data_9FYW
# 
_entry.id   9FYW 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_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   9FYW         pdb_00009fyw 10.2210/pdb9fyw/pdb 
WWPDB D_1292139983 ?            ?                   
# 
_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       2024-11-27 
# 
_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                        9FYW 
_pdbx_database_status.recvd_initial_deposition_date   2024-07-04 
_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           N 
# 
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 
2 aaronter@ucm.es            Aaron     Teran   ? 'principal investigator/group leader' 0000-0001-6126-6230 
3 giarita.ferraro@unina.it   Giarita   Ferraro ? 'principal investigator/group leader' 0000-0001-9385-2429 
4 antonello.merlino@unina.it Antonello Merlino ? 'principal investigator/group leader' 0000-0002-1045-7720 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Teran, A.'   1 0000-0001-6126-6230 
'Ferraro, G.' 2 0000-0001-9385-2429 
'Merlino, A.' 3 0000-0002-1045-7720 
# 
_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                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Inorg Chem Front' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2052-1553 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            11 
_citation.language                  ? 
_citation.page_first                7803 
_citation.page_last                 7811 
_citation.title                     
;Exchange of equatorial ligands in protein-bound paddlewheel Ru25+ complexes: new insights from X-ray crystallography and quantum chemistry
;
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1039/D4QI01846J 
_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 'Teran, A.'            1 ? 
primary 'Fasulo, F.'           2 ? 
primary 'Ferraro, G.'          3 ? 
primary 'Sanchez-Pelaez, A.E.' 4 ? 
primary 'Herrero, S.'          5 ? 
primary 'Pavone, M.'           6 ? 
primary 'Munoz-Garcia, A.B.'   7 ? 
primary 'Merlino, A.'          8 ? 
# 
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 'Ribonuclease pancreatic' 16480.896 2   ? ? ? ? 
2 non-polymer syn 'SULFATE ION' 96.063    1   ? ? ? ? 
3 non-polymer syn 
;4-[11-(4-cyanophenyl)-1,5-bis($l^{1}-oxidanyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{5},5$l^{5}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-9-yl]benzenecarbonitrile
;
602.525   1   ? ? ? ? 
4 water       nat water 18.015    308 ? ? ? ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MALKSLVLLSLLVLVLLLVRVQPSLGKETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADV
QAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MALKSLVLLSLLVLVLLLVRVQPSLGKETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADV
QAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV
;
_entity_poly.pdbx_strand_id                 A,B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'SULFATE ION' SO4   
3 
;4-[11-(4-cyanophenyl)-1,5-bis($l^{1}-oxidanyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{5},5$l^{5}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-9-yl]benzenecarbonitrile
;
A1IHW 
4 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   ALA n 
1 3   LEU n 
1 4   LYS n 
1 5   SER n 
1 6   LEU n 
1 7   VAL n 
1 8   LEU n 
1 9   LEU n 
1 10  SER n 
1 11  LEU n 
1 12  LEU n 
1 13  VAL n 
1 14  LEU n 
1 15  VAL n 
1 16  LEU n 
1 17  LEU n 
1 18  LEU n 
1 19  VAL n 
1 20  ARG n 
1 21  VAL n 
1 22  GLN n 
1 23  PRO n 
1 24  SER n 
1 25  LEU n 
1 26  GLY n 
1 27  LYS n 
1 28  GLU n 
1 29  THR n 
1 30  ALA n 
1 31  ALA n 
1 32  ALA n 
1 33  LYS n 
1 34  PHE n 
1 35  GLU n 
1 36  ARG n 
1 37  GLN n 
1 38  HIS n 
1 39  MET n 
1 40  ASP n 
1 41  SER n 
1 42  SER n 
1 43  THR n 
1 44  SER n 
1 45  ALA n 
1 46  ALA n 
1 47  SER n 
1 48  SER n 
1 49  SER n 
1 50  ASN n 
1 51  TYR n 
1 52  CYS n 
1 53  ASN n 
1 54  GLN n 
1 55  MET n 
1 56  MET n 
1 57  LYS n 
1 58  SER n 
1 59  ARG n 
1 60  ASN n 
1 61  LEU n 
1 62  THR n 
1 63  LYS n 
1 64  ASP n 
1 65  ARG n 
1 66  CYS n 
1 67  LYS n 
1 68  PRO n 
1 69  VAL n 
1 70  ASN n 
1 71  THR n 
1 72  PHE n 
1 73  VAL n 
1 74  HIS n 
1 75  GLU n 
1 76  SER n 
1 77  LEU n 
1 78  ALA n 
1 79  ASP n 
1 80  VAL n 
1 81  GLN n 
1 82  ALA n 
1 83  VAL n 
1 84  CYS n 
1 85  SER n 
1 86  GLN n 
1 87  LYS n 
1 88  ASN n 
1 89  VAL n 
1 90  ALA n 
1 91  CYS n 
1 92  LYS n 
1 93  ASN n 
1 94  GLY n 
1 95  GLN n 
1 96  THR n 
1 97  ASN n 
1 98  CYS n 
1 99  TYR n 
1 100 GLN n 
1 101 SER n 
1 102 TYR n 
1 103 SER n 
1 104 THR n 
1 105 MET n 
1 106 SER n 
1 107 ILE n 
1 108 THR n 
1 109 ASP n 
1 110 CYS n 
1 111 ARG n 
1 112 GLU n 
1 113 THR n 
1 114 GLY n 
1 115 SER n 
1 116 SER n 
1 117 LYS n 
1 118 TYR n 
1 119 PRO n 
1 120 ASN n 
1 121 CYS n 
1 122 ALA n 
1 123 TYR n 
1 124 LYS n 
1 125 THR n 
1 126 THR n 
1 127 GLN n 
1 128 ALA n 
1 129 ASN n 
1 130 LYS n 
1 131 HIS n 
1 132 ILE n 
1 133 ILE n 
1 134 VAL n 
1 135 ALA n 
1 136 CYS n 
1 137 GLU n 
1 138 GLY n 
1 139 ASN n 
1 140 PRO n 
1 141 TYR n 
1 142 VAL n 
1 143 PRO n 
1 144 VAL n 
1 145 HIS n 
1 146 PHE n 
1 147 ASP n 
1 148 ALA n 
1 149 SER n 
1 150 VAL 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           150 
_entity_src_nat.common_name                cattle 
_entity_src_nat.pdbx_organism_scientific   'Bos taurus' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      9913 
_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 
A1IHW non-polymer         . 
;4-[11-(4-cyanophenyl)-1,5-bis($l^{1}-oxidanyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{5},5$l^{5}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-9-yl]benzenecarbonitrile
;
? 'C19 H20 N4 O6 Ru2' 602.525 
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  
HIS   'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1'    156.162 
HOH   non-polymer         . WATER ? 'H2 O'              18.015  
ILE   'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'       131.173 
LEU   'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'       131.173 
LYS   'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1'    147.195 
MET   'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'     149.211 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'       165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'        115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'        105.093 
SO4   non-polymer         . 'SULFATE ION' ? 'O4 S -2'           96.063  
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'        119.119 
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   MET 1   -25 ?   ?   ?   A . n 
A 1 2   ALA 2   -24 ?   ?   ?   A . n 
A 1 3   LEU 3   -23 ?   ?   ?   A . n 
A 1 4   LYS 4   -22 ?   ?   ?   A . n 
A 1 5   SER 5   -21 ?   ?   ?   A . n 
A 1 6   LEU 6   -20 ?   ?   ?   A . n 
A 1 7   VAL 7   -19 ?   ?   ?   A . n 
A 1 8   LEU 8   -18 ?   ?   ?   A . n 
A 1 9   LEU 9   -17 ?   ?   ?   A . n 
A 1 10  SER 10  -16 ?   ?   ?   A . n 
A 1 11  LEU 11  -15 ?   ?   ?   A . n 
A 1 12  LEU 12  -14 ?   ?   ?   A . n 
A 1 13  VAL 13  -13 ?   ?   ?   A . n 
A 1 14  LEU 14  -12 ?   ?   ?   A . n 
A 1 15  VAL 15  -11 ?   ?   ?   A . n 
A 1 16  LEU 16  -10 ?   ?   ?   A . n 
A 1 17  LEU 17  -9  ?   ?   ?   A . n 
A 1 18  LEU 18  -8  ?   ?   ?   A . n 
A 1 19  VAL 19  -7  ?   ?   ?   A . n 
A 1 20  ARG 20  -6  ?   ?   ?   A . n 
A 1 21  VAL 21  -5  ?   ?   ?   A . n 
A 1 22  GLN 22  -4  ?   ?   ?   A . n 
A 1 23  PRO 23  -3  ?   ?   ?   A . n 
A 1 24  SER 24  -2  ?   ?   ?   A . n 
A 1 25  LEU 25  -1  ?   ?   ?   A . n 
A 1 26  GLY 26  0   ?   ?   ?   A . n 
A 1 27  LYS 27  1   1   LYS LYS A . n 
A 1 28  GLU 28  2   2   GLU GLU A . n 
A 1 29  THR 29  3   3   THR THR A . n 
A 1 30  ALA 30  4   4   ALA ALA A . n 
A 1 31  ALA 31  5   5   ALA ALA A . n 
A 1 32  ALA 32  6   6   ALA ALA A . n 
A 1 33  LYS 33  7   7   LYS LYS A . n 
A 1 34  PHE 34  8   8   PHE PHE A . n 
A 1 35  GLU 35  9   9   GLU GLU A . n 
A 1 36  ARG 36  10  10  ARG ARG A . n 
A 1 37  GLN 37  11  11  GLN GLN A . n 
A 1 38  HIS 38  12  12  HIS HIS A . n 
A 1 39  MET 39  13  13  MET MET A . n 
A 1 40  ASP 40  14  14  ASP ASP A . n 
A 1 41  SER 41  15  15  SER SER A . n 
A 1 42  SER 42  16  16  SER SER A . n 
A 1 43  THR 43  17  17  THR THR A . n 
A 1 44  SER 44  18  18  SER SER A . n 
A 1 45  ALA 45  19  19  ALA ALA A . n 
A 1 46  ALA 46  20  20  ALA ALA A . n 
A 1 47  SER 47  21  21  SER SER A . n 
A 1 48  SER 48  22  22  SER SER A . n 
A 1 49  SER 49  23  23  SER SER A . n 
A 1 50  ASN 50  24  24  ASN ASN A . n 
A 1 51  TYR 51  25  25  TYR TYR A . n 
A 1 52  CYS 52  26  26  CYS CYS A . n 
A 1 53  ASN 53  27  27  ASN ASN A . n 
A 1 54  GLN 54  28  28  GLN GLN A . n 
A 1 55  MET 55  29  29  MET MET A . n 
A 1 56  MET 56  30  30  MET MET A . n 
A 1 57  LYS 57  31  31  LYS LYS A . n 
A 1 58  SER 58  32  32  SER SER A . n 
A 1 59  ARG 59  33  33  ARG ARG A . n 
A 1 60  ASN 60  34  34  ASN ASN A . n 
A 1 61  LEU 61  35  35  LEU LEU A . n 
A 1 62  THR 62  36  36  THR THR A . n 
A 1 63  LYS 63  37  37  LYS LYS A . n 
A 1 64  ASP 64  38  38  ASP ASP A . n 
A 1 65  ARG 65  39  39  ARG ARG A . n 
A 1 66  CYS 66  40  40  CYS CYS A . n 
A 1 67  LYS 67  41  41  LYS LYS A . n 
A 1 68  PRO 68  42  42  PRO PRO A . n 
A 1 69  VAL 69  43  43  VAL VAL A . n 
A 1 70  ASN 70  44  44  ASN ASN A . n 
A 1 71  THR 71  45  45  THR THR A . n 
A 1 72  PHE 72  46  46  PHE PHE A . n 
A 1 73  VAL 73  47  47  VAL VAL A . n 
A 1 74  HIS 74  48  48  HIS HIS A . n 
A 1 75  GLU 75  49  49  GLU GLU A . n 
A 1 76  SER 76  50  50  SER SER A . n 
A 1 77  LEU 77  51  51  LEU LEU A . n 
A 1 78  ALA 78  52  52  ALA ALA A . n 
A 1 79  ASP 79  53  53  ASP ASP A . n 
A 1 80  VAL 80  54  54  VAL VAL A . n 
A 1 81  GLN 81  55  55  GLN GLN A . n 
A 1 82  ALA 82  56  56  ALA ALA A . n 
A 1 83  VAL 83  57  57  VAL VAL A . n 
A 1 84  CYS 84  58  58  CYS CYS A . n 
A 1 85  SER 85  59  59  SER SER A . n 
A 1 86  GLN 86  60  60  GLN GLN A . n 
A 1 87  LYS 87  61  61  LYS LYS A . n 
A 1 88  ASN 88  62  62  ASN ASN A . n 
A 1 89  VAL 89  63  63  VAL VAL A . n 
A 1 90  ALA 90  64  64  ALA ALA A . n 
A 1 91  CYS 91  65  65  CYS CYS A . n 
A 1 92  LYS 92  66  66  LYS LYS A . n 
A 1 93  ASN 93  67  67  ASN ASN A . n 
A 1 94  GLY 94  68  68  GLY GLY A . n 
A 1 95  GLN 95  69  69  GLN GLN A . n 
A 1 96  THR 96  70  70  THR THR A . n 
A 1 97  ASN 97  71  71  ASN ASN A . n 
A 1 98  CYS 98  72  72  CYS CYS A . n 
A 1 99  TYR 99  73  73  TYR TYR A . n 
A 1 100 GLN 100 74  74  GLN GLN A . n 
A 1 101 SER 101 75  75  SER SER A . n 
A 1 102 TYR 102 76  76  TYR TYR A . n 
A 1 103 SER 103 77  77  SER SER A . n 
A 1 104 THR 104 78  78  THR THR A . n 
A 1 105 MET 105 79  79  MET MET A . n 
A 1 106 SER 106 80  80  SER SER A . n 
A 1 107 ILE 107 81  81  ILE ILE A . n 
A 1 108 THR 108 82  82  THR THR A . n 
A 1 109 ASP 109 83  83  ASP ASP A . n 
A 1 110 CYS 110 84  84  CYS CYS A . n 
A 1 111 ARG 111 85  85  ARG ARG A . n 
A 1 112 GLU 112 86  86  GLU GLU A . n 
A 1 113 THR 113 87  87  THR THR A . n 
A 1 114 GLY 114 88  88  GLY GLY A . n 
A 1 115 SER 115 89  89  SER SER A . n 
A 1 116 SER 116 90  90  SER SER A . n 
A 1 117 LYS 117 91  91  LYS LYS A . n 
A 1 118 TYR 118 92  92  TYR TYR A . n 
A 1 119 PRO 119 93  93  PRO PRO A . n 
A 1 120 ASN 120 94  94  ASN ASN A . n 
A 1 121 CYS 121 95  95  CYS CYS A . n 
A 1 122 ALA 122 96  96  ALA ALA A . n 
A 1 123 TYR 123 97  97  TYR TYR A . n 
A 1 124 LYS 124 98  98  LYS LYS A . n 
A 1 125 THR 125 99  99  THR THR A . n 
A 1 126 THR 126 100 100 THR THR A . n 
A 1 127 GLN 127 101 101 GLN GLN A . n 
A 1 128 ALA 128 102 102 ALA ALA A . n 
A 1 129 ASN 129 103 103 ASN ASN A . n 
A 1 130 LYS 130 104 104 LYS LYS A . n 
A 1 131 HIS 131 105 105 HIS HIS A . n 
A 1 132 ILE 132 106 106 ILE ILE A . n 
A 1 133 ILE 133 107 107 ILE ILE A . n 
A 1 134 VAL 134 108 108 VAL VAL A . n 
A 1 135 ALA 135 109 109 ALA ALA A . n 
A 1 136 CYS 136 110 110 CYS CYS A . n 
A 1 137 GLU 137 111 111 GLU GLU A . n 
A 1 138 GLY 138 112 112 GLY GLY A . n 
A 1 139 ASN 139 113 113 ASN ASN A . n 
A 1 140 PRO 140 114 114 PRO PRO A . n 
A 1 141 TYR 141 115 115 TYR TYR A . n 
A 1 142 VAL 142 116 116 VAL VAL A . n 
A 1 143 PRO 143 117 117 PRO PRO A . n 
A 1 144 VAL 144 118 118 VAL VAL A . n 
A 1 145 HIS 145 119 119 HIS HIS A . n 
A 1 146 PHE 146 120 120 PHE PHE A . n 
A 1 147 ASP 147 121 121 ASP ASP A . n 
A 1 148 ALA 148 122 122 ALA ALA A . n 
A 1 149 SER 149 123 123 SER SER A . n 
A 1 150 VAL 150 124 124 VAL VAL A . n 
B 1 1   MET 1   -25 ?   ?   ?   B . n 
B 1 2   ALA 2   -24 ?   ?   ?   B . n 
B 1 3   LEU 3   -23 ?   ?   ?   B . n 
B 1 4   LYS 4   -22 ?   ?   ?   B . n 
B 1 5   SER 5   -21 ?   ?   ?   B . n 
B 1 6   LEU 6   -20 ?   ?   ?   B . n 
B 1 7   VAL 7   -19 ?   ?   ?   B . n 
B 1 8   LEU 8   -18 ?   ?   ?   B . n 
B 1 9   LEU 9   -17 ?   ?   ?   B . n 
B 1 10  SER 10  -16 ?   ?   ?   B . n 
B 1 11  LEU 11  -15 ?   ?   ?   B . n 
B 1 12  LEU 12  -14 ?   ?   ?   B . n 
B 1 13  VAL 13  -13 ?   ?   ?   B . n 
B 1 14  LEU 14  -12 ?   ?   ?   B . n 
B 1 15  VAL 15  -11 ?   ?   ?   B . n 
B 1 16  LEU 16  -10 ?   ?   ?   B . n 
B 1 17  LEU 17  -9  ?   ?   ?   B . n 
B 1 18  LEU 18  -8  ?   ?   ?   B . n 
B 1 19  VAL 19  -7  ?   ?   ?   B . n 
B 1 20  ARG 20  -6  ?   ?   ?   B . n 
B 1 21  VAL 21  -5  ?   ?   ?   B . n 
B 1 22  GLN 22  -4  ?   ?   ?   B . n 
B 1 23  PRO 23  -3  ?   ?   ?   B . n 
B 1 24  SER 24  -2  ?   ?   ?   B . n 
B 1 25  LEU 25  -1  ?   ?   ?   B . n 
B 1 26  GLY 26  0   ?   ?   ?   B . n 
B 1 27  LYS 27  1   1   LYS LYS B . n 
B 1 28  GLU 28  2   2   GLU GLU B . n 
B 1 29  THR 29  3   3   THR THR B . n 
B 1 30  ALA 30  4   4   ALA ALA B . n 
B 1 31  ALA 31  5   5   ALA ALA B . n 
B 1 32  ALA 32  6   6   ALA ALA B . n 
B 1 33  LYS 33  7   7   LYS LYS B . n 
B 1 34  PHE 34  8   8   PHE PHE B . n 
B 1 35  GLU 35  9   9   GLU GLU B . n 
B 1 36  ARG 36  10  10  ARG ARG B . n 
B 1 37  GLN 37  11  11  GLN GLN B . n 
B 1 38  HIS 38  12  12  HIS HIS B . n 
B 1 39  MET 39  13  13  MET MET B . n 
B 1 40  ASP 40  14  14  ASP ASP B . n 
B 1 41  SER 41  15  15  SER SER B . n 
B 1 42  SER 42  16  16  SER SER B . n 
B 1 43  THR 43  17  17  THR THR B . n 
B 1 44  SER 44  18  18  SER SER B . n 
B 1 45  ALA 45  19  19  ALA ALA B . n 
B 1 46  ALA 46  20  20  ALA ALA B . n 
B 1 47  SER 47  21  21  SER SER B . n 
B 1 48  SER 48  22  22  SER SER B . n 
B 1 49  SER 49  23  23  SER SER B . n 
B 1 50  ASN 50  24  24  ASN ASN B . n 
B 1 51  TYR 51  25  25  TYR TYR B . n 
B 1 52  CYS 52  26  26  CYS CYS B . n 
B 1 53  ASN 53  27  27  ASN ASN B . n 
B 1 54  GLN 54  28  28  GLN GLN B . n 
B 1 55  MET 55  29  29  MET MET B . n 
B 1 56  MET 56  30  30  MET MET B . n 
B 1 57  LYS 57  31  31  LYS LYS B . n 
B 1 58  SER 58  32  32  SER SER B . n 
B 1 59  ARG 59  33  33  ARG ARG B . n 
B 1 60  ASN 60  34  34  ASN ASN B . n 
B 1 61  LEU 61  35  35  LEU LEU B . n 
B 1 62  THR 62  36  36  THR THR B . n 
B 1 63  LYS 63  37  37  LYS LYS B . n 
B 1 64  ASP 64  38  38  ASP ASP B . n 
B 1 65  ARG 65  39  39  ARG ARG B . n 
B 1 66  CYS 66  40  40  CYS CYS B . n 
B 1 67  LYS 67  41  41  LYS LYS B . n 
B 1 68  PRO 68  42  42  PRO PRO B . n 
B 1 69  VAL 69  43  43  VAL VAL B . n 
B 1 70  ASN 70  44  44  ASN ASN B . n 
B 1 71  THR 71  45  45  THR THR B . n 
B 1 72  PHE 72  46  46  PHE PHE B . n 
B 1 73  VAL 73  47  47  VAL VAL B . n 
B 1 74  HIS 74  48  48  HIS HIS B . n 
B 1 75  GLU 75  49  49  GLU GLU B . n 
B 1 76  SER 76  50  50  SER SER B . n 
B 1 77  LEU 77  51  51  LEU LEU B . n 
B 1 78  ALA 78  52  52  ALA ALA B . n 
B 1 79  ASP 79  53  53  ASP ASP B . n 
B 1 80  VAL 80  54  54  VAL VAL B . n 
B 1 81  GLN 81  55  55  GLN GLN B . n 
B 1 82  ALA 82  56  56  ALA ALA B . n 
B 1 83  VAL 83  57  57  VAL VAL B . n 
B 1 84  CYS 84  58  58  CYS CYS B . n 
B 1 85  SER 85  59  59  SER SER B . n 
B 1 86  GLN 86  60  60  GLN GLN B . n 
B 1 87  LYS 87  61  61  LYS LYS B . n 
B 1 88  ASN 88  62  62  ASN ASN B . n 
B 1 89  VAL 89  63  63  VAL VAL B . n 
B 1 90  ALA 90  64  64  ALA ALA B . n 
B 1 91  CYS 91  65  65  CYS CYS B . n 
B 1 92  LYS 92  66  66  LYS LYS B . n 
B 1 93  ASN 93  67  67  ASN ASN B . n 
B 1 94  GLY 94  68  68  GLY GLY B . n 
B 1 95  GLN 95  69  69  GLN GLN B . n 
B 1 96  THR 96  70  70  THR THR B . n 
B 1 97  ASN 97  71  71  ASN ASN B . n 
B 1 98  CYS 98  72  72  CYS CYS B . n 
B 1 99  TYR 99  73  73  TYR TYR B . n 
B 1 100 GLN 100 74  74  GLN GLN B . n 
B 1 101 SER 101 75  75  SER SER B . n 
B 1 102 TYR 102 76  76  TYR TYR B . n 
B 1 103 SER 103 77  77  SER SER B . n 
B 1 104 THR 104 78  78  THR THR B . n 
B 1 105 MET 105 79  79  MET MET B . n 
B 1 106 SER 106 80  80  SER SER B . n 
B 1 107 ILE 107 81  81  ILE ILE B . n 
B 1 108 THR 108 82  82  THR THR B . n 
B 1 109 ASP 109 83  83  ASP ASP B . n 
B 1 110 CYS 110 84  84  CYS CYS B . n 
B 1 111 ARG 111 85  85  ARG ARG B . n 
B 1 112 GLU 112 86  86  GLU GLU B . n 
B 1 113 THR 113 87  87  THR THR B . n 
B 1 114 GLY 114 88  88  GLY GLY B . n 
B 1 115 SER 115 89  89  SER SER B . n 
B 1 116 SER 116 90  90  SER SER B . n 
B 1 117 LYS 117 91  91  LYS LYS B . n 
B 1 118 TYR 118 92  92  TYR TYR B . n 
B 1 119 PRO 119 93  93  PRO PRO B . n 
B 1 120 ASN 120 94  94  ASN ASN B . n 
B 1 121 CYS 121 95  95  CYS CYS B . n 
B 1 122 ALA 122 96  96  ALA ALA B . n 
B 1 123 TYR 123 97  97  TYR TYR B . n 
B 1 124 LYS 124 98  98  LYS LYS B . n 
B 1 125 THR 125 99  99  THR THR B . n 
B 1 126 THR 126 100 100 THR THR B . n 
B 1 127 GLN 127 101 101 GLN GLN B . n 
B 1 128 ALA 128 102 102 ALA ALA B . n 
B 1 129 ASN 129 103 103 ASN ASN B . n 
B 1 130 LYS 130 104 104 LYS LYS B . n 
B 1 131 HIS 131 105 105 HIS HIS B . n 
B 1 132 ILE 132 106 106 ILE ILE B . n 
B 1 133 ILE 133 107 107 ILE ILE B . n 
B 1 134 VAL 134 108 108 VAL VAL B . n 
B 1 135 ALA 135 109 109 ALA ALA B . n 
B 1 136 CYS 136 110 110 CYS CYS B . n 
B 1 137 GLU 137 111 111 GLU GLU B . n 
B 1 138 GLY 138 112 112 GLY GLY B . n 
B 1 139 ASN 139 113 113 ASN ASN B . n 
B 1 140 PRO 140 114 114 PRO PRO B . n 
B 1 141 TYR 141 115 115 TYR TYR B . n 
B 1 142 VAL 142 116 116 VAL VAL B . n 
B 1 143 PRO 143 117 117 PRO PRO B . n 
B 1 144 VAL 144 118 118 VAL VAL B . n 
B 1 145 HIS 145 119 119 HIS HIS B . n 
B 1 146 PHE 146 120 120 PHE PHE B . n 
B 1 147 ASP 147 121 121 ASP ASP B . n 
B 1 148 ALA 148 122 122 ALA ALA B . n 
B 1 149 SER 149 123 123 SER SER B . n 
B 1 150 VAL 150 124 124 VAL VAL B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1IHW 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IHW 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 2 SO4   1   201 202 SO4   SO4 A . 
D 3 A1IHW 1   201 1   A1IHW TML B . 
E 4 HOH   1   301 253 HOH   HOH A . 
E 4 HOH   2   302 243 HOH   HOH A . 
E 4 HOH   3   303 165 HOH   HOH A . 
E 4 HOH   4   304 100 HOH   HOH A . 
E 4 HOH   5   305 265 HOH   HOH A . 
E 4 HOH   6   306 285 HOH   HOH A . 
E 4 HOH   7   307 271 HOH   HOH A . 
E 4 HOH   8   308 81  HOH   HOH A . 
E 4 HOH   9   309 48  HOH   HOH A . 
E 4 HOH   10  310 296 HOH   HOH A . 
E 4 HOH   11  311 110 HOH   HOH A . 
E 4 HOH   12  312 206 HOH   HOH A . 
E 4 HOH   13  313 107 HOH   HOH A . 
E 4 HOH   14  314 299 HOH   HOH A . 
E 4 HOH   15  315 288 HOH   HOH A . 
E 4 HOH   16  316 120 HOH   HOH A . 
E 4 HOH   17  317 33  HOH   HOH A . 
E 4 HOH   18  318 175 HOH   HOH A . 
E 4 HOH   19  319 236 HOH   HOH A . 
E 4 HOH   20  320 56  HOH   HOH A . 
E 4 HOH   21  321 28  HOH   HOH A . 
E 4 HOH   22  322 249 HOH   HOH A . 
E 4 HOH   23  323 208 HOH   HOH A . 
E 4 HOH   24  324 315 HOH   HOH A . 
E 4 HOH   25  325 96  HOH   HOH A . 
E 4 HOH   26  326 88  HOH   HOH A . 
E 4 HOH   27  327 4   HOH   HOH A . 
E 4 HOH   28  328 117 HOH   HOH A . 
E 4 HOH   29  329 76  HOH   HOH A . 
E 4 HOH   30  330 36  HOH   HOH A . 
E 4 HOH   31  331 233 HOH   HOH A . 
E 4 HOH   32  332 124 HOH   HOH A . 
E 4 HOH   33  333 159 HOH   HOH A . 
E 4 HOH   34  334 290 HOH   HOH A . 
E 4 HOH   35  335 115 HOH   HOH A . 
E 4 HOH   36  336 155 HOH   HOH A . 
E 4 HOH   37  337 137 HOH   HOH A . 
E 4 HOH   38  338 300 HOH   HOH A . 
E 4 HOH   39  339 79  HOH   HOH A . 
E 4 HOH   40  340 266 HOH   HOH A . 
E 4 HOH   41  341 275 HOH   HOH A . 
E 4 HOH   42  342 212 HOH   HOH A . 
E 4 HOH   43  343 37  HOH   HOH A . 
E 4 HOH   44  344 144 HOH   HOH A . 
E 4 HOH   45  345 53  HOH   HOH A . 
E 4 HOH   46  346 89  HOH   HOH A . 
E 4 HOH   47  347 133 HOH   HOH A . 
E 4 HOH   48  348 84  HOH   HOH A . 
E 4 HOH   49  349 160 HOH   HOH A . 
E 4 HOH   50  350 127 HOH   HOH A . 
E 4 HOH   51  351 67  HOH   HOH A . 
E 4 HOH   52  352 324 HOH   HOH A . 
E 4 HOH   53  353 17  HOH   HOH A . 
E 4 HOH   54  354 52  HOH   HOH A . 
E 4 HOH   55  355 328 HOH   HOH A . 
E 4 HOH   56  356 260 HOH   HOH A . 
E 4 HOH   57  357 239 HOH   HOH A . 
E 4 HOH   58  358 112 HOH   HOH A . 
E 4 HOH   59  359 9   HOH   HOH A . 
E 4 HOH   60  360 104 HOH   HOH A . 
E 4 HOH   61  361 174 HOH   HOH A . 
E 4 HOH   62  362 3   HOH   HOH A . 
E 4 HOH   63  363 5   HOH   HOH A . 
E 4 HOH   64  364 14  HOH   HOH A . 
E 4 HOH   65  365 311 HOH   HOH A . 
E 4 HOH   66  366 192 HOH   HOH A . 
E 4 HOH   67  367 199 HOH   HOH A . 
E 4 HOH   68  368 22  HOH   HOH A . 
E 4 HOH   69  369 305 HOH   HOH A . 
E 4 HOH   70  370 1   HOH   HOH A . 
E 4 HOH   71  371 196 HOH   HOH A . 
E 4 HOH   72  372 321 HOH   HOH A . 
E 4 HOH   73  373 58  HOH   HOH A . 
E 4 HOH   74  374 181 HOH   HOH A . 
E 4 HOH   75  375 333 HOH   HOH A . 
E 4 HOH   76  376 99  HOH   HOH A . 
E 4 HOH   77  377 118 HOH   HOH A . 
E 4 HOH   78  378 150 HOH   HOH A . 
E 4 HOH   79  379 284 HOH   HOH A . 
E 4 HOH   80  380 139 HOH   HOH A . 
E 4 HOH   81  381 227 HOH   HOH A . 
E 4 HOH   82  382 309 HOH   HOH A . 
E 4 HOH   83  383 80  HOH   HOH A . 
E 4 HOH   84  384 151 HOH   HOH A . 
E 4 HOH   85  385 154 HOH   HOH A . 
E 4 HOH   86  386 135 HOH   HOH A . 
E 4 HOH   87  387 45  HOH   HOH A . 
E 4 HOH   88  388 74  HOH   HOH A . 
E 4 HOH   89  389 238 HOH   HOH A . 
E 4 HOH   90  390 47  HOH   HOH A . 
E 4 HOH   91  391 19  HOH   HOH A . 
E 4 HOH   92  392 106 HOH   HOH A . 
E 4 HOH   93  393 24  HOH   HOH A . 
E 4 HOH   94  394 7   HOH   HOH A . 
E 4 HOH   95  395 327 HOH   HOH A . 
E 4 HOH   96  396 270 HOH   HOH A . 
E 4 HOH   97  397 180 HOH   HOH A . 
E 4 HOH   98  398 304 HOH   HOH A . 
E 4 HOH   99  399 223 HOH   HOH A . 
E 4 HOH   100 400 71  HOH   HOH A . 
E 4 HOH   101 401 267 HOH   HOH A . 
E 4 HOH   102 402 261 HOH   HOH A . 
E 4 HOH   103 403 125 HOH   HOH A . 
E 4 HOH   104 404 241 HOH   HOH A . 
E 4 HOH   105 405 73  HOH   HOH A . 
E 4 HOH   106 406 75  HOH   HOH A . 
E 4 HOH   107 407 60  HOH   HOH A . 
E 4 HOH   108 408 325 HOH   HOH A . 
E 4 HOH   109 409 102 HOH   HOH A . 
E 4 HOH   110 410 224 HOH   HOH A . 
E 4 HOH   111 411 313 HOH   HOH A . 
E 4 HOH   112 412 251 HOH   HOH A . 
E 4 HOH   113 413 277 HOH   HOH A . 
E 4 HOH   114 414 108 HOH   HOH A . 
E 4 HOH   115 415 312 HOH   HOH A . 
E 4 HOH   116 416 172 HOH   HOH A . 
E 4 HOH   117 417 190 HOH   HOH A . 
E 4 HOH   118 418 280 HOH   HOH A . 
E 4 HOH   119 419 245 HOH   HOH A . 
E 4 HOH   120 420 274 HOH   HOH A . 
E 4 HOH   121 421 131 HOH   HOH A . 
E 4 HOH   122 422 287 HOH   HOH A . 
E 4 HOH   123 423 171 HOH   HOH A . 
E 4 HOH   124 424 153 HOH   HOH A . 
E 4 HOH   125 425 232 HOH   HOH A . 
E 4 HOH   126 426 219 HOH   HOH A . 
E 4 HOH   127 427 176 HOH   HOH A . 
E 4 HOH   128 428 186 HOH   HOH A . 
E 4 HOH   129 429 178 HOH   HOH A . 
E 4 HOH   130 430 231 HOH   HOH A . 
E 4 HOH   131 431 72  HOH   HOH A . 
E 4 HOH   132 432 230 HOH   HOH A . 
E 4 HOH   133 433 169 HOH   HOH A . 
E 4 HOH   134 434 191 HOH   HOH A . 
E 4 HOH   135 435 256 HOH   HOH A . 
E 4 HOH   136 436 228 HOH   HOH A . 
E 4 HOH   137 437 307 HOH   HOH A . 
E 4 HOH   138 438 136 HOH   HOH A . 
E 4 HOH   139 439 254 HOH   HOH A . 
E 4 HOH   140 440 179 HOH   HOH A . 
E 4 HOH   141 441 87  HOH   HOH A . 
E 4 HOH   142 442 189 HOH   HOH A . 
F 4 HOH   1   301 213 HOH   HOH B . 
F 4 HOH   2   302 198 HOH   HOH B . 
F 4 HOH   3   303 248 HOH   HOH B . 
F 4 HOH   4   304 83  HOH   HOH B . 
F 4 HOH   5   305 162 HOH   HOH B . 
F 4 HOH   6   306 252 HOH   HOH B . 
F 4 HOH   7   307 148 HOH   HOH B . 
F 4 HOH   8   308 234 HOH   HOH B . 
F 4 HOH   9   309 157 HOH   HOH B . 
F 4 HOH   10  310 201 HOH   HOH B . 
F 4 HOH   11  311 49  HOH   HOH B . 
F 4 HOH   12  312 86  HOH   HOH B . 
F 4 HOH   13  313 262 HOH   HOH B . 
F 4 HOH   14  314 39  HOH   HOH B . 
F 4 HOH   15  315 146 HOH   HOH B . 
F 4 HOH   16  316 283 HOH   HOH B . 
F 4 HOH   17  317 121 HOH   HOH B . 
F 4 HOH   18  318 250 HOH   HOH B . 
F 4 HOH   19  319 214 HOH   HOH B . 
F 4 HOH   20  320 216 HOH   HOH B . 
F 4 HOH   21  321 320 HOH   HOH B . 
F 4 HOH   22  322 20  HOH   HOH B . 
F 4 HOH   23  323 293 HOH   HOH B . 
F 4 HOH   24  324 276 HOH   HOH B . 
F 4 HOH   25  325 119 HOH   HOH B . 
F 4 HOH   26  326 301 HOH   HOH B . 
F 4 HOH   27  327 237 HOH   HOH B . 
F 4 HOH   28  328 318 HOH   HOH B . 
F 4 HOH   29  329 126 HOH   HOH B . 
F 4 HOH   30  330 23  HOH   HOH B . 
F 4 HOH   31  331 11  HOH   HOH B . 
F 4 HOH   32  332 85  HOH   HOH B . 
F 4 HOH   33  333 43  HOH   HOH B . 
F 4 HOH   34  334 289 HOH   HOH B . 
F 4 HOH   35  335 310 HOH   HOH B . 
F 4 HOH   36  336 210 HOH   HOH B . 
F 4 HOH   37  337 50  HOH   HOH B . 
F 4 HOH   38  338 240 HOH   HOH B . 
F 4 HOH   39  339 158 HOH   HOH B . 
F 4 HOH   40  340 140 HOH   HOH B . 
F 4 HOH   41  341 26  HOH   HOH B . 
F 4 HOH   42  342 167 HOH   HOH B . 
F 4 HOH   43  343 15  HOH   HOH B . 
F 4 HOH   44  344 46  HOH   HOH B . 
F 4 HOH   45  345 183 HOH   HOH B . 
F 4 HOH   46  346 132 HOH   HOH B . 
F 4 HOH   47  347 202 HOH   HOH B . 
