATOM   1286 O OE1 B GLU A 1 168 ? -8.624  -30.511 10.043  0.580 34.272 0 168 GLU A OE1 1 ? 
ATOM   1287 O OE2 A GLU A 1 168 ? -11.250 -27.903 7.912   0.420 40.223 0 168 GLU A OE2 1 ? 
ATOM   1288 O OE2 B GLU A 1 168 ? -7.169  -30.129 11.665  0.580 25.977 0 168 GLU A OE2 1 ? 
ATOM   1289 N N   . TYR A 1 169 ? -6.879  -25.489 8.316   1.000 14.492 0 169 TYR A N   1 ? 
ATOM   1290 C CA  . TYR A 1 169 ? -6.634  -24.898 7.005   1.000 13.809 0 169 TYR A CA  1 ? 
ATOM   1291 C C   . TYR A 1 169 ? -5.160  -24.917 6.657   1.000 14.958 0 169 TYR A C   1 ? 
ATOM   1292 O O   . TYR A 1 169 ? -4.849  -25.265 5.509   1.000 15.950 0 169 TYR A O   1 ? 
ATOM   1293 C CB  . TYR A 1 169 ? -7.147  -23.468 6.965   1.000 14.551 0 169 TYR A CB  1 ? 
ATOM   1294 C CG  . TYR A 1 169 ? -8.650  -23.371 7.097   1.000 13.998 0 169 TYR A CG  1 ? 
ATOM   1295 C CD1 . TYR A 1 169 ? -9.520  -24.035 6.239   1.000 16.170 0 169 TYR A CD1 1 ? 
ATOM   1296 C CD2 . TYR A 1 169 ? -9.212  -22.630 8.121   1.000 14.699 0 169 TYR A CD2 1 ? 
ATOM   1297 C CE1 . TYR A 1 169 ? -10.884 -23.946 6.381   1.000 17.383 0 169 TYR A CE1 1 ? 
ATOM   1298 C CE2 . TYR A 1 169 ? -10.579 -22.523 8.274   1.000 15.458 0 169 TYR A CE2 1 ? 
ATOM   1299 C CZ  . TYR A 1 169 ? -11.411 -23.187 7.399   1.000 17.154 0 169 TYR A CZ  1 ? 
ATOM   1300 O OH  . TYR A 1 169 ? -12.771 -23.074 7.574   1.000 18.666 0 169 TYR A OH  1 ? 
ATOM   1301 N N   . SER A 1 170 ? -4.235  -24.606 7.566   1.000 13.904 0 170 SER A N   1 ? 
ATOM   1302 C CA  . SER A 1 170 ? -2.822  -24.651 7.252   1.000 14.953 0 170 SER A CA  1 ? 
ATOM   1303 C C   . SER A 1 170 ? -2.424  -26.080 6.934   1.000 14.339 0 170 SER A C   1 ? 
ATOM   1304 O O   . SER A 1 170 ? -1.625  -26.320 6.016   1.000 15.689 0 170 SER A O   1 ? 
ATOM   1305 C CB  . SER A 1 170 ? -1.946  -24.075 8.309   1.000 14.853 0 170 SER A CB  1 ? 
ATOM   1306 O OG  . SER A 1 170 ? -1.831  -24.905 9.470   1.000 15.855 0 170 SER A OG  1 ? 
ATOM   1307 N N   . ARG A 1 171 ? -3.002  -27.066 7.624   1.000 14.514 0 171 ARG A N   1 ? 
ATOM   1308 C CA  . ARG A 1 171 ? -2.610  -28.453 7.420   1.000 15.383 0 171 ARG A CA  1 ? 
ATOM   1309 C C   . ARG A 1 171 ? -3.051  -28.928 6.050   1.000 14.668 0 171 ARG A C   1 ? 
ATOM   1310 O O   . ARG A 1 171 ? -2.400  -29.860 5.540   1.000 16.922 0 171 ARG A O   1 ? 
ATOM   1311 C CB  . ARG A 1 171 ? -3.224  -29.349 8.509   1.000 17.142 0 171 ARG A CB  1 ? 
ATOM   1312 C CG  . ARG A 1 171 ? -2.557  -29.162 9.851   1.000 17.920 0 171 ARG A CG  1 ? 
ATOM   1313 C CD  . ARG A 1 171 ? -3.226  -30.167 10.838  1.000 21.474 0 171 ARG A CD  1 ? 
ATOM   1314 N NE  . ARG A 1 171 ? -2.671  -29.968 12.164  1.000 23.310 0 171 ARG A NE  1 ? 
ATOM   1315 C CZ  . ARG A 1 171 ? -3.283  -29.278 13.133  1.000 21.664 0 171 ARG A CZ  1 ? 
ATOM   1316 N NH1 . ARG A 1 171 ? -4.435  -28.705 12.916  1.000 24.152 0 171 ARG A NH1 1 ? 
ATOM   1317 N NH2 . ARG A 1 171 ? -2.708  -29.198 14.313  1.000 25.091 0 171 ARG A NH2 1 ? 
ATOM   1318 N N   . PHE A 1 172 ? -4.094  -28.364 5.475   1.000 14.808 0 172 PHE A N   1 ? 
ATOM   1319 C CA  . PHE A 1 172 ? -4.501  -28.668 4.112   1.000 14.919 0 172 PHE A CA  1 ? 
ATOM   1320 C C   . PHE A 1 172 ? -3.369  -28.325 3.143   1.000 15.946 0 172 PHE A C   1 ? 
ATOM   1321 O O   . PHE A 1 172 ? -2.934  -29.159 2.352   1.000 16.789 0 172 PHE A O   1 ? 
ATOM   1322 C CB  . PHE A 1 172 ? -5.797  -27.979 3.777   1.000 17.515 0 172 PHE A CB  1 ? 
ATOM   1323 C CG  . PHE A 1 172 ? -6.013  -27.871 2.286   1.000 16.744 0 172 PHE A CG  1 ? 
ATOM   1324 C CD1 . PHE A 1 172 ? -6.399  -28.983 1.566   1.000 17.673 0 172 PHE A CD1 1 ? 
ATOM   1325 C CD2 . PHE A 1 172 ? -5.743  -26.693 1.617   1.000 18.527 0 172 PHE A CD2 1 ? 
ATOM   1326 C CE1 . PHE A 1 172 ? -6.524  -28.913 0.173   1.000 19.189 0 172 PHE A CE1 1 ? 
ATOM   1327 C CE2 . PHE A 1 172 ? -5.895  -26.632 0.235   1.000 19.700 0 172 PHE A CE2 1 ? 
ATOM   1328 C CZ  . PHE A 1 172 ? -6.304  -27.736 -0.472  1.000 19.565 0 172 PHE A CZ  1 ? 
ATOM   1329 N N   . PHE A 1 173 ? -2.850  -27.093 3.234   1.000 14.498 0 173 PHE A N   1 ? 
ATOM   1330 C CA  . PHE A 1 173 ? -1.784  -26.693 2.347   1.000 14.466 0 173 PHE A CA  1 ? 
ATOM   1331 C C   . PHE A 1 173 ? -0.566  -27.545 2.591   1.000 15.181 0 173 PHE A C   1 ? 
ATOM   1332 O O   . PHE A 1 173 ? 0.125   -27.874 1.668   1.000 16.732 0 173 PHE A O   1 ? 
ATOM   1333 C CB  . PHE A 1 173 ? -1.497  -25.218 2.545   1.000 15.136 0 173 PHE A CB  1 ? 
ATOM   1334 C CG  . PHE A 1 173 ? -2.536  -24.262 2.033   1.000 13.568 0 173 PHE A CG  1 ? 
ATOM   1335 C CD1 . PHE A 1 173 ? -2.530  -23.897 0.714   1.000 14.719 0 173 PHE A CD1 1 ? 
ATOM   1336 C CD2 . PHE A 1 173 ? -3.536  -23.785 2.845   1.000 15.337 0 173 PHE A CD2 1 ? 
ATOM   1337 C CE1 . PHE A 1 173 ? -3.467  -23.005 0.220   1.000 17.179 0 173 PHE A CE1 1 ? 
ATOM   1338 C CE2 . PHE A 1 173 ? -4.486  -22.938 2.338   1.000 17.116 0 173 PHE A CE2 1 ? 
ATOM   1339 C CZ  . PHE A 1 173 ? -4.462  -22.566 1.012   1.000 17.617 0 173 PHE A CZ  1 ? 
ATOM   1340 N N   . LYS A 1 174 ? -0.265  -27.891 3.821   1.000 14.908 0 174 LYS A N   1 ? 
ATOM   1341 C CA  . LYS A 1 174 ? 0.947   -28.572 4.204   1.000 14.519 0 174 LYS A CA  1 ? 
ATOM   1342 C C   . LYS A 1 174 ? 0.896   -30.032 3.731   1.000 16.661 0 174 LYS A C   1 ? 
ATOM   1343 O O   . LYS A 1 174 ? 1.937   -30.565 3.320   1.000 18.475 0 174 LYS A O   1 ? 
ATOM   1344 C CB  . LYS A 1 174 ? 1.157   -28.482 5.709   1.000 16.283 0 174 LYS A CB  1 ? 
ATOM   1345 C CG  . LYS A 1 174 ? 2.592   -28.833 6.110   1.000 18.026 0 174 LYS A CG  1 ? 
ATOM   1346 C CD  . LYS A 1 174 ? 3.628   -27.840 5.590   1.000 20.279 0 174 LYS A CD  1 ? 
ATOM   1347 C CE  . LYS A 1 174 ? 5.000   -28.050 6.192   1.000 22.716 0 174 LYS A CE  1 ? 
ATOM   1348 N NZ  . LYS A 1 174 ? 5.891   -26.999 5.724   1.000 23.039 0 174 LYS A NZ  1 ? 