F 4 HOH   48  348 303 HOH   HOH B . 
F 4 HOH   49  349 38  HOH   HOH B . 
F 4 HOH   50  350 128 HOH   HOH B . 
F 4 HOH   51  351 215 HOH   HOH B . 
F 4 HOH   52  352 269 HOH   HOH B . 
F 4 HOH   53  353 2   HOH   HOH B . 
F 4 HOH   54  354 97  HOH   HOH B . 
F 4 HOH   55  355 51  HOH   HOH B . 
F 4 HOH   56  356 264 HOH   HOH B . 
F 4 HOH   57  357 308 HOH   HOH B . 
F 4 HOH   58  358 103 HOH   HOH B . 
F 4 HOH   59  359 12  HOH   HOH B . 
F 4 HOH   60  360 18  HOH   HOH B . 
F 4 HOH   61  361 6   HOH   HOH B . 
F 4 HOH   62  362 122 HOH   HOH B . 
F 4 HOH   63  363 279 HOH   HOH B . 
F 4 HOH   64  364 193 HOH   HOH B . 
F 4 HOH   65  365 152 HOH   HOH B . 
F 4 HOH   66  366 63  HOH   HOH B . 
F 4 HOH   67  367 13  HOH   HOH B . 
F 4 HOH   68  368 242 HOH   HOH B . 
F 4 HOH   69  369 222 HOH   HOH B . 
F 4 HOH   70  370 62  HOH   HOH B . 
F 4 HOH   71  371 21  HOH   HOH B . 
F 4 HOH   72  372 35  HOH   HOH B . 
F 4 HOH   73  373 185 HOH   HOH B . 
F 4 HOH   74  374 95  HOH   HOH B . 
F 4 HOH   75  375 200 HOH   HOH B . 
F 4 HOH   76  376 273 HOH   HOH B . 
F 4 HOH   77  377 8   HOH   HOH B . 
F 4 HOH   78  378 220 HOH   HOH B . 
F 4 HOH   79  379 61  HOH   HOH B . 
F 4 HOH   80  380 331 HOH   HOH B . 
F 4 HOH   81  381 68  HOH   HOH B . 
F 4 HOH   82  382 322 HOH   HOH B . 
F 4 HOH   83  383 98  HOH   HOH B . 
F 4 HOH   84  384 10  HOH   HOH B . 
F 4 HOH   85  385 64  HOH   HOH B . 
F 4 HOH   86  386 207 HOH   HOH B . 
F 4 HOH   87  387 70  HOH   HOH B . 
F 4 HOH   88  388 113 HOH   HOH B . 
F 4 HOH   89  389 25  HOH   HOH B . 
F 4 HOH   90  390 78  HOH   HOH B . 
F 4 HOH   91  391 57  HOH   HOH B . 
F 4 HOH   92  392 203 HOH   HOH B . 
F 4 HOH   93  393 156 HOH   HOH B . 
F 4 HOH   94  394 205 HOH   HOH B . 
F 4 HOH   95  395 16  HOH   HOH B . 
F 4 HOH   96  396 55  HOH   HOH B . 
F 4 HOH   97  397 101 HOH   HOH B . 
F 4 HOH   98  398 123 HOH   HOH B . 
F 4 HOH   99  399 82  HOH   HOH B . 
F 4 HOH   100 400 314 HOH   HOH B . 
F 4 HOH   101 401 316 HOH   HOH B . 
F 4 HOH   102 402 142 HOH   HOH B . 
F 4 HOH   103 403 221 HOH   HOH B . 
F 4 HOH   104 404 42  HOH   HOH B . 
F 4 HOH   105 405 323 HOH   HOH B . 
F 4 HOH   106 406 29  HOH   HOH B . 
F 4 HOH   107 407 297 HOH   HOH B . 
F 4 HOH   108 408 65  HOH   HOH B . 
F 4 HOH   109 409 54  HOH   HOH B . 
F 4 HOH   110 410 91  HOH   HOH B . 
F 4 HOH   111 411 92  HOH   HOH B . 
F 4 HOH   112 412 302 HOH   HOH B . 
F 4 HOH   113 413 40  HOH   HOH B . 
F 4 HOH   114 414 59  HOH   HOH B . 
F 4 HOH   115 415 30  HOH   HOH B . 
F 4 HOH   116 416 141 HOH   HOH B . 
F 4 HOH   117 417 138 HOH   HOH B . 
F 4 HOH   118 418 330 HOH   HOH B . 
F 4 HOH   119 419 111 HOH   HOH B . 
F 4 HOH   120 420 326 HOH   HOH B . 
F 4 HOH   121 421 195 HOH   HOH B . 
F 4 HOH   122 422 94  HOH   HOH B . 
F 4 HOH   123 423 255 HOH   HOH B . 
F 4 HOH   124 424 163 HOH   HOH B . 
F 4 HOH   125 425 182 HOH   HOH B . 
F 4 HOH   126 426 244 HOH   HOH B . 
F 4 HOH   127 427 278 HOH   HOH B . 
F 4 HOH   128 428 77  HOH   HOH B . 
F 4 HOH   129 429 188 HOH   HOH B . 
F 4 HOH   130 430 294 HOH   HOH B . 
F 4 HOH   131 431 116 HOH   HOH B . 
F 4 HOH   132 432 184 HOH   HOH B . 
F 4 HOH   133 433 204 HOH   HOH B . 
F 4 HOH   134 434 114 HOH   HOH B . 
F 4 HOH   135 435 263 HOH   HOH B . 
F 4 HOH   136 436 93  HOH   HOH B . 
F 4 HOH   137 437 105 HOH   HOH B . 
F 4 HOH   138 438 295 HOH   HOH B . 
F 4 HOH   139 439 246 HOH   HOH B . 
F 4 HOH   140 440 197 HOH   HOH B . 
F 4 HOH   141 441 218 HOH   HOH B . 
F 4 HOH   142 442 109 HOH   HOH B . 
F 4 HOH   143 443 164 HOH   HOH B . 
F 4 HOH   144 444 31  HOH   HOH B . 
F 4 HOH   145 445 286 HOH   HOH B . 
F 4 HOH   146 446 69  HOH   HOH B . 
F 4 HOH   147 447 32  HOH   HOH B . 
F 4 HOH   148 448 143 HOH   HOH B . 
F 4 HOH   149 449 44  HOH   HOH B . 
F 4 HOH   150 450 209 HOH   HOH B . 
F 4 HOH   151 451 34  HOH   HOH B . 
F 4 HOH   152 452 90  HOH   HOH B . 
F 4 HOH   153 453 317 HOH   HOH B . 
F 4 HOH   154 454 247 HOH   HOH B . 
F 4 HOH   155 455 177 HOH   HOH B . 
F 4 HOH   156 456 298 HOH   HOH B . 
F 4 HOH   157 457 319 HOH   HOH B . 
F 4 HOH   158 458 282 HOH   HOH B . 
F 4 HOH   159 459 161 HOH   HOH B . 
F 4 HOH   160 460 134 HOH   HOH B . 
F 4 HOH   161 461 268 HOH   HOH B . 
F 4 HOH   162 462 306 HOH   HOH B . 
F 4 HOH   163 463 272 HOH   HOH B . 
F 4 HOH   164 464 281 HOH   HOH B . 
F 4 HOH   165 465 329 HOH   HOH B . 
F 4 HOH   166 466 170 HOH   HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A LYS 1 ? CG ? A LYS 27 CG 
2 1 Y 1 A LYS 1 ? CD ? A LYS 27 CD 
3 1 Y 1 A LYS 1 ? CE ? A LYS 27 CE 
4 1 Y 1 A LYS 1 ? NZ ? A LYS 27 NZ 
5 1 Y 1 B LYS 1 ? CG ? B LYS 27 CG 
6 1 Y 1 B LYS 1 ? CD ? B LYS 27 CD 
7 1 Y 1 B LYS 1 ? CE ? B LYS 27 CE 
8 1 Y 1 B LYS 1 ? NZ ? B LYS 27 NZ 
# 
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' ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.290 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9FYW 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     100.620 
_cell.length_a_esd                 ? 
_cell.length_b                     32.740 
_cell.length_b_esd                 ? 
_cell.length_c                     72.250 
_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                         9FYW 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                5 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'C 1 2 1' 
_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                   9FYW 
_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             2.04 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          39.68 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              5.1 
_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    
;Free-interface diffusion of a 10 uL of 30 mg/ml protein solution, 20 mM sodium citrate at pH 5.3 agaist 10 ul isopropanol 99.9% isopropanol
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2022-07-16 
_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   1.0 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ELETTRA BEAMLINE 11.2C' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.0 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   11.2C 
_diffrn_source.pdbx_synchrotron_site       ELETTRA 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9FYW 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.40 
_reflns.d_resolution_low                               72.25 
_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                                     36934 
_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                           91.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                5.6 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          19.4 
_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                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.048 
_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                                    1.40 
_reflns_shell.d_res_low                                     1.53 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.2 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             960 
_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                                  0.820 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.494 
_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]                            0.001 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -0.000 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -0.001 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               19.483 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.964 
_refine.correlation_coeff_Fo_to_Fc_free          0.948 
_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                                 9FYW 
_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                            1.400 
_refine.ls_d_res_low                             72.249 
_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                     36934 
_refine.ls_number_reflns_R_free                  1758 
_refine.ls_number_reflns_R_work                  35176 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    78.803 
_refine.ls_percent_reflns_R_free                 4.760 
_refine.ls_R_factor_all                          0.176 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2143 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1745 
_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                       0.081 
_refine.pdbx_overall_ESU_R_Free                  0.085 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             1.344 
_refine.overall_SU_ML                            0.051 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1894 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         36 
_refine_hist.number_atoms_solvent             308 
_refine_hist.number_atoms_total               2238 
_refine_hist.d_res_high                       1.400 
_refine_hist.d_res_low                        72.249 
# 
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' ? 0.010  0.012  2062 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1775 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.756  1.829  2826 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.607  1.774  4123 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.041  5.000  268  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 4.073  5.000  8    ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 11.478 10.000 341  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 16.178 10.000 92   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.087  0.200  303  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.011  0.020  2486 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.004  0.020  464  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.212  0.200  412  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.200  0.200  1707 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.174  0.200  1011 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.084  0.200  1075 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.157  0.200  219  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.159  0.200  1    ? r_symmetry_xyhbond_nbd_other   ? ? 
'X-RAY DIFFRACTION' ? 0.200  0.200  22   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.185  0.200  90   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.172  0.200  54   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 2.539  2.082  1045 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.539  2.082  1045 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.041  3.737  1322 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.039  3.737  1323 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.792  2.266  1017 ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.802  2.248  985  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.393  4.070  1506 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.445  4.005  1446 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 8.439  25.773 2451 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 8.383  21.680 2315 ? 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' 1.400 1.436  3444 . 16  376  11.3821  . 0.315 . . 0.316 . . . . . 0.306 . 20 . 0.930 0.958 0.303 
'X-RAY DIFFRACTION' 1.436 1.476  3345 . 49  917  28.8789  . 0.281 . . 0.281 . . . . . 0.267 . 20 . 0.945 0.961 0.290 
'X-RAY DIFFRACTION' 1.476 1.519  3258 . 77  1388 44.9662  . 0.271 . . 0.269 . . . . . 0.252 . 20 . 0.952 0.939 0.312 
'X-RAY DIFFRACTION' 1.519 1.565  3163 . 82  1753 58.0145  . 0.243 . . 0.241 . . . . . 0.214 . 20 . 0.960 0.950 0.275 
'X-RAY DIFFRACTION' 1.565 1.617  3036 . 101 2043 70.6192  . 0.211 . . 0.210 . . . . . 0.181 . 20 . 0.971 0.967 0.223 
'X-RAY DIFFRACTION' 1.617 1.673  2977 . 120 2423 85.4216  . 0.198 . . 0.196 . . . . . 0.168 . 20 . 0.975 0.967 0.234 
'X-RAY DIFFRACTION' 1.673 1.736  2891 . 146 2741 99.8616  . 0.178 . . 0.176 . . . . . 0.152 . 20 . 0.980 0.974 0.206 
'X-RAY DIFFRACTION' 1.736 1.807  2773 . 100 2673 100.0000 . 0.160 . . 0.157 . . . . . 0.135 . 20 . 0.985 0.970 0.230 
'X-RAY DIFFRACTION' 1.807 1.888  2641 . 144 2496 99.9621  . 0.176 . . 0.175 . . . . . 0.156 . 20 . 0.981 0.977 0.185 
'X-RAY DIFFRACTION' 1.888 1.980  2528 . 132 2386 99.6044  . 0.178 . . 0.176 . . . . . 0.161 . 20 . 0.981 0.970 0.214 
'X-RAY DIFFRACTION' 1.980 2.087  2428 . 122 2306 100.0000 . 0.180 . . 0.177 . . . . . 0.167 . 20 . 0.981 0.966 0.236 
'X-RAY DIFFRACTION' 2.087 2.213  2292 . 93  2199 100.0000 . 0.174 . . 0.173 . . . . . 0.166 . 20 . 0.982 0.972 0.206 
'X-RAY DIFFRACTION' 2.213 2.366  2157 . 86  2066 99.7682  . 0.172 . . 0.170 . . . . . 0.167 . 20 . 0.982 0.965 0.243 
'X-RAY DIFFRACTION' 2.366 2.555  2028 . 104 1918 99.7041  . 0.163 . . 0.161 . . . . . 0.165 . 20 . 0.983 0.975 0.205 
'X-RAY DIFFRACTION' 2.555 2.799  1861 . 95  1764 99.8925  . 0.164 . . 0.161 . . . . . 0.170 . 20 . 0.983 0.970 0.217 
'X-RAY DIFFRACTION' 2.799 3.128  1675 . 83  1592 100.0000 . 0.162 . . 0.159 . . . . . 0.173 . 20 . 0.984 0.967 0.219 
'X-RAY DIFFRACTION' 3.128 3.611  1507 . 65  1436 99.6019  . 0.164 . . 0.162 . . . . . 0.184 . 20 . 0.984 0.975 0.190 
'X-RAY DIFFRACTION' 3.611 4.420  1274 . 69  1201 99.6860  . 0.154 . . 0.151 . . . . . 0.181 . 20 . 0.986 0.975 0.213 
'X-RAY DIFFRACTION' 4.420 6.239  997  . 57  935  99.4985  . 0.177 . . 0.177 . . . . . 0.224 . 20 . 0.985 0.980 0.187 
'X-RAY DIFFRACTION' 6.239 72.249 591  . 17  564  98.3080  . 0.244 . . 0.244 . . . . . 0.295 . 20 . 0.956 0.968 0.233 
# 
_struct.entry_id                     9FYW 
_struct.title                        
'X-ray structure of the adduct formed upon reaction of RNase A with [Ru2Cl(D-p-CNPhF)(O2CCH3)3]' 
_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        9FYW 
_struct_keywords.text            'Diruthenium, Protein interaction, Metallodrug, HYDROLASE' 
_struct_keywords.pdbx_keywords   HYDROLASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 1 ? 
C N N 2 ? 
D N N 3 ? 
E N N 4 ? 
F N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RNAS1_BOVIN 
_struct_ref.pdbx_db_accession          P61823 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MALKSLVLLSLLVLVLLLVRVQPSLGKETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADV
QAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV
;
_struct_ref.pdbx_align_begin           1 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9FYW A 1 ? 150 ? P61823 1 ? 150 ? -25 124 
2 1 9FYW B 1 ? 150 ? P61823 1 ? 150 ? -25 124 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_defined_assembly ? monomeric 1 
2 author_defined_assembly ? monomeric 1 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,C,E 
2 1 B,D,F 
# 
_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 THR A 29 ? MET A 39 ? THR A 3  MET A 13 1 ? 11 
HELX_P HELX_P2 AA2 ASN A 50 ? ARG A 59 ? ASN A 24 ARG A 33 1 ? 10 
HELX_P HELX_P3 AA3 SER A 76 ? ALA A 82 ? SER A 50 ALA A 56 1 ? 7  
HELX_P HELX_P4 AA4 VAL A 83 ? GLN A 86 ? VAL A 57 GLN A 60 5 ? 4  
HELX_P HELX_P5 AA5 THR B 29 ? MET B 39 ? THR B 3  MET B 13 1 ? 11 
HELX_P HELX_P6 AA6 ASN B 50 ? ARG B 59 ? ASN B 24 ARG B 33 1 ? 10 
HELX_P HELX_P7 AA7 SER B 76 ? ALA B 82 ? SER B 50 ALA B 56 1 ? 7  
HELX_P HELX_P8 AA8 VAL B 83 ? GLN B 86 ? VAL B 57 GLN B 60 5 ? 4  
# 
_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 52  SG  ? ? ? 1_555 A CYS   110 SG  ? ? A CYS 26  A CYS   84  1_555 ? ? ? ? ? ? ? 2.052 ? ? 
disulf2 disulf ? ? A CYS 66  SG  ? ? ? 1_555 A CYS   121 SG  ? ? A CYS 40  A CYS   95  1_555 ? ? ? ? ? ? ? 1.999 ? ? 
disulf3 disulf ? ? A CYS 84  SG  ? ? ? 1_555 A CYS   136 SG  ? ? A CYS 58  A CYS   110 1_555 ? ? ? ? ? ? ? 2.126 ? ? 
disulf4 disulf ? ? A CYS 91  SG  ? ? ? 1_555 A CYS   98  SG  ? ? A CYS 65  A CYS   72  1_555 ? ? ? ? ? ? ? 2.128 ? ? 
disulf5 disulf ? ? B CYS 52  SG  ? ? ? 1_555 B CYS   110 SG  ? ? B CYS 26  B CYS   84  1_555 ? ? ? ? ? ? ? 2.033 ? ? 
disulf6 disulf ? ? B CYS 66  SG  ? ? ? 1_555 B CYS   121 SG  ? ? B CYS 40  B CYS   95  1_555 ? ? ? ? ? ? ? 2.035 ? ? 
disulf7 disulf ? ? B CYS 84  SG  ? ? ? 1_555 B CYS   136 SG  ? ? B CYS 58  B CYS   110 1_555 ? ? ? ? ? ? ? 2.071 ? ? 
disulf8 disulf ? ? B CYS 91  SG  ? ? ? 1_555 B CYS   98  SG  ? ? B CYS 65  B CYS   72  1_555 ? ? ? ? ? ? ? 2.051 ? ? 
metalc1 metalc ? ? B HIS 131 NE2 ? ? ? 1_555 D A1IHW .   RU2 ? ? B HIS 105 B A1IHW 201 1_555 ? ? ? ? ? ? ? 2.191 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  NE2 ? B HIS   131 ? B HIS   105 ? 1_555 RU2 ? D A1IHW . ? B A1IHW 201 ? 1_555 RU1 ? D A1IHW . ? B A1IHW 201 ? 1_555 171.9 ? 
2  NE2 ? B HIS   131 ? B HIS   105 ? 1_555 RU2 ? D A1IHW . ? B A1IHW 201 ? 1_555 O6  ? D A1IHW . ? B A1IHW 201 ? 1_555 100.4 ? 
3  RU1 ? D A1IHW .   ? B A1IHW 201 ? 1_555 RU2 ? D A1IHW . ? B A1IHW 201 ? 1_555 O6  ? D A1IHW . ? B A1IHW 201 ? 1_555 87.4  ? 
4  NE2 ? B HIS   131 ? B HIS   105 ? 1_555 RU2 ? D A1IHW . ? B A1IHW 201 ? 1_555 O2  ? D A1IHW . ? B A1IHW 201 ? 1_555 82.4  ? 
5  RU1 ? D A1IHW .   ? B A1IHW 201 ? 1_555 RU2 ? D A1IHW . ? B A1IHW 201 ? 1_555 O2  ? D A1IHW . ? B A1IHW 201 ? 1_555 89.7  ? 
6  O6  ? D A1IHW .   ? B A1IHW 201 ? 1_555 RU2 ? D A1IHW . ? B A1IHW 201 ? 1_555 O2  ? D A1IHW . ? B A1IHW 201 ? 1_555 176.8 ? 
7  NE2 ? B HIS   131 ? B HIS   105 ? 1_555 RU2 ? D A1IHW . ? B A1IHW 201 ? 1_555 O4  ? D A1IHW . ? B A1IHW 201 ? 1_555 95.2  ? 
8  RU1 ? D A1IHW .   ? B A1IHW 201 ? 1_555 RU2 ? D A1IHW . ? B A1IHW 201 ? 1_555 O4  ? D A1IHW . ? B A1IHW 201 ? 1_555 86.9  ? 
9  O6  ? D A1IHW .   ? B A1IHW 201 ? 1_555 RU2 ? D A1IHW . ? B A1IHW 201 ? 1_555 O4  ? D A1IHW . ? B A1IHW 201 ? 1_555 90.9  ? 
10 O2  ? D A1IHW .   ? B A1IHW 201 ? 1_555 RU2 ? D A1IHW . ? B A1IHW 201 ? 1_555 O4  ? D A1IHW . ? B A1IHW 201 ? 1_555 90.4  ? 
11 NE2 ? B HIS   131 ? B HIS   105 ? 1_555 RU2 ? D A1IHW . ? B A1IHW 201 ? 1_555 N2  ? D A1IHW . ? B A1IHW 201 ? 1_555 92.1  ? 
12 RU1 ? D A1IHW .   ? B A1IHW 201 ? 1_555 RU2 ? D A1IHW . ? B A1IHW 201 ? 1_555 N2  ? D A1IHW . ? B A1IHW 201 ? 1_555 86.3  ? 
13 O6  ? D A1IHW .   ? B A1IHW 201 ? 1_555 RU2 ? D A1IHW . ? B A1IHW 201 ? 1_555 N2  ? D A1IHW . ? B A1IHW 201 ? 1_555 84.7  ? 
14 O2  ? D A1IHW .   ? B A1IHW 201 ? 1_555 RU2 ? D A1IHW . ? B A1IHW 201 ? 1_555 N2  ? D A1IHW . ? B A1IHW 201 ? 1_555 93.6  ? 
15 O4  ? D A1IHW .   ? B A1IHW 201 ? 1_555 RU2 ? D A1IHW . ? B A1IHW 201 ? 1_555 N2  ? D A1IHW . ? B A1IHW 201 ? 1_555 172.1 ? 
# 
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 52 ? CYS A 110 ? CYS A 26 ? 1_555 CYS A 84  ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 66 ? CYS A 121 ? CYS A 40 ? 1_555 CYS A 95  ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 84 ? CYS A 136 ? CYS A 58 ? 1_555 CYS A 110 ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 91 ? CYS A 98  ? CYS A 65 ? 1_555 CYS A 72  ? 1_555 SG SG . . . None 'Disulfide bridge' 
5 CYS B 52 ? CYS B 110 ? CYS B 26 ? 1_555 CYS B 84  ? 1_555 SG SG . . . None 'Disulfide bridge' 
6 CYS B 66 ? CYS B 121 ? CYS B 40 ? 1_555 CYS B 95  ? 1_555 SG SG . . . None 'Disulfide bridge' 
7 CYS B 84 ? CYS B 136 ? CYS B 58 ? 1_555 CYS B 110 ? 1_555 SG SG . . . None 'Disulfide bridge' 
8 CYS B 91 ? CYS B 98  ? CYS B 65 ? 1_555 CYS B 72  ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 TYR 118 A . ? TYR 92  A PRO 119 A ? PRO 93  A 1 4.57  
2 ASN 139 A . ? ASN 113 A PRO 140 A ? PRO 114 A 1 12.78 
3 TYR 118 B . ? TYR 92  B PRO 119 B ? PRO 93  B 1 7.72  
4 ASN 139 B . ? ASN 113 B PRO 140 B ? PRO 114 B 1 2.27  
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 5 ? 
AA2 ? 4 ? 
AA3 ? 5 ? 
AA4 ? 4 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
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 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? anti-parallel 
AA4 3 4 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 VAL A 69  ? VAL A 73  ? VAL A 43  VAL A 47  
AA1 2 MET A 105 ? GLU A 112 ? MET A 79  GLU A 86  
AA1 3 TYR A 123 ? GLU A 137 ? TYR A 97  GLU A 111 
AA1 4 CYS A 98  ? GLN A 100 ? CYS A 72  GLN A 74  
AA1 5 LYS A 87  ? VAL A 89  ? LYS A 61  VAL A 63  
AA2 1 VAL A 69  ? VAL A 73  ? VAL A 43  VAL A 47  
AA2 2 MET A 105 ? GLU A 112 ? MET A 79  GLU A 86  
AA2 3 TYR A 123 ? GLU A 137 ? TYR A 97  GLU A 111 
AA2 4 VAL A 142 ? VAL A 150 ? VAL A 116 VAL A 124 
AA3 1 VAL B 69  ? VAL B 73  ? VAL B 43  VAL B 47  
AA3 2 MET B 105 ? GLU B 112 ? MET B 79  GLU B 86  
AA3 3 TYR B 123 ? GLU B 137 ? TYR B 97  GLU B 111 
AA3 4 CYS B 98  ? GLN B 100 ? CYS B 72  GLN B 74  
AA3 5 LYS B 87  ? VAL B 89  ? LYS B 61  VAL B 63  
AA4 1 VAL B 69  ? VAL B 73  ? VAL B 43  VAL B 47  
AA4 2 MET B 105 ? GLU B 112 ? MET B 79  GLU B 86  
AA4 3 TYR B 123 ? GLU B 137 ? TYR B 97  GLU B 111 
AA4 4 VAL B 142 ? VAL B 150 ? VAL B 116 VAL B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N PHE A 72  ? N PHE A 46  O THR A 108 ? O THR A 82  
AA1 2 3 N ASP A 109 ? N ASP A 83  O THR A 126 ? O THR A 100 
AA1 3 4 O VAL A 134 ? O VAL A 108 N TYR A 99  ? N TYR A 73  
AA1 4 5 O GLN A 100 ? O GLN A 74  N LYS A 87  ? N LYS A 61  
AA2 1 2 N PHE A 72  ? N PHE A 46  O THR A 108 ? O THR A 82  
AA2 2 3 N ASP A 109 ? N ASP A 83  O THR A 126 ? O THR A 100 
AA2 3 4 N ALA A 135 ? N ALA A 109 O VAL A 144 ? O VAL A 118 
AA3 1 2 N PHE B 72  ? N PHE B 46  O THR B 108 ? O THR B 82  
AA3 2 3 N ASP B 109 ? N ASP B 83  O THR B 126 ? O THR B 100 
AA3 3 4 O VAL B 134 ? O VAL B 108 N TYR B 99  ? N TYR B 73  
AA3 4 5 O GLN B 100 ? O GLN B 74  N LYS B 87  ? N LYS B 61  
AA4 1 2 N PHE B 72  ? N PHE B 46  O THR B 108 ? O THR B 82  
AA4 2 3 N ASP B 109 ? N ASP B 83  O THR B 126 ? O THR B 100 
AA4 3 4 N ALA B 135 ? N ALA B 109 O VAL B 144 ? O VAL B 118 
# 
_pdbx_entry_details.entry_id                   9FYW 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              33 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CZ 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              33 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NH2 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              33 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                123.74 
_pdbx_validate_rmsd_angle.angle_target_value         120.30 
_pdbx_validate_rmsd_angle.angle_deviation            3.44 
_pdbx_validate_rmsd_angle.angle_standard_deviation   0.50 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
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 ASN A 34 ? ? 70.15   33.31   
2  1 HIS A 48 ? ? -106.68 64.58   
3  1 GLN A 60 ? ? -96.93  -138.93 
4  1 GLN A 60 ? ? -97.04  -138.93 
5  1 ASN A 71 ? ? -97.16  42.90   
6  1 SER B 15 ? A -80.07  43.03   
7  1 THR B 17 ? ? 48.39   176.36  
8  1 SER B 21 ? ? 67.51   -72.45  
9  1 HIS B 48 ? B -108.25 50.63   
10 1 GLN B 60 ? ? -112.62 -128.59 
11 1 GLN B 60 ? ? -102.82 -128.59 
12 1 ASN B 71 ? ? -99.80  31.00   
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 322 ? E HOH . 
2 1 B HOH 313 ? F HOH . 
3 1 B HOH 435 ? F HOH . 
4 1 B HOH 461 ? F HOH . 
5 1 B HOH 466 ? F HOH . 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 442 ? 6.87 . 