ATOM   1349 N N   . ARG A 1 175 ? -0.286  -30.643 3.743   1.000 15.970 0 175 ARG A N   1 ? 
ATOM   1350 C CA  . ARG A 1 175 ? -0.424  -32.027 3.295   1.000 17.891 0 175 ARG A CA  1 ? 
ATOM   1351 C C   . ARG A 1 175 ? -0.136  -32.100 1.790   1.000 19.953 0 175 ARG A C   1 ? 
ATOM   1352 O O   . ARG A 1 175 ? 0.509   -33.044 1.343   1.000 21.638 0 175 ARG A O   1 ? 
ATOM   1353 C CB  . ARG A 1 175 ? -1.842  -32.459 3.642   1.000 22.376 0 175 ARG A CB  1 ? 
ATOM   1354 C CG  . ARG A 1 175 ? -2.227  -33.797 3.036   1.000 26.510 0 175 ARG A CG  1 ? 
ATOM   1355 C CD  . ARG A 1 175 ? -3.588  -34.261 3.555   1.000 26.151 0 175 ARG A CD  1 ? 
ATOM   1356 N NE  . ARG A 1 175 ? -4.786  -33.512 3.147   1.000 29.372 0 175 ARG A NE  1 ? 
ATOM   1357 C CZ  . ARG A 1 175 ? -5.492  -33.679 2.019   1.000 30.940 0 175 ARG A CZ  1 ? 
ATOM   1358 N NH1 . ARG A 1 175 ? -4.999  -34.418 1.052   1.000 34.091 0 175 ARG A NH1 1 ? 
ATOM   1359 N NH2 . ARG A 1 175 ? -6.624  -33.042 1.832   1.000 33.577 0 175 ARG A NH2 1 ? 
ATOM   1360 N N   . LEU A 1 176 ? -0.584  -31.121 1.026   1.000 17.221 0 176 LEU A N   1 ? 
ATOM   1361 C CA  . LEU A 1 176 ? -0.439  -31.153 -0.428  1.000 17.855 0 176 LEU A CA  1 ? 
ATOM   1362 C C   . LEU A 1 176 ? 0.931   -30.643 -0.845  1.000 19.393 0 176 LEU A C   1 ? 
ATOM   1363 O O   . LEU A 1 176 ? 1.448   -31.125 -1.873  1.000 19.652 0 176 LEU A O   1 ? 
ATOM   1364 C CB  . LEU A 1 176 ? -1.559  -30.372 -1.114  1.000 19.344 0 176 LEU A CB  1 ? 
ATOM   1365 C CG  . LEU A 1 176 ? -2.906  -31.109 -1.157  1.000 26.183 0 176 LEU A CG  1 ? 
ATOM   1366 C CD1 . LEU A 1 176 ? -3.894  -30.363 -1.999  1.000 29.000 0 176 LEU A CD1 1 ? 
ATOM   1367 C CD2 . LEU A 1 176 ? -2.748  -32.518 -1.710  1.000 30.780 0 176 LEU A CD2 1 ? 
ATOM   1368 N N   . CYS A 1 177 ? 1.539   -29.730 -0.079  1.000 16.293 0 177 CYS A N   1 ? 
ATOM   1369 C CA  . CYS A 1 177 ? 2.825   -29.143 -0.424  1.000 17.499 0 177 CYS A CA  1 ? 
ATOM   1370 C C   . CYS A 1 177 ? 3.681   -29.023 0.822   1.000 17.055 0 177 CYS A C   1 ? 
ATOM   1371 O O   . CYS A 1 177 ? 3.792   -27.962 1.433   1.000 16.664 0 177 CYS A O   1 ? 
ATOM   1372 C CB  . CYS A 1 177 ? 2.632   -27.771 -1.051  1.000 17.131 0 177 CYS A CB  1 ? 
ATOM   1373 S SG  . CYS A 1 177 ? 2.186   -27.970 -2.792  1.000 17.549 0 177 CYS A SG  1 ? 
ATOM   1374 N N   . PRO A 1 178 ? 4.308   -30.118 1.258   1.000 17.005 0 178 PRO A N   1 ? 
ATOM   1375 C CA  . PRO A 1 178 ? 5.124   -30.080 2.451   1.000 19.213 0 178 PRO A CA  1 ? 
ATOM   1376 C C   . PRO A 1 178 ? 6.298   -29.133 2.425   1.000 19.636 0 178 PRO A C   1 ? 
ATOM   1377 O O   . PRO A 1 178 ? 6.769   -28.714 3.452   1.000 21.924 0 178 PRO A O   1 ? 
ATOM   1378 C CB  . PRO A 1 178 ? 5.585   -31.537 2.655   1.000 23.587 0 178 PRO A CB  1 ? 
ATOM   1379 C CG  . PRO A 1 178 ? 4.910   -32.325 1.588   1.000 25.963 0 178 PRO A CG  1 ? 
ATOM   1380 C CD  . PRO A 1 178 ? 4.149   -31.451 0.649   1.000 20.749 0 178 PRO A CD  1 ? 
ATOM   1381 N N   . ASP A 1 179 ? 6.797   -28.834 1.232   1.000 19.521 0 179 ASP A N   1 ? 
ATOM   1382 C CA  A ASP A 1 179 ? 8.018   -28.057 1.130   0.880 21.112 0 179 ASP A CA  1 ? 
ATOM   1383 C CA  B ASP A 1 179 ? 8.027   -28.071 1.139   0.120 20.199 0 179 ASP A CA  1 ? 
ATOM   1384 C C   . ASP A 1 179 ? 7.733   -26.575 0.977   1.000 21.787 0 179 ASP A C   1 ? 
ATOM   1385 O O   . ASP A 1 179 ? 8.632   -25.834 0.645   1.000 25.284 0 179 ASP A O   1 ? 
ATOM   1386 C CB  A ASP A 1 179 ? 8.831   -28.480 -0.084  0.880 24.747 0 179 ASP A CB  1 ? 
ATOM   1387 C CB  B ASP A 1 179 ? 8.933   -28.708 0.095   0.120 20.209 0 179 ASP A CB  1 ? 
ATOM   1388 C CG  A ASP A 1 179 ? 9.606   -29.770 0.131   0.880 33.045 0 179 ASP A CG  1 ? 
ATOM   1389 C CG  B ASP A 1 179 ? 9.098   -30.219 0.234   0.120 20.372 0 179 ASP A CG  1 ? 
ATOM   1390 O OD1 A ASP A 1 179 ? 9.944   -30.082 1.310   0.880 40.644 0 179 ASP A OD1 1 ? 
ATOM   1391 O OD1 B ASP A 1 179 ? 9.348   -30.692 1.368   0.120 19.701 0 179 ASP A OD1 1 ? 
ATOM   1392 O OD2 A ASP A 1 179 ? 9.800   -30.483 -0.865  0.880 35.945 0 179 ASP A OD2 1 ? 
ATOM   1393 O OD2 B ASP A 1 179 ? 8.979   -30.918 -0.787  0.120 20.021 0 179 ASP A OD2 1 ? 
ATOM   1394 N N   . ALA A 1 180 ? 6.491   -26.144 1.209   1.000 17.103 0 180 ALA A N   1 ? 
ATOM   1395 C CA  . ALA A 1 180 ? 6.109   -24.741 1.223   1.000 15.979 0 180 ALA A CA  1 ? 
ATOM   1396 C C   . ALA A 1 180 ? 5.616   -24.304 2.599   1.000 16.502 0 180 ALA A C   1 ? 
ATOM   1397 O O   . ALA A 1 180 ? 4.986   -25.098 3.297   1.000 17.630 0 180 ALA A O   1 ? 
ATOM   1398 C CB  . ALA A 1 180 ? 5.036   -24.458 0.218   1.000 17.539 0 180 ALA A CB  1 ? 
ATOM   1399 N N   . PHE A 1 181 ? 5.866   -23.049 2.961   1.000 14.785 0 181 PHE A N   1 ? 
ATOM   1400 C CA  . PHE A 1 181 ? 5.298   -22.522 4.195   1.000 15.462 0 181 PHE A CA  1 ? 
ATOM   1401 C C   . PHE A 1 181 ? 3.785   -22.577 4.133   1.000 15.953 0 181 PHE A C   1 ? 
ATOM   1402 O O   . PHE A 1 181 ? 3.182   -22.100 3.187   1.000 15.884 0 181 PHE A O   1 ? 
ATOM   1403 C CB  . PHE A 1 181 ? 5.719   -21.088 4.418   1.000 16.404 0 181 PHE A CB  1 ? 
ATOM   1404 C CG  . PHE A 1 181 ? 7.129   -20.900 4.914   1.000 18.488 0 181 PHE A CG  1 ? 
ATOM   1405 C CD1 . PHE A 1 181 ? 8.200   -20.872 4.041   1.000 21.414 0 181 PHE A CD1 1 ? 
ATOM   1406 C CD2 . PHE A 1 181 ? 7.356   -20.813 6.278   1.000 19.974 0 181 PHE A CD2 1 ? 
ATOM   1407 C CE1 . PHE A 1 181 ? 9.484   -20.694 4.560   1.000 22.628 0 181 PHE A CE1 1 ? 
ATOM   1408 C CE2 . PHE A 1 181 ? 8.637   -20.697 6.783   1.000 21.288 0 181 PHE A CE2 1 ? 
ATOM   1409 C CZ  . PHE A 1 181 ? 9.680   -20.573 5.922   1.000 22.454 0 181 PHE A CZ  1 ? 
ATOM   1410 N N   . SER A 1 182 ? 3.168   -23.054 5.228   1.000 15.444 0 182 SER A N   1 ? 
ATOM   1411 C CA  . SER A 1 182 ? 1.718   -23.166 5.284   1.000 15.381 0 182 SER A CA  1 ? 