2 1 O ? B HOH 466 ? 8.76 . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A MET -25 ? A MET 1  
2  1 Y 1 A ALA -24 ? A ALA 2  
3  1 Y 1 A LEU -23 ? A LEU 3  
4  1 Y 1 A LYS -22 ? A LYS 4  
5  1 Y 1 A SER -21 ? A SER 5  
6  1 Y 1 A LEU -20 ? A LEU 6  
7  1 Y 1 A VAL -19 ? A VAL 7  
8  1 Y 1 A LEU -18 ? A LEU 8  
9  1 Y 1 A LEU -17 ? A LEU 9  
10 1 Y 1 A SER -16 ? A SER 10 
11 1 Y 1 A LEU -15 ? A LEU 11 
12 1 Y 1 A LEU -14 ? A LEU 12 
13 1 Y 1 A VAL -13 ? A VAL 13 
14 1 Y 1 A LEU -12 ? A LEU 14 
15 1 Y 1 A VAL -11 ? A VAL 15 
16 1 Y 1 A LEU -10 ? A LEU 16 
17 1 Y 1 A LEU -9  ? A LEU 17 
18 1 Y 1 A LEU -8  ? A LEU 18 
19 1 Y 1 A VAL -7  ? A VAL 19 
20 1 Y 1 A ARG -6  ? A ARG 20 
21 1 Y 1 A VAL -5  ? A VAL 21 
22 1 Y 1 A GLN -4  ? A GLN 22 
23 1 Y 1 A PRO -3  ? A PRO 23 
24 1 Y 1 A SER -2  ? A SER 24 
25 1 Y 1 A LEU -1  ? A LEU 25 
26 1 Y 1 A GLY 0   ? A GLY 26 
27 1 Y 1 B MET -25 ? B MET 1  
28 1 Y 1 B ALA -24 ? B ALA 2  
29 1 Y 1 B LEU -23 ? B LEU 3  
30 1 Y 1 B LYS -22 ? B LYS 4  
31 1 Y 1 B SER -21 ? B SER 5  
32 1 Y 1 B LEU -20 ? B LEU 6  
33 1 Y 1 B VAL -19 ? B VAL 7  
34 1 Y 1 B LEU -18 ? B LEU 8  
35 1 Y 1 B LEU -17 ? B LEU 9  
36 1 Y 1 B SER -16 ? B SER 10 
37 1 Y 1 B LEU -15 ? B LEU 11 
38 1 Y 1 B LEU -14 ? B LEU 12 
39 1 Y 1 B VAL -13 ? B VAL 13 
40 1 Y 1 B LEU -12 ? B LEU 14 
41 1 Y 1 B VAL -11 ? B VAL 15 
42 1 Y 1 B LEU -10 ? B LEU 16 
43 1 Y 1 B LEU -9  ? B LEU 17 
44 1 Y 1 B LEU -8  ? B LEU 18 
45 1 Y 1 B VAL -7  ? B VAL 19 
46 1 Y 1 B ARG -6  ? B ARG 20 
47 1 Y 1 B VAL -5  ? B VAL 21 
48 1 Y 1 B GLN -4  ? B GLN 22 
49 1 Y 1 B PRO -3  ? B PRO 23 
50 1 Y 1 B SER -2  ? B SER 24 
51 1 Y 1 B LEU -1  ? B LEU 25 
52 1 Y 1 B GLY 0   ? B GLY 26 
# 
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 
A1IHW RU1  RU N N 1   
A1IHW RU2  RU N N 2   
A1IHW O6   O  N N 3   
A1IHW O1   O  N N 4   
A1IHW O2   O  N N 5   
A1IHW O5   O  N N 6   
A1IHW O3   O  N N 7   
A1IHW O4   O  N N 8   
A1IHW N2   N  N N 9   
A1IHW N1   N  N N 10  
A1IHW C1   C  N N 11  
A1IHW C7   C  N N 12  
A1IHW N3   N  N N 13  
A1IHW C5   C  N N 14  
A1IHW C2   C  N N 15  
A1IHW C20  C  Y N 16  
A1IHW C9   C  Y N 17  
A1IHW C10  C  Y N 18  
A1IHW C15  C  Y N 19  
A1IHW C8   C  Y N 20  
A1IHW C6   C  N N 21  
A1IHW C13  C  Y N 22  
A1IHW C16  C  Y N 23  
A1IHW C17  C  Y N 24  
A1IHW C11  C  Y N 25  
A1IHW C14  C  N N 26  
A1IHW N4   N  N N 27  
A1IHW C12  C  Y N 28  
A1IHW C18  C  Y N 29  
A1IHW C19  C  Y N 30  
A1IHW C21  C  N N 31  
A1IHW H5   H  N N 32  
A1IHW H8   H  N N 33  
A1IHW H9   H  N N 34  
A1IHW H10  H  N N 35  
A1IHW H11  H  N N 36  
A1IHW H12  H  N N 37  
A1IHW H13  H  N N 38  
A1IHW H14  H  N N 39  
A1IHW H15  H  N N 40  
A1IHW H16  H  N N 41  
A1IHW H17  H  N N 42  
A1IHW H18  H  N N 43  
A1IHW H19  H  N N 44  
A1IHW H20  H  N N 45  
A1IHW H21  H  N N 46  
A1IHW H22  H  N N 47  
A1IHW H23  H  N N 48  
A1IHW H24  H  N N 49  
A1IHW H1   H  N N 50  
A1IHW H2   H  N N 51  
ALA   N    N  N N 52  
ALA   CA   C  N S 53  
ALA   C    C  N N 54  
ALA   O    O  N N 55  
ALA   CB   C  N N 56  
ALA   OXT  O  N N 57  
ALA   H    H  N N 58  
ALA   H2   H  N N 59  
ALA   HA   H  N N 60  
ALA   HB1  H  N N 61  
ALA   HB2  H  N N 62  
ALA   HB3  H  N N 63  
ALA   HXT  H  N N 64  
ARG   N    N  N N 65  
ARG   CA   C  N S 66  
ARG   C    C  N N 67  
ARG   O    O  N N 68  
ARG   CB   C  N N 69  
ARG   CG   C  N N 70  
ARG   CD   C  N N 71  
ARG   NE   N  N N 72  
ARG   CZ   C  N N 73  
ARG   NH1  N  N N 74  
ARG   NH2  N  N N 75  
ARG   OXT  O  N N 76  
ARG   H    H  N N 77  
ARG   H2   H  N N 78  
ARG   HA   H  N N 79  
ARG   HB2  H  N N 80  
ARG   HB3  H  N N 81  
ARG   HG2  H  N N 82  
ARG   HG3  H  N N 83  
ARG   HD2  H  N N 84  
ARG   HD3  H  N N 85  
ARG   HE   H  N N 86  
ARG   HH11 H  N N 87  
ARG   HH12 H  N N 88  
ARG   HH21 H  N N 89  
ARG   HH22 H  N N 90  
ARG   HXT  H  N N 91  
ASN   N    N  N N 92  
ASN   CA   C  N S 93  
ASN   C    C  N N 94  
ASN   O    O  N N 95  
ASN   CB   C  N N 96  
ASN   CG   C  N N 97  
ASN   OD1  O  N N 98  
ASN   ND2  N  N N 99  
ASN   OXT  O  N N 100 
ASN   H    H  N N 101 
ASN   H2   H  N N 102 
ASN   HA   H  N N 103 
ASN   HB2  H  N N 104 
ASN   HB3  H  N N 105 
ASN   HD21 H  N N 106 
ASN   HD22 H  N N 107 
ASN   HXT  H  N N 108 
ASP   N    N  N N 109 
ASP   CA   C  N S 110 
ASP   C    C  N N 111 
ASP   O    O  N N 112 
ASP   CB   C  N N 113 
ASP   CG   C  N N 114 
ASP   OD1  O  N N 115 
ASP   OD2  O  N N 116 
ASP   OXT  O  N N 117 
ASP   H    H  N N 118 
ASP   H2   H  N N 119 
ASP   HA   H  N N 120 
ASP   HB2  H  N N 121 
ASP   HB3  H  N N 122 
ASP   HD2  H  N N 123 
ASP   HXT  H  N N 124 
CYS   N    N  N N 125 
CYS   CA   C  N R 126 
CYS   C    C  N N 127 
CYS   O    O  N N 128 
CYS   CB   C  N N 129 
CYS   SG   S  N N 130 
CYS   OXT  O  N N 131 
CYS   H    H  N N 132 
CYS   H2   H  N N 133 
CYS   HA   H  N N 134 
CYS   HB2  H  N N 135 
CYS   HB3  H  N N 136 
CYS   HG   H  N N 137 
CYS   HXT  H  N N 138 
GLN   N    N  N N 139 
GLN   CA   C  N S 140 
GLN   C    C  N N 141 
GLN   O    O  N N 142 
GLN   CB   C  N N 143 
GLN   CG   C  N N 144 
GLN   CD   C  N N 145 
GLN   OE1  O  N N 146 
GLN   NE2  N  N N 147 
GLN   OXT  O  N N 148 
GLN   H    H  N N 149 
GLN   H2   H  N N 150 
GLN   HA   H  N N 151 
GLN   HB2  H  N N 152 
GLN   HB3  H  N N 153 
GLN   HG2  H  N N 154 
GLN   HG3  H  N N 155 
GLN   HE21 H  N N 156 
GLN   HE22 H  N N 157 
GLN   HXT  H  N N 158 
GLU   N    N  N N 159 
GLU   CA   C  N S 160 
GLU   C    C  N N 161 
GLU   O    O  N N 162 
GLU   CB   C  N N 163 
GLU   CG   C  N N 164 
GLU   CD   C  N N 165 
GLU   OE1  O  N N 166 
GLU   OE2  O  N N 167 
GLU   OXT  O  N N 168 
GLU   H    H  N N 169 
GLU   H2   H  N N 170 
GLU   HA   H  N N 171 
GLU   HB2  H  N N 172 
GLU   HB3  H  N N 173 
GLU   HG2  H  N N 174 
GLU   HG3  H  N N 175 
GLU   HE2  H  N N 176 
GLU   HXT  H  N N 177 
GLY   N    N  N N 178 
GLY   CA   C  N N 179 
GLY   C    C  N N 180 
GLY   O    O  N N 181 
GLY   OXT  O  N N 182 
GLY   H    H  N N 183 
GLY   H2   H  N N 184 
GLY   HA2  H  N N 185 
GLY   HA3  H  N N 186 
GLY   HXT  H  N N 187 
HIS   N    N  N N 188 
HIS   CA   C  N S 189 
HIS   C    C  N N 190 
HIS   O    O  N N 191 
HIS   CB   C  N N 192 
HIS   CG   C  Y N 193 
HIS   ND1  N  Y N 194 
HIS   CD2  C  Y N 195 
HIS   CE1  C  Y N 196 
HIS   NE2  N  Y N 197 
HIS   OXT  O  N N 198 
HIS   H    H  N N 199 
HIS   H2   H  N N 200 
HIS   HA   H  N N 201 
HIS   HB2  H  N N 202 
HIS   HB3  H  N N 203 
HIS   HD1  H  N N 204 
HIS   HD2  H  N N 205 
HIS   HE1  H  N N 206 
HIS   HE2  H  N N 207 
HIS   HXT  H  N N 208 
HOH   O    O  N N 209 
HOH   H1   H  N N 210 
HOH   H2   H  N N 211 
ILE   N    N  N N 212 
ILE   CA   C  N S 213 
ILE   C    C  N N 214 
ILE   O    O  N N 215 
ILE   CB   C  N S 216 
ILE   CG1  C  N N 217 
ILE   CG2  C  N N 218 
ILE   CD1  C  N N 219 
ILE   OXT  O  N N 220 
ILE   H    H  N N 221 
ILE   H2   H  N N 222 
ILE   HA   H  N N 223 
ILE   HB   H  N N 224 
ILE   HG12 H  N N 225 
ILE   HG13 H  N N 226 
ILE   HG21 H  N N 227 
ILE   HG22 H  N N 228 
ILE   HG23 H  N N 229 
ILE   HD11 H  N N 230 
ILE   HD12 H  N N 231 
ILE   HD13 H  N N 232 
ILE   HXT  H  N N 233 
LEU   N    N  N N 234 
LEU   CA   C  N S 235 
LEU   C    C  N N 236 
LEU   O    O  N N 237 
LEU   CB   C  N N 238 
LEU   CG   C  N N 239 
LEU   CD1  C  N N 240 
LEU   CD2  C  N N 241 
LEU   OXT  O  N N 242 
LEU   H    H  N N 243 
LEU   H2   H  N N 244 
LEU   HA   H  N N 245 
LEU   HB2  H  N N 246 
LEU   HB3  H  N N 247 
LEU   HG   H  N N 248 
LEU   HD11 H  N N 249 
LEU   HD12 H  N N 250 
LEU   HD13 H  N N 251 
LEU   HD21 H  N N 252 
LEU   HD22 H  N N 253 
LEU   HD23 H  N N 254 
LEU   HXT  H  N N 255 
LYS   N    N  N N 256 
LYS   CA   C  N S 257 
LYS   C    C  N N 258 
LYS   O    O  N N 259 
LYS   CB   C  N N 260 
LYS   CG   C  N N 261 
LYS   CD   C  N N 262 
LYS   CE   C  N N 263 
LYS   NZ   N  N N 264 
LYS   OXT  O  N N 265 
LYS   H    H  N N 266 
LYS   H2   H  N N 267 
LYS   HA   H  N N 268 
LYS   HB2  H  N N 269 
LYS   HB3  H  N N 270 
LYS   HG2  H  N N 271 
LYS   HG3  H  N N 272 
LYS   HD2  H  N N 273 
LYS   HD3  H  N N 274 
LYS   HE2  H  N N 275 
LYS   HE3  H  N N 276 
LYS   HZ1  H  N N 277 
LYS   HZ2  H  N N 278 
LYS   HZ3  H  N N 279 
LYS   HXT  H  N N 280 
MET   N    N  N N 281 
MET   CA   C  N S 282 
MET   C    C  N N 283 
MET   O    O  N N 284 
MET   CB   C  N N 285 
MET   CG   C  N N 286 
MET   SD   S  N N 287 
MET   CE   C  N N 288 
MET   OXT  O  N N 289 
MET   H    H  N N 290 
MET   H2   H  N N 291 
MET   HA   H  N N 292 
MET   HB2  H  N N 293 
MET   HB3  H  N N 294 
MET   HG2  H  N N 295 
MET   HG3  H  N N 296 
MET   HE1  H  N N 297 
MET   HE2  H  N N 298 
MET   HE3  H  N N 299 
MET   HXT  H  N N 300 
PHE   N    N  N N 301 
PHE   CA   C  N S 302 
PHE   C    C  N N 303 
PHE   O    O  N N 304 
PHE   CB   C  N N 305 
PHE   CG   C  Y N 306 
PHE   CD1  C  Y N 307 
PHE   CD2  C  Y N 308 
PHE   CE1  C  Y N 309 
PHE   CE2  C  Y N 310 
PHE   CZ   C  Y N 311 
PHE   OXT  O  N N 312 
PHE   H    H  N N 313 
PHE   H2   H  N N 314 
PHE   HA   H  N N 315 
PHE   HB2  H  N N 316 
PHE   HB3  H  N N 317 
PHE   HD1  H  N N 318 
PHE   HD2  H  N N 319 
PHE   HE1  H  N N 320 
PHE   HE2  H  N N 321 
PHE   HZ   H  N N 322 
PHE   HXT  H  N N 323 
PRO   N    N  N N 324 
PRO   CA   C  N S 325 
PRO   C    C  N N 326 
PRO   O    O  N N 327 
PRO   CB   C  N N 328 
PRO   CG   C  N N 329 
PRO   CD   C  N N 330 
PRO   OXT  O  N N 331 
PRO   H    H  N N 332 
PRO   HA   H  N N 333 
PRO   HB2  H  N N 334 
PRO   HB3  H  N N 335 
PRO   HG2  H  N N 336 
PRO   HG3  H  N N 337 
PRO   HD2  H  N N 338 
PRO   HD3  H  N N 339 
PRO   HXT  H  N N 340 
SER   N    N  N N 341 
SER   CA   C  N S 342 
SER   C    C  N N 343 
SER   O    O  N N 344 
SER   CB   C  N N 345 
SER   OG   O  N N 346 
SER   OXT  O  N N 347 
SER   H    H  N N 348 
SER   H2   H  N N 349 
SER   HA   H  N N 350 
SER   HB2  H  N N 351 
SER   HB3  H  N N 352 
SER   HG   H  N N 353 
SER   HXT  H  N N 354 
SO4   S    S  N N 355 
SO4   O1   O  N N 356 
SO4   O2   O  N N 357 
SO4   O3   O  N N 358 
SO4   O4   O  N N 359 
THR   N    N  N N 360 
THR   CA   C  N S 361 
THR   C    C  N N 362 
THR   O    O  N N 363 
THR   CB   C  N R 364 
THR   OG1  O  N N 365 
THR   CG2  C  N N 366 
THR   OXT  O  N N 367 
THR   H    H  N N 368 
THR   H2   H  N N 369 
THR   HA   H  N N 370 
THR   HB   H  N N 371 
THR   HG1  H  N N 372 
THR   HG21 H  N N 373 
THR   HG22 H  N N 374 
THR   HG23 H  N N 375 
THR   HXT  H  N N 376 
TYR   N    N  N N 377 
TYR   CA   C  N S 378 
TYR   C    C  N N 379 
TYR   O    O  N N 380 
TYR   CB   C  N N 381 
TYR   CG   C  Y N 382 
TYR   CD1  C  Y N 383 
TYR   CD2  C  Y N 384 
TYR   CE1  C  Y N 385 
TYR   CE2  C  Y N 386 
TYR   CZ   C  Y N 387 
TYR   OH   O  N N 388 
TYR   OXT  O  N N 389 
TYR   H    H  N N 390 
TYR   H2   H  N N 391 
TYR   HA   H  N N 392 
TYR   HB2  H  N N 393 
TYR   HB3  H  N N 394 
TYR   HD1  H  N N 395 
TYR   HD2  H  N N 396 
TYR   HE1  H  N N 397 
TYR   HE2  H  N N 398 
TYR   HH   H  N N 399 
TYR   HXT  H  N N 400 
VAL   N    N  N N 401 
VAL   CA   C  N S 402 
VAL   C    C  N N 403 
VAL   O    O  N N 404 
VAL   CB   C  N N 405 
VAL   CG1  C  N N 406 
VAL   CG2  C  N N 407 
VAL   OXT  O  N N 408 
VAL   H    H  N N 409 
VAL   H2   H  N N 410 
VAL   HA   H  N N 411 
VAL   HB   H  N N 412 
VAL   HG11 H  N N 413 
VAL   HG12 H  N N 414 
VAL   HG13 H  N N 415 
VAL   HG21 H  N N 416 
VAL   HG22 H  N N 417 
VAL   HG23 H  N N 418 
VAL   HXT  H  N N 419 
# 
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 
A1IHW RU1 RU2  sing N N 1   
A1IHW RU2 O6   sing N N 2   
A1IHW RU1 O1   sing N N 3   
A1IHW RU2 O2   sing N N 4   
A1IHW RU1 O5   sing N N 5   
A1IHW RU1 O3   sing N N 6   
A1IHW RU2 O4   sing N N 7   
A1IHW RU2 N2   sing N N 8   
A1IHW RU1 N1   sing N N 9   
A1IHW N2  C7   sing N N 10  
A1IHW N1  C7   sing N N 11  
A1IHW O6  C5   sing N N 12  
A1IHW O5  C5   sing N N 13  
A1IHW C9  C10  sing Y N 14  
A1IHW N2  C15  sing N N 15  
A1IHW C1  C2   sing N N 16  
A1IHW C20 C15  sing Y N 17  
A1IHW N1  C8   sing N N 18  
A1IHW C9  C8   doub Y N 19  
A1IHW C5  C6   sing N N 20  
A1IHW C8  C13  sing Y N 21  
A1IHW C15 C16  doub Y N 22  
A1IHW C16 C17  sing Y N 23  
A1IHW C10 C11  doub Y N 24  
A1IHW N3  C14  trip N N 25  
A1IHW C11 C14  sing N N 26  
A1IHW C13 C12  doub Y N 27  
A1IHW C11 C12  sing Y N 28  
A1IHW C17 C18  doub Y N 29  
A1IHW C20 C19  doub Y N 30  
A1IHW C18 C19  sing Y N 31  
A1IHW N4  C21  trip N N 32  
A1IHW C18 C21  sing N N 33  
A1IHW C1  H5   sing N N 34  
A1IHW C7  H8   sing N N 35  
A1IHW C7  H9   sing N N 36  
A1IHW C5  H10  sing N N 37  
A1IHW C2  H11  sing N N 38  
A1IHW C2  H12  sing N N 39  
A1IHW C2  H13  sing N N 40  
A1IHW C20 H14  sing N N 41  
A1IHW C9  H15  sing N N 42  
A1IHW C10 H16  sing N N 43  
A1IHW C6  H17  sing N N 44  
A1IHW C6  H18  sing N N 45  
A1IHW C6  H19  sing N N 46  
A1IHW C13 H20  sing N N 47  
A1IHW C16 H21  sing N N 48  
A1IHW C17 H22  sing N N 49  
A1IHW C12 H23  sing N N 50  
A1IHW C19 H24  sing N N 51  
A1IHW O1  C1   sing N N 52  
A1IHW O2  C1   sing N N 53  
A1IHW O4  H1   sing N N 54  
A1IHW O3  H2   sing N N 55  
ALA   N   CA   sing N N 56  
ALA   N   H    sing N N 57  
ALA   N   H2   sing N N 58  
ALA   CA  C    sing N N 59  
ALA   CA  CB   sing N N 60  
ALA   CA  HA   sing N N 61  
ALA   C   O    doub N N 62  
ALA   C   OXT  sing N N 63  
ALA   CB  HB1  sing N N 64  
ALA   CB  HB2  sing N N 65  
ALA   CB  HB3  sing N N 66  
ALA   OXT HXT  sing N N 67  
ARG   N   CA   sing N N 68  
ARG   N   H    sing N N 69  
ARG   N   H2   sing N N 70  
ARG   CA  C    sing N N 71  
ARG   CA  CB   sing N N 72  
ARG   CA  HA   sing N N 73  
ARG   C   O    doub N N 74  
ARG   C   OXT  sing N N 75  
ARG   CB  CG   sing N N 76  
ARG   CB  HB2  sing N N 77  
ARG   CB  HB3  sing N N 78  
ARG   CG  CD   sing N N 79  
ARG   CG  HG2  sing N N 80  
ARG   CG  HG3  sing N N 81  
ARG   CD  NE   sing N N 82  
ARG   CD  HD2  sing N N 83  
ARG   CD  HD3  sing N N 84  
ARG   NE  CZ   sing N N 85  
ARG   NE  HE   sing N N 86  
ARG   CZ  NH1  sing N N 87  
ARG   CZ  NH2  doub N N 88  
ARG   NH1 HH11 sing N N 89  
ARG   NH1 HH12 sing N N 90  
ARG   NH2 HH21 sing N N 91  
ARG   NH2 HH22 sing N N 92  
ARG   OXT HXT  sing N N 93  
ASN   N   CA   sing N N 94  
ASN   N   H    sing N N 95  
ASN   N   H2   sing N N 96  
ASN   CA  C    sing N N 97  
ASN   CA  CB   sing N N 98  
ASN   CA  HA   sing N N 99  
ASN   C   O    doub N N 100 
ASN   C   OXT  sing N N 101 
ASN   CB  CG   sing N N 102 
ASN   CB  HB2  sing N N 103 
ASN   CB  HB3  sing N N 104 
ASN   CG  OD1  doub N N 105 
ASN   CG  ND2  sing N N 106 
ASN   ND2 HD21 sing N N 107 
ASN   ND2 HD22 sing N N 108 
ASN   OXT HXT  sing N N 109 
ASP   N   CA   sing N N 110 
ASP   N   H    sing N N 111 
ASP   N   H2   sing N N 112 
ASP   CA  C    sing N N 113 
ASP   CA  CB   sing N N 114 
ASP   CA  HA   sing N N 115 
ASP   C   O    doub N N 116 
ASP   C   OXT  sing N N 117 
ASP   CB  CG   sing N N 118 
ASP   CB  HB2  sing N N 119 
ASP   CB  HB3  sing N N 120 
ASP   CG  OD1  doub N N 121 
ASP   CG  OD2  sing N N 122 
ASP   OD2 HD2  sing N N 123 
ASP   OXT HXT  sing N N 124 
CYS   N   CA   sing N N 125 
CYS   N   H    sing N N 126 
CYS   N   H2   sing N N 127 
CYS   CA  C    sing N N 128 
CYS   CA  CB   sing N N 129 
CYS   CA  HA   sing N N 130 
CYS   C   O    doub N N 131 
CYS   C   OXT  sing N N 132 
CYS   CB  SG   sing N N 133 
CYS   CB  HB2  sing N N 134 
CYS   CB  HB3  sing N N 135 
CYS   SG  HG   sing N N 136 
CYS   OXT HXT  sing N N 137 
GLN   N   CA   sing N N 138 
GLN   N   H    sing N N 139 
GLN   N   H2   sing N N 140 
GLN   CA  C    sing N N 141 
GLN   CA  CB   sing N N 142 
GLN   CA  HA   sing N N 143 
GLN   C   O    doub N N 144 
GLN   C   OXT  sing N N 145 
GLN   CB  CG   sing N N 146 
GLN   CB  HB2  sing N N 147 
GLN   CB  HB3  sing N N 148 
GLN   CG  CD   sing N N 149 
GLN   CG  HG2  sing N N 150 
GLN   CG  HG3  sing N N 151 
GLN   CD  OE1  doub N N 152 
GLN   CD  NE2  sing N N 153 
GLN   NE2 HE21 sing N N 154 
GLN   NE2 HE22 sing N N 155 
GLN   OXT HXT  sing N N 156 
GLU   N   CA   sing N N 157 
GLU   N   H    sing N N 158 
GLU   N   H2   sing N N 159 
GLU   CA  C    sing N N 160 
GLU   CA  CB   sing N N 161 
GLU   CA  HA   sing N N 162 
GLU   C   O    doub N N 163 
GLU   C   OXT  sing N N 164 
GLU   CB  CG   sing N N 165 
GLU   CB  HB2  sing N N 166 
GLU   CB  HB3  sing N N 167 
GLU   CG  CD   sing N N 168 
GLU   CG  HG2  sing N N 169 
GLU   CG  HG3  sing N N 170 
GLU   CD  OE1  doub N N 171 
GLU   CD  OE2  sing N N 172 
GLU   OE2 HE2  sing N N 173 
GLU   OXT HXT  sing N N 174 
GLY   N   CA   sing N N 175 
GLY   N   H    sing N N 176 
GLY   N   H2   sing N N 177 
GLY   CA  C    sing N N 178 
GLY   CA  HA2  sing N N 179 
GLY   CA  HA3  sing N N 180 
GLY   C   O    doub N N 181 
GLY   C   OXT  sing N N 182 
GLY   OXT HXT  sing N N 183 
HIS   N   CA   sing N N 184 
HIS   N   H    sing N N 185 
HIS   N   H2   sing N N 186 
HIS   CA  C    sing N N 187 
HIS   CA  CB   sing N N 188 
HIS   CA  HA   sing N N 189 
HIS   C   O    doub N N 190 
HIS   C   OXT  sing N N 191 
HIS   CB  CG   sing N N 192 
HIS   CB  HB2  sing N N 193 
HIS   CB  HB3  sing N N 194 
HIS   CG  ND1  sing Y N 195 
HIS   CG  CD2  doub Y N 196 
HIS   ND1 CE1  doub Y N 197 
HIS   ND1 HD1  sing N N 198 
HIS   CD2 NE2  sing Y N 199 
HIS   CD2 HD2  sing N N 200 
HIS   CE1 NE2  sing Y N 201 
HIS   CE1 HE1  sing N N 202 
HIS   NE2 HE2  sing N N 203 
HIS   OXT HXT  sing N N 204 
HOH   O   H1   sing N N 205 
HOH   O   H2   sing N N 206 
ILE   N   CA   sing N N 207 
ILE   N   H    sing N N 208 
ILE   N   H2   sing N N 209 
ILE   CA  C    sing N N 210 
ILE   CA  CB   sing N N 211 
ILE   CA  HA   sing N N 212 
ILE   C   O    doub N N 213 
ILE   C   OXT  sing N N 214 
ILE   CB  CG1  sing N N 215 
ILE   CB  CG2  sing N N 216 
ILE   CB  HB   sing N N 217 
ILE   CG1 CD1  sing N N 218 
ILE   CG1 HG12 sing N N 219 
ILE   CG1 HG13 sing N N 220 
ILE   CG2 HG21 sing N N 221 
ILE   CG2 HG22 sing N N 222 
ILE   CG2 HG23 sing N N 223 
ILE   CD1 HD11 sing N N 224 
ILE   CD1 HD12 sing N N 225 
ILE   CD1 HD13 sing N N 226 
ILE   OXT HXT  sing N N 227 
LEU   N   CA   sing N N 228 
LEU   N   H    sing N N 229 
LEU   N   H2   sing N N 230 
LEU   CA  C    sing N N 231 
LEU   CA  CB   sing N N 232 
LEU   CA  HA   sing N N 233 
LEU   C   O    doub N N 234 
LEU   C   OXT  sing N N 235 
LEU   CB  CG   sing N N 236 
LEU   CB  HB2  sing N N 237 
LEU   CB  HB3  sing N N 238 
LEU   CG  CD1  sing N N 239 
LEU   CG  CD2  sing N N 240 
LEU   CG  HG   sing N N 241 
LEU   CD1 HD11 sing N N 242 
LEU   CD1 HD12 sing N N 243 
LEU   CD1 HD13 sing N N 244 
LEU   CD2 HD21 sing N N 245 
LEU   CD2 HD22 sing N N 246 
LEU   CD2 HD23 sing N N 247 
LEU   OXT HXT  sing N N 248 
LYS   N   CA   sing N N 249 
LYS   N   H    sing N N 250 
LYS   N   H2   sing N N 251 
LYS   CA  C    sing N N 252 
LYS   CA  CB   sing N N 253 
LYS   CA  HA   sing N N 254 
LYS   C   O    doub N N 255 
LYS   C   OXT  sing N N 256 
LYS   CB  CG   sing N N 257 
LYS   CB  HB2  sing N N 258 
LYS   CB  HB3  sing N N 259 
LYS   CG  CD   sing N N 260 
LYS   CG  HG2  sing N N 261 
LYS   CG  HG3  sing N N 262 
LYS   CD  CE   sing N N 263 
LYS   CD  HD2  sing N N 264 
LYS   CD  HD3  sing N N 265 
LYS   CE  NZ   sing N N 266 
LYS   CE  HE2  sing N N 267 
LYS   CE  HE3  sing N N 268 
LYS   NZ  HZ1  sing N N 269 
LYS   NZ  HZ2  sing N N 270 
LYS   NZ  HZ3  sing N N 271 
LYS   OXT HXT  sing N N 272 
MET   N   CA   sing N N 273 
MET   N   H    sing N N 274 
MET   N   H2   sing N N 275 
MET   CA  C    sing N N 276 
MET   CA  CB   sing N N 277 
MET   CA  HA   sing N N 278 
MET   C   O    doub N N 279 
MET   C   OXT  sing N N 280 
MET   CB  CG   sing N N 281 
MET   CB  HB2  sing N N 282 
MET   CB  HB3  sing N N 283 
MET   CG  SD   sing N N 284 
MET   CG  HG2  sing N N 285 
MET   CG  HG3  sing N N 286 
MET   SD  CE   sing N N 287 
MET   CE  HE1  sing N N 288 
MET   CE  HE2  sing N N 289 
MET   CE  HE3  sing N N 290 
MET   OXT HXT  sing N N 291 
PHE   N   CA   sing N N 292 
PHE   N   H    sing N N 293 
PHE   N   H2   sing N N 294 
PHE   CA  C    sing N N 295 
PHE   CA  CB   sing N N 296 
PHE   CA  HA   sing N N 297 
PHE   C   O    doub N N 298 
PHE   C   OXT  sing N N 299 
PHE   CB  CG   sing N N 300 
PHE   CB  HB2  sing N N 301 
PHE   CB  HB3  sing N N 302 
PHE   CG  CD1  doub Y N 303 
PHE   CG  CD2  sing Y N 304 
PHE   CD1 CE1  sing Y N 305 
PHE   CD1 HD1  sing N N 306 
PHE   CD2 CE2  doub Y N 307 
PHE   CD2 HD2  sing N N 308 
PHE   CE1 CZ   doub Y N 309 
PHE   CE1 HE1  sing N N 310 
PHE   CE2 CZ   sing Y N 311 
PHE   CE2 HE2  sing N N 312 
PHE   CZ  HZ   sing N N 313 
PHE   OXT HXT  sing N N 314 
PRO   N   CA   sing N N 315 
PRO   N   CD   sing N N 316 
PRO   N   H    sing N N 317 
PRO   CA  C    sing N N 318 
PRO   CA  CB   sing N N 319 
PRO   CA  HA   sing N N 320 
PRO   C   O    doub N N 321 
PRO   C   OXT  sing N N 322 
PRO   CB  CG   sing N N 323 
PRO   CB  HB2  sing N N 324 
PRO   CB  HB3  sing N N 325 
PRO   CG  CD   sing N N 326 
PRO   CG  HG2  sing N N 327 
PRO   CG  HG3  sing N N 328 
PRO   CD  HD2  sing N N 329 
PRO   CD  HD3  sing N N 330 
PRO   OXT HXT  sing N N 331 
SER   N   CA   sing N N 332 
SER   N   H    sing N N 333 
SER   N   H2   sing N N 334 
SER   CA  C    sing N N 335 
SER   CA  CB   sing N N 336 
SER   CA  HA   sing N N 337 
SER   C   O    doub N N 338 
SER   C   OXT  sing N N 339 
SER   CB  OG   sing N N 340 
SER   CB  HB2  sing N N 341 
SER   CB  HB3  sing N N 342 
SER   OG  HG   sing N N 343 
SER   OXT HXT  sing N N 344 
SO4   S   O1   doub N N 345 
SO4   S   O2   doub N N 346 
SO4   S   O3   sing N N 347 
SO4   S   O4   sing N N 348 
THR   N   CA   sing N N 349 
THR   N   H    sing N N 350 
THR   N   H2   sing N N 351 
THR   CA  C    sing N N 352 
THR   CA  CB   sing N N 353 
THR   CA  HA   sing N N 354 
THR   C   O    doub N N 355 
THR   C   OXT  sing N N 356 
THR   CB  OG1  sing N N 357 
THR   CB  CG2  sing N N 358 
THR   CB  HB   sing N N 359 
THR   OG1 HG1  sing N N 360 
THR   CG2 HG21 sing N N 361 
THR   CG2 HG22 sing N N 362 
THR   CG2 HG23 sing N N 363 
THR   OXT HXT  sing N N 364 
TYR   N   CA   sing N N 365 
TYR   N   H    sing N N 366 
TYR   N   H2   sing N N 367 
TYR   CA  C    sing N N 368 
TYR   CA  CB   sing N N 369 
TYR   CA  HA   sing N N 370 
TYR   C   O    doub N N 371 
TYR   C   OXT  sing N N 372 
TYR   CB  CG   sing N N 373 
TYR   CB  HB2  sing N N 374 
TYR   CB  HB3  sing N N 375 
TYR   CG  CD1  doub Y N 376 
TYR   CG  CD2  sing Y N 377 
TYR   CD1 CE1  sing Y N 378 
TYR   CD1 HD1  sing N N 379 
TYR   CD2 CE2  doub Y N 380 
TYR   CD2 HD2  sing N N 381 
TYR   CE1 CZ   doub Y N 382 
TYR   CE1 HE1  sing N N 383 
TYR   CE2 CZ   sing Y N 384 
TYR   CE2 HE2  sing N N 385 
TYR   CZ  OH   sing N N 386 
TYR   OH  HH   sing N N 387 
TYR   OXT HXT  sing N N 388 
VAL   N   CA   sing N N 389 
VAL   N   H    sing N N 390 
VAL   N   H2   sing N N 391 
VAL   CA  C    sing N N 392 
VAL   CA  CB   sing N N 393 
VAL   CA  HA   sing N N 394 
VAL   C   O    doub N N 395 
VAL   C   OXT  sing N N 396 
VAL   CB  CG1  sing N N 397 
VAL   CB  CG2  sing N N 398 
VAL   CB  HB   sing N N 399 
VAL   CG1 HG11 sing N N 400 
VAL   CG1 HG12 sing N N 401 
VAL   CG1 HG13 sing N N 402 
VAL   CG2 HG21 sing N N 403 
VAL   CG2 HG22 sing N N 404 
VAL   CG2 HG23 sing N N 405 
VAL   OXT HXT  sing N N 406 
# 
_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   1JVT 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9FYW 
_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]   0.009938 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000050 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.030544 
_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]   0.013841 
_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   
RU 44 44 19.2695 0.8085  12.9196 8.4347  4.8639 24.7997 1.5677 94.2928 4.6906   
S  16 16 6.9054  1.4679  5.2035  22.2151 1.4379 0.2536  1.5863 56.1720 1.0555   
# 
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   . LYS   A 1 27  ? -13.430 -3.847 24.999  1.000 52.231  0 1   LYS   A N   1 ? 
ATOM   2    C  CA  . LYS   A 1 27  ? -14.792 -4.432 25.128  1.000 49.306  0 1   LYS   A CA  1 ? 
ATOM   3    C  C   . LYS   A 1 27  ? -15.827 -3.354 25.476  1.000 42.732  0 1   LYS   A C   1 ? 
ATOM   4    O  O   . LYS   A 1 27  ? -17.020 -3.584 25.242  1.000 37.945  0 1   LYS   A O   1 ? 
ATOM   5    C  CB  . LYS   A 1 27  ? -14.801 -5.581 26.143  1.000 52.525  0 1   LYS   A CB  1 ? 
ATOM   6    N  N   . GLU   A 1 28  ? -15.379 -2.243 26.110  1.000 35.338  0 2   GLU   A N   1 ? 
ATOM   7    C  CA  . GLU   A 1 28  ? -16.060 -0.946 26.061  1.000 31.436  0 2   GLU   A CA  1 ? 
ATOM   8    C  C   . GLU   A 1 28  ? -16.047 -0.439 24.614  1.000 23.421  0 2   GLU   A C   1 ? 
ATOM   9    O  O   . GLU   A 1 28  ? -14.989 -0.124 24.078  1.000 27.873  0 2   GLU   A O   1 ? 
ATOM   10   C  CB  . GLU   A 1 28  ? -15.387 0.116  26.941  1.000 32.416  0 2   GLU   A CB  1 ? 
ATOM   11   C  CG  . GLU   A 1 28  ? -16.092 1.473  26.938  1.000 29.567  0 2   GLU   A CG  1 ? 
ATOM   12   C  CD  . GLU   A 1 28  ? -15.544 2.615  27.794  1.000 23.152  0 2   GLU   A CD  1 ? 
ATOM   13   O  OE1 . GLU   A 1 28  ? -14.373 3.042  27.645  1.000 27.542  0 2   GLU   A OE1 1 ? 
ATOM   14   O  OE2 . GLU   A 1 28  ? -16.395 3.167  28.536  1.000 27.678  0 2   GLU   A OE2 1 ? 
ATOM   15   N  N   . THR   A 1 29  ? -17.235 -0.343 24.028  1.000 23.490  0 3   THR   A N   1 ? 
ATOM   16   C  CA  . THR   A 1 29  ? -17.384 0.129  22.659  1.000 23.249  0 3   THR   A CA  1 ? 
ATOM   17   C  C   . THR   A 1 29  ? -17.158 1.637  22.660  1.000 20.564  0 3   THR   A C   1 ? 
ATOM   18   O  O   . THR   A 1 29  ? -17.231 2.304  23.692  1.000 18.791  0 3   THR   A O   1 ? 
ATOM   19   C  CB  . THR   A 1 29  ? -18.758 -0.222 22.082  1.000 23.813  0 3   THR   A CB  1 ? 
ATOM   20   O  OG1 . THR   A 1 29  ? -19.726 0.529  22.817  1.000 22.426  0 3   THR   A OG1 1 ? 
ATOM   21   C  CG2 . THR   A 1 29  ? -19.077 -1.716 22.110  1.000 26.403  0 3   THR   A CG2 1 ? 
ATOM   22   N  N   . ALA   A 1 30  ? -16.910 2.174  21.468  1.000 20.131  0 4   ALA   A N   1 ? 
ATOM   23   C  CA  . ALA   A 1 30  ? -16.798 3.616  21.281  1.000 19.778  0 4   ALA   A CA  1 ? 
ATOM   24   C  C   . ALA   A 1 30  ? -18.075 4.301  21.757  1.000 16.932  0 4   ALA   A C   1 ? 
ATOM   25   O  O   . ALA   A 1 30  ? -18.023 5.415  22.325  1.000 16.266  0 4   ALA   A O   1 ? 
ATOM   26   C  CB  . ALA   A 1 30  ? -16.512 3.897  19.809  1.000 18.910  0 4   ALA   A CB  1 ? 
ATOM   27   N  N   . ALA   A 1 31  ? -19.231 3.718  21.422  1.000 15.674  0 5   ALA   A N   1 ? 
ATOM   28   C  CA  . ALA   A 1 31  ? -20.525 4.295  21.782  1.000 15.522  0 5   ALA   A CA  1 ? 
ATOM   29   C  C   . ALA   A 1 31  ? -20.622 4.376  23.311  1.000 15.907  0 5   ALA   A C   1 ? 
ATOM   30   O  O   . ALA   A 1 31  ? -21.011 5.391  23.869  1.000 14.637  0 5   ALA   A O   1 ? 
ATOM   31   C  CB  . ALA   A 1 31  ? -21.673 3.525  21.188  1.000 18.528  0 5   ALA   A CB  1 ? 
ATOM   32   N  N   . ALA   A 1 32  ? -20.188 3.301  23.991  1.000 17.045  0 6   ALA   A N   1 ? 
ATOM   33   C  CA  . ALA   A 1 32  ? -20.231 3.312  25.445  1.000 18.592  0 6   ALA   A CA  1 ? 
ATOM   34   C  C   . ALA   A 1 32  ? -19.258 4.314  26.048  1.000 16.306  0 6   ALA   A C   1 ? 
ATOM   35   O  O   . ALA   A 1 32  ? -19.576 4.982  27.036  1.000 17.784  0 6   ALA   A O   1 ? 
ATOM   36   C  CB  . ALA   A 1 32  ? -19.950 1.915  25.978  1.000 21.532  0 6   ALA   A CB  1 ? 
ATOM   37   N  N   . LYS   A 1 33  ? -18.085 4.413  25.471  1.000 17.641  0 7   LYS   A N   1 ? 
ATOM   38   C  CA  . LYS   A 1 33  ? -17.088 5.377  25.885  1.000 16.631  0 7   LYS   A CA  1 ? 
ATOM   39   C  C   . LYS   A 1 33  ? -17.647 6.790  25.759  1.000 16.870  0 7   LYS   A C   1 ? 
ATOM   40   O  O   . LYS   A 1 33  ? -17.518 7.580  26.670  1.000 15.323  0 7   LYS   A O   1 ? 
ATOM   41   C  CB  . LYS   A 1 33  ? -15.779 5.216  25.121  1.000 18.648  0 7   LYS   A CB  1 ? 
ATOM   42   C  CG  . LYS   A 1 33  ? -14.702 6.135  25.602  1.000 20.275  0 7   LYS   A CG  1 ? 
ATOM   43   C  CD  . LYS   A 1 33  ? -13.378 5.955  24.885  1.000 24.818  0 7   LYS   A CD  1 ? 
ATOM   44   C  CE  . LYS   A 1 33  ? -12.297 6.711  25.528  1.000 27.636  0 7   LYS   A CE  1 ? 
ATOM   45   N  NZ  . LYS   A 1 33  ? -11.032 6.446  24.841  1.000 31.606  0 7   LYS   A NZ  1 ? 
ATOM   46   N  N   . PHE   A 1 34  ? -18.367 7.097  24.659  1.000 14.389  0 8   PHE   A N   1 ? 
ATOM   47   C  CA  . PHE   A 1 34  ? -18.975 8.427  24.558  1.000 13.468  0 8   PHE   A CA  1 ? 
ATOM   48   C  C   . PHE   A 1 34  ? -19.984 8.669  25.678  1.000 13.034  0 8   PHE   A C   1 ? 
ATOM   49   O  O   . PHE   A 1 34  ? -20.047 9.763  26.244  1.000 12.299  0 8   PHE   A O   1 ? 
ATOM   50   C  CB  . PHE   A 1 34  ? -19.656 8.570  23.178  1.000 12.743  0 8   PHE   A CB  1 ? 
ATOM   51   C  CG  . PHE   A 1 34  ? -20.441 9.860  22.988  1.000 11.625  0 8   PHE   A CG  1 ? 
ATOM   52   C  CD1 . PHE   A 1 34  ? -21.755 10.010 23.420  1.000 11.410  0 8   PHE   A CD1 1 ? 
ATOM   53   C  CD2 . PHE   A 1 34  ? -19.780 10.959 22.459  1.000 11.065  0 8   PHE   A CD2 1 ? 
ATOM   54   C  CE1 . PHE   A 1 34  ? -22.382 11.225 23.348  1.000 11.472  0 8   PHE   A CE1 1 ? 
ATOM   55   C  CE2 . PHE   A 1 34  ? -20.435 12.176 22.339  1.000 11.563  0 8   PHE   A CE2 1 ? 
ATOM   56   C  CZ  . PHE   A 1 34  ? -21.732 12.314 22.796  1.000 11.289  0 8   PHE   A CZ  1 ? 
ATOM   57   N  N   . GLU   A 1 35  ? -20.793 7.657  26.019  1.000 14.185  0 9   GLU   A N   1 ? 
ATOM   58   C  CA  . GLU   A 1 35  ? -21.778 7.808  27.087  1.000 14.098  0 9   GLU   A CA  1 ? 
ATOM   59   C  C   . GLU   A 1 35  ? -21.089 8.049  28.434  1.000 14.274  0 9   GLU   A C   1 ? 
ATOM   60   O  O   . GLU   A 1 35  ? -21.505 8.948  29.174  1.000 14.555  0 9   GLU   A O   1 ? 
ATOM   61   C  CB  . GLU   A 1 35  ? -22.661 6.554  27.121  1.000 16.728  0 9   GLU   A CB  1 ? 
ATOM   62   C  CG  . GLU   A 1 35  ? -23.594 6.472  25.907  1.000 18.069  0 9   GLU   A CG  1 ? 
ATOM   63   C  CD  . GLU   A 1 35  ? -24.606 5.340  25.989  1.000 25.561  0 9   GLU   A CD  1 ? 
ATOM   64   O  OE1 . GLU   A 1 35  ? -25.154 5.142  27.112  1.000 28.417  0 9   GLU   A OE1 1 ? 
ATOM   65   O  OE2 . GLU   A 1 35  ? -24.891 4.695  24.956  1.000 22.960  0 9   GLU   A OE2 1 ? 
ATOM   66   N  N   . ARG   A 1 36  ? -19.974 7.339  28.655  1.000 14.557  0 10  ARG   A N   1 ? 
ATOM   67   C  CA  . ARG   A 1 36  ? -19.222 7.507  29.902  1.000 15.483  0 10  ARG   A CA  1 ? 
ATOM   68   C  C   . ARG   A 1 36  ? -18.601 8.906  29.980  1.000 14.601  0 10  ARG   A C   1 ? 
ATOM   69   O  O   . ARG   A 1 36  ? -18.584 9.560  31.025  1.000 15.878  0 10  ARG   A O   1 ? 
ATOM   70   C  CB  . ARG   A 1 36  ? -18.191 6.397  30.061  1.000 16.910  0 10  ARG   A CB  1 ? 
ATOM   71   C  CG  . ARG   A 1 36  ? -17.238 6.650  31.224  1.000 18.545  0 10  ARG   A CG  1 ? 
ATOM   72   C  CD  . ARG   A 1 36  ? -16.366 5.454  31.454  1.000 19.399  0 10  ARG   A CD  1 ? 
ATOM   73   N  NE  . ARG   A 1 36  ? -15.419 5.153  30.380  1.000 21.024  0 10  ARG   A NE  1 ? 
ATOM   74   C  CZ  . ARG   A 1 36  ? -14.290 5.754  30.095  1.000 20.263  0 10  ARG   A CZ  1 ? 
ATOM   75   N  NH1 . ARG   A 1 36  ? -13.830 6.770  30.804  1.000 22.493  0 10  ARG   A NH1 1 ? 
ATOM   76   N  NH2 . ARG   A 1 36  ? -13.575 5.328  29.073  1.000 24.509  0 10  ARG   A NH2 1 ? 
ATOM   77   N  N   . GLN   A 1 37  ? -18.004 9.370  28.881  1.000 14.100  0 11  GLN   A N   1 ? 
ATOM   78   C  CA  . GLN   A 1 37  ? -17.261 10.616 28.901  1.000 14.918  0 11  GLN   A CA  1 ? 
ATOM   79   C  C   . GLN   A 1 37  ? -18.158 11.839 28.801  1.000 14.427  0 11  GLN   A C   1 ? 
ATOM   80   O  O   . GLN   A 1 37  ? -17.712 12.914 29.162  1.000 15.189  0 11  GLN   A O   1 ? 
ATOM   81   C  CB  . GLN   A 1 37  ? -16.246 10.624 27.767  1.000 16.742  0 11  GLN   A CB  1 ? 
ATOM   82   C  CG  . GLN   A 1 37  ? -15.151 9.570  27.913  1.000 19.212  0 11  GLN   A CG  1 ? 
ATOM   83   C  CD  . GLN   A 1 37  ? -13.923 9.939  27.121  1.000 24.616  0 11  GLN   A CD  1 ? 
ATOM   84   O  OE1 . GLN   A 1 37  ? -12.892 10.345 27.667  1.000 32.232  0 11  GLN   A OE1 1 ? 
ATOM   85   N  NE2 . GLN   A 1 37  ? -14.043 9.887  25.810  1.000 23.150  0 11  GLN   A NE2 1 ? 
ATOM   86   N  N   . HIS   A 1 38  ? -19.345 11.722 28.178  1.000 13.057  0 12  HIS   A N   1 ? 
ATOM   87   C  CA  . HIS   A 1 38  ? -20.075 12.905 27.745  1.000 13.862  0 12  HIS   A CA  1 ? 
ATOM   88   C  C   . HIS   A 1 38  ? -21.566 12.954 28.122  1.000 12.869  0 12  HIS   A C   1 ? 
ATOM   89   O  O   . HIS   A 1 38  ? -22.141 14.005 27.887  1.000 16.379  0 12  HIS   A O   1 ? 
ATOM   90   C  CB  . HIS   A 1 38  ? -19.934 13.116 26.221  1.000 13.263  0 12  HIS   A CB  1 ? 
ATOM   91   C  CG  . HIS   A 1 38  ? -18.518 13.305 25.843  1.000 13.260  0 12  HIS   A CG  1 ? 
ATOM   92   N  ND1 . HIS   A 1 38  ? -17.731 14.368 26.249  1.000 13.042  0 12  HIS   A ND1 1 ? 
ATOM   93   C  CD2 . HIS   A 1 38  ? -17.709 12.552 25.074  1.000 12.388  0 12  HIS   A CD2 1 ? 
ATOM   94   C  CE1 . HIS   A 1 38  ? -16.527 14.237 25.733  1.000 14.392  0 12  HIS   A CE1 1 ? 
ATOM   95   N  NE2 . HIS   A 1 38  ? -16.489 13.115 25.042  1.000 12.348  0 12  HIS   A NE2 1 ? 
ATOM   96   N  N   . MET   A 1 39  ? -22.198 11.876 28.589  1.000 13.118  0 13  MET   A N   1 ? 
ATOM   97   C  CA  . MET   A 1 39  ? -23.612 11.921 28.901  1.000 15.874  0 13  MET   A CA  1 ? 
ATOM   98   C  C   . MET   A 1 39  ? -23.806 12.084 30.410  1.000 17.364  0 13  MET   A C   1 ? 
ATOM   99   O  O   . MET   A 1 39  ? -23.299 11.272 31.174  1.000 18.621  0 13  MET   A O   1 ? 
ATOM   100  C  CB  . MET   A 1 39  ? -24.351 10.666 28.447  1.000 16.069  0 13  MET   A CB  1 ? 
ATOM   101  C  CG  . MET   A 1 39  ? -24.485 10.494 26.901  1.000 15.693  0 13  MET   A CG  1 ? 
ATOM   102  S  SD  . MET   A 1 39  ? -25.355 11.873 26.128  1.000 16.982  0 13  MET   A SD  1 ? 
ATOM   103  C  CE  . MET   A 1 39  ? -26.928 11.784 26.988  1.000 17.356  0 13  MET   A CE  1 ? 
ATOM   104  N  N   . ASP   A 1 40  ? -24.624 13.038 30.797  1.000 16.404  0 14  ASP   A N   1 ? 
ATOM   105  C  CA  . ASP   A 1 40  ? -25.120 13.074 32.167  1.000 18.622  0 14  ASP   A CA  1 ? 
ATOM   106  C  C   . ASP   A 1 40  ? -26.556 13.584 32.160  1.000 16.806  0 14  ASP   A C   1 ? 
ATOM   107  O  O   . ASP   A 1 40  ? -26.871 14.738 32.506  1.000 18.064  0 14  ASP   A O   1 ? 
ATOM   108  C  CB  . ASP   A 1 40  ? -24.292 13.955 33.063  1.000 21.096  0 14  ASP   A CB  1 ? 
ATOM   109  C  CG  . ASP   A 1 40  ? -24.692 13.811 34.527  1.000 24.338  0 14  ASP   A CG  1 ? 
ATOM   110  O  OD1 . ASP   A 1 40  ? -25.393 12.834 34.823  1.000 26.451  0 14  ASP   A OD1 1 ? 
ATOM   111  O  OD2 . ASP   A 1 40  ? -24.332 14.677 35.297  1.000 25.941  0 14  ASP   A OD2 1 ? 
ATOM   112  N  N   . SER   A 1 41  ? -27.450 12.683 31.806  1.000 17.555  0 15  SER   A N   1 ? 
ATOM   113  C  CA  . SER   A 1 41  ? -28.859 13.015 31.705  1.000 19.857  0 15  SER   A CA  1 ? 
ATOM   114  C  C   . SER   A 1 41  ? -29.517 13.292 33.065  1.000 26.529  0 15  SER   A C   1 ? 
ATOM   115  O  O   . SER   A 1 41  ? -30.544 13.961 33.110  1.000 30.038  0 15  SER   A O   1 ? 
ATOM   116  C  CB  . SER   A 1 41  ? -29.597 11.911 30.978  1.000 20.455  0 15  SER   A CB  1 ? 
ATOM   117  O  OG  . SER   A 1 41  ? -29.015 11.522 29.751  1.000 21.403  0 15  SER   A OG  1 ? 
ATOM   118  N  N   A SER   A 1 42  ? -28.947 12.745 34.150  0.500 28.344  0 16  SER   A N   1 ? 
ATOM   119  N  N   B SER   A 1 42  ? -28.937 12.778 34.157  0.500 28.440  0 16  SER   A N   1 ? 
ATOM   120  C  CA  A SER   A 1 42  ? -29.516 12.860 35.491  0.500 34.088  0 16  SER   A CA  1 ? 
ATOM   121  C  CA  B SER   A 1 42  ? -29.557 12.860 35.476  0.500 34.222  0 16  SER   A CA  1 ? 
ATOM   122  C  C   A SER   A 1 42  ? -29.720 14.316 35.908  0.500 41.506  0 16  SER   A C   1 ? 
ATOM   123  C  C   B SER   A 1 42  ? -29.693 14.301 35.975  0.500 41.239  0 16  SER   A C   1 ? 
ATOM   124  O  O   A SER   A 1 42  ? -30.766 14.663 36.456  0.500 46.455  0 16  SER   A O   1 ? 
ATOM   125  O  O   B SER   A 1 42  ? -30.663 14.623 36.661  0.500 44.768  0 16  SER   A O   1 ? 
ATOM   126  C  CB  A SER   A 1 42  ? -28.653 12.147 36.507  0.500 33.235  0 16  SER   A CB  1 ? 
ATOM   127  C  CB  B SER   A 1 42  ? -28.802 12.030 36.479  0.500 34.084  0 16  SER   A CB  1 ? 
ATOM   128  O  OG  A SER   A 1 42  ? -28.727 10.741 36.334  0.500 32.025  0 16  SER   A OG  1 ? 
ATOM   129  O  OG  B SER   A 1 42  ? -29.457 12.089 37.736  0.500 33.190  0 16  SER   A OG  1 ? 
ATOM   130  N  N   . THR   A 1 43  ? -28.706 15.156 35.682  1.000 44.921  0 17  THR   A N   1 ? 
ATOM   131  C  CA  . THR   A 1 43  ? -28.791 16.560 36.059  1.000 52.847  0 17  THR   A CA  1 ? 
ATOM   132  C  C   . THR   A 1 43  ? -29.311 17.356 34.864  1.000 51.967  0 17  THR   A C   1 ? 
ATOM   133  O  O   . THR   A 1 43  ? -29.000 17.025 33.729  1.000 48.247  0 17  THR   A O   1 ? 
ATOM   134  C  CB  . THR   A 1 43  ? -27.448 17.083 36.576  1.000 54.877  0 17  THR   A CB  1 ? 
ATOM   135  O  OG1 . THR   A 1 43  ? -26.381 16.601 35.762  1.000 53.968  0 17  THR   A OG1 1 ? 
ATOM   136  C  CG2 . THR   A 1 43  ? -27.200 16.651 38.010  1.000 58.588  0 17  THR   A CG2 1 ? 
ATOM   137  N  N   . SER   A 1 44  ? -30.148 18.367 35.149  1.000 53.510  0 18  SER   A N   1 ? 
ATOM   138  C  CA  . SER   A 1 44  ? -30.649 19.287 34.141  1.000 52.438  0 18  SER   A CA  1 ? 
ATOM   139  C  C   . SER   A 1 44  ? -29.585 20.341 33.833  1.000 49.704  0 18  SER   A C   1 ? 
ATOM   140  O  O   . SER   A 1 44  ? -29.660 20.961 32.774  1.000 39.396  0 18  SER   A O   1 ? 
ATOM   141  C  CB  . SER   A 1 44  ? -31.956 19.944 34.576  1.000 56.061  0 18  SER   A CB  1 ? 
ATOM   142  O  OG  . SER   A 1 44  ? -32.963 18.986 34.886  1.000 57.512  0 18  SER   A OG  1 ? 
ATOM   143  N  N   . ALA   A 1 45  ? -28.633 20.533 34.775  1.000 51.131  0 19  ALA   A N   1 ? 
ATOM   144  C  CA  . ALA   A 1 45  ? -27.576 21.538 34.695  1.000 55.022  0 19  ALA   A CA  1 ? 
ATOM   145  C  C   . ALA   A 1 45  ? -26.397 21.160 35.605  1.000 60.534  0 19  ALA   A C   1 ? 
ATOM   146  O  O   . ALA   A 1 45  ? -26.412 20.113 36.251  1.000 73.767  0 19  ALA   A O   1 ? 
ATOM   147  C  CB  . ALA   A 1 45  ? -28.145 22.901 35.055  1.000 57.201  0 19  ALA   A CB  1 ? 
ATOM   148  N  N   . ALA   A 1 46  ? -25.372 22.025 35.658  1.000 59.694  0 20  ALA   A N   1 ? 
ATOM   149  C  CA  . ALA   A 1 46  ? -24.138 21.747 36.380  1.000 59.307  0 20  ALA   A CA  1 ? 
ATOM   150  C  C   . ALA   A 1 46  ? -24.397 21.829 37.878  1.000 63.491  0 20  ALA   A C   1 ? 
ATOM   151  O  O   . ALA   A 1 46  ? -24.293 22.906 38.469  1.000 53.835  0 20  ALA   A O   1 ? 
ATOM   152  C  CB  . ALA   A 1 46  ? -23.053 22.722 35.982  1.000 59.350  0 20  ALA   A CB  1 ? 
ATOM   153  N  N   . SER   A 1 47  ? -24.693 20.665 38.467  1.000 68.642  0 21  SER   A N   1 ? 
ATOM   154  C  CA  . SER   A 1 47  ? -25.149 20.570 39.844  1.000 70.824  0 21  SER   A CA  1 ? 
ATOM   155  C  C   . SER   A 1 47  ? -24.552 21.703 40.675  1.000 64.691  0 21  SER   A C   1 ? 
ATOM   156  O  O   . SER   A 1 47  ? -25.295 22.485 41.275  1.000 76.658  0 21  SER   A O   1 ? 
ATOM   157  C  CB  . SER   A 1 47  ? -24.837 19.205 40.444  1.000 70.312  0 21  SER   A CB  1 ? 
ATOM   158  O  OG  . SER   A 1 47  ? -23.526 19.116 40.992  1.000 63.831  0 21  SER   A OG  1 ? 
ATOM   159  N  N   . SER   A 1 48  ? -23.215 21.804 40.667  1.000 49.169  0 22  SER   A N   1 ? 
ATOM   160  C  CA  . SER   A 1 48  ? -22.518 22.670 41.605  1.000 38.179  0 22  SER   A CA  1 ? 
ATOM   161  C  C   . SER   A 1 48  ? -21.160 23.105 41.061  1.000 34.842  0 22  SER   A C   1 ? 
ATOM   162  O  O   . SER   A 1 48  ? -20.702 22.626 40.025  1.000 30.632  0 22  SER   A O   1 ? 
ATOM   163  C  CB  . SER   A 1 48  ? -22.356 21.984 42.941  1.000 37.898  0 22  SER   A CB  1 ? 
ATOM   164  O  OG  . SER   A 1 48  ? -21.405 20.931 42.897  1.000 35.498  0 22  SER   A OG  1 ? 
ATOM   165  N  N   A SER   A 1 49  ? -20.533 24.025 41.800  0.500 29.771  0 23  SER   A N   1 ? 
ATOM   166  N  N   B SER   A 1 49  ? -20.518 24.029 41.793  0.500 33.992  0 23  SER   A N   1 ? 
ATOM   167  C  CA  A SER   A 1 49  ? -19.181 24.477 41.523  0.500 25.894  0 23  SER   A CA  1 ? 
ATOM   168  C  CA  B SER   A 1 49  ? -19.163 24.479 41.505  0.500 32.154  0 23  SER   A CA  1 ? 
ATOM   169  C  C   A SER   A 1 49  ? -18.195 23.309 41.589  0.500 26.131  0 23  SER   A C   1 ? 
ATOM   170  C  C   B SER   A 1 49  ? -18.191 23.299 41.573  0.500 29.677  0 23  SER   A C   1 ? 
ATOM   171  O  O   A SER   A 1 49  ? -17.130 23.378 40.983  0.500 29.578  0 23  SER   A O   1 ? 
ATOM   172  O  O   B SER   A 1 49  ? -17.125 23.353 40.965  0.500 33.239  0 23  SER   A O   1 ? 
ATOM   173  C  CB  A SER   A 1 49  ? -18.801 25.615 42.461  0.500 24.525  0 23  SER   A CB  1 ? 
ATOM   174  C  CB  B SER   A 1 49  ? -18.747 25.614 42.449  0.500 34.209  0 23  SER   A CB  1 ? 
ATOM   175  O  OG  A SER   A 1 49  ? -19.086 25.310 43.818  0.500 16.892  0 23  SER   A OG  1 ? 
ATOM   176  O  OG  B SER   A 1 49  ? -17.656 26.382 41.939  0.500 29.636  0 23  SER   A OG  1 ? 
ATOM   177  N  N   . ASN   A 1 50  ? -18.588 22.226 42.271  1.000 30.874  0 24  ASN   A N   1 ? 
ATOM   178  C  CA  . ASN   A 1 50  ? -17.771 21.029 42.423  1.000 32.681  0 24  ASN   A CA  1 ? 
ATOM   179  C  C   . ASN   A 1 50  ? -18.041 19.973 41.345  1.000 28.538  0 24  ASN   A C   1 ? 
ATOM   180  O  O   . ASN   A 1 50  ? -17.404 18.926 41.379  1.000 25.000  0 24  ASN   A O   1 ? 
ATOM   181  C  CB  . ASN   A 1 50  ? -18.063 20.291 43.729  1.000 41.844  0 24  ASN   A CB  1 ? 
ATOM   182  C  CG  . ASN   A 1 50  ? -18.435 21.202 44.877  1.000 50.316  0 24  ASN   A CG  1 ? 
ATOM   183  O  OD1 . ASN   A 1 50  ? -18.196 22.416 44.820  1.000 64.027  0 24  ASN   A OD1 1 ? 
ATOM   184  N  ND2 . ASN   A 1 50  ? -19.015 20.638 45.929  1.000 47.815  0 24  ASN   A ND2 1 ? 
ATOM   185  N  N   . TYR   A 1 51  ? -19.033 20.197 40.463  1.000 26.367  0 25  TYR   A N   1 ? 
ATOM   186  C  CA  . TYR   A 1 51  ? -19.514 19.150 39.563  1.000 26.850  0 25  TYR   A CA  1 ? 
ATOM   187  C  C   . TYR   A 1 51  ? -18.370 18.502 38.768  1.000 21.743  0 25  TYR   A C   1 ? 
ATOM   188  O  O   . TYR   A 1 51  ? -18.230 17.272 38.777  1.000 22.276  0 25  TYR   A O   1 ? 
ATOM   189  C  CB  . TYR   A 1 51  ? -20.602 19.761 38.674  1.000 26.967  0 25  TYR   A CB  1 ? 
ATOM   190  C  CG  . TYR   A 1 51  ? -21.124 18.850 37.562  1.000 26.007  0 25  TYR   A CG  1 ? 
ATOM   191  C  CD1 . TYR   A 1 51  ? -20.504 18.848 36.321  1.000 23.678  0 25  TYR   A CD1 1 ? 
ATOM   192  C  CD2 . TYR   A 1 51  ? -22.211 18.005 37.757  1.000 28.065  0 25  TYR   A CD2 1 ? 
ATOM   193  C  CE1 . TYR   A 1 51  ? -20.961 18.023 35.309  1.000 23.049  0 25  TYR   A CE1 1 ? 
ATOM   194  C  CE2 . TYR   A 1 51  ? -22.684 17.174 36.750  1.000 23.908  0 25  TYR   A CE2 1 ? 
ATOM   195  C  CZ  . TYR   A 1 51  ? -22.067 17.216 35.512  1.000 23.378  0 25  TYR   A CZ  1 ? 
ATOM   196  O  OH  . TYR   A 1 51  ? -22.496 16.352 34.533  1.000 22.203  0 25  TYR   A OH  1 ? 
ATOM   197  N  N   . CYS   A 1 52  ? -17.582 19.317 38.056  1.000 20.966  0 26  CYS   A N   1 ? 
ATOM   198  C  CA  . CYS   A 1 52  ? -16.510 18.814 37.201  1.000 19.641  0 26  CYS   A CA  1 ? 
ATOM   199  C  C   . CYS   A 1 52  ? -15.482 18.045 38.023  1.000 22.457  0 26  CYS   A C   1 ? 
ATOM   200  O  O   . CYS   A 1 52  ? -15.030 16.974 37.645  1.000 20.589  0 26  CYS   A O   1 ? 
ATOM   201  C  CB  . CYS   A 1 52  ? -15.877 19.935 36.393  1.000 21.163  0 26  CYS   A CB  1 ? 
ATOM   202  S  SG  . CYS   A 1 52  ? -16.990 20.551 35.092  1.000 21.037  0 26  CYS   A SG  1 ? 
ATOM   203  N  N   . ASN   A 1 53  ? -15.138 18.563 39.210  1.000 22.686  0 27  ASN   A N   1 ? 
ATOM   204  C  CA  . ASN   A 1 53  ? -14.171 17.826 39.998  1.000 25.203  0 27  ASN   A CA  1 ? 
ATOM   205  C  C   . ASN   A 1 53  ? -14.623 16.392 40.235  1.000 22.431  0 27  ASN   A C   1 ? 
ATOM   206  O  O   . ASN   A 1 53  ? -13.806 15.483 40.137  1.000 24.929  0 27  ASN   A O   1 ? 
ATOM   207  C  CB  . ASN   A 1 53  ? -13.896 18.532 41.313  1.000 24.460  0 27  ASN   A CB  1 ? 
ATOM   208  C  CG  . ASN   A 1 53  ? -13.117 19.797 41.097  1.000 24.691  0 27  ASN   A CG  1 ? 
ATOM   209  O  OD1 . ASN   A 1 53  ? -12.377 19.955 40.111  1.000 24.675  0 27  ASN   A OD1 1 ? 
ATOM   210  N  ND2 . ASN   A 1 53  ? -13.252 20.707 42.046  1.000 31.500  0 27  ASN   A ND2 1 ? 
ATOM   211  N  N   . GLN   A 1 54  ? -15.900 16.216 40.577  1.000 24.486  0 28  GLN   A N   1 ? 
ATOM   212  C  CA  . GLN   A 1 54  ? -16.449 14.923 40.944  1.000 29.168  0 28  GLN   A CA  1 ? 
ATOM   213  C  C   . GLN   A 1 54  ? -16.585 14.045 39.700  1.000 27.351  0 28  GLN   A C   1 ? 
ATOM   214  O  O   . GLN   A 1 54  ? -16.209 12.871 39.700  1.000 27.310  0 28  GLN   A O   1 ? 
ATOM   215  C  CB  . GLN   A 1 54  ? -17.804 15.134 41.614  1.000 35.284  0 28  GLN   A CB  1 ? 
ATOM   216  C  CG  . GLN   A 1 54  ? -17.734 15.957 42.900  1.000 44.799  0 28  GLN   A CG  1 ? 
ATOM   217  C  CD  . GLN   A 1 54  ? -19.099 16.306 43.454  1.000 52.123  0 28  GLN   A CD  1 ? 
ATOM   218  O  OE1 . GLN   A 1 54  ? -20.138 15.980 42.867  1.000 54.439  0 28  GLN   A OE1 1 ? 
ATOM   219  N  NE2 . GLN   A 1 54  ? -19.109 16.971 44.600  1.000 56.825  0 28  GLN   A NE2 1 ? 
ATOM   220  N  N   . MET   A 1 55  ? -17.135 14.643 38.638  1.000 26.756  0 29  MET   A N   1 ? 
ATOM   221  C  CA  . MET   A 1 55  ? -17.518 13.877 37.459  1.000 24.378  0 29  MET   A CA  1 ? 
ATOM   222  C  C   . MET   A 1 55  ? -16.311 13.448 36.630  1.000 22.039  0 29  MET   A C   1 ? 
ATOM   223  O  O   . MET   A 1 55  ? -16.261 12.316 36.120  1.000 22.493  0 29  MET   A O   1 ? 
ATOM   224  C  CB  . MET   A 1 55  ? -18.462 14.723 36.594  1.000 24.019  0 29  MET   A CB  1 ? 
ATOM   225  C  CG  . MET   A 1 55  ? -19.838 14.828 37.153  1.000 25.265  0 29  MET   A CG  1 ? 
ATOM   226  S  SD  . MET   A 1 55  ? -20.683 13.238 37.132  1.000 28.104  0 29  MET   A SD  1 ? 
ATOM   227  C  CE  . MET   A 1 55  ? -20.986 13.117 35.353  1.000 24.614  0 29  MET   A CE  1 ? 
ATOM   228  N  N   . MET   A 1 56  ? -15.316 14.331 36.507  1.000 20.352  0 30  MET   A N   1 ? 
ATOM   229  C  CA  . MET   A 1 56  ? -14.114 13.981 35.753  1.000 21.776  0 30  MET   A CA  1 ? 
ATOM   230  C  C   . MET   A 1 56  ? -13.456 12.762 36.410  1.000 24.830  0 30  MET   A C   1 ? 
ATOM   231  O  O   . MET   A 1 56  ? -12.930 11.899 35.734  1.000 24.013  0 30  MET   A O   1 ? 
ATOM   232  C  CB  . MET   A 1 56  ? -13.135 15.143 35.584  1.000 21.012  0 30  MET   A CB  1 ? 
ATOM   233  C  CG  . MET   A 1 56  ? -13.706 16.319 34.808  1.000 17.481  0 30  MET   A CG  1 ? 
ATOM   234  S  SD  . MET   A 1 56  ? -13.997 15.857 33.081  1.000 19.006  0 30  MET   A SD  1 ? 
ATOM   235  C  CE  . MET   A 1 56  ? -12.306 15.796 32.464  1.000 20.790  0 30  MET   A CE  1 ? 
ATOM   236  N  N   . LYS   A 1 57  ? -13.518 12.693 37.739  1.000 28.496  0 31  LYS   A N   1 ? 
ATOM   237  C  CA  . LYS   A 1 57  ? -12.927 11.580 38.458  1.000 28.607  0 31  LYS   A CA  1 ? 
ATOM   238  C  C   . LYS   A 1 57  ? -13.802 10.330 38.350  1.000 24.144  0 31  LYS   A C   1 ? 
ATOM   239  O  O   . LYS   A 1 57  ? -13.294 9.286  37.947  1.000 26.576  0 31  LYS   A O   1 ? 
ATOM   240  C  CB  . LYS   A 1 57  ? -12.667 12.018 39.907  1.000 31.496  0 31  LYS   A CB  1 ? 
ATOM   241  C  CG  . LYS   A 1 57  ? -12.051 10.943 40.802  1.000 37.452  0 31  LYS   A CG  1 ? 
ATOM   242  C  CD  . LYS   A 1 57  ? -11.663 11.454 42.186  1.000 41.606  0 31  LYS   A CD  1 ? 
ATOM   243  C  CE  . LYS   A 1 57  ? -11.140 10.358 43.067  1.000 45.320  0 31  LYS   A CE  1 ? 
ATOM   244  N  NZ  . LYS   A 1 57  ? -10.515 10.879 44.290  1.000 48.673  0 31  LYS   A NZ  1 ? 
ATOM   245  N  N   . SER   A 1 58  ? -15.111 10.448 38.618  1.000 26.046  0 32  SER   A N   1 ? 
ATOM   246  C  CA  . SER   A 1 58  ? -16.006 9.302  38.698  1.000 26.017  0 32  SER   A CA  1 ? 
ATOM   247  C  C   . SER   A 1 58  ? -16.215 8.621  37.338  1.000 24.926  0 32  SER   A C   1 ? 
ATOM   248  O  O   . SER   A 1 58  ? -16.487 7.429  37.252  1.000 25.681  0 32  SER   A O   1 ? 
ATOM   249  C  CB  . SER   A 1 58  ? -17.327 9.680  39.311  1.000 29.598  0 32  SER   A CB  1 ? 
ATOM   250  O  OG  . SER   A 1 58  ? -18.075 10.619 38.546  1.000 29.906  0 32  SER   A OG  1 ? 
ATOM   251  N  N   . ARG   A 1 59  ? -16.098 9.403  36.271  1.000 23.139  0 33  ARG   A N   1 ? 
ATOM   252  C  CA  . ARG   A 1 59  ? -16.173 8.872  34.920  1.000 21.655  0 33  ARG   A CA  1 ? 
ATOM   253  C  C   . ARG   A 1 59  ? -14.808 8.448  34.369  1.000 25.511  0 33  ARG   A C   1 ? 
ATOM   254  O  O   . ARG   A 1 59  ? -14.662 8.169  33.177  1.000 23.409  0 33  ARG   A O   1 ? 
ATOM   255  C  CB  . ARG   A 1 59  ? -16.795 9.943  34.004  1.000 19.426  0 33  ARG   A CB  1 ? 
ATOM   256  C  CG  . ARG   A 1 59  ? -18.202 10.367 34.385  1.000 19.178  0 33  ARG   A CG  1 ? 
ATOM   257  C  CD  . ARG   A 1 59  ? -19.147 9.169  34.354  1.000 18.521  0 33  ARG   A CD  1 ? 
ATOM   258  N  NE  . ARG   A 1 59  ? -20.559 9.492  34.538  1.000 20.100  0 33  ARG   A NE  1 ? 
ATOM   259  C  CZ  . ARG   A 1 59  ? -21.414 9.939  33.586  1.000 19.503  0 33  ARG   A CZ  1 ? 
ATOM   260  N  NH1 . ARG   A 1 59  ? -21.021 9.933  32.319  1.000 19.845  0 33  ARG   A NH1 1 ? 
ATOM   261  N  NH2 . ARG   A 1 59  ? -22.639 10.313 33.895  1.000 20.427  0 33  ARG   A NH2 1 ? 
ATOM   262  N  N   . ASN   A 1 60  ? -13.779 8.467  35.230  1.000 28.011  0 34  ASN   A N   1 ? 
ATOM   263  C  CA  . ASN   A 1 60  ? -12.476 7.900  34.952  1.000 30.474  0 34  ASN   A CA  1 ? 
ATOM   264  C  C   . ASN   A 1 60  ? -11.740 8.720  33.907  1.000 27.549  0 34  ASN   A C   1 ? 
ATOM   265  O  O   . ASN   A 1 60  ? -10.942 8.187  33.149  1.000 34.905  0 34  ASN   A O   1 ? 
ATOM   266  C  CB  . ASN   A 1 60  ? -12.593 6.407  34.651  1.000 34.791  0 34  ASN   A CB  1 ? 
ATOM   267  C  CG  . ASN   A 1 60  ? -13.092 5.639  35.860  1.000 43.785  0 34  ASN   A CG  1 ? 
ATOM   268  O  OD1 . ASN   A 1 60  ? -12.597 5.842  36.974  1.000 50.360  0 34  ASN   A OD1 1 ? 
ATOM   269  N  ND2 . ASN   A 1 60  ? -14.085 4.779  35.688  1.000 46.801  0 34  ASN   A ND2 1 ? 
ATOM   270  N  N   . LEU   A 1 61  ? -11.959 10.039 33.905  1.000 29.183  0 35  LEU   A N   1 ? 
ATOM   271  C  CA  . LEU   A 1 61  ? -11.281 10.915 32.977  1.000 29.479  0 35  LEU   A CA  1 ? 
ATOM   272  C  C   . LEU   A 1 61  ? -10.038 11.515 33.639  1.000 28.452  0 35  LEU   A C   1 ? 
ATOM   273  O  O   . LEU   A 1 61  ? -9.380  12.325 33.017  1.000 26.208  0 35  LEU   A O   1 ? 
ATOM   274  C  CB  . LEU   A 1 61  ? -12.263 11.991 32.514  1.000 28.651  0 35  LEU   A CB  1 ? 
ATOM   275  C  CG  . LEU   A 1 61  ? -13.617 11.454 32.040  1.000 30.239  0 35  LEU   A CG  1 ? 
ATOM   276  C  CD1 . LEU   A 1 61  ? -14.527 12.493 31.435  1.000 29.867  0 35  LEU   A CD1 1 ? 
ATOM   277  C  CD2 . LEU   A 1 61  ? -13.363 10.331 31.064  1.000 32.162  0 35  LEU   A CD2 1 ? 
ATOM   278  N  N   . THR   A 1 62  ? -9.703  11.113 34.876  1.000 33.050  0 36  THR   A N   1 ? 
ATOM   279  C  CA  . THR   A 1 62  ? -8.518  11.644 35.550  1.000 34.521  0 36  THR   A CA  1 ? 
ATOM   280  C  C   . THR   A 1 62  ? -7.594  10.522 36.023  1.000 41.919  0 36  THR   A C   1 ? 
ATOM   281  O  O   . THR   A 1 62  ? -6.900  10.670 37.039  1.000 36.724  0 36  THR   A O   1 ? 
ATOM   282  C  CB  . THR   A 1 62  ? -8.932  12.513 36.733  1.000 33.492  0 36  THR   A CB  1 ? 
ATOM   283  O  OG1 . THR   A 1 62  ? -9.476  11.681 37.749  1.000 32.340  0 36  THR   A OG1 1 ? 
ATOM   284  C  CG2 . THR   A 1 62  ? -9.976  13.562 36.383  1.000 36.182  0 36  THR   A CG2 1 ? 
ATOM   285  N  N   . LYS   A 1 63  ? -7.553  9.426  35.257  1.000 41.555  0 37  LYS   A N   1 ? 
ATOM   286  C  CA  . LYS   A 1 63  ? -6.985  8.177  35.748  1.000 48.133  0 37  LYS   A CA  1 ? 
ATOM   287  C  C   . LYS   A 1 63  ? -5.499  8.116  35.394  1.000 46.844  0 37  LYS   A C   1 ? 
ATOM   288  O  O   . LYS   A 1 63  ? -4.685  7.837  36.268  1.000 43.517  0 37  LYS   A O   1 ? 
ATOM   289  C  CB  . LYS   A 1 63  ? -7.821  7.005  35.214  1.000 54.773  0 37  LYS   A CB  1 ? 
ATOM   290  C  CG  . LYS   A 1 63  ? -7.190  5.613  35.271  1.000 59.925  0 37  LYS   A CG  1 ? 
ATOM   291  C  CD  . LYS   A 1 63  ? -7.376  4.849  33.963  1.000 64.099  0 37  LYS   A CD  1 ? 
ATOM   292  C  CE  . LYS   A 1 63  ? -6.738  3.491  33.956  1.000 67.212  0 37  LYS   A CE  1 ? 
ATOM   293  N  NZ  . LYS   A 1 63  ? -6.431  3.029  32.597  1.000 68.740  0 37  LYS   A NZ  1 ? 
ATOM   294  N  N   . ASP   A 1 64  ? -5.173  8.377  34.118  1.000 42.744  0 38  ASP   A N   1 ? 
ATOM   295  C  CA  . ASP   A 1 64  ? -3.819  8.311  33.595  1.000 46.482  0 38  ASP   A CA  1 ? 
ATOM   296  C  C   . ASP   A 1 64  ? -3.220  9.710  33.440  1.000 46.250  0 38  ASP   A C   1 ? 
ATOM   297  O  O   . ASP   A 1 64  ? -1.996  9.857  33.372  1.000 47.269  0 38  ASP   A O   1 ? 
ATOM   298  C  CB  . ASP   A 1 64  ? -3.797  7.619  32.239  1.000 51.409  0 38  ASP   A CB  1 ? 
ATOM   299  C  CG  . ASP   A 1 64  ? -4.072  6.118  32.220  1.000 56.360  0 38  ASP   A CG  1 ? 
ATOM   300  O  OD1 . ASP   A 1 64  ? -3.939  5.467  33.281  1.000 58.938  0 38  ASP   A OD1 1 ? 
ATOM   301  O  OD2 . ASP   A 1 64  ? -4.427  5.603  31.135  1.000 58.001  0 38  ASP   A OD2 1 ? 
ATOM   302  N  N   . ARG   A 1 65  ? -4.090  10.722 33.303  1.000 37.511  0 39  ARG   A N   1 ? 
ATOM   303  C  CA  . ARG   A 1 65  ? -3.700  12.121 33.252  1.000 37.223  0 39  ARG   A CA  1 ? 
ATOM   304  C  C   . ARG   A 1 65  ? -4.941  12.960 33.584  1.000 40.477  0 39  ARG   A C   1 ? 
ATOM   305  O  O   . ARG   A 1 65  ? -6.044  12.427 33.692  1.000 41.872  0 39  ARG   A O   1 ? 
ATOM   306  C  CB  . ARG   A 1 65  ? -3.086  12.442 31.886  1.000 38.322  0 39  ARG   A CB  1 ? 
ATOM   307  C  CG  . ARG   A 1 65  ? -4.037  12.832 30.760  1.000 44.100  0 39  ARG   A CG  1 ? 
ATOM   308  C  CD  . ARG   A 1 65  ? -3.336  12.874 29.407  1.000 47.170  0 39  ARG   A CD  1 ? 
ATOM   309  N  NE  . ARG   A 1 65  ? -3.931  13.826 28.460  1.000 52.483  0 39  ARG   A NE  1 ? 
ATOM   310  C  CZ  . ARG   A 1 65  ? -5.107  13.717 27.824  1.000 57.902  0 39  ARG   A CZ  1 ? 
ATOM   311  N  NH1 . ARG   A 1 65  ? -5.899  12.664 27.995  1.000 62.820  0 39  ARG   A NH1 1 ? 
ATOM   312  N  NH2 . ARG   A 1 65  ? -5.489  14.676 26.996  1.000 51.393  0 39  ARG   A NH2 1 ? 
ATOM   313  N  N   . CYS   A 1 66  ? -4.771  14.265 33.792  1.000 35.108  0 40  CYS   A N   1 ? 
ATOM   314  C  CA  . CYS   A 1 66  ? -5.931  15.141 33.872  1.000 33.890  0 40  CYS   A CA  1 ? 
ATOM   315  C  C   . CYS   A 1 66  ? -6.394  15.386 32.442  1.000 32.473  0 40  CYS   A C   1 ? 
ATOM   316  O  O   . CYS   A 1 66  ? -5.657  15.985 31.661  1.000 33.570  0 40  CYS   A O   1 ? 
ATOM   317  C  CB  . CYS   A 1 66  ? -5.633  16.489 34.523  1.000 34.231  0 40  CYS   A CB  1 ? 