ATOM   1412 C C   . SER A 1 182 ? 1.094   -22.168 6.254   1.000 15.824 0 182 SER A C   1 ? 
ATOM   1413 O O   . SER A 1 182 ? -0.118  -21.947 6.151   1.000 17.499 0 182 SER A O   1 ? 
ATOM   1414 C CB  . SER A 1 182 ? 1.283   -24.543 5.599   1.000 16.719 0 182 SER A CB  1 ? 
ATOM   1415 O OG  . SER A 1 182 ? 1.665   -24.931 6.918   1.000 17.476 0 182 SER A OG  1 ? 
ATOM   1416 N N   . TYR A 1 183 ? 1.867   -21.641 7.185   1.000 15.223 0 183 TYR A N   1 ? 
ATOM   1417 C CA  . TYR A 1 183 ? 1.414   -20.600 8.107   1.000 16.058 0 183 TYR A CA  1 ? 
ATOM   1418 C C   . TYR A 1 183 ? 2.654   -19.880 8.619   1.000 18.732 0 183 TYR A C   1 ? 
ATOM   1419 O O   . TYR A 1 183 ? 3.777   -20.335 8.372   1.000 18.102 0 183 TYR A O   1 ? 
ATOM   1420 C CB  . TYR A 1 183 ? 0.527   -21.151 9.233   1.000 17.207 0 183 TYR A CB  1 ? 
ATOM   1421 C CG  . TYR A 1 183 ? 1.219   -21.959 10.304  1.000 16.277 0 183 TYR A CG  1 ? 
ATOM   1422 C CD1 . TYR A 1 183 ? 1.666   -23.241 10.065  1.000 17.744 0 183 TYR A CD1 1 ? 
ATOM   1423 C CD2 . TYR A 1 183 ? 1.422   -21.418 11.592  1.000 18.085 0 183 TYR A CD2 1 ? 
ATOM   1424 C CE1 . TYR A 1 183 ? 2.308   -23.977 11.050  1.000 18.509 0 183 TYR A CE1 1 ? 
ATOM   1425 C CE2 . TYR A 1 183 ? 2.012   -22.168 12.600  1.000 18.685 0 183 TYR A CE2 1 ? 
ATOM   1426 C CZ  . TYR A 1 183 ? 2.485   -23.425 12.307  1.000 20.430 0 183 TYR A CZ  1 ? 
ATOM   1427 O OH  . TYR A 1 183 ? 3.093   -24.158 13.304  1.000 24.545 0 183 TYR A OH  1 ? 
ATOM   1428 N N   . VAL A 1 184 ? 2.467   -18.789 9.356   1.000 20.489 0 184 VAL A N   1 ? 
ATOM   1429 C CA  . VAL A 1 184 ? 3.605   -17.898 9.616   1.000 21.032 0 184 VAL A CA  1 ? 
ATOM   1430 C C   . VAL A 1 184 ? 4.679   -18.622 10.413  1.000 22.164 0 184 VAL A C   1 ? 
ATOM   1431 O O   . VAL A 1 184 ? 5.867   -18.401 10.127  1.000 23.531 0 184 VAL A O   1 ? 
ATOM   1432 C CB  . VAL A 1 184 ? 3.120   -16.615 10.338  1.000 24.710 0 184 VAL A CB  1 ? 
ATOM   1433 C CG1 . VAL A 1 184 ? 4.277   -15.807 10.925  1.000 27.892 0 184 VAL A CG1 1 ? 
ATOM   1434 C CG2 . VAL A 1 184 ? 2.258   -15.775 9.438   1.000 26.790 0 184 VAL A CG2 1 ? 
ATOM   1435 N N   . LEU A 1 185 ? 4.318   -19.445 11.403  1.000 21.084 0 185 LEU A N   1 ? 
ATOM   1436 C CA  . LEU A 1 185 ? 5.288   -20.044 12.304  1.000 23.769 0 185 LEU A CA  1 ? 
ATOM   1437 C C   . LEU A 1 185 ? 5.586   -21.488 11.925  1.000 22.655 0 185 LEU A C   1 ? 
ATOM   1438 O O   . LEU A 1 185 ? 6.041   -22.295 12.729  1.000 24.920 0 185 LEU A O   1 ? 
ATOM   1439 C CB  . LEU A 1 185 ? 4.872   -19.944 13.770  1.000 26.697 0 185 LEU A CB  1 ? 
ATOM   1440 C CG  . LEU A 1 185 ? 4.975   -18.559 14.393  1.000 30.507 0 185 LEU A CG  1 ? 
ATOM   1441 C CD1 . LEU A 1 185 ? 4.495   -18.736 15.827  1.000 28.950 0 185 LEU A CD1 1 ? 
ATOM   1442 C CD2 . LEU A 1 185 ? 6.369   -17.952 14.319  1.000 34.360 0 185 LEU A CD2 1 ? 
ATOM   1443 N N   . ASP A 1 186 ? 5.313   -21.871 10.668  1.000 21.046 0 186 ASP A N   1 ? 
ATOM   1444 C CA  . ASP A 1 186 ? 5.612   -23.200 10.194  1.000 19.371 0 186 ASP A CA  1 ? 
ATOM   1445 C C   . ASP A 1 186 ? 7.107   -23.500 10.352  1.000 20.561 0 186 ASP A C   1 ? 
ATOM   1446 O O   . ASP A 1 186 ? 7.894   -22.574 10.243  1.000 24.151 0 186 ASP A O   1 ? 
ATOM   1447 C CB  . ASP A 1 186 ? 5.183   -23.287 8.742   1.000 18.278 0 186 ASP A CB  1 ? 
ATOM   1448 C CG  . ASP A 1 186 ? 4.843   -24.677 8.252   1.000 18.747 0 186 ASP A CG  1 ? 
ATOM   1449 O OD1 . ASP A 1 186 ? 5.042   -25.671 8.980   1.000 21.635 0 186 ASP A OD1 1 ? 
ATOM   1450 O OD2 . ASP A 1 186 ? 4.362   -24.812 7.111   1.000 19.062 0 186 ASP A OD2 1 ? 
ATOM   1451 N N   . LYS A 1 187 ? 7.457   -24.760 10.540  1.000 24.377 0 187 LYS A N   1 ? 
ATOM   1452 C CA  . LYS A 1 187 ? 8.858   -25.139 10.543  1.000 26.046 0 187 LYS A CA  1 ? 
ATOM   1453 C C   . LYS A 1 187 ? 9.443   -24.707 9.189   1.000 22.886 0 187 LYS A C   1 ? 
ATOM   1454 O O   . LYS A 1 187 ? 8.875   -25.004 8.152   1.000 26.025 0 187 LYS A O   1 ? 
ATOM   1455 C CB  . LYS A 1 187 ? 8.988   -26.653 10.747  1.000 31.213 0 187 LYS A CB  1 ? 
ATOM   1456 C CG  . LYS A 1 187 ? 10.401  -27.209 10.838  1.000 41.920 0 187 LYS A CG  1 ? 
ATOM   1457 C CD  . LYS A 1 187 ? 10.372  -28.727 10.998  1.000 49.920 0 187 LYS A CD  1 ? 
ATOM   1458 C CE  . LYS A 1 187 ? 10.463  -29.477 9.698   1.000 54.358 0 187 LYS A CE  1 ? 
ATOM   1459 N NZ  . LYS A 1 187 ? 11.863  -29.778 9.387   0.900 55.801 0 187 LYS A NZ  1 ? 
ATOM   1460 N N   . PRO A 1 188 ? 10.536  -23.924 9.163   1.000 25.774 0 188 PRO A N   1 ? 
ATOM   1461 C CA  . PRO A 1 188 ? 10.996  -23.335 7.903   1.000 27.023 0 188 PRO A CA  1 ? 
ATOM   1462 C C   . PRO A 1 188 ? 11.373  -24.390 6.879   1.000 24.987 0 188 PRO A C   1 ? 
ATOM   1463 O O   . PRO A 1 188 ? 12.000  -25.391 7.186   1.000 27.112 0 188 PRO A O   1 ? 
ATOM   1464 C CB  . PRO A 1 188 ? 12.158  -22.434 8.291   1.000 29.130 0 188 PRO A CB  1 ? 
ATOM   1465 C CG  . PRO A 1 188 ? 11.927  -22.180 9.767   1.000 34.759 0 188 PRO A CG  1 ? 
ATOM   1466 C CD  . PRO A 1 188 ? 11.315  -23.455 10.325  1.000 31.881 0 188 PRO A CD  1 ? 
ATOM   1467 N N   . THR A 1 189 ? 10.958  -24.115 5.646   1.000 22.998 0 189 THR A N   1 ? 
ATOM   1468 C CA  . THR A 1 189 ? 11.376  -24.904 4.499   1.000 23.870 0 189 THR A CA  1 ? 
ATOM   1469 C C   . THR A 1 189 ? 12.292  -24.088 3.597   1.000 23.488 0 189 THR A C   1 ? 
ATOM   1470 O O   . THR A 1 189 ? 12.425  -24.403 2.417   1.000 24.501 0 189 THR A O   1 ? 
ATOM   1471 C CB  . THR A 1 189 ? 10.143  -25.384 3.752   1.000 24.736 0 189 THR A CB  1 ? 
ATOM   1472 O OG1 . THR A 1 189 ? 9.347   -24.234 3.523   1.000 26.887 0 189 THR A OG1 1 ? 
ATOM   1473 C CG2 . THR A 1 189 ? 9.491   -26.500 4.549   1.000 28.751 0 189 THR A CG2 1 ? 
ATOM   1474 N N   . THR A 1 190 ? 12.947  -23.097 4.173   1.000 22.701 0 190 THR A N   1 ? 