ATOM   318  S  SG  . CYS   A 1 66  ? -4.898  16.420 36.180  1.000 34.823  0 40  CYS   A SG  1 ? 
ATOM   319  N  N   . LYS   A 1 67  ? -7.598  14.910 32.082  1.000 32.045  0 41  LYS   A N   1 ? 
ATOM   320  C  CA  . LYS   A 1 67  ? -8.099  15.222 30.754  1.000 30.386  0 41  LYS   A CA  1 ? 
ATOM   321  C  C   . LYS   A 1 67  ? -8.311  16.732 30.732  1.000 26.416  0 41  LYS   A C   1 ? 
ATOM   322  O  O   . LYS   A 1 67  ? -8.982  17.259 31.617  1.000 24.889  0 41  LYS   A O   1 ? 
ATOM   323  C  CB  . LYS   A 1 67  ? -9.376  14.469 30.355  1.000 29.277  0 41  LYS   A CB  1 ? 
ATOM   324  C  CG  . LYS   A 1 67  ? -9.841  14.814 28.953  1.000 30.243  0 41  LYS   A CG  1 ? 
ATOM   325  C  CD  . LYS   A 1 67  ? -10.967 13.931 28.447  1.000 28.081  0 41  LYS   A CD  1 ? 
ATOM   326  C  CE  . LYS   A 1 67  ? -11.431 14.330 27.070  1.000 30.057  0 41  LYS   A CE  1 ? 
ATOM   327  N  NZ  . LYS   A 1 67  ? -12.619 13.550 26.709  1.000 28.968  0 41  LYS   A NZ  1 ? 
ATOM   328  N  N   . PRO   A 1 68  ? -7.694  17.500 29.816  1.000 27.595  0 42  PRO   A N   1 ? 
ATOM   329  C  CA  . PRO   A 1 68  ? -7.768  18.964 29.881  1.000 29.061  0 42  PRO   A CA  1 ? 
ATOM   330  C  C   . PRO   A 1 68  ? -9.136  19.652 29.770  1.000 26.972  0 42  PRO   A C   1 ? 
ATOM   331  O  O   . PRO   A 1 68  ? -9.427  20.609 30.477  1.000 29.183  0 42  PRO   A O   1 ? 
ATOM   332  C  CB  . PRO   A 1 68  ? -6.860  19.367 28.704  1.000 31.304  0 42  PRO   A CB  1 ? 
ATOM   333  C  CG  . PRO   A 1 68  ? -5.925  18.217 28.566  1.000 33.457  0 42  PRO   A CG  1 ? 
ATOM   334  C  CD  . PRO   A 1 68  ? -6.807  17.016 28.745  1.000 33.583  0 42  PRO   A CD  1 ? 
ATOM   335  N  N   A VAL   A 1 69  ? -9.957  19.192 28.829  0.500 25.496  0 43  VAL   A N   1 ? 
ATOM   336  N  N   B VAL   A 1 69  ? -9.954  19.182 28.821  0.500 25.267  0 43  VAL   A N   1 ? 
ATOM   337  C  CA  A VAL   A 1 69  ? -11.275 19.775 28.643  0.500 22.247  0 43  VAL   A CA  1 ? 
ATOM   338  C  CA  B VAL   A 1 69  ? -11.259 19.768 28.539  0.500 21.898  0 43  VAL   A CA  1 ? 
ATOM   339  C  C   A VAL   A 1 69  ? -12.229 18.631 28.333  0.500 19.787  0 43  VAL   A C   1 ? 
ATOM   340  C  C   B VAL   A 1 69  ? -12.235 18.622 28.306  0.500 19.671  0 43  VAL   A C   1 ? 
ATOM   341  O  O   A VAL   A 1 69  ? -11.854 17.690 27.644  0.500 21.027  0 43  VAL   A O   1 ? 
ATOM   342  O  O   B VAL   A 1 69  ? -11.888 17.674 27.611  0.500 21.109  0 43  VAL   A O   1 ? 
ATOM   343  C  CB  A VAL   A 1 69  ? -11.289 20.829 27.520  0.500 25.449  0 43  VAL   A CB  1 ? 
ATOM   344  C  CB  B VAL   A 1 69  ? -11.213 20.681 27.296  0.500 24.423  0 43  VAL   A CB  1 ? 
ATOM   345  C  CG1 A VAL   A 1 69  ? -10.339 21.994 27.786  0.500 27.047  0 43  VAL   A CG1 1 ? 
ATOM   346  C  CG1 B VAL   A 1 69  ? -12.617 21.052 26.806  0.500 23.022  0 43  VAL   A CG1 1 ? 
ATOM   347  C  CG2 A VAL   A 1 69  ? -10.987 20.196 26.171  0.500 24.630  0 43  VAL   A CG2 1 ? 
ATOM   348  C  CG2 B VAL   A 1 69  ? -10.361 21.927 27.530  0.500 26.320  0 43  VAL   A CG2 1 ? 
ATOM   349  N  N   . ASN   A 1 70  ? -13.458 18.714 28.838  1.000 18.467  0 44  ASN   A N   1 ? 
ATOM   350  C  CA  . ASN   A 1 70  ? -14.442 17.679 28.571  1.000 16.396  0 44  ASN   A CA  1 ? 
ATOM   351  C  C   . ASN   A 1 70  ? -15.826 18.259 28.787  1.000 17.443  0 44  ASN   A C   1 ? 
ATOM   352  O  O   . ASN   A 1 70  ? -16.008 18.998 29.748  1.000 19.241  0 44  ASN   A O   1 ? 
ATOM   353  C  CB  . ASN   A 1 70  ? -14.224 16.495 29.490  1.000 15.788  0 44  ASN   A CB  1 ? 
ATOM   354  C  CG  . ASN   A 1 70  ? -15.119 15.350 29.150  1.000 14.839  0 44  ASN   A CG  1 ? 
ATOM   355  O  OD1 . ASN   A 1 70  ? -14.865 14.667 28.142  1.000 18.501  0 44  ASN   A OD1 1 ? 
ATOM   356  N  ND2 . ASN   A 1 70  ? -16.168 15.154 29.918  1.000 15.340  0 44  ASN   A ND2 1 ? 
ATOM   357  N  N   . THR   A 1 71  ? -16.814 17.909 27.968  1.000 13.985  0 45  THR   A N   1 ? 
ATOM   358  C  CA  . THR   A 1 71  ? -18.157 18.435 28.090  1.000 13.686  0 45  THR   A CA  1 ? 
ATOM   359  C  C   . THR   A 1 71  ? -19.113 17.305 28.430  1.000 12.987  0 45  THR   A C   1 ? 
ATOM   360  O  O   . THR   A 1 71  ? -19.008 16.197 27.851  1.000 13.941  0 45  THR   A O   1 ? 
ATOM   361  C  CB  . THR   A 1 71  ? -18.568 19.076 26.772  1.000 13.706  0 45  THR   A CB  1 ? 
ATOM   362  O  OG1 . THR   A 1 71  ? -17.699 20.170 26.507  1.000 16.067  0 45  THR   A OG1 1 ? 
ATOM   363  C  CG2 . THR   A 1 71  ? -20.032 19.496 26.817  1.000 15.813  0 45  THR   A CG2 1 ? 
ATOM   364  N  N   . PHE   A 1 72  ? -20.052 17.575 29.357  1.000 12.632  0 46  PHE   A N   1 ? 
ATOM   365  C  CA  . PHE   A 1 72  ? -21.139 16.676 29.685  1.000 13.862  0 46  PHE   A CA  1 ? 
ATOM   366  C  C   . PHE   A 1 72  ? -22.456 17.272 29.186  1.000 13.484  0 46  PHE   A C   1 ? 
ATOM   367  O  O   . PHE   A 1 72  ? -22.685 18.472 29.305  1.000 14.388  0 46  PHE   A O   1 ? 
ATOM   368  C  CB  . PHE   A 1 72  ? -21.186 16.449 31.210  1.000 15.664  0 46  PHE   A CB  1 ? 
ATOM   369  C  CG  . PHE   A 1 72  ? -20.025 15.634 31.763  1.000 15.681  0 46  PHE   A CG  1 ? 
ATOM   370  C  CD1 . PHE   A 1 72  ? -19.958 14.269 31.622  1.000 16.007  0 46  PHE   A CD1 1 ? 
ATOM   371  C  CD2 . PHE   A 1 72  ? -18.958 16.277 32.367  1.000 16.561  0 46  PHE   A CD2 1 ? 
ATOM   372  C  CE1 . PHE   A 1 72  ? -18.872 13.559 32.087  1.000 17.335  0 46  PHE   A CE1 1 ? 
ATOM   373  C  CE2 . PHE   A 1 72  ? -17.871 15.548 32.849  1.000 16.641  0 46  PHE   A CE2 1 ? 
ATOM   374  C  CZ  . PHE   A 1 72  ? -17.845 14.198 32.708  1.000 16.171  0 46  PHE   A CZ  1 ? 
ATOM   375  N  N   . VAL   A 1 73  ? -23.283 16.418 28.589  1.000 13.377  0 47  VAL   A N   1 ? 
ATOM   376  C  CA  . VAL   A 1 73  ? -24.583 16.837 28.050  1.000 14.001  0 47  VAL   A CA  1 ? 
ATOM   377  C  C   . VAL   A 1 73  ? -25.703 16.333 28.959  1.000 15.109  0 47  VAL   A C   1 ? 
ATOM   378  O  O   . VAL   A 1 73  ? -25.807 15.128 29.253  1.000 15.145  0 47  VAL   A O   1 ? 
ATOM   379  C  CB  . VAL   A 1 73  ? -24.749 16.310 26.628  1.000 13.933  0 47  VAL   A CB  1 ? 
ATOM   380  C  CG1 . VAL   A 1 73  ? -26.064 16.797 26.025  1.000 13.658  0 47  VAL   A CG1 1 ? 
ATOM   381  C  CG2 . VAL   A 1 73  ? -23.574 16.717 25.779  1.000 13.787  0 47  VAL   A CG2 1 ? 
ATOM   382  N  N   . HIS   A 1 74  ? -26.600 17.280 29.293  1.000 17.778  0 48  HIS   A N   1 ? 
ATOM   383  C  CA  . HIS   A 1 74  ? -27.745 17.010 30.153  1.000 17.099  0 48  HIS   A CA  1 ? 
ATOM   384  C  C   . HIS   A 1 74  ? -29.032 16.979 29.342  1.000 18.658  0 48  HIS   A C   1 ? 
ATOM   385  O  O   . HIS   A 1 74  ? -29.898 17.869 29.477  1.000 20.953  0 48  HIS   A O   1 ? 
ATOM   386  C  CB  . HIS   A 1 74  ? -27.913 18.109 31.189  1.000 17.507  0 48  HIS   A CB  1 ? 
ATOM   387  C  CG  . HIS   A 1 74  ? -26.648 18.410 31.928  1.000 18.052  0 48  HIS   A CG  1 ? 
ATOM   388  N  ND1 . HIS   A 1 74  ? -25.980 17.443 32.647  1.000 20.156  0 48  HIS   A ND1 1 ? 
ATOM   389  C  CD2 . HIS   A 1 74  ? -25.903 19.494 31.977  1.000 17.306  0 48  HIS   A CD2 1 ? 
ATOM   390  C  CE1 . HIS   A 1 74  ? -24.892 17.989 33.188  1.000 21.018  0 48  HIS   A CE1 1 ? 
ATOM   391  N  NE2 . HIS   A 1 74  ? -24.824 19.250 32.813  1.000 20.289  0 48  HIS   A NE2 1 ? 
ATOM   392  N  N   . GLU   A 1 75  ? -29.088 15.992 28.456  1.000 16.430  0 49  GLU   A N   1 ? 
ATOM   393  C  CA  . GLU   A 1 75  ? -30.258 15.705 27.660  1.000 15.187  0 49  GLU   A CA  1 ? 
ATOM   394  C  C   . GLU   A 1 75  ? -30.355 14.194 27.663  1.000 15.652  0 49  GLU   A C   1 ? 
ATOM   395  O  O   . GLU   A 1 75  ? -29.403 13.523 28.058  1.000 17.621  0 49  GLU   A O   1 ? 
ATOM   396  C  CB  . GLU   A 1 75  ? -30.122 16.239 26.217  1.000 16.214  0 49  GLU   A CB  1 ? 
ATOM   397  C  CG  . GLU   A 1 75  ? -29.952 17.751 26.159  1.000 16.113  0 49  GLU   A CG  1 ? 
ATOM   398  C  CD  . GLU   A 1 75  ? -31.089 18.659 26.628  1.000 18.809  0 49  GLU   A CD  1 ? 
ATOM   399  O  OE1 . GLU   A 1 75  ? -32.203 18.146 26.775  1.000 21.288  0 49  GLU   A OE1 1 ? 
ATOM   400  O  OE2 . GLU   A 1 75  ? -30.868 19.867 26.860  1.000 18.883  0 49  GLU   A OE2 1 ? 
ATOM   401  N  N   . SER   A 1 76  ? -31.470 13.642 27.196  1.000 15.404  0 50  SER   A N   1 ? 
ATOM   402  C  CA  . SER   A 1 76  ? -31.664 12.216 27.104  1.000 16.583  0 50  SER   A CA  1 ? 
ATOM   403  C  C   . SER   A 1 76  ? -30.666 11.632 26.117  1.000 17.699  0 50  SER   A C   1 ? 
ATOM   404  O  O   . SER   A 1 76  ? -30.228 12.289 25.190  1.000 16.325  0 50  SER   A O   1 ? 
ATOM   405  C  CB  . SER   A 1 76  ? -33.072 11.874 26.684  1.000 17.179  0 50  SER   A CB  1 ? 
ATOM   406  O  OG  . SER   A 1 76  ? -33.346 12.268 25.336  1.000 20.246  0 50  SER   A OG  1 ? 
ATOM   407  N  N   . LEU   A 1 77  ? -30.350 10.367 26.296  1.000 17.996  0 51  LEU   A N   1 ? 
ATOM   408  C  CA  . LEU   A 1 77  ? -29.520 9.670  25.346  1.000 16.891  0 51  LEU   A CA  1 ? 
ATOM   409  C  C   . LEU   A 1 77  ? -30.176 9.711  23.962  1.000 17.444  0 51  LEU   A C   1 ? 
ATOM   410  O  O   . LEU   A 1 77  ? -29.483 9.877  22.952  1.000 15.522  0 51  LEU   A O   1 ? 
ATOM   411  C  CB  . LEU   A 1 77  ? -29.259 8.231  25.800  1.000 19.943  0 51  LEU   A CB  1 ? 
ATOM   412  C  CG  . LEU   A 1 77  ? -28.420 7.363  24.865  1.000 21.645  0 51  LEU   A CG  1 ? 
ATOM   413  C  CD1 . LEU   A 1 77  ? -27.056 7.983  24.686  1.000 21.622  0 51  LEU   A CD1 1 ? 
ATOM   414  C  CD2 . LEU   A 1 77  ? -28.288 5.890  25.338  1.000 23.247  0 51  LEU   A CD2 1 ? 
ATOM   415  N  N   . ALA   A 1 78  ? -31.502 9.557  23.890  1.000 17.384  0 52  ALA   A N   1 ? 
ATOM   416  C  CA  . ALA   A 1 78  ? -32.168 9.519  22.591  1.000 16.176  0 52  ALA   A CA  1 ? 
ATOM   417  C  C   . ALA   A 1 78  ? -32.005 10.853 21.877  1.000 16.058  0 52  ALA   A C   1 ? 
ATOM   418  O  O   . ALA   A 1 78  ? -31.762 10.913 20.652  1.000 16.700  0 52  ALA   A O   1 ? 
ATOM   419  C  CB  . ALA   A 1 78  ? -33.644 9.153  22.758  1.000 18.435  0 52  ALA   A CB  1 ? 
ATOM   420  N  N   . ASP   A 1 79  ? -32.086 11.942 22.633  1.000 14.515  0 53  ASP   A N   1 ? 
ATOM   421  C  CA  . ASP   A 1 79  ? -31.935 13.261 22.017  1.000 14.691  0 53  ASP   A CA  1 ? 
ATOM   422  C  C   . ASP   A 1 79  ? -30.515 13.438 21.466  1.000 14.627  0 53  ASP   A C   1 ? 
ATOM   423  O  O   . ASP   A 1 79  ? -30.324 14.088 20.450  1.000 14.316  0 53  ASP   A O   1 ? 
ATOM   424  C  CB  . ASP   A 1 79  ? -32.308 14.398 22.942  1.000 17.522  0 53  ASP   A CB  1 ? 
ATOM   425  C  CG  . ASP   A 1 79  ? -33.801 14.636 23.090  1.000 20.791  0 53  ASP   A CG  1 ? 
ATOM   426  O  OD1 . ASP   A 1 79  ? -34.582 13.911 22.435  1.000 26.271  0 53  ASP   A OD1 1 ? 
ATOM   427  O  OD2 . ASP   A 1 79  ? -34.167 15.539 23.885  1.000 25.498  0 53  ASP   A OD2 1 ? 
ATOM   428  N  N   . VAL   A 1 80  ? -29.502 12.991 22.207  1.000 13.764  0 54  VAL   A N   1 ? 
ATOM   429  C  CA  . VAL   A 1 80  ? -28.139 13.150 21.755  1.000 12.746  0 54  VAL   A CA  1 ? 
ATOM   430  C  C   . VAL   A 1 80  ? -27.879 12.221 20.567  1.000 13.217  0 54  VAL   A C   1 ? 
ATOM   431  O  O   . VAL   A 1 80  ? -27.250 12.633 19.569  1.000 12.103  0 54  VAL   A O   1 ? 
ATOM   432  C  CB  . VAL   A 1 80  ? -27.185 12.967 22.944  1.000 11.505  0 54  VAL   A CB  1 ? 
ATOM   433  C  CG1 . VAL   A 1 80  ? -25.740 12.988 22.479  1.000 12.749  0 54  VAL   A CG1 1 ? 
ATOM   434  C  CG2 . VAL   A 1 80  ? -27.441 14.062 23.970  1.000 13.330  0 54  VAL   A CG2 1 ? 
ATOM   435  N  N   . GLN   A 1 81  ? -28.368 10.975 20.615  1.000 14.143  0 55  GLN   A N   1 ? 
ATOM   436  C  CA  . GLN   A 1 81  ? -28.196 10.051 19.500  1.000 13.643  0 55  GLN   A CA  1 ? 
ATOM   437  C  C   . GLN   A 1 81  ? -28.846 10.628 18.237  1.000 14.076  0 55  GLN   A C   1 ? 
ATOM   438  O  O   . GLN   A 1 81  ? -28.339 10.405 17.126  1.000 13.863  0 55  GLN   A O   1 ? 
ATOM   439  C  CB  . GLN   A 1 81  ? -28.809 8.699  19.873  1.000 14.521  0 55  GLN   A CB  1 ? 
ATOM   440  C  CG  . GLN   A 1 81  ? -27.995 7.875  20.855  1.000 15.159  0 55  GLN   A CG  1 ? 
ATOM   441  C  CD  . GLN   A 1 81  ? -28.739 6.628  21.324  1.000 15.457  0 55  GLN   A CD  1 ? 
ATOM   442  O  OE1 . GLN   A 1 81  ? -29.979 6.608  21.384  1.000 19.243  0 55  GLN   A OE1 1 ? 
ATOM   443  N  NE2 . GLN   A 1 81  ? -27.964 5.659  21.776  1.000 16.935  0 55  GLN   A NE2 1 ? 
ATOM   444  N  N   . ALA   A 1 82  ? -29.939 11.369 18.401  1.000 12.066  0 56  ALA   A N   1 ? 
ATOM   445  C  CA  . ALA   A 1 82  ? -30.682 11.930 17.272  1.000 12.643  0 56  ALA   A CA  1 ? 
ATOM   446  C  C   . ALA   A 1 82  ? -29.843 12.953 16.509  1.000 12.481  0 56  ALA   A C   1 ? 
ATOM   447  O  O   . ALA   A 1 82  ? -30.106 13.212 15.342  1.000 11.999  0 56  ALA   A O   1 ? 
ATOM   448  C  CB  . ALA   A 1 82  ? -31.965 12.565 17.744  1.000 14.554  0 56  ALA   A CB  1 ? 
ATOM   449  N  N   . VAL   A 1 83  ? -28.830 13.528 17.143  1.000 11.145  0 57  VAL   A N   1 ? 
ATOM   450  C  CA  . VAL   A 1 83  ? -28.015 14.549 16.483  1.000 11.483  0 57  VAL   A CA  1 ? 
ATOM   451  C  C   . VAL   A 1 83  ? -27.282 13.956 15.278  1.000 10.750  0 57  VAL   A C   1 ? 
ATOM   452  O  O   . VAL   A 1 83  ? -26.953 14.674 14.318  1.000 10.632  0 57  VAL   A O   1 ? 
ATOM   453  C  CB  . VAL   A 1 83  ? -27.070 15.205 17.516  1.000 10.785  0 57  VAL   A CB  1 ? 
ATOM   454  C  CG1 . VAL   A 1 83  ? -26.152 16.228 16.868  1.000 11.209  0 57  VAL   A CG1 1 ? 
ATOM   455  C  CG2 . VAL   A 1 83  ? -27.885 15.869 18.616  1.000 11.743  0 57  VAL   A CG2 1 ? 
ATOM   456  N  N   . CYS   A 1 84  ? -27.055 12.645 15.256  1.000 10.381  0 58  CYS   A N   1 ? 
ATOM   457  C  CA  . CYS   A 1 84  ? -26.405 11.985 14.129  1.000 11.248  0 58  CYS   A CA  1 ? 
ATOM   458  C  C   . CYS   A 1 84  ? -27.210 12.100 12.830  1.000 11.644  0 58  CYS   A C   1 ? 
ATOM   459  O  O   . CYS   A 1 84  ? -26.644 11.764 11.802  1.000 13.068  0 58  CYS   A O   1 ? 
ATOM   460  C  CB  . CYS   A 1 84  ? -26.093 10.517 14.439  1.000 11.389  0 58  CYS   A CB  1 ? 
ATOM   461  S  SG  . CYS   A 1 84  ? -24.922 10.272 15.797  1.000 15.469  0 58  CYS   A SG  1 ? 
ATOM   462  N  N   A SER   A 1 85  ? -28.499 12.481 12.904  0.500 12.740  0 59  SER   A N   1 ? 
ATOM   463  N  N   B SER   A 1 85  ? -28.499 12.488 12.927  0.500 12.159  0 59  SER   A N   1 ? 
ATOM   464  C  CA  A SER   A 1 85  ? -29.308 12.696 11.712  0.500 13.494  0 59  SER   A CA  1 ? 
ATOM   465  C  CA  B SER   A 1 85  ? -29.387 12.681 11.788  0.500 12.482  0 59  SER   A CA  1 ? 
ATOM   466  C  C   A SER   A 1 85  ? -29.641 14.176 11.492  0.500 13.117  0 59  SER   A C   1 ? 
ATOM   467  C  C   B SER   A 1 85  ? -29.640 14.168 11.495  0.500 12.576  0 59  SER   A C   1 ? 
ATOM   468  O  O   A SER   A 1 85  ? -30.505 14.498 10.666  0.500 13.278  0 59  SER   A O   1 ? 
ATOM   469  O  O   B SER   A 1 85  ? -30.483 14.490 10.647  0.500 12.824  0 59  SER   A O   1 ? 
ATOM   470  C  CB  A SER   A 1 85  ? -30.558 11.877 11.818  0.500 16.587  0 59  SER   A CB  1 ? 
ATOM   471  C  CB  B SER   A 1 85  ? -30.699 11.994 12.104  0.500 14.187  0 59  SER   A CB  1 ? 
ATOM   472  O  OG  A SER   A 1 85  ? -30.268 10.510 11.583  0.500 19.786  0 59  SER   A OG  1 ? 
ATOM   473  O  OG  B SER   A 1 85  ? -31.470 12.810 12.978  0.500 16.095  0 59  SER   A OG  1 ? 
ATOM   474  N  N   . GLN   A 1 86  ? -28.966 15.071 12.220  1.000 11.099  0 60  GLN   A N   1 ? 
ATOM   475  C  CA  . GLN   A 1 86  ? -29.197 16.517 12.166  1.000 11.097  0 60  GLN   A CA  1 ? 
ATOM   476  C  C   . GLN   A 1 86  ? -28.198 17.203 11.229  1.000 11.374  0 60  GLN   A C   1 ? 
ATOM   477  O  O   . GLN   A 1 86  ? -27.976 16.679 10.152  1.000 12.888  0 60  GLN   A O   1 ? 
ATOM   478  C  CB  . GLN   A 1 86  ? -29.361 17.045 13.587  1.000 10.675  0 60  GLN   A CB  1 ? 
ATOM   479  C  CG  . GLN   A 1 86  ? -30.599 16.431 14.249  1.000 11.120  0 60  GLN   A CG  1 ? 
ATOM   480  C  CD  . GLN   A 1 86  ? -30.842 16.893 15.667  1.000 11.987  0 60  GLN   A CD  1 ? 
ATOM   481  O  OE1 . GLN   A 1 86  ? -30.402 17.957 16.112  1.000 12.480  0 60  GLN   A OE1 1 ? 
ATOM   482  N  NE2 . GLN   A 1 86  ? -31.568 16.038 16.370  1.000 14.053  0 60  GLN   A NE2 1 ? 
ATOM   483  N  N   . LYS   A 1 87  ? -27.663 18.372 11.594  1.000 11.111  0 61  LYS   A N   1 ? 
ATOM   484  C  CA  . LYS   A 1 87  ? -26.996 19.189 10.595  1.000 11.158  0 61  LYS   A CA  1 ? 
ATOM   485  C  C   . LYS   A 1 87  ? -25.558 18.697 10.415  1.000 10.246  0 61  LYS   A C   1 ? 
ATOM   486  O  O   . LYS   A 1 87  ? -24.747 18.845 11.304  1.000 10.621  0 61  LYS   A O   1 ? 
ATOM   487  C  CB  . LYS   A 1 87  ? -26.967 20.666 10.969  1.000 12.220  0 61  LYS   A CB  1 ? 
ATOM   488  C  CG  . LYS   A 1 87  ? -26.342 21.550 9.902   1.000 16.014  0 61  LYS   A CG  1 ? 
ATOM   489  C  CD  . LYS   A 1 87  ? -26.147 22.991 10.348  1.000 21.808  0 61  LYS   A CD  1 ? 
ATOM   490  C  CE  . LYS   A 1 87  ? -25.510 23.714 9.194   1.000 26.684  0 61  LYS   A CE  1 ? 
ATOM   491  N  NZ  . LYS   A 1 87  ? -25.293 25.134 9.486   1.000 33.618  0 61  LYS   A NZ  1 ? 
ATOM   492  N  N   . ASN   A 1 88  ? -25.208 18.197 9.232   1.000 10.445  0 62  ASN   A N   1 ? 
ATOM   493  C  CA  . ASN   A 1 88  ? -23.867 17.717 8.923   1.000 10.053  0 62  ASN   A CA  1 ? 
ATOM   494  C  C   . ASN   A 1 88  ? -22.940 18.927 8.780   1.000 9.872   0 62  ASN   A C   1 ? 
ATOM   495  O  O   . ASN   A 1 88  ? -23.205 19.830 7.939   1.000 12.364  0 62  ASN   A O   1 ? 
ATOM   496  C  CB  . ASN   A 1 88  ? -23.884 16.810 7.697   1.000 11.504  0 62  ASN   A CB  1 ? 
ATOM   497  C  CG  . ASN   A 1 88  ? -22.573 16.153 7.343   1.000 13.999  0 62  ASN   A CG  1 ? 
ATOM   498  O  OD1 . ASN   A 1 88  ? -22.351 15.946 6.140   1.000 17.021  0 62  ASN   A OD1 1 ? 
ATOM   499  N  ND2 . ASN   A 1 88  ? -21.745 15.724 8.316   1.000 12.529  0 62  ASN   A ND2 1 ? 
ATOM   500  N  N   . VAL   A 1 89  ? -21.855 18.906 9.576   1.000 8.824   0 63  VAL   A N   1 ? 
ATOM   501  C  CA  . VAL   A 1 89  ? -20.838 19.928 9.597   1.000 9.736   0 63  VAL   A CA  1 ? 
ATOM   502  C  C   . VAL   A 1 89  ? -19.438 19.296 9.606   1.000 9.594   0 63  VAL   A C   1 ? 
ATOM   503  O  O   . VAL   A 1 89  ? -19.279 18.164 10.034  1.000 10.799  0 63  VAL   A O   1 ? 
ATOM   504  C  CB  . VAL   A 1 89  ? -20.996 20.884 10.787  1.000 10.997  0 63  VAL   A CB  1 ? 
ATOM   505  C  CG1 . VAL   A 1 89  ? -22.333 21.627 10.802  1.000 12.042  0 63  VAL   A CG1 1 ? 
ATOM   506  C  CG2 . VAL   A 1 89  ? -20.735 20.185 12.099  1.000 10.809  0 63  VAL   A CG2 1 ? 
ATOM   507  N  N   . ALA   A 1 90  ? -18.441 20.037 9.142   1.000 10.119  0 64  ALA   A N   1 ? 
ATOM   508  C  CA  . ALA   A 1 90  ? -17.074 19.581 9.233   1.000 10.121  0 64  ALA   A CA  1 ? 
ATOM   509  C  C   . ALA   A 1 90  ? -16.624 19.429 10.682  1.000 10.693  0 64  ALA   A C   1 ? 
ATOM   510  O  O   . ALA   A 1 90  ? -16.863 20.271 11.531  1.000 10.247  0 64  ALA   A O   1 ? 
ATOM   511  C  CB  . ALA   A 1 90  ? -16.153 20.497 8.465   1.000 11.158  0 64  ALA   A CB  1 ? 
ATOM   512  N  N   . CYS   A 1 91  ? -15.935 18.337 10.963  1.000 11.177  0 65  CYS   A N   1 ? 
ATOM   513  C  CA  . CYS   A 1 91  ? -15.248 18.130 12.221  1.000 9.691   0 65  CYS   A CA  1 ? 
ATOM   514  C  C   . CYS   A 1 91  ? -13.963 18.953 12.282  1.000 9.606   0 65  CYS   A C   1 ? 
ATOM   515  O  O   . CYS   A 1 91  ? -13.361 19.221 11.264  1.000 10.609  0 65  CYS   A O   1 ? 
ATOM   516  C  CB  . CYS   A 1 91  ? -14.787 16.686 12.406  1.000 11.448  0 65  CYS   A CB  1 ? 
ATOM   517  S  SG  . CYS   A 1 91  ? -16.086 15.433 12.242  1.000 13.745  0 65  CYS   A SG  1 ? 
ATOM   518  N  N   . LYS   A 1 92  ? -13.521 19.296 13.486  1.000 11.335  0 66  LYS   A N   1 ? 
ATOM   519  C  CA  . LYS   A 1 92  ? -12.303 20.070 13.662  1.000 11.938  0 66  LYS   A CA  1 ? 
ATOM   520  C  C   . LYS   A 1 92  ? -11.097 19.419 12.992  1.000 12.529  0 66  LYS   A C   1 ? 
ATOM   521  O  O   . LYS   A 1 92  ? -10.226 20.132 12.518  1.000 14.346  0 66  LYS   A O   1 ? 
ATOM   522  C  CB  . LYS   A 1 92  ? -12.092 20.325 15.154  1.000 12.922  0 66  LYS   A CB  1 ? 
ATOM   523  C  CG  . LYS   A 1 92  ? -12.951 21.401 15.742  1.000 13.850  0 66  LYS   A CG  1 ? 
ATOM   524  C  CD  . LYS   A 1 92  ? -12.838 21.403 17.258  1.000 17.151  0 66  LYS   A CD  1 ? 
ATOM   525  C  CE  . LYS   A 1 92  ? -13.570 22.615 17.774  1.000 19.832  0 66  LYS   A CE  1 ? 
ATOM   526  N  NZ  . LYS   A 1 92  ? -13.519 22.545 19.249  1.000 26.738  0 66  LYS   A NZ  1 ? 
ATOM   527  N  N   . ASN   A 1 93  ? -11.052 18.091 12.979  1.000 13.096  0 67  ASN   A N   1 ? 
ATOM   528  C  CA  . ASN   A 1 93  ? -9.930  17.399 12.374  1.000 13.790  0 67  ASN   A CA  1 ? 
ATOM   529  C  C   . ASN   A 1 93  ? -10.045 17.253 10.865  1.000 13.587  0 67  ASN   A C   1 ? 
ATOM   530  O  O   . ASN   A 1 93  ? -9.227  16.573 10.245  1.000 17.477  0 67  ASN   A O   1 ? 
ATOM   531  C  CB  . ASN   A 1 93  ? -9.805  16.017 13.012  1.000 14.995  0 67  ASN   A CB  1 ? 
ATOM   532  C  CG  . ASN   A 1 93  ? -10.946 15.070 12.735  1.000 17.099  0 67  ASN   A CG  1 ? 
ATOM   533  O  OD1 . ASN   A 1 93  ? -11.843 15.326 11.957  1.000 14.904  0 67  ASN   A OD1 1 ? 
ATOM   534  N  ND2 . ASN   A 1 93  ? -10.974 13.940 13.443  1.000 21.189  0 67  ASN   A ND2 1 ? 
ATOM   535  N  N   . GLY   A 1 94  ? -11.081 17.791 10.255  1.000 12.863  0 68  GLY   A N   1 ? 
ATOM   536  C  CA  . GLY   A 1 94  ? -11.243 17.773 8.824   1.000 11.940  0 68  GLY   A CA  1 ? 
ATOM   537  C  C   . GLY   A 1 94  ? -12.042 16.594 8.289   1.000 11.685  0 68  GLY   A C   1 ? 
ATOM   538  O  O   . GLY   A 1 94  ? -12.370 16.554 7.123   1.000 12.544  0 68  GLY   A O   1 ? 
ATOM   539  N  N   . GLN   A 1 95  ? -12.383 15.631 9.152   1.000 12.231  0 69  GLN   A N   1 ? 
ATOM   540  C  CA  . GLN   A 1 95  ? -13.314 14.609 8.743   1.000 12.402  0 69  GLN   A CA  1 ? 
ATOM   541  C  C   . GLN   A 1 95  ? -14.712 15.185 8.554   1.000 12.887  0 69  GLN   A C   1 ? 
ATOM   542  O  O   . GLN   A 1 95  ? -14.989 16.323 9.001   1.000 13.204  0 69  GLN   A O   1 ? 
ATOM   543  C  CB  . GLN   A 1 95  ? -13.330 13.506 9.798   1.000 12.101  0 69  GLN   A CB  1 ? 
ATOM   544  C  CG  . GLN   A 1 95  ? -11.996 12.774 9.926   1.000 15.170  0 69  GLN   A CG  1 ? 
ATOM   545  C  CD  . GLN   A 1 95  ? -11.685 11.959 8.694   1.000 18.576  0 69  GLN   A CD  1 ? 
ATOM   546  O  OE1 . GLN   A 1 95  ? -12.300 10.904 8.423   1.000 22.779  0 69  GLN   A OE1 1 ? 
ATOM   547  N  NE2 . GLN   A 1 95  ? -10.750 12.436 7.906   1.000 19.275  0 69  GLN   A NE2 1 ? 
ATOM   548  N  N   . THR   A 1 96  ? -15.566 14.417 7.892   1.000 11.783  0 70  THR   A N   1 ? 
ATOM   549  C  CA  . THR   A 1 96  ? -16.868 14.909 7.442   1.000 11.775  0 70  THR   A CA  1 ? 
ATOM   550  C  C   . THR   A 1 96  ? -18.027 14.433 8.310   1.000 12.035  0 70  THR   A C   1 ? 
ATOM   551  O  O   . THR   A 1 96  ? -19.180 14.763 8.003   1.000 13.940  0 70  THR   A O   1 ? 
ATOM   552  C  CB  . THR   A 1 96  ? -17.158 14.600 5.974   1.000 14.889  0 70  THR   A CB  1 ? 
ATOM   553  O  OG1 . THR   A 1 96  ? -17.115 13.179 5.856   1.000 16.993  0 70  THR   A OG1 1 ? 
ATOM   554  C  CG2 . THR   A 1 96  ? -16.123 15.281 5.102   1.000 15.950  0 70  THR   A CG2 1 ? 
ATOM   555  N  N   . ASN   A 1 97  ? -17.759 13.589 9.310   1.000 10.604  0 71  ASN   A N   1 ? 
ATOM   556  C  CA  . ASN   A 1 97  ? -18.796 12.901 10.037  1.000 8.777   0 71  ASN   A CA  1 ? 
ATOM   557  C  C   . ASN   A 1 97  ? -19.194 13.556 11.341  1.000 9.225   0 71  ASN   A C   1 ? 
ATOM   558  O  O   . ASN   A 1 97  ? -19.495 12.893 12.324  1.000 10.057  0 71  ASN   A O   1 ? 
ATOM   559  C  CB  . ASN   A 1 97  ? -18.408 11.442 10.306  1.000 9.004   0 71  ASN   A CB  1 ? 
ATOM   560  C  CG  . ASN   A 1 97  ? -17.189 11.326 11.184  1.000 9.907   0 71  ASN   A CG  1 ? 
ATOM   561  O  OD1 . ASN   A 1 97  ? -16.154 11.948 10.913  1.000 13.370  0 71  ASN   A OD1 1 ? 
ATOM   562  N  ND2 . ASN   A 1 97  ? -17.243 10.490 12.222  1.000 10.005  0 71  ASN   A ND2 1 ? 
ATOM   563  N  N   . CYS   A 1 98  ? -19.327 14.878 11.325  1.000 8.432   0 72  CYS   A N   1 ? 
ATOM   564  C  CA  . CYS   A 1 98  ? -19.793 15.583 12.505  1.000 9.113   0 72  CYS   A CA  1 ? 