ATOM   1475 C CA  . THR A 1 190 ? 13.890  -22.270 3.445   1.000 22.456 0 190 THR A CA  1 ? 
ATOM   1476 C C   . THR A 1 190 ? 15.076  -23.137 3.040   1.000 23.641 0 190 THR A C   1 ? 
ATOM   1477 O O   . THR A 1 190 ? 15.543  -23.974 3.823   1.000 24.695 0 190 THR A O   1 ? 
ATOM   1478 C CB  . THR A 1 190 ? 14.285  -21.112 4.361   1.000 25.943 0 190 THR A CB  1 ? 
ATOM   1479 O OG1 . THR A 1 190 ? 13.079  -20.455 4.751   1.000 28.611 0 190 THR A OG1 1 ? 
ATOM   1480 C CG2 . THR A 1 190 ? 15.125  -20.048 3.678   1.000 24.809 0 190 THR A CG2 1 ? 
ATOM   1481 N N   . VAL A 1 191 ? 15.599  -22.866 1.850   1.000 20.985 0 191 VAL A N   1 ? 
ATOM   1482 C CA  . VAL A 1 191 ? 16.817  -23.478 1.357   1.000 21.275 0 191 VAL A CA  1 ? 
ATOM   1483 C C   . VAL A 1 191 ? 17.900  -22.420 1.347   1.000 19.873 0 191 VAL A C   1 ? 
ATOM   1484 O O   . VAL A 1 191 ? 17.696  -21.290 0.897   1.000 21.432 0 191 VAL A O   1 ? 
ATOM   1485 C CB  . VAL A 1 191 ? 16.594  -24.048 -0.052  1.000 23.509 0 191 VAL A CB  1 ? 
ATOM   1486 C CG1 . VAL A 1 191 ? 17.910  -24.484 -0.707  1.000 26.770 0 191 VAL A CG1 1 ? 
ATOM   1487 C CG2 . VAL A 1 191 ? 15.566  -25.157 -0.017  1.000 25.631 0 191 VAL A CG2 1 ? 
ATOM   1488 N N   . THR A 1 192 ? 19.094  -22.836 1.806   1.000 22.104 0 192 THR A N   1 ? 
ATOM   1489 C CA  . THR A 1 192 ? 20.242  -21.960 1.804   1.000 22.869 0 192 THR A CA  1 ? 
ATOM   1490 C C   . THR A 1 192 ? 21.066  -22.322 0.578   1.000 19.654 0 192 THR A C   1 ? 
ATOM   1491 O O   . THR A 1 192 ? 21.427  -23.492 0.417   1.000 24.391 0 192 THR A O   1 ? 
ATOM   1492 C CB  . THR A 1 192 ? 21.079  -22.134 3.075   1.000 25.323 0 192 THR A CB  1 ? 
ATOM   1493 O OG1 . THR A 1 192 ? 20.260  -21.867 4.212   1.000 28.305 0 192 THR A OG1 1 ? 
ATOM   1494 C CG2 . THR A 1 192 ? 22.256  -21.179 3.079   1.000 27.204 0 192 THR A CG2 1 ? 
ATOM   1495 N N   . CYS A 1 193 ? 21.326  -21.318 -0.262  1.000 20.061 0 193 CYS A N   1 ? 
ATOM   1496 C CA  . CYS A 1 193 ? 22.147  -21.474 -1.451  1.000 22.592 0 193 CYS A CA  1 ? 
ATOM   1497 C C   . CYS A 1 193 ? 23.386  -20.592 -1.327  1.000 22.783 0 193 CYS A C   1 ? 
ATOM   1498 O O   . CYS A 1 193 ? 23.433  -19.612 -0.589  1.000 21.966 0 193 CYS A O   1 ? 
ATOM   1499 C CB  . CYS A 1 193 ? 21.410  -21.042 -2.718  1.000 23.272 0 193 CYS A CB  1 ? 
ATOM   1500 S SG  . CYS A 1 193 ? 20.036  -22.139 -3.141  1.000 23.526 0 193 CYS A SG  1 ? 
ATOM   1501 N N   . PRO A 1 194 ? 24.454  -20.873 -2.099  1.000 24.823 0 194 PRO A N   1 ? 
ATOM   1502 C CA  . PRO A 1 194 ? 25.592  -19.966 -2.137  1.000 26.079 0 194 PRO A CA  1 ? 
ATOM   1503 C C   . PRO A 1 194 ? 25.151  -18.570 -2.522  1.000 25.062 0 194 PRO A C   1 ? 
ATOM   1504 O O   . PRO A 1 194 ? 24.289  -18.403 -3.390  1.000 23.662 0 194 PRO A O   1 ? 
ATOM   1505 C CB  . PRO A 1 194 ? 26.456  -20.581 -3.247  1.000 28.242 0 194 PRO A CB  1 ? 
ATOM   1506 C CG  . PRO A 1 194 ? 26.160  -22.018 -3.174  1.000 27.026 0 194 PRO A CG  1 ? 
ATOM   1507 C CD  . PRO A 1 194 ? 24.652  -22.094 -2.886  1.000 28.791 0 194 PRO A CD  1 ? 
ATOM   1508 N N   . GLY A 1 195 ? 25.778  -17.559 -1.946  1.000 22.759 0 195 GLY A N   1 ? 
ATOM   1509 C CA  . GLY A 1 195 ? 25.554  -16.196 -2.373  1.000 22.207 0 195 GLY A CA  1 ? 
ATOM   1510 C C   . GLY A 1 195 ? 25.808  -16.057 -3.865  1.000 23.293 0 195 GLY A C   1 ? 
ATOM   1511 O O   . GLY A 1 195 ? 26.743  -16.696 -4.397  1.000 25.156 0 195 GLY A O   1 ? 
ATOM   1512 N N   . SER A 1 196 ? 24.942  -15.260 -4.504  1.000 20.844 0 196 SER A N   1 ? 
ATOM   1513 C CA  . SER A 1 196 ? 25.051  -14.913 -5.903  1.000 20.976 0 196 SER A CA  1 ? 
ATOM   1514 C C   . SER A 1 196 ? 24.744  -16.103 -6.814  1.000 22.548 0 196 SER A C   1 ? 
ATOM   1515 O O   . SER A 1 196 ? 25.234  -16.167 -7.957  1.000 23.617 0 196 SER A O   1 ? 
ATOM   1516 C CB  . SER A 1 196 ? 26.412  -14.339 -6.211  1.000 24.355 0 196 SER A CB  1 ? 
ATOM   1517 O OG  . SER A 1 196 ? 26.573  -13.066 -5.609  1.000 28.800 0 196 SER A OG  1 ? 
ATOM   1518 N N   . SER A 1 197 ? 23.872  -17.013 -6.371  1.000 22.154 0 197 SER A N   1 ? 
ATOM   1519 C CA  . SER A 1 197 ? 23.297  -18.035 -7.234  1.000 20.836 0 197 SER A CA  1 ? 
ATOM   1520 C C   . SER A 1 197 ? 22.313  -17.412 -8.222  1.000 18.759 0 197 SER A C   1 ? 
ATOM   1521 O O   . SER A 1 197 ? 21.883  -16.288 -8.066  1.000 20.697 0 197 SER A O   1 ? 
ATOM   1522 C CB  . SER A 1 197 ? 22.612  -19.094 -6.415  1.000 21.979 0 197 SER A CB  1 ? 
ATOM   1523 O OG  . SER A 1 197 ? 23.516  -19.801 -5.547  1.000 23.100 0 197 SER A OG  1 ? 
ATOM   1524 N N   . ASN A 1 198 ? 22.026  -18.161 -9.291  1.000 19.197 0 198 ASN A N   1 ? 
ATOM   1525 C CA  . ASN A 1 198 ? 21.009  -17.797 -10.263 1.000 18.047 0 198 ASN A CA  1 ? 
ATOM   1526 C C   . ASN A 1 198 ? 19.925  -18.869 -10.177 1.000 17.304 0 198 ASN A C   1 ? 
ATOM   1527 O O   . ASN A 1 198 ? 20.108  -19.975 -9.704  1.000 18.391 0 198 ASN A O   1 ? 
ATOM   1528 C CB  . ASN A 1 198 ? 21.560  -17.679 -11.687 1.000 19.679 0 198 ASN A CB  1 ? 
ATOM   1529 C CG  . ASN A 1 198 ? 22.604  -16.599 -11.815 1.000 20.717 0 198 ASN A CG  1 ? 
ATOM   1530 O OD1 . ASN A 1 198 ? 22.474  -15.487 -11.317 1.000 21.924 0 198 ASN A OD1 1 ? 
ATOM   1531 N ND2 . ASN A 1 198 ? 23.656  -16.919 -12.563 1.000 28.220 0 198 ASN A ND2 1 ? 
ATOM   1532 N N   . TYR A 1 199 ? 18.738  -18.463 -10.689 1.000 17.738 0 199 TYR A N   1 ? 
ATOM   1533 C CA  . TYR A 1 199 ? 17.544  -19.259 -10.443 1.000 17.015 0 199 TYR A CA  1 ? 
ATOM   1534 C C   . TYR A 1 199 ? 16.603  -19.304 -11.647 1.000 15.713 0 199 TYR A C   1 ? 
ATOM   1535 O O   . TYR A 1 199 ? 16.631  -18.474 -12.530 1.000 16.430 0 199 TYR A O   1 ? 
ATOM   1536 C CB  . TYR A 1 199 ? 16.757  -18.626 -9.275  1.000 16.764 0 199 TYR A CB  1 ? 
ATOM   1537 C CG  . TYR A 1 199 ? 17.575  -18.568 -7.978  1.000 16.648 0 199 TYR A CG  1 ? 
ATOM   1538 C CD1 . TYR A 1 199 ? 17.689  -19.645 -7.133  1.000 16.883 0 199 TYR A CD1 1 ? 
ATOM   1539 C CD2 . TYR A 1 199 ? 18.274  -17.405 -7.673  1.000 17.930 0 199 TYR A CD2 1 ? 
ATOM   1540 C CE1 . TYR A 1 199 ? 18.466  -19.591 -5.990  1.000 17.009 0 199 TYR A CE1 1 ? 
ATOM   1541 C CE2 . TYR A 1 199 ? 19.031  -17.340 -6.516  1.000 17.354 0 199 TYR A CE2 1 ? 
ATOM   1542 C CZ  . TYR A 1 199 ? 19.135  -18.428 -5.715  1.000 17.490 0 199 TYR A CZ  1 ? 
ATOM   1543 O OH  . TYR A 1 199 ? 19.898  -18.391 -4.536  1.000 20.758 0 199 TYR A OH  1 ? 
ATOM   1544 N N   . ARG A 1 200 ? 15.696  -20.295 -11.583 1.000 16.582 0 200 ARG A N   1 ? 
ATOM   1545 C CA  . ARG A 1 200 ? 14.588  -20.428 -12.517 1.000 14.747 0 200 ARG A CA  1 ? 
ATOM   1546 C C   . ARG A 1 200 ? 13.312  -20.688 -11.702 1.000 16.042 0 200 ARG A C   1 ? 
ATOM   1547 O O   . ARG A 1 200 ? 13.323  -21.550 -10.825 1.000 17.512 0 200 ARG A O   1 ? 
ATOM   1548 C CB  . ARG A 1 200 ? 14.808  -21.571 -13.472 1.000 16.656 0 200 ARG A CB  1 ? 
ATOM   1549 C CG  . ARG A 1 200 ? 13.678  -21.789 -14.469 1.000 17.743 0 200 ARG A CG  1 ? 
ATOM   1550 C CD  . ARG A 1 200 ? 13.910  -22.892 -15.456 1.000 20.511 0 200 ARG A CD  1 ? 
ATOM   1551 N NE  . ARG A 1 200 ? 14.969  -22.479 -16.375 1.000 22.538 0 200 ARG A NE  1 ? 
ATOM   1552 C CZ  . ARG A 1 200 ? 16.120  -23.081 -16.506 1.000 26.213 0 200 ARG A CZ  1 ? 
ATOM   1553 N NH1 . ARG A 1 200 ? 16.422  -24.125 -15.800 1.000 29.460 0 200 ARG A NH1 1 ? 
ATOM   1554 N NH2 . ARG A 1 200 ? 16.997  -22.618 -17.388 1.000 26.521 0 200 ARG A NH2 1 ? 
ATOM   1555 N N   . VAL A 1 201 ? 12.308  -19.891 -12.033 1.000 14.725 0 201 VAL A N   1 ? 
ATOM   1556 C CA  . VAL A 1 201 ? 10.964  -20.118 -11.503 1.000 14.154 0 201 VAL A CA  1 ? 
ATOM   1557 C C   . VAL A 1 201 ? 10.129  -20.611 -12.667 1.000 14.741 0 201 VAL A C   1 ? 
ATOM   1558 O O   . VAL A 1 201 ? 9.997   -19.937 -13.694 1.000 16.720 0 201 VAL A O   1 ? 
ATOM   1559 C CB  . VAL A 1 201 ? 10.356  -18.813 -10.964 1.000 15.791 0 201 VAL A CB  1 ? 
ATOM   1560 C CG1 . VAL A 1 201 ? 8.910   -19.028 -10.512 1.000 18.032 0 201 VAL A CG1 1 ? 
ATOM   1561 C CG2 . VAL A 1 201 ? 11.193  -18.289 -9.806  1.000 18.114 0 201 VAL A CG2 1 ? 
ATOM   1562 N N   . THR A 1 202 ? 9.551   -21.792 -12.483 1.000 13.947 0 202 THR A N   1 ? 
ATOM   1563 C CA  . THR A 1 202 ? 8.709   -22.396 -13.511 1.000 14.556 0 202 THR A CA  1 ? 
ATOM   1564 C C   . THR A 1 202 ? 7.276   -22.521 -13.002 1.000 14.403 0 202 THR A C   1 ? 
ATOM   1565 O O   . THR A 1 202 ? 7.041   -23.207 -11.987 1.000 15.689 0 202 THR A O   1 ? 
ATOM   1566 C CB  . THR A 1 202 ? 9.210   -23.773 -13.878 1.000 16.141 0 202 THR A CB  1 ? 
ATOM   1567 O OG1 . THR A 1 202 ? 10.600  -23.761 -14.225 1.000 17.829 0 202 THR A OG1 1 ? 
ATOM   1568 C CG2 . THR A 1 202 ? 8.452   -24.373 -15.032 1.000 16.882 0 202 THR A CG2 1 ? 
ATOM   1569 N N   . PHE A 1 203 ? 6.356   -21.913 -13.705 1.000 13.625 0 203 PHE A N   1 ? 
ATOM   1570 C CA  . PHE A 1 203 ? 4.938   -22.071 -13.430 1.000 13.089 0 203 PHE A CA  1 ? 
ATOM   1571 C C   . PHE A 1 203 ? 4.463   -23.329 -14.113 1.000 14.410 0 203 PHE A C   1 ? 
ATOM   1572 O O   . PHE A 1 203 ? 4.840   -23.595 -15.272 1.000 15.436 0 203 PHE A O   1 ? 
ATOM   1573 C CB  . PHE A 1 203 ? 4.142   -20.877 -13.893 1.000 14.161 0 203 PHE A CB  1 ? 
ATOM   1574 C CG  . PHE A 1 203 ? 4.619   -19.570 -13.314 1.000 15.854 0 203 PHE A CG  1 ? 
ATOM   1575 C CD1 . PHE A 1 203 ? 4.609   -19.348 -11.945 1.000 18.796 0 203 PHE A CD1 1 ? 
ATOM   1576 C CD2 . PHE A 1 203 ? 5.051   -18.536 -14.121 1.000 17.242 0 203 PHE A CD2 1 ? 
ATOM   1577 C CE1 . PHE A 1 203 ? 5.039   -18.109 -11.437 1.000 19.321 0 203 PHE A CE1 1 ? 
ATOM   1578 C CE2 . PHE A 1 203 ? 5.401   -17.288 -13.609 1.000 19.097 0 203 PHE A CE2 1 ? 
ATOM   1579 C CZ  . PHE A 1 203 ? 5.456   -17.124 -12.266 1.000 19.395 0 203 PHE A CZ  1 ? 
ATOM   1580 N N   . CYS A 1 204 ? 3.623   -24.112 -13.437 1.000 14.075 0 204 CYS A N   1 ? 
ATOM   1581 C CA  . CYS A 1 204 ? 3.104   -25.379 -13.933 1.000 14.340 0 204 CYS A CA  1 ? 
ATOM   1582 C C   . CYS A 1 204 ? 4.233   -26.308 -14.315 1.000 15.761 0 204 CYS A C   1 ? 
ATOM   1583 O O   . CYS A 1 204 ? 4.302   -26.757 -15.462 1.000 16.150 0 204 CYS A O   1 ? 
ATOM   1584 C CB  . CYS A 1 204 ? 2.092   -25.221 -15.061 1.000 16.338 0 204 CYS A CB  1 ? 
ATOM   1585 S SG  . CYS A 1 204 ? 0.664   -24.203 -14.657 1.000 16.361 0 204 CYS A SG  1 ? 
ATOM   1586 N N   . PRO A 1 205 ? 5.109   -26.692 -13.376 1.000 15.456 0 205 PRO A N   1 ? 
ATOM   1587 C CA  . PRO A 1 205 ? 6.272   -27.502 -13.700 1.000 17.850 0 205 PRO A CA  1 ? 
ATOM   1588 C C   . PRO A 1 205 ? 5.952   -28.891 -14.205 1.000 21.604 0 205 PRO A C   1 ? 
ATOM   1589 O O   . PRO A 1 205 ? 6.789   -29.428 -14.952 1.000 24.194 0 205 PRO A O   1 ? 
ATOM   1590 C CB  . PRO A 1 205 ? 7.091   -27.516 -12.427 1.000 18.703 0 205 PRO A CB  1 ? 
ATOM   1591 C CG  . PRO A 1 205 ? 6.084   -27.257 -11.354 1.000 18.814 0 205 PRO A CG  1 ? 
ATOM   1592 C CD  . PRO A 1 205 ? 5.071   -26.302 -11.948 1.000 15.863 0 205 PRO A CD  1 ? 
ATOM   1593 N N   . THR A 1 206 ? 4.800   -29.446 -13.812 1.000 21.509 0 206 THR A N   1 ? 
ATOM   1594 C CA  . THR A 1 206 ? 4.502   -30.840 -14.145 1.000 31.189 0 206 THR A CA  1 ? 
ATOM   1595 C C   . THR A 1 206 ? 3.387   -30.889 -15.168 1.000 43.109 0 206 THR A C   1 ? 
ATOM   1596 O O   . THR A 1 206 ? 3.495   -30.135 -16.162 1.000 56.773 0 206 THR A O   1 ? 
ATOM   1597 C CB  . THR A 1 206 ? 4.142   -31.634 -12.887 1.000 35.411 0 206 THR A CB  1 ? 
ATOM   1598 O OG1 . THR A 1 206 ? 3.016   -31.019 -12.275 1.000 42.127 0 206 THR A OG1 1 ? 
ATOM   1599 C CG2 . THR A 1 206 ? 5.235   -31.621 -11.838 1.000 37.228 0 206 THR A CG2 1 ? 
HETATM 1600 O O1  . TLA B 2 .   ? 10.623  -12.544 -26.602 1.000 24.365 0 301 TLA A O1  1 ? 