ATOM   565  C  C   . CYS   A 1 98  ? -21.155 16.203 12.254  1.000 8.512   0 72  CYS   A C   1 ? 
ATOM   566  O  O   . CYS   A 1 98  ? -21.539 16.461 11.105  1.000 8.757   0 72  CYS   A O   1 ? 
ATOM   567  C  CB  . CYS   A 1 98  ? -18.817 16.664 12.928  1.000 9.503   0 72  CYS   A CB  1 ? 
ATOM   568  S  SG  . CYS   A 1 98  ? -17.398 15.980 13.825  1.000 12.994  0 72  CYS   A SG  1 ? 
ATOM   569  N  N   . TYR   A 1 99  ? -21.900 16.397 13.354  1.000 8.634   0 73  TYR   A N   1 ? 
ATOM   570  C  CA  . TYR   A 1 99  ? -23.294 16.781 13.279  1.000 9.505   0 73  TYR   A CA  1 ? 
ATOM   571  C  C   . TYR   A 1 99  ? -23.628 17.741 14.408  1.000 9.194   0 73  TYR   A C   1 ? 
ATOM   572  O  O   . TYR   A 1 99  ? -23.193 17.508 15.542  1.000 9.429   0 73  TYR   A O   1 ? 
ATOM   573  C  CB  . TYR   A 1 99  ? -24.223 15.582 13.382  1.000 9.694   0 73  TYR   A CB  1 ? 
ATOM   574  C  CG  . TYR   A 1 99  ? -23.963 14.609 12.242  1.000 9.956   0 73  TYR   A CG  1 ? 
ATOM   575  C  CD1 . TYR   A 1 99  ? -22.946 13.678 12.363  1.000 10.220  0 73  TYR   A CD1 1 ? 
ATOM   576  C  CD2 . TYR   A 1 99  ? -24.687 14.680 11.060  1.000 10.595  0 73  TYR   A CD2 1 ? 
ATOM   577  C  CE1 . TYR   A 1 99  ? -22.604 12.848 11.312  1.000 11.175  0 73  TYR   A CE1 1 ? 
ATOM   578  C  CE2 . TYR   A 1 99  ? -24.323 13.891 9.993   1.000 11.135  0 73  TYR   A CE2 1 ? 
ATOM   579  C  CZ  . TYR   A 1 99  ? -23.339 12.930 10.147  1.000 11.127  0 73  TYR   A CZ  1 ? 
ATOM   580  O  OH  . TYR   A 1 99  ? -22.961 12.097 9.094   1.000 13.882  0 73  TYR   A OH  1 ? 
ATOM   581  N  N   . GLN   A 1 100 ? -24.312 18.827 14.026  1.000 10.146  0 74  GLN   A N   1 ? 
ATOM   582  C  CA  . GLN   A 1 100 ? -24.667 19.894 14.948  1.000 10.070  0 74  GLN   A CA  1 ? 
ATOM   583  C  C   . GLN   A 1 100 ? -26.160 19.807 15.274  1.000 10.854  0 74  GLN   A C   1 ? 
ATOM   584  O  O   . GLN   A 1 100 ? -26.989 19.650 14.392  1.000 11.434  0 74  GLN   A O   1 ? 
ATOM   585  C  CB  . GLN   A 1 100 ? -24.342 21.213 14.269  1.000 10.681  0 74  GLN   A CB  1 ? 
ATOM   586  C  CG  . GLN   A 1 100 ? -24.596 22.422 15.148  1.000 12.406  0 74  GLN   A CG  1 ? 
ATOM   587  C  CD  . GLN   A 1 100 ? -24.046 23.698 14.545  1.000 16.280  0 74  GLN   A CD  1 ? 
ATOM   588  O  OE1 . GLN   A 1 100 ? -22.888 23.788 14.131  1.000 18.462  0 74  GLN   A OE1 1 ? 
ATOM   589  N  NE2 . GLN   A 1 100 ? -24.847 24.736 14.552  1.000 18.072  0 74  GLN   A NE2 1 ? 
ATOM   590  N  N   . SER   A 1 101 ? -26.485 19.895 16.561  1.000 10.824  0 75  SER   A N   1 ? 
ATOM   591  C  CA  . SER   A 1 101 ? -27.868 19.841 16.998  1.000 11.046  0 75  SER   A CA  1 ? 
ATOM   592  C  C   . SER   A 1 101 ? -28.609 21.078 16.490  1.000 11.066  0 75  SER   A C   1 ? 
ATOM   593  O  O   . SER   A 1 101 ? -28.115 22.177 16.565  1.000 11.603  0 75  SER   A O   1 ? 
ATOM   594  C  CB  . SER   A 1 101 ? -27.931 19.693 18.511  1.000 12.196  0 75  SER   A CB  1 ? 
ATOM   595  O  OG  . SER   A 1 101 ? -27.432 20.830 19.203  1.000 12.540  0 75  SER   A OG  1 ? 
ATOM   596  N  N   . TYR   A 1 102 ? -29.851 20.884 16.028  1.000 11.323  0 76  TYR   A N   1 ? 
ATOM   597  C  CA  . TYR   A 1 102 ? -30.692 22.000 15.609  1.000 12.000  0 76  TYR   A CA  1 ? 
ATOM   598  C  C   . TYR   A 1 102 ? -31.175 22.797 16.821  1.000 13.447  0 76  TYR   A C   1 ? 
ATOM   599  O  O   . TYR   A 1 102 ? -31.223 24.016 16.751  1.000 15.767  0 76  TYR   A O   1 ? 
ATOM   600  C  CB  . TYR   A 1 102 ? -31.913 21.553 14.825  1.000 12.530  0 76  TYR   A CB  1 ? 
ATOM   601  C  CG  . TYR   A 1 102 ? -31.550 20.927 13.505  1.000 11.499  0 76  TYR   A CG  1 ? 
ATOM   602  C  CD1 . TYR   A 1 102 ? -30.948 21.716 12.541  1.000 10.707  0 76  TYR   A CD1 1 ? 
ATOM   603  C  CD2 . TYR   A 1 102 ? -31.867 19.634 13.156  1.000 10.263  0 76  TYR   A CD2 1 ? 
ATOM   604  C  CE1 . TYR   A 1 102 ? -30.620 21.203 11.310  1.000 9.834   0 76  TYR   A CE1 1 ? 
ATOM   605  C  CE2 . TYR   A 1 102 ? -31.560 19.127 11.899  1.000 10.509  0 76  TYR   A CE2 1 ? 
ATOM   606  C  CZ  . TYR   A 1 102 ? -30.939 19.909 10.964  1.000 9.602   0 76  TYR   A CZ  1 ? 
ATOM   607  O  OH  . TYR   A 1 102 ? -30.586 19.388 9.769   1.000 12.129  0 76  TYR   A OH  1 ? 
ATOM   608  N  N   A SER   A 1 103 ? -31.442 22.104 17.920  0.500 14.826  0 77  SER   A N   1 ? 
ATOM   609  N  N   B SER   A 1 103 ? -31.454 22.093 17.915  0.500 13.738  0 77  SER   A N   1 ? 
ATOM   610  C  CA  A SER   A 1 103 ? -31.812 22.785 19.152  0.500 16.526  0 77  SER   A CA  1 ? 
ATOM   611  C  CA  B SER   A 1 103 ? -31.837 22.727 19.172  0.500 14.496  0 77  SER   A CA  1 ? 
ATOM   612  C  C   A SER   A 1 103 ? -30.585 22.971 20.035  0.500 16.538  0 77  SER   A C   1 ? 
ATOM   613  C  C   B SER   A 1 103 ? -30.595 22.968 20.030  0.500 15.458  0 77  SER   A C   1 ? 
ATOM   614  O  O   A SER   A 1 103 ? -29.627 22.211 19.963  0.500 16.840  0 77  SER   A O   1 ? 
ATOM   615  O  O   B SER   A 1 103 ? -29.621 22.230 19.943  0.500 15.881  0 77  SER   A O   1 ? 
ATOM   616  C  CB  A SER   A 1 103 ? -32.895 22.056 19.878  0.500 19.025  0 77  SER   A CB  1 ? 
ATOM   617  C  CB  B SER   A 1 103 ? -32.836 21.879 19.907  0.500 15.530  0 77  SER   A CB  1 ? 
ATOM   618  O  OG  A SER   A 1 103 ? -32.513 20.737 20.250  0.500 20.977  0 77  SER   A OG  1 ? 
ATOM   619  O  OG  B SER   A 1 103 ? -34.051 21.663 19.186  0.500 14.544  0 77  SER   A OG  1 ? 
ATOM   620  N  N   . THR   A 1 104 ? -30.651 23.970 20.912  1.000 16.393  0 78  THR   A N   1 ? 
ATOM   621  C  CA  . THR   A 1 104 ? -29.678 24.087 21.989  1.000 17.010  0 78  THR   A CA  1 ? 
ATOM   622  C  C   . THR   A 1 104 ? -29.943 22.996 23.024  1.000 15.859  0 78  THR   A C   1 ? 
ATOM   623  O  O   . THR   A 1 104 ? -31.021 22.416 23.148  1.000 17.256  0 78  THR   A O   1 ? 
ATOM   624  C  CB  . THR   A 1 104 ? -29.668 25.471 22.634  1.000 20.583  0 78  THR   A CB  1 ? 
ATOM   625  O  OG1 . THR   A 1 104 ? -30.851 25.570 23.435  1.000 21.862  0 78  THR   A OG1 1 ? 
ATOM   626  C  CG2 . THR   A 1 104 ? -29.555 26.574 21.600  1.000 21.149  0 78  THR   A CG2 1 ? 
ATOM   627  N  N   . MET   A 1 105 ? -28.857 22.636 23.699  1.000 15.075  0 79  MET   A N   1 ? 
ATOM   628  C  CA  . MET   A 1 105 ? -28.858 21.601 24.709  1.000 15.502  0 79  MET   A CA  1 ? 
ATOM   629  C  C   . MET   A 1 105 ? -28.142 22.116 25.944  1.000 16.100  0 79  MET   A C   1 ? 
ATOM   630  O  O   . MET   A 1 105 ? -27.254 22.967 25.885  1.000 14.195  0 79  MET   A O   1 ? 
ATOM   631  C  CB  . MET   A 1 105 ? -28.178 20.311 24.233  1.000 15.932  0 79  MET   A CB  1 ? 
ATOM   632  C  CG  . MET   A 1 105 ? -28.947 19.622 23.114  1.000 15.554  0 79  MET   A CG  1 ? 
ATOM   633  S  SD  . MET   A 1 105 ? -28.209 18.019 22.738  1.000 16.735  0 79  MET   A SD  1 ? 
ATOM   634  C  CE  . MET   A 1 105 ? -29.416 17.440 21.539  1.000 16.557  0 79  MET   A CE  1 ? 
ATOM   635  N  N   . SER   A 1 106 ? -28.604 21.599 27.083  1.000 15.928  0 80  SER   A N   1 ? 
ATOM   636  C  CA  . SER   A 1 106 ? -27.987 21.907 28.366  1.000 17.504  0 80  SER   A CA  1 ? 
ATOM   637  C  C   . SER   A 1 106 ? -26.687 21.117 28.472  1.000 16.711  0 80  SER   A C   1 ? 
ATOM   638  O  O   . SER   A 1 106 ? -26.719 19.893 28.365  1.000 17.359  0 80  SER   A O   1 ? 
ATOM   639  C  CB  . SER   A 1 106 ? -28.940 21.549 29.461  1.000 17.038  0 80  SER   A CB  1 ? 
ATOM   640  O  OG  . SER   A 1 106 ? -28.298 21.730 30.732  1.000 19.046  0 80  SER   A OG  1 ? 
ATOM   641  N  N   . ILE   A 1 107 ? -25.580 21.826 28.668  1.000 16.133  0 81  ILE   A N   1 ? 
ATOM   642  C  CA  . ILE   A 1 107 ? -24.274 21.180 28.797  1.000 17.779  0 81  ILE   A CA  1 ? 
ATOM   643  C  C   . ILE   A 1 107 ? -23.517 21.747 29.997  1.000 19.724  0 81  ILE   A C   1 ? 
ATOM   644  O  O   . ILE   A 1 107 ? -23.807 22.866 30.473  1.000 21.639  0 81  ILE   A O   1 ? 
ATOM   645  C  CB  . ILE   A 1 107 ? -23.482 21.344 27.496  1.000 17.864  0 81  ILE   A CB  1 ? 
ATOM   646  C  CG1 . ILE   A 1 107 ? -23.148 22.817 27.193  1.000 19.225  0 81  ILE   A CG1 1 ? 
ATOM   647  C  CG2 . ILE   A 1 107 ? -24.274 20.690 26.359  1.000 18.166  0 81  ILE   A CG2 1 ? 
ATOM   648  C  CD1 . ILE   A 1 107 ? -22.177 23.006 26.048  1.000 22.073  0 81  ILE   A CD1 1 ? 
ATOM   649  N  N   . THR   A 1 108 ? -22.478 21.018 30.418  1.000 19.458  0 82  THR   A N   1 ? 
ATOM   650  C  CA  . THR   A 1 108 ? -21.502 21.533 31.362  1.000 18.345  0 82  THR   A CA  1 ? 
ATOM   651  C  C   . THR   A 1 108 ? -20.111 21.357 30.758  1.000 17.233  0 82  THR   A C   1 ? 
ATOM   652  O  O   . THR   A 1 108 ? -19.748 20.258 30.349  1.000 17.437  0 82  THR   A O   1 ? 
ATOM   653  C  CB  . THR   A 1 108 ? -21.616 20.824 32.710  1.000 20.836  0 82  THR   A CB  1 ? 
ATOM   654  O  OG1 . THR   A 1 108 ? -22.942 21.014 33.218  1.000 19.116  0 82  THR   A OG1 1 ? 
ATOM   655  C  CG2 . THR   A 1 108 ? -20.573 21.369 33.671  1.000 24.338  0 82  THR   A CG2 1 ? 
ATOM   656  N  N   . ASP   A 1 109 ? -19.358 22.445 30.610  1.000 18.212  0 83  ASP   A N   1 ? 
ATOM   657  C  CA  . ASP   A 1 109 ? -17.963 22.376 30.205  1.000 21.285  0 83  ASP   A CA  1 ? 
ATOM   658  C  C   . ASP   A 1 109 ? -17.065 22.275 31.440  1.000 22.011  0 83  ASP   A C   1 ? 
ATOM   659  O  O   . ASP   A 1 109 ? -17.234 23.047 32.389  1.000 19.429  0 83  ASP   A O   1 ? 
ATOM   660  C  CB  . ASP   A 1 109 ? -17.551 23.609 29.416  1.000 27.986  0 83  ASP   A CB  1 ? 
ATOM   661  C  CG  . ASP   A 1 109 ? -18.131 23.694 28.012  1.000 34.120  0 83  ASP   A CG  1 ? 
ATOM   662  O  OD1 . ASP   A 1 109 ? -18.431 22.631 27.420  1.000 36.547  0 83  ASP   A OD1 1 ? 
ATOM   663  O  OD2 . ASP   A 1 109 ? -18.285 24.827 27.509  1.000 41.111  0 83  ASP   A OD2 1 ? 
ATOM   664  N  N   . CYS   A 1 110 ? -16.133 21.311 31.420  1.000 18.755  0 84  CYS   A N   1 ? 
ATOM   665  C  CA  . CYS   A 1 110 ? -15.109 21.181 32.440  1.000 20.968  0 84  CYS   A CA  1 ? 
ATOM   666  C  C   . CYS   A 1 110 ? -13.755 21.507 31.834  1.000 22.765  0 84  CYS   A C   1 ? 
ATOM   667  O  O   . CYS   A 1 110 ? -13.380 20.938 30.806  1.000 22.508  0 84  CYS   A O   1 ? 
ATOM   668  C  CB  . CYS   A 1 110 ? -15.072 19.762 32.967  1.000 20.735  0 84  CYS   A CB  1 ? 
ATOM   669  S  SG  . CYS   A 1 110 ? -16.671 19.204 33.577  1.000 20.556  0 84  CYS   A SG  1 ? 
ATOM   670  N  N   . ARG   A 1 111 ? -13.044 22.455 32.458  1.000 24.891  0 85  ARG   A N   1 ? 
ATOM   671  C  CA  . ARG   A 1 111 ? -11.745 22.890 31.971  1.000 28.055  0 85  ARG   A CA  1 ? 
ATOM   672  C  C   . ARG   A 1 111 ? -10.777 22.925 33.149  1.000 29.118  0 85  ARG   A C   1 ? 
ATOM   673  O  O   . ARG   A 1 111 ? -11.080 23.538 34.180  1.000 26.306  0 85  ARG   A O   1 ? 
ATOM   674  C  CB  . ARG   A 1 111 ? -11.741 24.281 31.326  1.000 35.177  0 85  ARG   A CB  1 ? 
ATOM   675  C  CG  . ARG   A 1 111 ? -10.335 24.651 30.855  1.000 40.080  0 85  ARG   A CG  1 ? 
ATOM   676  C  CD  . ARG   A 1 111 ? -10.260 25.842 29.914  1.000 44.119  0 85  ARG   A CD  1 ? 
ATOM   677  N  NE  . ARG   A 1 111 ? -11.301 25.728 28.885  1.000 49.641  0 85  ARG   A NE  1 ? 
ATOM   678  C  CZ  . ARG   A 1 111 ? -11.166 25.340 27.618  1.000 53.408  0 85  ARG   A CZ  1 ? 
ATOM   679  N  NH1 . ARG   A 1 111 ? -9.969  25.167 27.075  1.000 54.186  0 85  ARG   A NH1 1 ? 
ATOM   680  N  NH2 . ARG   A 1 111 ? -12.259 25.158 26.886  1.000 55.131  0 85  ARG   A NH2 1 ? 
ATOM   681  N  N   . GLU   A 1 112 ? -9.648  22.229 32.974  1.000 30.682  0 86  GLU   A N   1 ? 
ATOM   682  C  CA  . GLU   A 1 112 ? -8.643  22.066 34.018  1.000 33.138  0 86  GLU   A CA  1 ? 
ATOM   683  C  C   . GLU   A 1 112 ? -8.120  23.450 34.408  1.000 34.041  0 86  GLU   A C   1 ? 
ATOM   684  O  O   . GLU   A 1 112 ? -7.902  24.290 33.536  1.000 34.389  0 86  GLU   A O   1 ? 
ATOM   685  C  CB  . GLU   A 1 112 ? -7.562  21.117 33.493  1.000 35.233  0 86  GLU   A CB  1 ? 
ATOM   686  C  CG  . GLU   A 1 112 ? -6.455  20.833 34.507  1.000 36.415  0 86  GLU   A CG  1 ? 
ATOM   687  C  CD  . GLU   A 1 112 ? -5.325  19.947 34.013  1.000 36.443  0 86  GLU   A CD  1 ? 
ATOM   688  O  OE1 . GLU   A 1 112 ? -4.693  19.279 34.861  1.000 35.932  0 86  GLU   A OE1 1 ? 
ATOM   689  O  OE2 . GLU   A 1 112 ? -5.085  19.936 32.781  1.000 35.219  0 86  GLU   A OE2 1 ? 
ATOM   690  N  N   . THR   A 1 113 ? -7.953  23.688 35.719  1.000 33.213  0 87  THR   A N   1 ? 
ATOM   691  C  CA  . THR   A 1 113 ? -7.393  24.945 36.214  1.000 38.779  0 87  THR   A CA  1 ? 
ATOM   692  C  C   . THR   A 1 113 ? -5.887  24.991 35.930  1.000 41.657  0 87  THR   A C   1 ? 
ATOM   693  O  O   . THR   A 1 113 ? -5.249  23.969 35.672  1.000 40.163  0 87  THR   A O   1 ? 
ATOM   694  C  CB  . THR   A 1 113 ? -7.649  25.097 37.715  1.000 39.277  0 87  THR   A CB  1 ? 
ATOM   695  O  OG1 . THR   A 1 113 ? -6.966  24.002 38.320  1.000 37.632  0 87  THR   A OG1 1 ? 
ATOM   696  C  CG2 . THR   A 1 113 ? -9.119  25.073 38.089  1.000 40.536  0 87  THR   A CG2 1 ? 
ATOM   697  N  N   . GLY   A 1 114 ? -5.310  26.197 35.988  1.000 46.266  0 88  GLY   A N   1 ? 
ATOM   698  C  CA  . GLY   A 1 114 ? -3.876  26.383 35.806  1.000 48.696  0 88  GLY   A CA  1 ? 
ATOM   699  C  C   . GLY   A 1 114 ? -3.054  25.717 36.913  1.000 48.973  0 88  GLY   A C   1 ? 
ATOM   700  O  O   . GLY   A 1 114 ? -1.931  25.286 36.660  1.000 54.107  0 88  GLY   A O   1 ? 
ATOM   701  N  N   . SER   A 1 115 ? -3.640  25.608 38.115  1.000 44.988  0 89  SER   A N   1 ? 
ATOM   702  C  CA  . SER   A 1 115 ? -2.972  25.097 39.305  1.000 50.197  0 89  SER   A CA  1 ? 
ATOM   703  C  C   . SER   A 1 115 ? -3.221  23.601 39.520  1.000 51.199  0 89  SER   A C   1 ? 
ATOM   704  O  O   . SER   A 1 115 ? -2.838  23.047 40.551  1.000 43.707  0 89  SER   A O   1 ? 
ATOM   705  C  CB  . SER   A 1 115 ? -3.459  25.853 40.497  1.000 51.750  0 89  SER   A CB  1 ? 
ATOM   706  O  OG  . SER   A 1 115 ? -4.795  25.465 40.780  1.000 58.800  0 89  SER   A OG  1 ? 
ATOM   707  N  N   . SER   A 1 116 ? -3.905  22.959 38.563  1.000 45.067  0 90  SER   A N   1 ? 
ATOM   708  C  CA  . SER   A 1 116 ? -4.286  21.562 38.672  1.000 40.860  0 90  SER   A CA  1 ? 
ATOM   709  C  C   . SER   A 1 116 ? -3.051  20.693 38.472  1.000 36.130  0 90  SER   A C   1 ? 
ATOM   710  O  O   . SER   A 1 116 ? -2.350  20.850 37.470  1.000 37.811  0 90  SER   A O   1 ? 
ATOM   711  C  CB  . SER   A 1 116 ? -5.380  21.217 37.661  1.000 36.686  0 90  SER   A CB  1 ? 
ATOM   712  O  OG  . SER   A 1 116 ? -5.457  19.817 37.427  1.000 35.125  0 90  SER   A OG  1 ? 
ATOM   713  N  N   . LYS   A 1 117 ? -2.815  19.773 39.417  1.000 34.862  0 91  LYS   A N   1 ? 
ATOM   714  C  CA  . LYS   A 1 117 ? -1.673  18.875 39.340  1.000 36.884  0 91  LYS   A CA  1 ? 
ATOM   715  C  C   . LYS   A 1 117 ? -2.125  17.438 39.549  1.000 31.636  0 91  LYS   A C   1 ? 
ATOM   716  O  O   . LYS   A 1 117 ? -2.600  17.067 40.632  1.000 35.275  0 91  LYS   A O   1 ? 
ATOM   717  C  CB  . LYS   A 1 117 ? -0.580  19.234 40.360  1.000 40.241  0 91  LYS   A CB  1 ? 
ATOM   718  C  CG  . LYS   A 1 117 ? 0.109   20.595 40.115  1.000 40.005  0 91  LYS   A CG  1 ? 
ATOM   719  C  CD  . LYS   A 1 117 ? 0.956   20.647 38.847  1.000 43.841  0 91  LYS   A CD  1 ? 
ATOM   720  C  CE  . LYS   A 1 117 ? 1.524   22.016 38.553  1.000 46.827  0 91  LYS   A CE  1 ? 
ATOM   721  N  NZ  . LYS   A 1 117 ? 2.079   22.066 37.191  1.000 45.003  0 91  LYS   A NZ  1 ? 
ATOM   722  N  N   . TYR   A 1 118 ? -1.967  16.650 38.480  1.000 30.927  0 92  TYR   A N   1 ? 
ATOM   723  C  CA  . TYR   A 1 118 ? -2.202  15.223 38.527  1.000 36.685  0 92  TYR   A CA  1 ? 
ATOM   724  C  C   . TYR   A 1 118 ? -1.422  14.672 39.717  1.000 39.222  0 92  TYR   A C   1 ? 
ATOM   725  O  O   . TYR   A 1 118 ? -0.250  15.008 39.859  1.000 36.492  0 92  TYR   A O   1 ? 
ATOM   726  C  CB  . TYR   A 1 118 ? -1.744  14.560 37.229  1.000 38.721  0 92  TYR   A CB  1 ? 
ATOM   727  C  CG  . TYR   A 1 118 ? -1.969  13.057 37.232  1.000 44.481  0 92  TYR   A CG  1 ? 
ATOM   728  C  CD1 . TYR   A 1 118 ? -1.007  12.186 37.737  1.000 42.078  0 92  TYR   A CD1 1 ? 
ATOM   729  C  CD2 . TYR   A 1 118 ? -3.160  12.510 36.764  1.000 44.362  0 92  TYR   A CD2 1 ? 
ATOM   730  C  CE1 . TYR   A 1 118 ? -1.220  10.816 37.759  1.000 45.626  0 92  TYR   A CE1 1 ? 
ATOM   731  C  CE2 . TYR   A 1 118 ? -3.388  11.143 36.792  1.000 46.282  0 92  TYR   A CE2 1 ? 
ATOM   732  C  CZ  . TYR   A 1 118 ? -2.411  10.293 37.281  1.000 49.996  0 92  TYR   A CZ  1 ? 
ATOM   733  O  OH  . TYR   A 1 118 ? -2.625  8.945  37.295  1.000 48.011  0 92  TYR   A OH  1 ? 
ATOM   734  N  N   . PRO   A 1 119 ? -1.998  13.787 40.563  1.000 40.766  0 93  PRO   A N   1 ? 
ATOM   735  C  CA  . PRO   A 1 119 ? -3.342  13.226 40.356  1.000 42.965  0 93  PRO   A CA  1 ? 
ATOM   736  C  C   . PRO   A 1 119 ? -4.534  14.015 40.897  1.000 39.782  0 93  PRO   A C   1 ? 
ATOM   737  O  O   . PRO   A 1 119 ? -5.671  13.560 40.785  1.000 40.612  0 93  PRO   A O   1 ? 
ATOM   738  C  CB  . PRO   A 1 119 ? -3.184  11.888 41.099  1.000 44.734  0 93  PRO   A CB  1 ? 
ATOM   739  C  CG  . PRO   A 1 119 ? -2.359  12.260 42.308  1.000 44.779  0 93  PRO   A CG  1 ? 
ATOM   740  C  CD  . PRO   A 1 119 ? -1.332  13.224 41.751  1.000 45.061  0 93  PRO   A CD  1 ? 
ATOM   741  N  N   . ASN   A 1 120 ? -4.289  15.192 41.478  1.000 37.090  0 94  ASN   A N   1 ? 
ATOM   742  C  CA  . ASN   A 1 120 ? -5.367  15.987 42.041  1.000 41.984  0 94  ASN   A CA  1 ? 
ATOM   743  C  C   . ASN   A 1 120 ? -5.891  16.944 40.984  1.000 38.383  0 94  ASN   A C   1 ? 
ATOM   744  O  O   . ASN   A 1 120 ? -5.586  18.139 41.003  1.000 36.325  0 94  ASN   A O   1 ? 
ATOM   745  C  CB  . ASN   A 1 120 ? -4.929  16.740 43.288  1.000 43.410  0 94  ASN   A CB  1 ? 
ATOM   746  C  CG  . ASN   A 1 120 ? -4.534  15.763 44.359  1.000 49.074  0 94  ASN   A CG  1 ? 
ATOM   747  O  OD1 . ASN   A 1 120 ? -3.340  15.604 44.633  1.000 55.079  0 94  ASN   A OD1 1 ? 
ATOM   748  N  ND2 . ASN   A 1 120 ? -5.513  15.058 44.908  1.000 50.809  0 94  ASN   A ND2 1 ? 
ATOM   749  N  N   . CYS   A 1 121 ? -6.699  16.397 40.071  1.000 37.716  0 95  CYS   A N   1 ? 
ATOM   750  C  CA  . CYS   A 1 121 ? -7.135  17.166 38.922  1.000 33.036  0 95  CYS   A CA  1 ? 
ATOM   751  C  C   . CYS   A 1 121 ? -8.248  18.113 39.365  1.000 29.222  0 95  CYS   A C   1 ? 
ATOM   752  O  O   . CYS   A 1 121 ? -9.157  17.724 40.083  1.000 34.613  0 95  CYS   A O   1 ? 
ATOM   753  C  CB  . CYS   A 1 121 ? -7.499  16.239 37.769  1.000 33.845  0 95  CYS   A CB  1 ? 
ATOM   754  S  SG  . CYS   A 1 121 ? -6.111  15.212 37.212  1.000 33.355  0 95  CYS   A SG  1 ? 
ATOM   755  N  N   . ALA   A 1 122 ? -8.144  19.362 38.923  1.000 28.860  0 96  ALA   A N   1 ? 
ATOM   756  C  CA  . ALA   A 1 122 ? -9.033  20.424 39.356  1.000 30.087  0 96  ALA   A CA  1 ? 
ATOM   757  C  C   . ALA   A 1 122 ? -9.596  21.126 38.125  1.000 27.149  0 96  ALA   A C   1 ? 
ATOM   758  O  O   . ALA   A 1 122 ? -8.860  21.358 37.152  1.000 25.494  0 96  ALA   A O   1 ? 
ATOM   759  C  CB  . ALA   A 1 122 ? -8.287  21.391 40.249  1.000 33.815  0 96  ALA   A CB  1 ? 
ATOM   760  N  N   . TYR   A 1 123 ? -10.913 21.380 38.180  1.000 25.839  0 97  TYR   A N   1 ? 
ATOM   761  C  CA  . TYR   A 1 123 ? -11.659 21.853 37.019  1.000 24.947  0 97  TYR   A CA  1 ? 
ATOM   762  C  C   . TYR   A 1 123 ? -12.553 23.044 37.349  1.000 24.281  0 97  TYR   A C   1 ? 
ATOM   763  O  O   . TYR   A 1 123 ? -13.126 23.137 38.426  1.000 24.604  0 97  TYR   A O   1 ? 
ATOM   764  C  CB  . TYR   A 1 123 ? -12.530 20.709 36.489  1.000 22.458  0 97  TYR   A CB  1 ? 
ATOM   765  C  CG  . TYR   A 1 123 ? -11.714 19.604 35.855  1.000 20.173  0 97  TYR   A CG  1 ? 
ATOM   766  C  CD1 . TYR   A 1 123 ? -11.294 19.731 34.550  1.000 20.176  0 97  TYR   A CD1 1 ? 
ATOM   767  C  CD2 . TYR   A 1 123 ? -11.280 18.503 36.583  1.000 20.574  0 97  TYR   A CD2 1 ? 
ATOM   768  C  CE1 . TYR   A 1 123 ? -10.525 18.745 33.953  1.000 19.815  0 97  TYR   A CE1 1 ? 
ATOM   769  C  CE2 . TYR   A 1 123 ? -10.515 17.509 35.998  1.000 21.986  0 97  TYR   A CE2 1 ? 
ATOM   770  C  CZ  . TYR   A 1 123 ? -10.083 17.666 34.693  1.000 22.288  0 97  TYR   A CZ  1 ? 
ATOM   771  O  OH  . TYR   A 1 123 ? -9.320  16.710 34.079  1.000 25.676  0 97  TYR   A OH  1 ? 
ATOM   772  N  N   . LYS   A 1 124 ? -12.662 23.968 36.396  1.000 28.306  0 98  LYS   A N   1 ? 
ATOM   773  C  CA  . LYS   A 1 124 ? -13.716 24.974 36.425  1.000 27.795  0 98  LYS   A CA  1 ? 
ATOM   774  C  C   . LYS   A 1 124 ? -14.962 24.402 35.740  1.000 28.405  0 98  LYS   A C   1 ? 
ATOM   775  O  O   . LYS   A 1 124 ? -14.854 23.905 34.615  1.000 30.599  0 98  LYS   A O   1 ? 
ATOM   776  C  CB  . LYS   A 1 124 ? -13.124 26.180 35.698  1.000 31.627  0 98  LYS   A CB  1 ? 
ATOM   777  C  CG  . LYS   A 1 124 ? -14.051 27.333 35.403  1.000 38.174  0 98  LYS   A CG  1 ? 
ATOM   778  C  CD  . LYS   A 1 124 ? -13.347 28.500 34.711  1.000 45.732  0 98  LYS   A CD  1 ? 
ATOM   779  C  CE  . LYS   A 1 124 ? -12.487 28.166 33.513  1.000 47.546  0 98  LYS   A CE  1 ? 
ATOM   780  N  NZ  . LYS   A 1 124 ? -13.249 27.687 32.352  1.000 50.960  0 98  LYS   A NZ  1 ? 
ATOM   781  N  N   . THR   A 1 125 ? -16.105 24.468 36.437  1.000 28.336  0 99  THR   A N   1 ? 
ATOM   782  C  CA  . THR   A 1 125 ? -17.413 24.024 35.961  1.000 26.231  0 99  THR   A CA  1 ? 
ATOM   783  C  C   . THR   A 1 125 ? -18.178 25.203 35.358  1.000 30.237  0 99  THR   A C   1 ? 
ATOM   784  O  O   . THR   A 1 125 ? -18.531 26.128 36.091  1.000 27.162  0 99  THR   A O   1 ? 
ATOM   785  C  CB  . THR   A 1 125 ? -18.191 23.418 37.137  1.000 25.640  0 99  THR   A CB  1 ? 
ATOM   786  O  OG1 . THR   A 1 125 ? -17.511 22.277 37.664  1.000 26.902  0 99  THR   A OG1 1 ? 
ATOM   787  C  CG2 . THR   A 1 125 ? -19.612 23.017 36.781  1.000 25.702  0 99  THR   A CG2 1 ? 
ATOM   788  N  N   . THR   A 1 126 ? -18.475 25.159 34.043  1.000 25.276  0 100 THR   A N   1 ? 
ATOM   789  C  CA  . THR   A 1 126 ? -19.324 26.163 33.409  1.000 28.195  0 100 THR   A CA  1 ? 
ATOM   790  C  C   . THR   A 1 126 ? -20.540 25.507 32.768  1.000 27.157  0 100 THR   A C   1 ? 
ATOM   791  O  O   . THR   A 1 126 ? -20.416 24.640 31.899  1.000 28.009  0 100 THR   A O   1 ? 
ATOM   792  C  CB  . THR   A 1 126 ? -18.570 26.943 32.346  1.000 30.959  0 100 THR   A CB  1 ? 
ATOM   793  O  OG1 . THR   A 1 126 ? -17.380 27.400 32.981  1.000 38.783  0 100 THR   A OG1 1 ? 
ATOM   794  C  CG2 . THR   A 1 126 ? -19.362 28.141 31.841  1.000 35.030  0 100 THR   A CG2 1 ? 
ATOM   795  N  N   . GLN   A 1 127 ? -21.701 26.019 33.123  1.000 23.782  0 101 GLN   A N   1 ? 
ATOM   796  C  CA  . GLN   A 1 127 ? -22.974 25.585 32.568  1.000 22.594  0 101 GLN   A CA  1 ? 
ATOM   797  C  C   . GLN   A 1 127 ? -23.302 26.464 31.367  1.000 23.357  0 101 GLN   A C   1 ? 
ATOM   798  O  O   . GLN   A 1 127 ? -23.014 27.646 31.370  1.000 25.318  0 101 GLN   A O   1 ? 
ATOM   799  C  CB  . GLN   A 1 127 ? -24.111 25.706 33.581  1.000 28.103  0 101 GLN   A CB  1 ? 
ATOM   800  C  CG  . GLN   A 1 127 ? -25.488 25.385 33.008  1.000 34.197  0 101 GLN   A CG  1 ? 
ATOM   801  C  CD  . GLN   A 1 127 ? -25.628 23.982 32.450  1.000 34.060  0 101 GLN   A CD  1 ? 
ATOM   802  O  OE1 . GLN   A 1 127 ? -26.529 23.690 31.649  1.000 32.259  0 101 GLN   A OE1 1 ? 
ATOM   803  N  NE2 . GLN   A 1 127 ? -24.763 23.087 32.904  1.000 31.697  0 101 GLN   A NE2 1 ? 
ATOM   804  N  N   . ALA   A 1 128 ? -23.862 25.861 30.320  1.000 20.113  0 102 ALA   A N   1 ? 
ATOM   805  C  CA  . ALA   A 1 128 ? -24.266 26.591 29.124  1.000 21.244  0 102 ALA   A CA  1 ? 
ATOM   806  C  C   . ALA   A 1 128 ? -25.446 25.894 28.460  1.000 18.687  0 102 ALA   A C   1 ? 
ATOM   807  O  O   . ALA   A 1 128 ? -25.780 24.752 28.797  1.000 18.527  0 102 ALA   A O   1 ? 
ATOM   808  C  CB  . ALA   A 1 128 ? -23.105 26.732 28.146  1.000 24.575  0 102 ALA   A CB  1 ? 
ATOM   809  N  N   . ASN   A 1 129 ? -26.120 26.651 27.576  1.000 19.055  0 103 ASN   A N   1 ? 
ATOM   810  C  CA  . ASN   A 1 129 ? -27.111 26.098 26.662  1.000 19.850  0 103 ASN   A CA  1 ? 
ATOM   811  C  C   . ASN   A 1 129 ? -26.660 26.404 25.246  1.000 19.722  0 103 ASN   A C   1 ? 
ATOM   812  O  O   . ASN   A 1 129 ? -26.739 27.542 24.801  1.000 20.476  0 103 ASN   A O   1 ? 
ATOM   813  C  CB  . ASN   A 1 129 ? -28.535 26.614 26.914  1.000 22.267  0 103 ASN   A CB  1 ? 
ATOM   814  C  CG  . ASN   A 1 129 ? -29.017 26.093 28.236  1.000 23.176  0 103 ASN   A CG  1 ? 
ATOM   815  O  OD1 . ASN   A 1 129 ? -29.624 25.011 28.319  1.000 27.660  0 103 ASN   A OD1 1 ? 
ATOM   816  N  ND2 . ASN   A 1 129 ? -28.630 26.800 29.280  1.000 26.534  0 103 ASN   A ND2 1 ? 
ATOM   817  N  N   . LYS   A 1 130 ? -26.208 25.368 24.534  1.000 15.951  0 104 LYS   A N   1 ? 
ATOM   818  C  CA  . LYS   A 1 130 ? -25.519 25.576 23.279  1.000 15.490  0 104 LYS   A CA  1 ? 
ATOM   819  C  C   . LYS   A 1 130 ? -25.863 24.445 22.328  1.000 13.533  0 104 LYS   A C   1 ? 
ATOM   820  O  O   . LYS   A 1 130 ? -26.319 23.395 22.728  1.000 13.923  0 104 LYS   A O   1 ? 
ATOM   821  C  CB  . LYS   A 1 130 ? -24.003 25.653 23.434  1.000 17.432  0 104 LYS   A CB  1 ? 
ATOM   822  C  CG  . LYS   A 1 130 ? -23.554 26.928 24.192  1.000 19.125  0 104 LYS   A CG  1 ? 
ATOM   823  C  CD  . LYS   A 1 130 ? -22.060 27.068 24.411  1.000 23.409  0 104 LYS   A CD  1 ? 
ATOM   824  C  CE  . LYS   A 1 130 ? -21.339 27.435 23.178  1.000 29.859  0 104 LYS   A CE  1 ? 
ATOM   825  N  NZ  . LYS   A 1 130 ? -19.901 27.595 23.435  1.000 35.907  0 104 LYS   A NZ  1 ? 
ATOM   826  N  N   . HIS   A 1 131 ? -25.646 24.694 21.038  1.000 14.659  0 105 HIS   A N   1 ? 
ATOM   827  C  CA  . HIS   A 1 131 ? -25.753 23.607 20.087  1.000 14.182  0 105 HIS   A CA  1 ? 
ATOM   828  C  C   . HIS   A 1 131 ? -24.502 22.756 20.193  1.000 15.276  0 105 HIS   A C   1 ? 
ATOM   829  O  O   . HIS   A 1 131 ? -23.389 23.259 20.272  1.000 17.352  0 105 HIS   A O   1 ? 
ATOM   830  C  CB  . HIS   A 1 131 ? -25.834 24.124 18.654  1.000 16.078  0 105 HIS   A CB  1 ? 
ATOM   831  C  CG  . HIS   A 1 131 ? -26.960 25.079 18.433  1.000 15.884  0 105 HIS   A CG  1 ? 
ATOM   832  N  ND1 . HIS   A 1 131 ? -28.259 24.720 18.168  1.000 17.718  0 105 HIS   A ND1 1 ? 
ATOM   833  C  CD2 . HIS   A 1 131 ? -26.963 26.395 18.583  1.000 19.072  0 105 HIS   A CD2 1 ? 
ATOM   834  C  CE1 . HIS   A 1 131 ? -29.011 25.817 18.138  1.000 17.974  0 105 HIS   A CE1 1 ? 
ATOM   835  N  NE2 . HIS   A 1 131 ? -28.250 26.835 18.335  1.000 20.208  0 105 HIS   A NE2 1 ? 
ATOM   836  N  N   . ILE   A 1 132 ? -24.693 21.439 20.242  1.000 13.055  0 106 ILE   A N   1 ? 
ATOM   837  C  CA  . ILE   A 1 132 ? -23.547 20.536 20.332  1.000 11.042  0 106 ILE   A CA  1 ? 
ATOM   838  C  C   . ILE   A 1 132 ? -23.144 20.037 18.947  1.000 10.116  0 106 ILE   A C   1 ? 
ATOM   839  O  O   . ILE   A 1 132 ? -23.993 19.918 18.067  1.000 10.343  0 106 ILE   A O   1 ? 
ATOM   840  C  CB  . ILE   A 1 132 ? -23.812 19.372 21.300  1.000 12.410  0 106 ILE   A CB  1 ? 
ATOM   841  C  CG1 . ILE   A 1 132 ? -24.847 18.415 20.779  1.000 13.609  0 106 ILE   A CG1 1 ? 
ATOM   842  C  CG2 . ILE   A 1 132 ? -24.134 19.918 22.691  1.000 13.086  0 106 ILE   A CG2 1 ? 
ATOM   843  C  CD1 . ILE   A 1 132 ? -24.964 17.140 21.598  1.000 13.722  0 106 ILE   A CD1 1 ? 
ATOM   844  N  N   . ILE   A 1 133 ? -21.870 19.668 18.817  1.000 10.170  0 107 ILE   A N   1 ? 
ATOM   845  C  CA  . ILE   A 1 133 ? -21.366 19.028 17.607  1.000 10.145  0 107 ILE   A CA  1 ? 
ATOM   846  C  C   . ILE   A 1 133 ? -20.706 17.714 18.011  1.000 10.002  0 107 ILE   A C   1 ? 
ATOM   847  O  O   . ILE   A 1 133 ? -19.754 17.742 18.796  1.000 10.821  0 107 ILE   A O   1 ? 
ATOM   848  C  CB  . ILE   A 1 133 ? -20.386 19.924 16.822  1.000 11.017  0 107 ILE   A CB  1 ? 
ATOM   849  C  CG1 . ILE   A 1 133 ? -21.025 21.308 16.450  1.000 11.951  0 107 ILE   A CG1 1 ? 
ATOM   850  C  CG2 . ILE   A 1 133 ? -19.882 19.205 15.589  1.000 11.391  0 107 ILE   A CG2 1 ? 
ATOM   851  C  CD1 . ILE   A 1 133 ? -20.075 22.285 15.759  1.000 13.304  0 107 ILE   A CD1 1 ? 
ATOM   852  N  N   . VAL   A 1 134 ? -21.201 16.600 17.452  1.000 9.452   0 108 VAL   A N   1 ? 
ATOM   853  C  CA  . VAL   A 1 134 ? -20.686 15.267 17.750  1.000 9.129   0 108 VAL   A CA  1 ? 
ATOM   854  C  C   . VAL   A 1 134 ? -20.243 14.601 16.467  1.000 10.147  0 108 VAL   A C   1 ? 
ATOM   855  O  O   . VAL   A 1 134 ? -20.781 14.900 15.410  1.000 10.488  0 108 VAL   A O   1 ? 
ATOM   856  C  CB  . VAL   A 1 134 ? -21.712 14.400 18.496  1.000 9.694   0 108 VAL   A CB  1 ? 
ATOM   857  C  CG1 . VAL   A 1 134 ? -21.990 15.017 19.871  1.000 11.280  0 108 VAL   A CG1 1 ? 
ATOM   858  C  CG2 . VAL   A 1 134 ? -23.027 14.203 17.703  1.000 10.398  0 108 VAL   A CG2 1 ? 
ATOM   859  N  N   . ALA   A 1 135 ? -19.230 13.756 16.573  1.000 8.655   0 109 ALA   A N   1 ? 
ATOM   860  C  CA  . ALA   A 1 135 ? -18.856 12.843 15.505  1.000 8.711   0 109 ALA   A CA  1 ? 
ATOM   861  C  C   . ALA   A 1 135 ? -19.592 11.519 15.654  1.000 9.452   0 109 ALA   A C   1 ? 
ATOM   862  O  O   . ALA   A 1 135 ? -19.684 11.024 16.783  1.000 10.494  0 109 ALA   A O   1 ? 
ATOM   863  C  CB  . ALA   A 1 135 ? -17.393 12.610 15.535  1.000 8.880   0 109 ALA   A CB  1 ? 
ATOM   864  N  N   . CYS   A 1 136 ? -20.148 11.017 14.549  1.000 9.358   0 110 CYS   A N   1 ? 
ATOM   865  C  CA  . CYS   A 1 136 ? -20.901 9.756  14.582  1.000 9.035   0 110 CYS   A CA  1 ? 
ATOM   866  C  C   . CYS   A 1 136 ? -20.232 8.727  13.673  1.000 10.310  0 110 CYS   A C   1 ? 
ATOM   867  O  O   . CYS   A 1 136 ? -19.649 9.035  12.640  1.000 10.037  0 110 CYS   A O   1 ? 
ATOM   868  C  CB  . CYS   A 1 136 ? -22.354 9.976  14.182  1.000 10.092  0 110 CYS   A CB  1 ? 
ATOM   869  S  SG  . CYS   A 1 136 ? -23.142 11.258 15.181  1.000 12.165  0 110 CYS   A SG  1 ? 
ATOM   870  N  N   A GLU   A 1 137 ? -20.355 7.462  14.084  0.500 10.027  0 111 GLU   A N   1 ? 
ATOM   871  N  N   B GLU   A 1 137 ? -20.363 7.466  14.091  0.500 10.037  0 111 GLU   A N   1 ? 
ATOM   872  C  CA  A GLU   A 1 137 ? -19.786 6.334  13.368  0.500 10.784  0 111 GLU   A CA  1 ? 
ATOM   873  C  CA  B GLU   A 1 137 ? -19.807 6.326  13.384  0.500 10.790  0 111 GLU   A CA  1 ? 
ATOM   874  C  C   A GLU   A 1 137 ? -20.574 5.078  13.713  0.500 11.414  0 111 GLU   A C   1 ? 
ATOM   875  C  C   B GLU   A 1 137 ? -20.683 5.107  13.653  0.500 11.389  0 111 GLU   A C   1 ? 
ATOM   876  O  O   A GLU   A 1 137 ? -21.208 4.985  14.772  0.500 11.051  0 111 GLU   A O   1 ? 
ATOM   877  O  O   B GLU   A 1 137 ? -21.510 5.065  14.578  0.500 11.034  0 111 GLU   A O   1 ? 
ATOM   878  C  CB  A GLU   A 1 137 ? -18.339 5.992  13.738  0.500 11.253  0 111 GLU   A CB  1 ? 
ATOM   879  C  CB  B GLU   A 1 137 ? -18.358 5.998  13.777  0.500 11.333  0 111 GLU   A CB  1 ? 
ATOM   880  C  CG  A GLU   A 1 137 ? -17.333 7.112  13.524  0.500 12.961  0 111 GLU   A CG  1 ? 
ATOM   881  C  CG  B GLU   A 1 137 ? -17.330 7.040  13.354  0.500 13.029  0 111 GLU   A CG  1 ? 
ATOM   882  C  CD  A GLU   A 1 137 ? -15.900 6.689  13.753  0.500 15.314  0 111 GLU   A CD  1 ? 
ATOM   883  C  CD  B GLU   A 1 137 ? -15.863 6.680  13.500  0.500 15.492  0 111 GLU   A CD  1 ? 
ATOM   884  O  OE1 A GLU   A 1 137 ? -15.019 7.110  12.932  0.500 17.636  0 111 GLU   A OE1 1 ? 
ATOM   885  O  OE1 B GLU   A 1 137 ? -15.169 7.389  14.301  0.500 18.211  0 111 GLU   A OE1 1 ? 
ATOM   886  O  OE2 A GLU   A 1 137 ? -15.642 6.021  14.777  0.500 14.279  0 111 GLU   A OE2 1 ? 
ATOM   887  O  OE2 B GLU   A 1 137 ? -15.365 5.802  12.753  0.500 13.550  0 111 GLU   A OE2 1 ? 
ATOM   888  N  N   . GLY   A 1 138 ? -20.485 4.099  12.811  1.000 11.199  0 112 GLY   A N   1 ? 
ATOM   889  C  CA  . GLY   A 1 138 ? -20.987 2.753  13.095  1.000 12.007  0 112 GLY   A CA  1 ? 
ATOM   890  C  C   . GLY   A 1 138 ? -22.312 2.415  12.423  1.000 14.436  0 112 GLY   A C   1 ? 
ATOM   891  O  O   . GLY   A 1 138 ? -23.013 3.241  11.856  1.000 12.944  0 112 GLY   A O   1 ? 
ATOM   892  N  N   . ASN   A 1 139 ? -22.702 1.119  12.567  1.000 17.087  0 113 ASN   A N   1 ? 
ATOM   893  C  CA  . ASN   A 1 139 ? -24.062 0.682  12.294  1.000 19.371  0 113 ASN   A CA  1 ? 
ATOM   894  C  C   . ASN   A 1 139 ? -24.575 -0.042 13.541  1.000 19.153  0 113 ASN   A C   1 ? 
ATOM   895  O  O   . ASN   A 1 139 ? -24.125 -1.163 13.788  1.000 21.479  0 113 ASN   A O   1 ? 
ATOM   896  C  CB  . ASN   A 1 139 ? -24.131 -0.231 11.077  1.000 20.159  0 113 ASN   A CB  1 ? 
ATOM   897  C  CG  . ASN   A 1 139 ? -25.559 -0.515 10.681  1.000 23.408  0 113 ASN   A CG  1 ? 
ATOM   898  O  OD1 . ASN   A 1 139 ? -26.499 -0.024 11.307  1.000 22.968  0 113 ASN   A OD1 1 ? 
ATOM   899  N  ND2 . ASN   A 1 139 ? -25.713 -1.226 9.575   1.000 30.520  0 113 ASN   A ND2 1 ? 
ATOM   900  N  N   . PRO   A 1 140 ? -25.400 0.570  14.405  1.000 19.173  0 114 PRO   A N   1 ? 
ATOM   901  C  CA  . PRO   A 1 140 ? -26.096 1.832  14.139  1.000 17.702  0 114 PRO   A CA  1 ? 
ATOM   902  C  C   . PRO   A 1 140 ? -25.173 3.049  14.271  1.000 15.709  0 114 PRO   A C   1 ? 
ATOM   903  O  O   . PRO   A 1 140 ? -24.123 2.977  14.901  1.000 14.888  0 114 PRO   A O   1 ? 
ATOM   904  C  CB  . PRO   A 1 140 ? -27.179 1.872  15.184  1.000 20.700  0 114 PRO   A CB  1 ? 
ATOM   905  C  CG  . PRO   A 1 140 ? -26.542 1.177  16.360  1.000 20.878  0 114 PRO   A CG  1 ? 
ATOM   906  C  CD  . PRO   A 1 140 ? -25.726 0.059  15.765  1.000 21.085  0 114 PRO   A CD  1 ? 
ATOM   907  N  N   . TYR   A 1 141 ? -25.585 4.091  13.563  1.000 14.271  0 115 TYR   A N   1 ? 
ATOM   908  C  CA  . TYR   A 1 141 ? -24.833 5.347  13.493  1.000 12.916  0 115 TYR   A CA  1 ? 
ATOM   909  C  C   . TYR   A 1 141 ? -25.094 6.199  14.722  1.000 12.214  0 115 TYR   A C   1 ? 
ATOM   910  O  O   . TYR   A 1 141 ? -26.178 6.749  14.916  1.000 14.018  0 115 TYR   A O   1 ? 
ATOM   911  C  CB  . TYR   A 1 141 ? -25.254 6.065  12.233  1.000 13.875  0 115 TYR   A CB  1 ? 
ATOM   912  C  CG  . TYR   A 1 141 ? -24.290 7.113  11.687  1.000 11.694  0 115 TYR   A CG  1 ? 
ATOM   913  C  CD1 . TYR   A 1 141 ? -22.983 6.783  11.330  1.000 11.302  0 115 TYR   A CD1 1 ? 
ATOM   914  C  CD2 . TYR   A 1 141 ? -24.712 8.431  11.535  1.000 11.334  0 115 TYR   A CD2 1 ? 
ATOM   915  C  CE1 . TYR   A 1 141 ? -22.115 7.712  10.797  1.000 10.857  0 115 TYR   A CE1 1 ? 
ATOM   916  C  CE2 . TYR   A 1 141 ? -23.859 9.359  10.980  1.000 10.627  0 115 TYR   A CE2 1 ? 
ATOM   917  C  CZ  . TYR   A 1 141 ? -22.570 9.000  10.595  1.000 11.032  0 115 TYR   A CZ  1 ? 
ATOM   918  O  OH  . TYR   A 1 141 ? -21.677 9.840  9.932   1.000 10.765  0 115 TYR   A OH  1 ? 
ATOM   919  N  N   . VAL   A 1 142 ? -24.068 6.271  15.583  1.000 12.441  0 116 VAL   A N   1 ? 
ATOM   920  C  CA  . VAL   A 1 142 ? -24.224 6.796  16.924  1.000 12.293  0 116 VAL   A CA  1 ? 
ATOM   921  C  C   . VAL   A 1 142 ? -23.057 7.720  17.258  1.000 11.930  0 116 VAL   A C   1 ? 
ATOM   922  O  O   . VAL   A 1 142 ? -22.004 7.664  16.655  1.000 10.659  0 116 VAL   A O   1 ? 
ATOM   923  C  CB  . VAL   A 1 142 ? -24.363 5.679  17.981  1.000 14.956  0 116 VAL   A CB  1 ? 
ATOM   924  C  CG1 . VAL   A 1 142 ? -25.678 4.931  17.749  1.000 17.412  0 116 VAL   A CG1 1 ? 
ATOM   925  C  CG2 . VAL   A 1 142 ? -23.175 4.733  17.957  1.000 15.068  0 116 VAL   A CG2 1 ? 
ATOM   926  N  N   . PRO   A 1 143 ? -23.218 8.559  18.299  1.000 11.705  0 117 PRO   A N   1 ? 
ATOM   927  C  CA  . PRO   A 1 143 ? -22.136 9.439  18.680  1.000 11.344  0 117 PRO   A CA  1 ? 
ATOM   928  C  C   . PRO   A 1 143 ? -20.951 8.688  19.261  1.000 12.322  0 117 PRO   A C   1 ? 
ATOM   929  O  O   . PRO   A 1 143 ? -21.145 7.827  20.136  1.000 13.134  0 117 PRO   A O   1 ? 
ATOM   930  C  CB  . PRO   A 1 143 ? -22.792 10.407 19.678  1.000 11.795  0 117 PRO   A CB  1 ? 
ATOM   931  C  CG  . PRO   A 1 143 ? -24.258 10.211 19.521  1.000 13.411  0 117 PRO   A CG  1 ? 
ATOM   932  C  CD  . PRO   A 1 143 ? -24.460 8.809  19.041  1.000 12.536  0 117 PRO   A CD  1 ? 
ATOM   933  N  N   . VAL   A 1 144 ? -19.768 9.065  18.829  1.000 11.490  0 118 VAL   A N   1 ? 
ATOM   934  C  CA  . VAL   A 1 144 ? -18.533 8.500  19.356  1.000 10.950  0 118 VAL   A CA  1 ? 
ATOM   935  C  C   . VAL   A 1 144 ? -17.529 9.546  19.815  1.000 12.254  0 118 VAL   A C   1 ? 
ATOM   936  O  O   . VAL   A 1 144 ? -16.578 9.179  20.491  1.000 13.457  0 118 VAL   A O   1 ? 
ATOM   937  C  CB  . VAL   A 1 144 ? -17.910 7.521  18.359  1.000 12.119  0 118 VAL   A CB  1 ? 
ATOM   938  C  CG1 . VAL   A 1 144 ? -18.788 6.295  18.122  1.000 13.241  0 118 VAL   A CG1 1 ? 
ATOM   939  C  CG2 . VAL   A 1 144 ? -17.563 8.206  17.043  1.000 12.633  0 118 VAL   A CG2 1 ? 
ATOM   940  N  N   . HIS   A 1 145 ? -17.670 10.831 19.434  1.000 11.142  0 119 HIS   A N   1 ? 
ATOM   941  C  CA  . HIS   A 1 145 ? -16.802 11.855 19.980  1.000 11.222  0 119 HIS   A CA  1 ? 
ATOM   942  C  C   . HIS   A 1 145 ? -17.587 13.138 20.131  1.000 11.489  0 119 HIS   A C   1 ? 
ATOM   943  O  O   . HIS   A 1 145 ? -18.578 13.362 19.438  1.000 11.795  0 119 HIS   A O   1 ? 
ATOM   944  C  CB  . HIS   A 1 145 ? -15.573 12.151 19.123  1.000 12.412  0 119 HIS   A CB  1 ? 
ATOM   945  C  CG  . HIS   A 1 145 ? -14.792 10.969 18.727  1.000 14.195  0 119 HIS   A CG  1 ? 
ATOM   946  N  ND1 . HIS   A 1 145 ? -13.989 10.299 19.643  1.000 15.767  0 119 HIS   A ND1 1 ? 
ATOM   947  C  CD2 . HIS   A 1 145 ? -14.639 10.354 17.553  1.000 14.704  0 119 HIS   A CD2 1 ? 
ATOM   948  C  CE1 . HIS   A 1 145 ? -13.434 9.232  19.013  1.000 16.473  0 119 HIS   A CE1 1 ? 
ATOM   949  N  NE2 . HIS   A 1 145 ? -13.772 9.284  17.741  1.000 18.607  0 119 HIS   A NE2 1 ? 
ATOM   950  N  N   . PHE   A 1 146 ? -17.166 13.954 21.078  1.000 10.876  0 120 PHE   A N   1 ? 
ATOM   951  C  CA  . PHE   A 1 146 ? -17.748 15.270 21.263  1.000 11.246  0 120 PHE   A CA  1 ? 
ATOM   952  C  C   . PHE   A 1 146 ? -16.781 16.281 20.655  1.000 11.595  0 120 PHE   A C   1 ? 
ATOM   953  O  O   . PHE   A 1 146 ? -15.650 16.386 21.117  1.000 12.918  0 120 PHE   A O   1 ? 
ATOM   954  C  CB  . PHE   A 1 146 ? -17.949 15.543 22.755  1.000 11.681  0 120 PHE   A CB  1 ? 
ATOM   955  C  CG  . PHE   A 1 146 ? -18.773 16.790 22.985  1.000 11.986  0 120 PHE   A CG  1 ? 
ATOM   956  C  CD1 . PHE   A 1 146 ? -18.192 18.044 22.926  1.000 12.416  0 120 PHE   A CD1 1 ? 
ATOM   957  C  CD2 . PHE   A 1 146 ? -20.152 16.695 23.170  1.000 13.832  0 120 PHE   A CD2 1 ? 
ATOM   958  C  CE1 . PHE   A 1 146 ? -18.992 19.179 23.099  1.000 13.198  0 120 PHE   A CE1 1 ? 
ATOM   959  C  CE2 . PHE   A 1 146 ? -20.923 17.815 23.330  1.000 12.896  0 120 PHE   A CE2 1 ? 
ATOM   960  C  CZ  . PHE   A 1 146 ? -20.340 19.043 23.292  1.000 12.241  0 120 PHE   A CZ  1 ? 
ATOM   961  N  N   . ASP   A 1 147 ? -17.179 16.988 19.592  1.000 10.461  0 121 ASP   A N   1 ? 
ATOM   962  C  CA  . ASP   A 1 147 ? -16.267 17.822 18.850  1.000 10.960  0 121 ASP   A CA  1 ? 
ATOM   963  C  C   . ASP   A 1 147 ? -16.218 19.248 19.382  1.000 11.131  0 121 ASP   A C   1 ? 
ATOM   964  O  O   . ASP   A 1 147 ? -15.147 19.857 19.360  1.000 13.447  0 121 ASP   A O   1 ? 
ATOM   965  C  CB  . ASP   A 1 147 ? -16.553 17.813 17.357  1.000 12.000  0 121 ASP   A CB  1 ? 
ATOM   966  C  CG  . ASP   A 1 147 ? -15.329 18.119 16.518  1.000 13.510  0 121 ASP   A CG  1 ? 
ATOM   967  O  OD1 . ASP   A 1 147 ? -14.277 17.484 16.764  1.000 14.716  0 121 ASP   A OD1 1 ? 
ATOM   968  O  OD2 . ASP   A 1 147 ? -15.449 18.940 15.622  1.000 13.420  0 121 ASP   A OD2 1 ? 
ATOM   969  N  N   . ALA   A 1 148 ? -17.381 19.815 19.653  1.000 10.526  0 122 ALA   A N   1 ? 
ATOM   970  C  CA  . ALA   A 1 148 ? -17.496 21.244 19.966  1.000 12.267  0 122 ALA   A CA  1 ? 
ATOM   971  C  C   . ALA   A 1 148 ? -18.896 21.595 20.409  1.000 13.536  0 122 ALA   A C   1 ? 
ATOM   972  O  O   . ALA   A 1 148 ? -19.832 20.842 20.299  1.000 12.672  0 122 ALA   A O   1 ? 
ATOM   973  C  CB  . ALA   A 1 148 ? -17.166 22.086 18.751  1.000 14.009  0 122 ALA   A CB  1 ? 
ATOM   974  N  N   . SER   A 1 149 ? -19.036 22.796 21.010  1.000 15.340  0 123 SER   A N   1 ? 
ATOM   975  C  CA  . SER   A 1 149 ? -20.344 23.384 21.169  1.000 15.751  0 123 SER   A CA  1 ? 
ATOM   976  C  C   . SER   A 1 149 ? -20.298 24.793 20.602  1.000 16.328  0 123 SER   A C   1 ? 
ATOM   977  O  O   . SER   A 1 149 ? -19.235 25.411 20.606  1.000 19.162  0 123 SER   A O   1 ? 
ATOM   978  C  CB  . SER   A 1 149 ? -20.780 23.427 22.607  1.000 18.443  0 123 SER   A CB  1 ? 
ATOM   979  O  OG  . SER   A 1 149 ? -19.896 24.268 23.336  1.000 23.507  0 123 SER   A OG  1 ? 
ATOM   980  N  N   . VAL   A 1 150 ? -21.429 25.238 20.066  1.000 17.730  0 124 VAL   A N   1 ? 
ATOM   981  C  CA  . VAL   A 1 150 ? -21.495 26.538 19.433  1.000 20.810  0 124 VAL   A CA  1 ? 
ATOM   982  C  C   . VAL   A 1 150 ? -22.785 27.273 19.824  1.000 22.596  0 124 VAL   A C   1 ? 
ATOM   983  O  O   . VAL   A 1 150 ? -23.773 26.631 20.176  1.000 23.933  0 124 VAL   A O   1 ? 
ATOM   984  C  CB  . VAL   A 1 150 ? -21.349 26.410 17.906  1.000 21.298  0 124 VAL   A CB  1 ? 
ATOM   985  C  CG1 . VAL   A 1 150 ? -20.014 25.791 17.517  1.000 26.081  0 124 VAL   A CG1 1 ? 
ATOM   986  C  CG2 . VAL   A 1 150 ? -22.507 25.658 17.276  1.000 22.454  0 124 VAL   A CG2 1 ? 
ATOM   987  O  OXT . VAL   A 1 150 ? -22.765 28.487 19.641  1.000 28.376  0 124 VAL   A OXT 1 ? 
ATOM   988  N  N   . LYS   B 1 27  ? -27.483 32.294 7.756   1.000 29.320  0 1   LYS   B N   1 ? 
ATOM   989  C  CA  . LYS   B 1 27  ? -28.800 32.267 7.059   1.000 24.604  0 1   LYS   B CA  1 ? 
ATOM   990  C  C   . LYS   B 1 27  ? -29.033 30.887 6.446   1.000 27.059  0 1   LYS   B C   1 ? 
ATOM   991  O  O   . LYS   B 1 27  ? -28.356 30.518 5.495   1.000 27.666  0 1   LYS   B O   1 ? 
ATOM   992  C  CB  . LYS   B 1 27  ? -28.789 33.267 5.906   1.000 25.128  0 1   LYS   B CB  1 ? 
ATOM   993  N  N   . GLU   B 1 28  ? -29.995 30.124 6.976   1.000 20.938  0 2   GLU   B N   1 ? 
ATOM   994  C  CA  . GLU   B 1 28  ? -30.184 28.760 6.489   1.000 18.254  0 2   GLU   B CA  1 ? 
ATOM   995  C  C   . GLU   B 1 28  ? -30.554 28.729 4.997   1.000 17.181  0 2   GLU   B C   1 ? 
ATOM   996  O  O   . GLU   B 1 28  ? -31.479 29.406 4.563   1.000 18.011  0 2   GLU   B O   1 ? 
ATOM   997  C  CB  . GLU   B 1 28  ? -31.309 28.201 7.359   1.000 16.455  0 2   GLU   B CB  1 ? 
ATOM   998  C  CG  . GLU   B 1 28  ? -31.637 26.745 7.035   1.000 16.415  0 2   GLU   B CG  1 ? 
ATOM   999  C  CD  . GLU   B 1 28  ? -32.713 26.143 7.930   1.000 15.843  0 2   GLU   B CD  1 ? 
ATOM   1000 O  OE1 . GLU   B 1 28  ? -33.763 26.796 8.083   1.000 17.391  0 2   GLU   B OE1 1 ? 
ATOM   1001 O  OE2 . GLU   B 1 28  ? -32.492 25.040 8.467   1.000 15.750  0 2   GLU   B OE2 1 ? 
ATOM   1002 N  N   . THR   B 1 29  ? -29.935 27.820 4.232   1.000 16.598  0 3   THR   B N   1 ? 
ATOM   1003 C  CA  . THR   B 1 29  ? -30.250 27.619 2.839   1.000 16.571  0 3   THR   B CA  1 ? 
ATOM   1004 C  C   . THR   B 1 29  ? -31.518 26.769 2.729   1.000 15.162  0 3   THR   B C   1 ? 
ATOM   1005 O  O   . THR   B 1 29  ? -31.905 26.066 3.662   1.000 14.756  0 3   THR   B O   1 ? 
ATOM   1006 C  CB  . THR   B 1 29  ? -29.099 26.978 2.083   1.000 19.038  0 3   THR   B CB  1 ? 
ATOM   1007 O  OG1 . THR   B 1 29  ? -29.011 25.609 2.477   1.000 16.254  0 3   THR   B OG1 1 ? 
ATOM   1008 C  CG2 . THR   B 1 29  ? -27.728 27.575 2.358   1.000 20.471  0 3   THR   B CG2 1 ? 
ATOM   1009 N  N   . ALA   B 1 30  ? -32.142 26.785 1.561   1.000 14.982  0 4   ALA   B N   1 ? 
ATOM   1010 C  CA  . ALA   B 1 30  ? -33.342 26.027 1.313   1.000 13.751  0 4   ALA   B CA  1 ? 
ATOM   1011 C  C   . ALA   B 1 30  ? -32.992 24.541 1.421   1.000 12.185  0 4   ALA   B C   1 ? 
ATOM   1012 O  O   . ALA   B 1 30  ? -33.781 23.750 1.932   1.000 12.676  0 4   ALA   B O   1 ? 
ATOM   1013 C  CB  . ALA   B 1 30  ? -33.871 26.355 -0.080  1.000 15.529  0 4   ALA   B CB  1 ? 
ATOM   1014 N  N   . ALA   B 1 31  ? -31.822 24.170 0.904   1.000 12.567  0 5   ALA   B N   1 ? 
ATOM   1015 C  CA  . ALA   B 1 31  ? -31.410 22.771 0.951   1.000 12.567  0 5   ALA   B CA  1 ? 
ATOM   1016 C  C   . ALA   B 1 31  ? -31.279 22.351 2.422   1.000 11.451  0 5   ALA   B C   1 ? 
ATOM   1017 O  O   . ALA   B 1 31  ? -31.688 21.229 2.825   1.000 10.419  0 5   ALA   B O   1 ? 
ATOM   1018 C  CB  . ALA   B 1 31  ? -30.116 22.586 0.185   1.000 14.063  0 5   ALA   B CB  1 ? 
ATOM   1019 N  N   . ALA   B 1 32  ? -30.661 23.205 3.238   1.000 11.240  0 6   ALA   B N   1 ? 
ATOM   1020 C  CA  . ALA   B 1 32  ? -30.471 22.890 4.642   1.000 11.395  0 6   ALA   B CA  1 ? 
ATOM   1021 C  C   . ALA   B 1 32  ? -31.802 22.840 5.394   1.000 11.016  0 6   ALA   B C   1 ? 
ATOM   1022 O  O   . ALA   B 1 32  ? -32.040 21.977 6.269   1.000 10.413  0 6   ALA   B O   1 ? 
ATOM   1023 C  CB  . ALA   B 1 32  ? -29.522 23.872 5.279   1.000 12.497  0 6   ALA   B CB  1 ? 
ATOM   1024 N  N   . LYS   B 1 33  ? -32.729 23.724 5.015   1.000 11.417  0 7   LYS   B N   1 ? 
ATOM   1025 C  CA  . LYS   B 1 33  ? -34.052 23.711 5.615   1.000 11.857  0 7   LYS   B CA  1 ? 
ATOM   1026 C  C   . LYS   B 1 33  ? -34.787 22.422 5.272   1.000 10.883  0 7   LYS   B C   1 ? 
ATOM   1027 O  O   . LYS   B 1 33  ? -35.463 21.826 6.125   1.000 10.409  0 7   LYS   B O   1 ? 
ATOM   1028 C  CB  . LYS   B 1 33  ? -34.788 24.979 5.173   1.000 13.326  0 7   LYS   B CB  1 ? 
ATOM   1029 C  CG  . LYS   B 1 33  ? -36.189 25.020 5.733   1.000 16.805  0 7   LYS   B CG  1 ? 
ATOM   1030 C  CD  . LYS   B 1 33  ? -36.898 26.322 5.414   1.000 19.663  0 7   LYS   B CD  1 ? 
ATOM   1031 C  CE  . LYS   B 1 33  ? -38.276 26.249 5.955   1.000 24.793  0 7   LYS   B CE  1 ? 
ATOM   1032 N  NZ  . LYS   B 1 33  ? -39.006 27.502 5.748   1.000 30.245  0 7   LYS   B NZ  1 ? 
ATOM   1033 N  N   . PHE   B 1 34  ? -34.623 21.915 4.037   1.000 9.774   0 8   PHE   B N   1 ? 
ATOM   1034 C  CA  . PHE   B 1 34  ? -35.216 20.636 3.646   1.000 9.025   0 8   PHE   B CA  1 ? 
ATOM   1035 C  C   . PHE   B 1 34  ? -34.676 19.535 4.543   1.000 9.631   0 8   PHE   B C   1 ? 
ATOM   1036 O  O   . PHE   B 1 34  ? -35.412 18.671 5.008   1.000 9.944   0 8   PHE   B O   1 ? 
ATOM   1037 C  CB  . PHE   B 1 34  ? -34.949 20.334 2.179   1.000 9.819   0 8   PHE   B CB  1 ? 
ATOM   1038 C  CG  . PHE   B 1 34  ? -35.538 19.001 1.777   1.000 9.544   0 8   PHE   B CG  1 ? 
ATOM   1039 C  CD1 . PHE   B 1 34  ? -34.759 17.861 1.895   1.000 9.972   0 8   PHE   B CD1 1 ? 
ATOM   1040 C  CD2 . PHE   B 1 34  ? -36.823 18.897 1.245   1.000 10.152  0 8   PHE   B CD2 1 ? 
ATOM   1041 C  CE1 . PHE   B 1 34  ? -35.260 16.623 1.558   1.000 10.418  0 8   PHE   B CE1 1 ? 
ATOM   1042 C  CE2 . PHE   B 1 34  ? -37.312 17.652 0.912   1.000 11.167  0 8   PHE   B CE2 1 ? 
ATOM   1043 C  CZ  . PHE   B 1 34  ? -36.526 16.543 1.027   1.000 10.993  0 8   PHE   B CZ  1 ? 
ATOM   1044 N  N   . GLU   B 1 35  ? -33.354 19.497 4.763   1.000 9.444   0 9   GLU   B N   1 ? 
ATOM   1045 C  CA  . GLU   B 1 35  ? -32.807 18.447 5.624   1.000 9.794   0 9   GLU   B CA  1 ? 
ATOM   1046 C  C   . GLU   B 1 35  ? -33.308 18.572 7.053   1.000 9.362   0 9   GLU   B C   1 ? 
ATOM   1047 O  O   . GLU   B 1 35  ? -33.647 17.564 7.654   1.000 10.542  0 9   GLU   B O   1 ? 
ATOM   1048 C  CB  . GLU   B 1 35  ? -31.276 18.472 5.612   1.000 11.242  0 9   GLU   B CB  1 ? 
ATOM   1049 C  CG  . GLU   B 1 35  ? -30.694 18.026 4.282   1.000 12.521  0 9   GLU   B CG  1 ? 
ATOM   1050 C  CD  . GLU   B 1 35  ? -29.175 17.774 4.257   1.000 16.053  0 9   GLU   B CD  1 ? 
ATOM   1051 O  OE1 . GLU   B 1 35  ? -28.698 17.169 5.270   1.000 21.796  0 9   GLU   B OE1 1 ? 
ATOM   1052 O  OE2 . GLU   B 1 35  ? -28.439 18.112 3.310   1.000 14.633  0 9   GLU   B OE2 1 ? 
ATOM   1053 N  N   . ARG   B 1 36  ? -33.446 19.787 7.562   1.000 8.949   0 10  ARG   B N   1 ? 
ATOM   1054 C  CA  . ARG   B 1 36  ? -33.915 19.967 8.936   1.000 9.446   0 10  ARG   B CA  1 ? 
ATOM   1055 C  C   . ARG   B 1 36  ? -35.371 19.507 9.078   1.000 10.438  0 10  ARG   B C   1 ? 
ATOM   1056 O  O   . ARG   B 1 36  ? -35.770 18.858 10.051  1.000 11.075  0 10  ARG   B O   1 ? 
ATOM   1057 C  CB  . ARG   B 1 36  ? -33.761 21.435 9.357   1.000 10.685  0 10  ARG   B CB  1 ? 
ATOM   1058 C  CG  . ARG   B 1 36  ? -34.299 21.650 10.768  1.000 10.707  0 10  ARG   B CG  1 ? 