HETATM 1601 O O11 . TLA B 2 .   ? 10.863  -12.311 -24.390 1.000 25.746 0 301 TLA A O11 1 ? 
HETATM 1602 C C1  . TLA B 2 .   ? 10.485  -12.908 -25.411 1.000 23.185 0 301 TLA A C1  1 ? 
HETATM 1603 C C2  . TLA B 2 .   ? 9.810   -14.264 -25.236 1.000 19.526 0 301 TLA A C2  1 ? 
HETATM 1604 O O2  . TLA B 2 .   ? 9.429   -14.515 -23.885 1.000 19.474 0 301 TLA A O2  1 ? 
HETATM 1605 C C3  . TLA B 2 .   ? 10.743  -15.373 -25.721 1.000 19.476 0 301 TLA A C3  1 ? 
HETATM 1606 O O3  . TLA B 2 .   ? 11.937  -15.398 -24.978 1.000 20.139 0 301 TLA A O3  1 ? 
HETATM 1607 C C4  . TLA B 2 .   ? 10.037  -16.719 -25.597 1.000 17.352 0 301 TLA A C4  1 ? 
HETATM 1608 O O4  . TLA B 2 .   ? 10.479  -17.446 -24.682 1.000 17.323 0 301 TLA A O4  1 ? 
HETATM 1609 O O41 . TLA B 2 .   ? 9.075   -16.934 -26.363 1.000 17.432 0 301 TLA A O41 1 ? 
HETATM 1610 O O   . HOH C 3 .   ? -11.528 -27.756 5.833   1.000 41.750 0 401 HOH A O   1 ? 
HETATM 1611 O O   . HOH C 3 .   ? -3.853  -4.950  -5.457  1.000 40.679 0 402 HOH A O   1 ? 
HETATM 1612 O O   . HOH C 3 .   ? -7.982  -16.647 -12.496 1.000 30.554 0 403 HOH A O   1 ? 
HETATM 1613 O O   . HOH C 3 .   ? -2.494  -1.775  -3.951  1.000 64.502 0 404 HOH A O   1 ? 
HETATM 1614 O O   . HOH C 3 .   ? 9.981   -29.590 -3.134  1.000 34.040 0 405 HOH A O   1 ? 
HETATM 1615 O O   . HOH C 3 .   ? 12.782  -7.393  -18.314 1.000 44.414 0 406 HOH A O   1 ? 
HETATM 1616 O O   . HOH C 3 .   ? -6.455  -31.574 9.422   1.000 46.887 0 407 HOH A O   1 ? 
HETATM 1617 O O   . HOH C 3 .   ? -16.249 -20.804 9.312   1.000 29.001 0 408 HOH A O   1 ? 
HETATM 1618 O O   . HOH C 3 .   ? -7.795  -15.829 17.119  1.000 19.297 0 409 HOH A O   1 ? 
HETATM 1619 O O   . HOH C 3 .   ? 2.515   -28.182 -17.447 1.000 39.186 0 410 HOH A O   1 ? 
HETATM 1620 O O   . HOH C 3 .   ? 19.951  -27.782 -0.634  1.000 37.937 0 411 HOH A O   1 ? 
HETATM 1621 O O   . HOH C 3 .   ? 20.488  -6.769  1.934   1.000 45.588 0 412 HOH A O   1 ? 
HETATM 1622 O O   . HOH C 3 .   ? 25.143  -21.414 -6.944  1.000 34.639 0 413 HOH A O   1 ? 
HETATM 1623 O O   . HOH C 3 .   ? 7.081   -16.941 8.429   1.000 49.860 0 414 HOH A O   1 ? 
HETATM 1624 O O   . HOH C 3 .   ? 22.309  -26.527 -7.668  1.000 54.398 0 415 HOH A O   1 ? 
HETATM 1625 O O   . HOH C 3 .   ? 17.237  -7.309  -17.131 1.000 51.314 0 416 HOH A O   1 ? 
HETATM 1626 O O   . HOH C 3 .   ? -4.757  -21.754 -23.162 1.000 61.578 0 417 HOH A O   1 ? 
HETATM 1627 O O   . HOH C 3 .   ? -9.016  -18.942 -15.115 1.000 46.595 0 418 HOH A O   1 ? 
HETATM 1628 O O   . HOH C 3 .   ? 4.095   -26.509 12.952  1.000 43.146 0 419 HOH A O   1 ? 
HETATM 1629 O O   . HOH C 3 .   ? -5.365  -9.757  -21.335 1.000 45.083 0 420 HOH A O   1 ? 
HETATM 1630 O O   . HOH C 3 .   ? -1.828  -9.930  11.929  1.000 39.664 0 421 HOH A O   1 ? 
HETATM 1631 O O   . HOH C 3 .   ? -1.507  -14.893 17.027  1.000 30.014 0 422 HOH A O   1 ? 
HETATM 1632 O O   . HOH C 3 .   ? 8.022   -27.393 7.502   1.000 30.411 0 423 HOH A O   1 ? 
HETATM 1633 O O   . HOH C 3 .   ? 13.250  -1.861  -11.602 1.000 43.753 0 424 HOH A O   1 ? 
HETATM 1634 O O   . HOH C 3 .   ? 23.249  -15.523 6.239   1.000 42.771 0 425 HOH A O   1 ? 
HETATM 1635 O O   . HOH C 3 .   ? 1.699   -35.058 2.536   1.000 45.766 0 426 HOH A O   1 ? 
HETATM 1636 O O   . HOH C 3 .   ? -2.972  -24.851 -13.043 1.000 32.959 0 427 HOH A O   1 ? 
HETATM 1637 O O   . HOH C 3 .   ? 12.454  -28.722 -7.374  1.000 38.097 0 428 HOH A O   1 ? 
HETATM 1638 O O   . HOH C 3 .   ? 21.786  -14.434 -6.003  1.000 22.707 0 429 HOH A O   1 ? 
HETATM 1639 O O   . HOH C 3 .   ? 29.032  -16.916 -3.078  1.000 43.724 0 430 HOH A O   1 ? 
HETATM 1640 O O   . HOH C 3 .   ? 20.443  -4.391  -3.282  1.000 38.344 0 431 HOH A O   1 ? 
HETATM 1641 O O   . HOH C 3 .   ? 17.947  -22.703 5.208   1.000 43.272 0 432 HOH A O   1 ? 
HETATM 1642 O O   . HOH C 3 .   ? 11.206  -9.677  -24.502 1.000 47.488 0 433 HOH A O   1 ? 
HETATM 1643 O O   . HOH C 3 .   ? 7.545   -31.281 -16.714 1.000 50.690 0 434 HOH A O   1 ? 
HETATM 1644 O O   . HOH C 3 .   ? -4.734  -16.455 -17.088 1.000 21.243 0 435 HOH A O   1 ? 
HETATM 1645 O O   . HOH C 3 .   ? 14.047  -2.642  -6.964  1.000 50.963 0 436 HOH A O   1 ? 
HETATM 1646 O O   . HOH C 3 .   ? -2.873  -23.679 -24.605 1.000 42.699 0 437 HOH A O   1 ? 
HETATM 1647 O O   . HOH C 3 .   ? 3.382   -23.086 15.740  1.000 33.266 0 438 HOH A O   1 ? 
HETATM 1648 O O   . HOH C 3 .   ? -6.739  -0.505  -12.891 1.000 36.527 0 439 HOH A O   1 ? 
HETATM 1649 O O   . HOH C 3 .   ? 7.487   -24.496 5.917   1.000 35.919 0 440 HOH A O   1 ? 
HETATM 1650 O O   . HOH C 3 .   ? 5.110   -19.841 -26.682 1.000 19.829 0 441 HOH A O   1 ? 
HETATM 1651 O O   . HOH C 3 .   ? 0.205   -26.537 8.826   1.000 19.357 0 442 HOH A O   1 ? 
HETATM 1652 O O   . HOH C 3 .   ? -15.587 -18.453 3.046   1.000 35.375 0 443 HOH A O   1 ? 
HETATM 1653 O O   . HOH C 3 .   ? -0.014  -12.340 9.064   1.000 37.898 0 444 HOH A O   1 ? 
HETATM 1654 O O   . HOH C 3 .   ? 3.912   -12.241 -24.148 1.000 29.712 0 445 HOH A O   1 ? 
HETATM 1655 O O   . HOH C 3 .   ? 4.968   -15.691 2.765   1.000 26.914 0 446 HOH A O   1 ? 
HETATM 1656 O O   . HOH C 3 .   ? -1.825  -20.941 4.316   1.000 22.776 0 447 HOH A O   1 ? 
HETATM 1657 O O   . HOH C 3 .   ? -8.470  -31.791 13.356  1.000 49.312 0 448 HOH A O   1 ? 
HETATM 1658 O O   . HOH C 3 .   ? 7.052   -5.376  -18.995 1.000 31.462 0 449 HOH A O   1 ? 
HETATM 1659 O O   . HOH C 3 .   ? 7.357   -15.504 -27.976 1.000 19.481 0 450 HOH A O   1 ? 
HETATM 1660 O O   . HOH C 3 .   ? 10.716  -20.037 -23.748 1.000 15.491 0 451 HOH A O   1 ? 
HETATM 1661 O O   . HOH C 3 .   ? 12.287  -23.974 -11.974 1.000 18.685 0 452 HOH A O   1 ? 
HETATM 1662 O O   . HOH C 3 .   ? 10.598  -1.205  -13.465 1.000 48.245 0 453 HOH A O   1 ? 
HETATM 1663 O O   . HOH C 3 .   ? -1.804  -27.283 -9.353  1.000 34.499 0 454 HOH A O   1 ? 
HETATM 1664 O O   . HOH C 3 .   ? 21.621  -22.014 6.568   1.000 52.269 0 455 HOH A O   1 ? 
HETATM 1665 O O   . HOH C 3 .   ? 10.235  -23.629 0.654   1.000 21.358 0 456 HOH A O   1 ? 
HETATM 1666 O O   . HOH C 3 .   ? 11.718  -26.068 -15.159 1.000 40.827 0 457 HOH A O   1 ? 
HETATM 1667 O O   . HOH C 3 .   ? 16.917  -20.610 -21.376 1.000 21.574 0 458 HOH A O   1 ? 
HETATM 1668 O O   . HOH C 3 .   ? 1.501   -17.554 -0.566  1.000 15.476 0 459 HOH A O   1 ? 
HETATM 1669 O O   . HOH C 3 .   ? -5.704  -7.107  6.927   1.000 42.583 0 460 HOH A O   1 ? 
HETATM 1670 O O   . HOH C 3 .   ? -5.145  -16.513 18.689  1.000 24.445 0 461 HOH A O   1 ? 
HETATM 1671 O O   . HOH C 3 .   ? 1.912   -17.343 -8.212  1.000 16.295 0 462 HOH A O   1 ? 
HETATM 1672 O O   . HOH C 3 .   ? 17.362  -25.550 -12.418 1.000 42.401 0 463 HOH A O   1 ? 
HETATM 1673 O O   . HOH C 3 .   ? 0.908   -11.823 -2.514  1.000 23.824 0 464 HOH A O   1 ? 
HETATM 1674 O O   . HOH C 3 .   ? 22.856  -11.839 -6.143  1.000 25.090 0 465 HOH A O   1 ? 
HETATM 1675 O O   . HOH C 3 .   ? 29.048  -12.902 -4.425  1.000 44.490 0 466 HOH A O   1 ? 
HETATM 1676 O O   . HOH C 3 .   ? 14.791  -16.397 -21.241 1.000 39.948 0 467 HOH A O   1 ? 
HETATM 1677 O O   . HOH C 3 .   ? -1.001  -7.944  -21.244 1.000 34.967 0 468 HOH A O   1 ? 
HETATM 1678 O O   . HOH C 3 .   ? -3.308  -27.103 16.157  1.000 23.069 0 469 HOH A O   1 ? 
HETATM 1679 O O   . HOH C 3 .   ? -7.208  -11.857 -5.878  1.000 24.604 0 470 HOH A O   1 ? 
HETATM 1680 O O   . HOH C 3 .   ? -12.037 -15.978 -15.573 1.000 51.931 0 471 HOH A O   1 ? 
HETATM 1681 O O   . HOH C 3 .   ? -8.556  -13.207 -1.939  1.000 33.202 0 472 HOH A O   1 ? 
HETATM 1682 O O   . HOH C 3 .   ? -7.278  -12.409 -19.565 1.000 31.337 0 473 HOH A O   1 ? 
HETATM 1683 O O   . HOH C 3 .   ? -4.341  -26.318 -8.588  1.000 26.341 0 474 HOH A O   1 ? 
HETATM 1684 O O   . HOH C 3 .   ? -3.441  -21.151 9.869   1.000 17.672 0 475 HOH A O   1 ? 
HETATM 1685 O O   . HOH C 3 .   ? 12.185  -5.540  0.679   1.000 45.180 0 476 HOH A O   1 ? 
HETATM 1686 O O   . HOH C 3 .   ? 16.924  -5.406  -8.309  1.000 40.751 0 477 HOH A O   1 ? 
HETATM 1687 O O   . HOH C 3 .   ? 7.010   -11.883 3.634   1.000 51.082 0 478 HOH A O   1 ? 
HETATM 1688 O O   . HOH C 3 .   ? -9.394  -14.729 -6.993  1.000 31.965 0 479 HOH A O   1 ? 
HETATM 1689 O O   . HOH C 3 .   ? -0.622  -8.516  -0.581  1.000 44.478 0 480 HOH A O   1 ? 
HETATM 1690 O O   . HOH C 3 .   ? 7.882   -30.460 5.338   1.000 53.117 0 481 HOH A O   1 ? 
HETATM 1691 O O   . HOH C 3 .   ? 8.382   -19.809 10.314  1.000 31.934 0 482 HOH A O   1 ? 
HETATM 1692 O O   . HOH C 3 .   ? -9.942  -30.227 1.185   1.000 37.822 0 483 HOH A O   1 ? 
HETATM 1693 O O   . HOH C 3 .   ? 5.806   -29.369 -1.604  1.000 22.428 0 484 HOH A O   1 ? 
HETATM 1694 O O   . HOH C 3 .   ? -0.288  -18.202 10.610  1.000 29.954 0 485 HOH A O   1 ? 
HETATM 1695 O O   . HOH C 3 .   ? -6.732  -30.337 7.151   1.000 25.584 0 486 HOH A O   1 ? 
HETATM 1696 O O   . HOH C 3 .   ? 0.891   -7.596  15.546  1.000 46.968 0 487 HOH A O   1 ? 
HETATM 1697 O O   . HOH C 3 .   ? -12.583 -28.542 -3.634  1.000 34.322 0 488 HOH A O   1 ? 
HETATM 1698 O O   . HOH C 3 .   ? 10.464  -12.491 0.220   1.000 24.015 0 489 HOH A O   1 ? 
HETATM 1699 O O   . HOH C 3 .   ? 24.612  -14.181 -9.878  1.000 32.926 0 490 HOH A O   1 ? 
HETATM 1700 O O   . HOH C 3 .   ? 24.727  -7.797  0.751   1.000 39.457 0 491 HOH A O   1 ? 
HETATM 1701 O O   . HOH C 3 .   ? 24.185  -11.587 -8.380  1.000 33.678 0 492 HOH A O   1 ? 
HETATM 1702 O O   . HOH C 3 .   ? -2.579  -33.007 -6.527  1.000 36.036 0 493 HOH A O   1 ? 
HETATM 1703 O O   . HOH C 3 .   ? 2.066   -2.158  -8.133  1.000 27.948 0 494 HOH A O   1 ? 
HETATM 1704 O O   . HOH C 3 .   ? -0.793  -18.755 -23.772 1.000 26.098 0 495 HOH A O   1 ? 
HETATM 1705 O O   . HOH C 3 .   ? -0.379  -17.497 8.587   1.000 35.504 0 496 HOH A O   1 ? 
HETATM 1706 O O   . HOH C 3 .   ? 0.908   -33.729 -2.936  1.000 40.876 0 497 HOH A O   1 ? 
HETATM 1707 O O   . HOH C 3 .   ? 13.624  -16.622 1.466   1.000 29.120 0 498 HOH A O   1 ? 
HETATM 1708 O O   . HOH C 3 .   ? -1.837  -6.239  -11.452 1.000 19.262 0 499 HOH A O   1 ? 
HETATM 1709 O O   . HOH C 3 .   ? -1.449  1.254   -8.168  1.000 43.311 0 500 HOH A O   1 ? 
HETATM 1710 O O   . HOH C 3 .   ? 2.951   -32.724 4.914   1.000 37.593 0 501 HOH A O   1 ? 
HETATM 1711 O O   . HOH C 3 .   ? 4.848   -30.479 -5.246  1.000 33.006 0 502 HOH A O   1 ? 
HETATM 1712 O O   . HOH C 3 .   ? -1.937  -20.236 12.141  1.000 18.024 0 503 HOH A O   1 ? 
HETATM 1713 O O   . HOH C 3 .   ? -7.182  -3.239  -10.521 1.000 33.833 0 504 HOH A O   1 ? 
HETATM 1714 O O   . HOH C 3 .   ? 19.002  -18.181 -14.161 1.000 29.521 0 505 HOH A O   1 ? 
HETATM 1715 O O   . HOH C 3 .   ? -1.871  -14.365 5.060   1.000 26.528 0 506 HOH A O   1 ? 
HETATM 1716 O O   . HOH C 3 .   ? -14.099 -25.504 6.727   1.000 39.244 0 507 HOH A O   1 ? 
HETATM 1717 O O   . HOH C 3 .   ? -13.679 -14.520 11.398  1.000 33.364 0 508 HOH A O   1 ? 
HETATM 1718 O O   . HOH C 3 .   ? 19.423  -25.519 2.859   1.000 41.810 0 509 HOH A O   1 ? 
HETATM 1719 O O   . HOH C 3 .   ? 9.309   -9.137  1.623   1.000 43.127 0 510 HOH A O   1 ? 
HETATM 1720 O O   . HOH C 3 .   ? 3.007   -10.663 -3.968  1.000 23.553 0 511 HOH A O   1 ? 
HETATM 1721 O O   . HOH C 3 .   ? -11.882 -25.358 10.284  1.000 24.211 0 512 HOH A O   1 ? 
HETATM 1722 O O   . HOH C 3 .   ? -4.372  -23.322 15.996  1.000 19.020 0 513 HOH A O   1 ? 
HETATM 1723 O O   . HOH C 3 .   ? -7.789  -11.235 -1.595  1.000 45.108 0 514 HOH A O   1 ? 
HETATM 1724 O O   . HOH C 3 .   ? -0.775  -31.667 7.152   1.000 29.555 0 515 HOH A O   1 ? 
HETATM 1725 O O   . HOH C 3 .   ? -12.778 -17.788 0.287   1.000 29.128 0 516 HOH A O   1 ? 
HETATM 1726 O O   . HOH C 3 .   ? 2.240   -28.232 -12.703 1.000 28.663 0 517 HOH A O   1 ? 
HETATM 1727 O O   . HOH C 3 .   ? -15.662 -15.179 -14.970 1.000 52.628 0 518 HOH A O   1 ? 
HETATM 1728 O O   . HOH C 3 .   ? -2.425  -20.591 7.351   1.000 32.206 0 519 HOH A O   1 ? 
HETATM 1729 O O   . HOH C 3 .   ? 13.770  -12.099 -21.337 1.000 36.769 0 520 HOH A O   1 ? 
HETATM 1730 O O   . HOH C 3 .   ? -4.330  -2.761  -25.015 1.000 62.403 0 521 HOH A O   1 ? 
HETATM 1731 O O   . HOH C 3 .   ? -11.232 -21.350 -6.918  1.000 34.384 0 522 HOH A O   1 ? 
HETATM 1732 O O   . HOH C 3 .   ? -1.593  -18.224 6.166   1.000 29.180 0 523 HOH A O   1 ? 
HETATM 1733 O O   . HOH C 3 .   ? -14.620 -25.371 4.064   1.000 32.739 0 524 HOH A O   1 ? 
HETATM 1734 O O   . HOH C 3 .   ? 3.746   -7.819  -21.252 1.000 25.023 0 525 HOH A O   1 ? 
HETATM 1735 O O   . HOH C 3 .   ? -11.144 -31.684 -1.414  1.000 25.512 0 526 HOH A O   1 ? 
HETATM 1736 O O   . HOH C 3 .   ? -7.487  -27.033 -10.740 1.000 51.229 0 527 HOH A O   1 ? 
HETATM 1737 O O   . HOH C 3 .   ? -3.448  -18.941 7.932   1.000 28.765 0 528 HOH A O   1 ? 
HETATM 1738 O O   . HOH C 3 .   ? -4.020  -23.915 -10.478 1.000 34.352 0 529 HOH A O   1 ? 
HETATM 1739 O O   . HOH C 3 .   ? -9.718  -10.333 14.610  1.000 25.746 0 530 HOH A O   1 ? 
HETATM 1740 O O   . HOH C 3 .   ? 9.628   0.518   -8.853  1.000 33.018 0 531 HOH A O   1 ? 
HETATM 1741 O O   . HOH C 3 .   ? 3.564   -4.167  -1.119  1.000 31.669 0 532 HOH A O   1 ? 
HETATM 1742 O O   . HOH C 3 .   ? 12.786  -13.593 1.700   1.000 31.975 0 533 HOH A O   1 ? 
HETATM 1743 O O   . HOH C 3 .   ? 16.501  -4.532  -5.770  1.000 47.553 0 534 HOH A O   1 ? 
HETATM 1744 O O   . HOH C 3 .   ? 26.837  -10.826 -7.564  1.000 46.828 0 535 HOH A O   1 ? 
HETATM 1745 O O   . HOH C 3 .   ? 2.222   -25.551 2.229   1.000 17.899 0 536 HOH A O   1 ? 
HETATM 1746 O O   . HOH C 3 .   ? -6.211  -10.171 -7.841  1.000 20.459 0 537 HOH A O   1 ? 
HETATM 1747 O O   . HOH C 3 .   ? 11.120  -9.212  -21.865 1.000 35.463 0 538 HOH A O   1 ? 
HETATM 1748 O O   . HOH C 3 .   ? -4.319  -21.140 5.596   1.000 19.739 0 539 HOH A O   1 ? 
HETATM 1749 O O   . HOH C 3 .   ? -1.507  -25.936 -17.333 1.000 27.154 0 540 HOH A O   1 ? 
HETATM 1750 O O   . HOH C 3 .   ? -4.952  -32.008 5.764   1.000 33.401 0 541 HOH A O   1 ? 
HETATM 1751 O O   . HOH C 3 .   ? 2.355   -0.838  -15.479 1.000 29.596 0 542 HOH A O   1 ? 
HETATM 1752 O O   . HOH C 3 .   ? 27.141  -12.971 -0.952  1.000 35.068 0 543 HOH A O   1 ? 
HETATM 1753 O O   . HOH C 3 .   ? -4.785  -18.064 -21.625 1.000 32.677 0 544 HOH A O   1 ? 
HETATM 1754 O O   . HOH C 3 .   ? 16.543  -4.942  -0.565  1.000 38.934 0 545 HOH A O   1 ? 
HETATM 1755 O O   . HOH C 3 .   ? -5.730  -34.766 -1.903  1.000 49.223 0 546 HOH A O   1 ? 
HETATM 1756 O O   . HOH C 3 .   ? 0.421   -30.112 12.217  1.000 55.114 0 547 HOH A O   1 ? 
HETATM 1757 O O   . HOH C 3 .   ? 3.393   -0.639  -18.360 1.000 48.078 0 548 HOH A O   1 ? 
HETATM 1758 O O   . HOH C 3 .   ? -14.630 -28.713 1.190   1.000 42.880 0 549 HOH A O   1 ? 
HETATM 1759 O O   . HOH C 3 .   ? 6.414   -32.078 -2.175  1.000 52.732 0 550 HOH A O   1 ? 
HETATM 1760 O O   . HOH C 3 .   ? -4.202  -10.099 6.100   1.000 52.199 0 551 HOH A O   1 ? 
HETATM 1761 O O   . HOH C 3 .   ? 3.746   -29.869 -19.303 1.000 48.773 0 552 HOH A O   1 ? 
HETATM 1762 O O   . HOH C 3 .   ? -11.162 -14.082 -2.628  1.000 46.384 0 553 HOH A O   1 ? 
HETATM 1763 O O   . HOH C 3 .   ? 25.667  -18.436 -14.506 1.000 49.524 0 554 HOH A O   1 ? 
HETATM 1764 O O   . HOH C 3 .   ? -9.077  -27.685 5.595   1.000 34.807 0 555 HOH A O   1 ? 
HETATM 1765 O O   . HOH C 3 .   ? 6.534   -11.880 -26.273 1.000 48.054 0 556 HOH A O   1 ? 
HETATM 1766 O O   . HOH C 3 .   ? -5.770  -22.697 -21.685 1.000 52.362 0 557 HOH A O   1 ? 
HETATM 1767 O O   . HOH C 3 .   ? -3.189  -15.272 20.245  1.000 47.102 0 558 HOH A O   1 ? 
HETATM 1768 O O   . HOH C 3 .   ? -6.434  -18.549 -16.286 1.000 37.364 0 559 HOH A O   1 ? 
HETATM 1769 O O   . HOH C 3 .   ? 7.555   -31.254 -4.266  1.000 47.785 0 560 HOH A O   1 ? 
HETATM 1770 O O   . HOH C 3 .   ? 4.750   -9.758  -23.569 1.000 44.025 0 561 HOH A O   1 ? 
HETATM 1771 O O   . HOH C 3 .   ? 14.381  -25.360 -13.282 1.000 35.039 0 562 HOH A O   1 ? 
HETATM 1772 O O   . HOH C 3 .   ? 25.340  -3.727  -7.410  1.000 45.560 0 563 HOH A O   1 ? 
HETATM 1773 O O   . HOH C 3 .   ? 8.515   -14.023 4.059   1.000 67.332 0 564 HOH A O   1 ? 
HETATM 1774 O O   . HOH C 3 .   ? 17.007  -3.076  -2.250  1.000 65.976 0 565 HOH A O   1 ? 
HETATM 1775 O O   . HOH C 3 .   ? 7.666   -9.380  -24.365 1.000 58.951 0 566 HOH A O   1 ? 
HETATM 1776 O O   . HOH C 3 .   ? 10.056  -6.652  -19.913 1.000 52.797 0 567 HOH A O   1 ? 
HETATM 1777 O O   . HOH C 3 .   ? -6.083  -15.648 -19.626 1.000 40.951 0 568 HOH A O   1 ? 
HETATM 1778 O O   . HOH C 3 .   ? 5.498   -5.600  -21.327 1.000 39.650 0 569 HOH A O   1 ? 
HETATM 1779 O O   . HOH C 3 .   ? -0.652  -14.878 7.628   1.000 48.857 0 570 HOH A O   1 ? 
HETATM 1780 O O   . HOH C 3 .   ? 3.830   -13.221 2.854   1.000 42.364 0 571 HOH A O   1 ? 
HETATM 1781 O O   . HOH C 3 .   ? 5.770   -23.104 16.726  1.000 53.564 0 572 HOH A O   1 ? 
HETATM 1782 O O   . HOH C 3 .   ? 1.096   0.243   -7.113  1.000 38.097 0 573 HOH A O   1 ? 
HETATM 1783 O O   . HOH C 3 .   ? -7.405  -0.869  -9.613  1.000 60.019 0 574 HOH A O   1 ? 
HETATM 1784 O O   . HOH C 3 .   ? 3.087   -3.494  -22.922 1.000 76.747 0 575 HOH A O   1 ? 
HETATM 1785 O O   . HOH C 3 .   ? 3.437   -11.132 1.750   1.000 53.584 0 576 HOH A O   1 ? 
HETATM 1786 O O   . HOH C 3 .   ? -16.005 -15.602 -1.962  1.000 63.248 0 577 HOH A O   1 ? 
HETATM 1787 O O   . HOH C 3 .   ? -3.259  -36.199 -2.579  1.000 51.785 0 578 HOH A O   1 ? 
HETATM 1788 O O   . HOH C 3 .   ? 2.613   -10.908 -0.519  1.000 41.726 0 579 HOH A O   1 ? 
HETATM 1789 O O   . HOH C 3 .   ? -6.785  -23.447 -11.239 1.000 47.968 0 580 HOH A O   1 ? 
HETATM 1790 O O   . HOH C 3 .   ? 4.036   -4.812  1.740   1.000 55.771 0 581 HOH A O   1 ? 
HETATM 1791 O O   . HOH C 3 .   ? -17.434 -26.315 4.261   1.000 51.501 0 582 HOH A O   1 ? 
HETATM 1792 O O   . HOH C 3 .   ? 1.421   -28.607 10.127  1.000 33.813 0 583 HOH A O   1 ? 
HETATM 1793 O O   . HOH C 3 .   ? 1.001   -30.920 8.915   1.000 45.076 0 584 HOH A O   1 ? 
# 