ATOM   1059 C  CD  . ARG   B 1 36  ? -34.045 23.071 11.257  1.000 11.831  0 10  ARG   B CD  1 ? 
ATOM   1060 N  NE  . ARG   B 1 36  ? -34.441 24.160 10.357  1.000 13.315  0 10  ARG   B NE  1 ? 
ATOM   1061 C  CZ  . ARG   B 1 36  ? -35.686 24.662 10.274  1.000 14.099  0 10  ARG   B CZ  1 ? 
ATOM   1062 N  NH1 . ARG   B 1 36  ? -36.622 24.227 11.088  1.000 13.848  0 10  ARG   B NH1 1 ? 
ATOM   1063 N  NH2 . ARG   B 1 36  ? -35.955 25.652 9.430   1.000 13.035  0 10  ARG   B NH2 1 ? 
ATOM   1064 N  N   . GLN   B 1 37  ? -36.178 19.907 8.115   1.000 10.918  0 11  GLN   B N   1 ? 
ATOM   1065 C  CA  . GLN   B 1 37  ? -37.595 19.656 8.236   1.000 11.717  0 11  GLN   B CA  1 ? 
ATOM   1066 C  C   . GLN   B 1 37  ? -37.971 18.243 7.839   1.000 13.174  0 11  GLN   B C   1 ? 
ATOM   1067 O  O   . GLN   B 1 37  ? -39.023 17.767 8.303   1.000 14.119  0 11  GLN   B O   1 ? 
ATOM   1068 C  CB  . GLN   B 1 37  ? -38.414 20.627 7.409   1.000 11.885  0 11  GLN   B CB  1 ? 
ATOM   1069 C  CG  . GLN   B 1 37  ? -38.217 22.095 7.741   1.000 14.100  0 11  GLN   B CG  1 ? 
ATOM   1070 C  CD  . GLN   B 1 37  ? -39.364 22.885 7.144   1.000 17.699  0 11  GLN   B CD  1 ? 
ATOM   1071 O  OE1 . GLN   B 1 37  ? -40.346 23.167 7.832   1.000 23.262  0 11  GLN   B OE1 1 ? 
ATOM   1072 N  NE2 . GLN   B 1 37  ? -39.380 23.007 5.830   1.000 16.698  0 11  GLN   B NE2 1 ? 
ATOM   1073 N  N   . HIS   B 1 38  ? -37.214 17.615 6.930   1.000 10.919  0 12  HIS   B N   1 ? 
ATOM   1074 C  CA  . HIS   B 1 38  ? -37.718 16.421 6.269   1.000 12.397  0 12  HIS   B CA  1 ? 
ATOM   1075 C  C   . HIS   B 1 38  ? -36.777 15.226 6.301   1.000 13.198  0 12  HIS   B C   1 ? 
ATOM   1076 O  O   . HIS   B 1 38  ? -37.238 14.168 5.904   1.000 14.797  0 12  HIS   B O   1 ? 
ATOM   1077 C  CB  . HIS   B 1 38  ? -38.144 16.725 4.831   1.000 12.922  0 12  HIS   B CB  1 ? 
ATOM   1078 C  CG  . HIS   B 1 38  ? -39.176 17.775 4.742   1.000 12.694  0 12  HIS   B CG  1 ? 
ATOM   1079 N  ND1 . HIS   B 1 38  ? -40.455 17.580 5.241   1.000 13.090  0 12  HIS   B ND1 1 ? 
ATOM   1080 C  CD2 . HIS   B 1 38  ? -39.176 19.023 4.249   1.000 13.379  0 12  HIS   B CD2 1 ? 
ATOM   1081 C  CE1 . HIS   B 1 38  ? -41.166 18.696 5.085   1.000 13.902  0 12  HIS   B CE1 1 ? 
ATOM   1082 N  NE2 . HIS   B 1 38  ? -40.425 19.578 4.468   1.000 12.899  0 12  HIS   B NE2 1 ? 
ATOM   1083 N  N   . MET   B 1 39  ? -35.504 15.341 6.709   1.000 12.213  0 13  MET   B N   1 ? 
ATOM   1084 C  CA  . MET   B 1 39  ? -34.647 14.172 6.666   1.000 13.334  0 13  MET   B CA  1 ? 
ATOM   1085 C  C   . MET   B 1 39  ? -34.435 13.593 8.071   1.000 14.090  0 13  MET   B C   1 ? 
ATOM   1086 O  O   . MET   B 1 39  ? -34.031 14.287 8.989   1.000 13.946  0 13  MET   B O   1 ? 
ATOM   1087 C  CB  . MET   B 1 39  ? -33.270 14.470 6.078   1.000 13.414  0 13  MET   B CB  1 ? 
ATOM   1088 C  CG  . MET   B 1 39  ? -33.267 14.741 4.601   1.000 13.333  0 13  MET   B CG  1 ? 
ATOM   1089 S  SD  . MET   B 1 39  ? -33.845 13.367 3.585   1.000 13.358  0 13  MET   B SD  1 ? 
ATOM   1090 C  CE  . MET   B 1 39  ? -32.649 12.124 4.125   1.000 15.734  0 13  MET   B CE  1 ? 
ATOM   1091 N  N   . ASP   B 1 40  ? -34.647 12.290 8.188   1.000 14.255  0 14  ASP   B N   1 ? 
ATOM   1092 C  CA  . ASP   B 1 40  ? -34.273 11.576 9.413   1.000 16.196  0 14  ASP   B CA  1 ? 
ATOM   1093 C  C   . ASP   B 1 40  ? -33.853 10.178 8.987   1.000 16.867  0 14  ASP   B C   1 ? 
ATOM   1094 O  O   . ASP   B 1 40  ? -34.614 9.187  9.062   1.000 16.279  0 14  ASP   B O   1 ? 
ATOM   1095 C  CB  . ASP   B 1 40  ? -35.347 11.620 10.489  1.000 18.542  0 14  ASP   B CB  1 ? 
ATOM   1096 C  CG  . ASP   B 1 40  ? -34.913 10.884 11.751  1.000 20.536  0 14  ASP   B CG  1 ? 
ATOM   1097 O  OD1 . ASP   B 1 40  ? -33.698 10.740 11.937  1.000 19.727  0 14  ASP   B OD1 1 ? 
ATOM   1098 O  OD2 . ASP   B 1 40  ? -35.795 10.400 12.487  1.000 23.027  0 14  ASP   B OD2 1 ? 
ATOM   1099 N  N   A SER   B 1 41  ? -32.600 10.126 8.513   0.500 17.511  0 15  SER   B N   1 ? 
ATOM   1100 N  N   B SER   B 1 41  ? -32.600 10.058 8.551   0.500 18.046  0 15  SER   B N   1 ? 
ATOM   1101 C  CA  A SER   B 1 41  ? -32.018 8.913  7.977   0.500 18.967  0 15  SER   B CA  1 ? 
ATOM   1102 C  CA  B SER   B 1 41  ? -32.172 8.831  7.909   0.500 20.102  0 15  SER   B CA  1 ? 
ATOM   1103 C  C   A SER   B 1 41  ? -31.545 8.010  9.115   0.500 23.370  0 15  SER   B C   1 ? 
ATOM   1104 C  C   B SER   B 1 41  ? -32.269 7.632  8.859   0.500 23.903  0 15  SER   B C   1 ? 
ATOM   1105 O  O   A SER   B 1 41  ? -30.422 7.527  9.071   0.500 24.730  0 15  SER   B O   1 ? 
ATOM   1106 O  O   B SER   B 1 41  ? -32.391 6.497  8.413   0.500 26.401  0 15  SER   B O   1 ? 
ATOM   1107 C  CB  A SER   B 1 41  ? -30.876 9.224  7.040   0.500 18.577  0 15  SER   B CB  1 ? 
ATOM   1108 C  CB  B SER   B 1 41  ? -30.800 9.001  7.330   0.500 20.164  0 15  SER   B CB  1 ? 
ATOM   1109 O  OG  A SER   B 1 41  ? -31.268 10.137 6.025   0.500 18.746  0 15  SER   B OG  1 ? 
ATOM   1110 O  OG  B SER   B 1 41  ? -30.827 9.981  6.304   0.500 20.822  0 15  SER   B OG  1 ? 
ATOM   1111 N  N   . SER   B 1 42  ? -32.358 7.883  10.161  1.000 29.140  0 16  SER   B N   1 ? 
ATOM   1112 C  CA  . SER   B 1 42  ? -32.207 6.805  11.132  1.000 38.705  0 16  SER   B CA  1 ? 
ATOM   1113 C  C   . SER   B 1 42  ? -33.488 5.969  11.189  1.000 45.333  0 16  SER   B C   1 ? 
ATOM   1114 O  O   . SER   B 1 42  ? -34.577 6.462  10.869  1.000 47.734  0 16  SER   B O   1 ? 
ATOM   1115 C  CB  . SER   B 1 42  ? -31.862 7.378  12.468  1.000 39.459  0 16  SER   B CB  1 ? 
ATOM   1116 O  OG  . SER   B 1 42  ? -32.970 8.100  12.985  1.000 42.592  0 16  SER   B OG  1 ? 
ATOM   1117 N  N   . THR   B 1 43  ? -33.332 4.700  11.599  1.000 52.611  0 17  THR   B N   1 ? 
ATOM   1118 C  CA  . THR   B 1 43  ? -34.383 3.697  11.510  1.000 62.546  0 17  THR   B CA  1 ? 
ATOM   1119 C  C   . THR   B 1 43  ? -34.968 3.748  10.098  1.000 71.924  0 17  THR   B C   1 ? 
ATOM   1120 O  O   . THR   B 1 43  ? -34.526 4.547  9.276   1.000 65.907  0 17  THR   B O   1 ? 
ATOM   1121 C  CB  . THR   B 1 43  ? -35.411 3.939  12.620  1.000 63.073  0 17  THR   B CB  1 ? 
ATOM   1122 O  OG1 . THR   B 1 43  ? -34.647 4.111  13.808  1.000 61.801  0 17  THR   B OG1 1 ? 
ATOM   1123 C  CG2 . THR   B 1 43  ? -36.336 2.763  12.878  1.000 63.189  0 17  THR   B CG2 1 ? 
ATOM   1124 N  N   . SER   B 1 44  ? -35.905 2.843  9.793   1.000 87.668  0 18  SER   B N   1 ? 
ATOM   1125 C  CA  . SER   B 1 44  ? -36.799 3.013  8.655   1.000 95.683  0 18  SER   B CA  1 ? 
ATOM   1126 C  C   . SER   B 1 44  ? -38.221 3.198  9.179   1.000 101.637 0 18  SER   B C   1 ? 
ATOM   1127 O  O   . SER   B 1 44  ? -39.184 2.782  8.537   1.000 115.333 0 18  SER   B O   1 ? 
ATOM   1128 C  CB  . SER   B 1 44  ? -36.708 1.857  7.678   1.000 98.657  0 18  SER   B CB  1 ? 
ATOM   1129 O  OG  . SER   B 1 44  ? -37.219 0.651  8.235   1.000 101.026 0 18  SER   B OG  1 ? 
ATOM   1130 N  N   . ALA   B 1 45  ? -38.331 3.837  10.351  1.000 98.908  0 19  ALA   B N   1 ? 
ATOM   1131 C  CA  . ALA   B 1 45  ? -39.577 3.875  11.096  1.000 96.381  0 19  ALA   B CA  1 ? 
ATOM   1132 C  C   . ALA   B 1 45  ? -39.550 5.014  12.114  1.000 97.460  0 19  ALA   B C   1 ? 
ATOM   1133 O  O   . ALA   B 1 45  ? -38.499 5.593  12.393  1.000 96.461  0 19  ALA   B O   1 ? 
ATOM   1134 C  CB  . ALA   B 1 45  ? -39.827 2.534  11.764  1.000 95.199  0 19  ALA   B CB  1 ? 
ATOM   1135 N  N   . ALA   B 1 46  ? -40.739 5.325  12.641  1.000 93.002  0 20  ALA   B N   1 ? 
ATOM   1136 C  CA  . ALA   B 1 46  ? -40.904 6.200  13.787  1.000 86.431  0 20  ALA   B CA  1 ? 
ATOM   1137 C  C   . ALA   B 1 46  ? -40.917 5.359  15.063  1.000 86.985  0 20  ALA   B C   1 ? 
ATOM   1138 O  O   . ALA   B 1 46  ? -40.317 5.743  16.065  1.000 92.905  0 20  ALA   B O   1 ? 
ATOM   1139 C  CB  . ALA   B 1 46  ? -42.183 6.988  13.637  1.000 82.787  0 20  ALA   B CB  1 ? 
ATOM   1140 N  N   . SER   B 1 47  ? -41.606 4.208  14.991  1.000 81.269  0 21  SER   B N   1 ? 
ATOM   1141 C  CA  . SER   B 1 47  ? -41.736 3.244  16.076  1.000 73.898  0 21  SER   B CA  1 ? 
ATOM   1142 C  C   . SER   B 1 47  ? -42.563 3.833  17.222  1.000 65.958  0 21  SER   B C   1 ? 
ATOM   1143 O  O   . SER   B 1 47  ? -43.713 3.439  17.407  1.000 65.607  0 21  SER   B O   1 ? 
ATOM   1144 C  CB  . SER   B 1 47  ? -40.395 2.693  16.534  1.000 70.927  0 21  SER   B CB  1 ? 
ATOM   1145 O  OG  . SER   B 1 47  ? -39.594 3.674  17.175  1.000 72.733  0 21  SER   B OG  1 ? 
ATOM   1146 N  N   . SER   B 1 48  ? -41.990 4.782  17.975  1.000 54.762  0 22  SER   B N   1 ? 
ATOM   1147 C  CA  . SER   B 1 48  ? -42.680 5.384  19.107  1.000 45.253  0 22  SER   B CA  1 ? 
ATOM   1148 C  C   . SER   B 1 48  ? -43.877 6.212  18.630  1.000 40.599  0 22  SER   B C   1 ? 
ATOM   1149 O  O   . SER   B 1 48  ? -43.801 6.932  17.643  1.000 35.556  0 22  SER   B O   1 ? 
ATOM   1150 C  CB  . SER   B 1 48  ? -41.724 6.215  19.956  1.000 44.420  0 22  SER   B CB  1 ? 
ATOM   1151 O  OG  . SER   B 1 48  ? -42.418 6.985  20.935  1.000 44.993  0 22  SER   B OG  1 ? 
ATOM   1152 N  N   . SER   B 1 49  ? -44.988 6.132  19.365  1.000 35.699  0 23  SER   B N   1 ? 
ATOM   1153 C  CA  . SER   B 1 49  ? -46.120 7.020  19.154  1.000 33.822  0 23  SER   B CA  1 ? 
ATOM   1154 C  C   . SER   B 1 49  ? -45.755 8.474  19.466  1.000 30.256  0 23  SER   B C   1 ? 
ATOM   1155 O  O   . SER   B 1 49  ? -46.465 9.379  19.041  1.000 30.137  0 23  SER   B O   1 ? 
ATOM   1156 C  CB  . SER   B 1 49  ? -47.297 6.567  19.984  1.000 38.228  0 23  SER   B CB  1 ? 
ATOM   1157 O  OG  . SER   B 1 49  ? -46.979 6.664  21.366  1.000 39.164  0 23  SER   B OG  1 ? 
ATOM   1158 N  N   A ASN   B 1 50  ? -44.631 8.643  20.175  0.500 28.356  0 24  ASN   B N   1 ? 
ATOM   1159 N  N   B ASN   B 1 50  ? -44.688 8.731  20.241  0.500 26.912  0 24  ASN   B N   1 ? 
ATOM   1160 C  CA  A ASN   B 1 50  ? -44.128 9.925  20.637  0.500 27.876  0 24  ASN   B CA  1 ? 
ATOM   1161 C  CA  B ASN   B 1 50  ? -44.269 10.106 20.512  0.500 25.219  0 24  ASN   B CA  1 ? 
ATOM   1162 C  C   A ASN   B 1 50  ? -43.193 10.573 19.609  0.500 23.221  0 24  ASN   B C   1 ? 
ATOM   1163 C  C   B ASN   B 1 50  ? -43.084 10.541 19.649  0.500 22.174  0 24  ASN   B C   1 ? 
ATOM   1164 O  O   A ASN   B 1 50  ? -42.860 11.749 19.752  0.500 21.992  0 24  ASN   B O   1 ? 
ATOM   1165 O  O   B ASN   B 1 50  ? -42.440 11.531 19.957  0.500 22.837  0 24  ASN   B O   1 ? 
ATOM   1166 C  CB  A ASN   B 1 50  ? -43.336 9.717  21.922  0.500 28.926  0 24  ASN   B CB  1 ? 
ATOM   1167 C  CB  B ASN   B 1 50  ? -43.842 10.348 21.956  0.500 25.135  0 24  ASN   B CB  1 ? 
ATOM   1168 C  CG  A ASN   B 1 50  ? -43.480 10.859 22.892  0.500 31.774  0 24  ASN   B CG  1 ? 
ATOM   1169 C  CG  B ASN   B 1 50  ? -44.924 11.078 22.704  0.500 27.808  0 24  ASN   B CG  1 ? 
ATOM   1170 O  OD1 A ASN   B 1 50  ? -42.947 11.948 22.659  0.500 36.124  0 24  ASN   B OD1 1 ? 
ATOM   1171 O  OD1 B ASN   B 1 50  ? -46.048 10.578 22.798  0.500 29.607  0 24  ASN   B OD1 1 ? 
ATOM   1172 N  ND2 A ASN   B 1 50  ? -44.148 10.606 24.011  0.500 33.796  0 24  ASN   B ND2 1 ? 
ATOM   1173 N  ND2 B ASN   B 1 50  ? -44.625 12.276 23.184  0.500 29.275  0 24  ASN   B ND2 1 ? 
ATOM   1174 N  N   . TYR   B 1 51  ? -42.789 9.805  18.590  1.000 22.098  0 25  TYR   B N   1 ? 
ATOM   1175 C  CA  . TYR   B 1 51  ? -41.762 10.255 17.650  1.000 20.277  0 25  TYR   B CA  1 ? 
ATOM   1176 C  C   . TYR   B 1 51  ? -42.040 11.654 17.136  1.000 17.460  0 25  TYR   B C   1 ? 
ATOM   1177 O  O   . TYR   B 1 51  ? -41.191 12.529 17.204  1.000 18.813  0 25  TYR   B O   1 ? 
ATOM   1178 C  CB  . TYR   B 1 51  ? -41.706 9.288  16.491  1.000 19.751  0 25  TYR   B CB  1 ? 
ATOM   1179 C  CG  . TYR   B 1 51  ? -40.790 9.731  15.351  1.000 19.499  0 25  TYR   B CG  1 ? 
ATOM   1180 C  CD1 . TYR   B 1 51  ? -39.408 9.640  15.476  1.000 20.616  0 25  TYR   B CD1 1 ? 
ATOM   1181 C  CD2 . TYR   B 1 51  ? -41.312 10.207 14.166  1.000 19.135  0 25  TYR   B CD2 1 ? 
ATOM   1182 C  CE1 . TYR   B 1 51  ? -38.565 9.994  14.424  1.000 21.411  0 25  TYR   B CE1 1 ? 
ATOM   1183 C  CE2 . TYR   B 1 51  ? -40.485 10.535 13.100  1.000 17.259  0 25  TYR   B CE2 1 ? 
ATOM   1184 C  CZ  . TYR   B 1 51  ? -39.114 10.397 13.224  1.000 19.382  0 25  TYR   B CZ  1 ? 
ATOM   1185 O  OH  . TYR   B 1 51  ? -38.265 10.752 12.216  1.000 18.681  0 25  TYR   B OH  1 ? 
ATOM   1186 N  N   . CYS   B 1 52  ? -43.230 11.863 16.557  1.000 17.722  0 26  CYS   B N   1 ? 
ATOM   1187 C  CA  . CYS   B 1 52  ? -43.544 13.174 16.015  1.000 17.154  0 26  CYS   B CA  1 ? 
ATOM   1188 C  C   . CYS   B 1 52  ? -43.470 14.279 17.057  1.000 18.416  0 26  CYS   B C   1 ? 
ATOM   1189 O  O   . CYS   B 1 52  ? -42.945 15.346 16.786  1.000 19.317  0 26  CYS   B O   1 ? 
ATOM   1190 C  CB  . CYS   B 1 52  ? -44.901 13.182 15.318  1.000 16.502  0 26  CYS   B CB  1 ? 
ATOM   1191 S  SG  . CYS   B 1 52  ? -44.866 12.304 13.735  1.000 17.017  0 26  CYS   B SG  1 ? 
ATOM   1192 N  N   . ASN   B 1 53  ? -44.014 14.059 18.273  1.000 18.519  0 27  ASN   B N   1 ? 
ATOM   1193 C  CA  . ASN   B 1 53  ? -43.928 15.108 19.266  1.000 19.092  0 27  ASN   B CA  1 ? 
ATOM   1194 C  C   . ASN   B 1 53  ? -42.480 15.569 19.510  1.000 18.741  0 27  ASN   B C   1 ? 
ATOM   1195 O  O   . ASN   B 1 53  ? -42.243 16.759 19.641  1.000 22.671  0 27  ASN   B O   1 ? 
ATOM   1196 C  CB  . ASN   B 1 53  ? -44.577 14.672 20.570  1.000 19.802  0 27  ASN   B CB  1 ? 
ATOM   1197 C  CG  . ASN   B 1 53  ? -46.064 14.475 20.420  1.000 19.337  0 27  ASN   B CG  1 ? 
ATOM   1198 O  OD1 . ASN   B 1 53  ? -46.738 15.215 19.692  1.000 20.527  0 27  ASN   B OD1 1 ? 
ATOM   1199 N  ND2 . ASN   B 1 53  ? -46.611 13.536 21.180  1.000 23.230  0 27  ASN   B ND2 1 ? 
ATOM   1200 N  N   . GLN   B 1 54  ? -41.574 14.619 19.641  1.000 19.415  0 28  GLN   B N   1 ? 
ATOM   1201 C  CA  . GLN   B 1 54  ? -40.186 14.872 19.958  1.000 23.891  0 28  GLN   B CA  1 ? 
ATOM   1202 C  C   . GLN   B 1 54  ? -39.450 15.428 18.738  1.000 23.270  0 28  GLN   B C   1 ? 
ATOM   1203 O  O   . GLN   B 1 54  ? -38.631 16.329 18.892  1.000 23.431  0 28  GLN   B O   1 ? 
ATOM   1204 C  CB  . GLN   B 1 54  ? -39.514 13.593 20.454  1.000 28.668  0 28  GLN   B CB  1 ? 
ATOM   1205 C  CG  . GLN   B 1 54  ? -40.097 13.038 21.760  1.000 36.073  0 28  GLN   B CG  1 ? 
ATOM   1206 C  CD  . GLN   B 1 54  ? -39.847 11.551 21.945  1.000 43.896  0 28  GLN   B CD  1 ? 
ATOM   1207 O  OE1 . GLN   B 1 54  ? -39.404 10.847 21.028  1.000 49.756  0 28  GLN   B OE1 1 ? 
ATOM   1208 N  NE2 . GLN   B 1 54  ? -40.171 11.035 23.124  1.000 45.015  0 28  GLN   B NE2 1 ? 
ATOM   1209 N  N   . MET   B 1 55  ? -39.760 14.930 17.533  1.000 20.877  0 29  MET   B N   1 ? 
ATOM   1210 C  CA  . MET   B 1 55  ? -39.057 15.399 16.330  1.000 19.746  0 29  MET   B CA  1 ? 
ATOM   1211 C  C   . MET   B 1 55  ? -39.481 16.806 15.952  1.000 19.004  0 29  MET   B C   1 ? 
ATOM   1212 O  O   . MET   B 1 55  ? -38.671 17.627 15.503  1.000 17.979  0 29  MET   B O   1 ? 
ATOM   1213 C  CB  . MET   B 1 55  ? -39.348 14.549 15.097  1.000 19.399  0 29  MET   B CB  1 ? 
ATOM   1214 C  CG  . MET   B 1 55  ? -38.786 13.200 15.093  1.000 18.870  0 29  MET   B CG  1 ? 
ATOM   1215 S  SD  . MET   B 1 55  ? -36.984 13.254 14.974  1.000 22.477  0 29  MET   B SD  1 ? 
ATOM   1216 C  CE  . MET   B 1 55  ? -36.726 13.847 13.280  1.000 21.161  0 29  MET   B CE  1 ? 
ATOM   1217 N  N   . MET   B 1 56  ? -40.787 17.101 16.025  1.000 17.604  0 30  MET   B N   1 ? 
ATOM   1218 C  CA  . MET   B 1 56  ? -41.294 18.403 15.656  1.000 19.170  0 30  MET   B CA  1 ? 
ATOM   1219 C  C   . MET   B 1 56  ? -40.640 19.441 16.572  1.000 21.028  0 30  MET   B C   1 ? 
ATOM   1220 O  O   . MET   B 1 56  ? -40.397 20.568 16.161  1.000 21.350  0 30  MET   B O   1 ? 
ATOM   1221 C  CB  . MET   B 1 56  ? -42.832 18.429 15.677  1.000 18.584  0 30  MET   B CB  1 ? 
ATOM   1222 C  CG  . MET   B 1 56  ? -43.474 17.494 14.663  1.000 16.316  0 30  MET   B CG  1 ? 
ATOM   1223 S  SD  . MET   B 1 56  ? -43.073 17.862 12.937  1.000 16.630  0 30  MET   B SD  1 ? 
ATOM   1224 C  CE  . MET   B 1 56  ? -43.917 19.407 12.684  1.000 15.917  0 30  MET   B CE  1 ? 
ATOM   1225 N  N   . LYS   B 1 57  ? -40.392 19.071 17.848  1.000 22.132  0 31  LYS   B N   1 ? 
ATOM   1226 C  CA  . LYS   B 1 57  ? -39.730 19.988 18.776  1.000 23.643  0 31  LYS   B CA  1 ? 
ATOM   1227 C  C   . LYS   B 1 57  ? -38.257 20.171 18.386  1.000 21.338  0 31  LYS   B C   1 ? 
ATOM   1228 O  O   . LYS   B 1 57  ? -37.808 21.298 18.230  1.000 20.114  0 31  LYS   B O   1 ? 
ATOM   1229 C  CB  . LYS   B 1 57  ? -39.915 19.482 20.219  1.000 30.462  0 31  LYS   B CB  1 ? 
ATOM   1230 C  CG  . LYS   B 1 57  ? -38.700 18.847 20.891  1.000 37.878  0 31  LYS   B CG  1 ? 
ATOM   1231 C  CD  . LYS   B 1 57  ? -38.984 17.704 21.866  1.000 40.730  0 31  LYS   B CD  1 ? 
ATOM   1232 C  CE  . LYS   B 1 57  ? -37.803 16.860 22.245  1.000 41.083  0 31  LYS   B CE  1 ? 
ATOM   1233 N  NZ  . LYS   B 1 57  ? -37.006 16.258 21.161  1.000 37.708  0 31  LYS   B NZ  1 ? 
ATOM   1234 N  N   . SER   B 1 58  ? -37.559 19.061 18.210  1.000 20.849  0 32  SER   B N   1 ? 
ATOM   1235 C  CA  . SER   B 1 58  ? -36.104 19.010 18.039  1.000 22.995  0 32  SER   B CA  1 ? 
ATOM   1236 C  C   . SER   B 1 58  ? -35.670 19.577 16.685  1.000 20.290  0 32  SER   B C   1 ? 
ATOM   1237 O  O   . SER   B 1 58  ? -34.522 20.000 16.532  1.000 24.321  0 32  SER   B O   1 ? 
ATOM   1238 C  CB  . SER   B 1 58  ? -35.558 17.626 18.245  1.000 25.375  0 32  SER   B CB  1 ? 
ATOM   1239 O  OG  . SER   B 1 58  ? -35.598 16.754 17.116  1.000 32.715  0 32  SER   B OG  1 ? 
ATOM   1240 N  N   . ARG   B 1 59  ? -36.598 19.622 15.725  1.000 17.020  0 33  ARG   B N   1 ? 
ATOM   1241 C  CA  . ARG   B 1 59  ? -36.283 20.218 14.433  1.000 13.906  0 33  ARG   B CA  1 ? 
ATOM   1242 C  C   . ARG   B 1 59  ? -36.749 21.670 14.344  1.000 14.216  0 33  ARG   B C   1 ? 
ATOM   1243 O  O   . ARG   B 1 59  ? -36.707 22.279 13.269  1.000 14.018  0 33  ARG   B O   1 ? 
ATOM   1244 C  CB  . ARG   B 1 59  ? -36.858 19.381 13.293  1.000 14.032  0 33  ARG   B CB  1 ? 
ATOM   1245 C  CG  . ARG   B 1 59  ? -36.358 17.952 13.240  1.000 12.994  0 33  ARG   B CG  1 ? 
ATOM   1246 C  CD  . ARG   B 1 59  ? -34.793 17.870 13.206  1.000 12.174  0 33  ARG   B CD  1 ? 
ATOM   1247 N  NE  . ARG   B 1 59  ? -34.308 16.514 13.016  1.000 12.673  0 33  ARG   B NE  1 ? 
ATOM   1248 C  CZ  . ARG   B 1 59  ? -34.128 15.876 11.884  1.000 11.153  0 33  ARG   B CZ  1 ? 
ATOM   1249 N  NH1 . ARG   B 1 59  ? -34.395 16.480 10.709  1.000 11.181  0 33  ARG   B NH1 1 ? 
ATOM   1250 N  NH2 . ARG   B 1 59  ? -33.683 14.631 11.804  1.000 12.261  0 33  ARG   B NH2 1 ? 
ATOM   1251 N  N   . ASN   B 1 60  ? -37.150 22.260 15.484  1.000 16.331  0 34  ASN   B N   1 ? 
ATOM   1252 C  CA  . ASN   B 1 60  ? -37.536 23.664 15.589  1.000 16.863  0 34  ASN   B CA  1 ? 
ATOM   1253 C  C   . ASN   B 1 60  ? -38.817 23.955 14.808  1.000 15.712  0 34  ASN   B C   1 ? 
ATOM   1254 O  O   . ASN   B 1 60  ? -38.968 25.035 14.258  1.000 20.868  0 34  ASN   B O   1 ? 
ATOM   1255 C  CB  . ASN   B 1 60  ? -36.380 24.592 15.205  1.000 16.772  0 34  ASN   B CB  1 ? 
ATOM   1256 C  CG  . ASN   B 1 60  ? -35.178 24.422 16.111  1.000 20.159  0 34  ASN   B CG  1 ? 
ATOM   1257 O  OD1 . ASN   B 1 60  ? -35.305 23.994 17.273  1.000 23.413  0 34  ASN   B OD1 1 ? 
ATOM   1258 N  ND2 . ASN   B 1 60  ? -34.011 24.796 15.601  1.000 22.181  0 34  ASN   B ND2 1 ? 
ATOM   1259 N  N   . LEU   B 1 61  ? -39.738 22.983 14.788  1.000 17.242  0 35  LEU   B N   1 ? 
ATOM   1260 C  CA  . LEU   B 1 61  ? -41.008 23.101 14.076  1.000 18.000  0 35  LEU   B CA  1 ? 
ATOM   1261 C  C   . LEU   B 1 61  ? -42.174 23.402 15.019  1.000 23.161  0 35  LEU   B C   1 ? 
ATOM   1262 O  O   . LEU   B 1 61  ? -43.320 23.432 14.581  1.000 22.009  0 35  LEU   B O   1 ? 
ATOM   1263 C  CB  . LEU   B 1 61  ? -41.228 21.819 13.273  1.000 18.188  0 35  LEU   B CB  1 ? 
ATOM   1264 C  CG  . LEU   B 1 61  ? -40.182 21.506 12.206  1.000 17.224  0 35  LEU   B CG  1 ? 
ATOM   1265 C  CD1 . LEU   B 1 61  ? -40.573 20.274 11.404  1.000 18.524  0 35  LEU   B CD1 1 ? 
ATOM   1266 C  CD2 . LEU   B 1 61  ? -39.869 22.700 11.317  1.000 18.269  0 35  LEU   B CD2 1 ? 
ATOM   1267 N  N   . THR   B 1 62  ? -41.896 23.745 16.281  1.000 24.864  0 36  THR   B N   1 ? 
ATOM   1268 C  CA  . THR   B 1 62  ? -42.970 24.173 17.192  1.000 25.907  0 36  THR   B CA  1 ? 
ATOM   1269 C  C   . THR   B 1 62  ? -42.615 25.451 17.953  1.000 32.239  0 36  THR   B C   1 ? 
ATOM   1270 O  O   . THR   B 1 62  ? -43.178 25.677 19.025  1.000 29.728  0 36  THR   B O   1 ? 
ATOM   1271 C  CB  . THR   B 1 62  ? -43.315 23.054 18.164  1.000 25.151  0 36  THR   B CB  1 ? 
ATOM   1272 O  OG1 . THR   B 1 62  ? -42.194 22.739 18.993  1.000 24.820  0 36  THR   B OG1 1 ? 
ATOM   1273 C  CG2 . THR   B 1 62  ? -43.773 21.803 17.444  1.000 24.412  0 36  THR   B CG2 1 ? 
ATOM   1274 N  N   . LYS   B 1 63  ? -41.736 26.301 17.391  1.000 35.449  0 37  LYS   B N   1 ? 
ATOM   1275 C  CA  . LYS   B 1 63  ? -41.150 27.381 18.175  1.000 38.434  0 37  LYS   B CA  1 ? 
ATOM   1276 C  C   . LYS   B 1 63  ? -42.178 28.473 18.460  1.000 39.632  0 37  LYS   B C   1 ? 
ATOM   1277 O  O   . LYS   B 1 63  ? -42.385 28.849 19.614  1.000 42.061  0 37  LYS   B O   1 ? 
ATOM   1278 C  CB  . LYS   B 1 63  ? -39.896 27.976 17.525  1.000 45.370  0 37  LYS   B CB  1 ? 
ATOM   1279 C  CG  . LYS   B 1 63  ? -39.154 28.950 18.440  1.000 51.846  0 37  LYS   B CG  1 ? 
ATOM   1280 C  CD  . LYS   B 1 63  ? -37.928 29.619 17.832  1.000 57.883  0 37  LYS   B CD  1 ? 
ATOM   1281 C  CE  . LYS   B 1 63  ? -37.167 30.405 18.853  1.000 60.513  0 37  LYS   B CE  1 ? 
ATOM   1282 N  NZ  . LYS   B 1 63  ? -36.147 31.243 18.216  1.000 63.443  0 37  LYS   B NZ  1 ? 
ATOM   1283 N  N   . ASP   B 1 64  ? -42.811 29.005 17.416  1.000 37.852  0 38  ASP   B N   1 ? 
ATOM   1284 C  CA  . ASP   B 1 64  ? -43.760 30.098 17.589  1.000 39.818  0 38  ASP   B CA  1 ? 
ATOM   1285 C  C   . ASP   B 1 64  ? -45.201 29.640 17.327  1.000 35.455  0 38  ASP   B C   1 ? 
ATOM   1286 O  O   . ASP   B 1 64  ? -46.172 30.274 17.744  1.000 35.781  0 38  ASP   B O   1 ? 
ATOM   1287 C  CB  . ASP   B 1 64  ? -43.329 31.257 16.708  1.000 45.498  0 38  ASP   B CB  1 ? 
ATOM   1288 C  CG  . ASP   B 1 64  ? -41.885 31.700 16.905  1.000 53.010  0 38  ASP   B CG  1 ? 
ATOM   1289 O  OD1 . ASP   B 1 64  ? -41.489 31.926 18.074  1.000 56.391  0 38  ASP   B OD1 1 ? 
ATOM   1290 O  OD2 . ASP   B 1 64  ? -41.171 31.822 15.888  1.000 56.421  0 38  ASP   B OD2 1 ? 
ATOM   1291 N  N   . ARG   B 1 65  ? -45.330 28.576 16.540  1.000 34.586  0 39  ARG   B N   1 ? 
ATOM   1292 C  CA  . ARG   B 1 65  ? -46.604 27.969 16.208  1.000 32.105  0 39  ARG   B CA  1 ? 
ATOM   1293 C  C   . ARG   B 1 65  ? -46.303 26.486 16.053  1.000 26.786  0 39  ARG   B C   1 ? 
ATOM   1294 O  O   . ARG   B 1 65  ? -45.158 26.131 15.850  1.000 27.946  0 39  ARG   B O   1 ? 
ATOM   1295 C  CB  . ARG   B 1 65  ? -47.181 28.601 14.937  1.000 37.214  0 39  ARG   B CB  1 ? 
ATOM   1296 C  CG  . ARG   B 1 65  ? -46.437 28.308 13.643  1.000 40.590  0 39  ARG   B CG  1 ? 
ATOM   1297 C  CD  . ARG   B 1 65  ? -47.033 29.065 12.470  1.000 44.913  0 39  ARG   B CD  1 ? 
ATOM   1298 N  NE  . ARG   B 1 65  ? -48.205 28.431 11.847  1.000 56.879  0 39  ARG   B NE  1 ? 
ATOM   1299 C  CZ  . ARG   B 1 65  ? -48.191 27.422 10.959  1.000 51.533  0 39  ARG   B CZ  1 ? 
ATOM   1300 N  NH1 . ARG   B 1 65  ? -47.056 26.839 10.607  1.000 51.898  0 39  ARG   B NH1 1 ? 
ATOM   1301 N  NH2 . ARG   B 1 65  ? -49.324 26.998 10.429  1.000 47.896  0 39  ARG   B NH2 1 ? 
ATOM   1302 N  N   . CYS   B 1 66  ? -47.326 25.644 16.166  1.000 26.990  0 40  CYS   B N   1 ? 
ATOM   1303 C  CA  . CYS   B 1 66  ? -47.194 24.241 15.833  1.000 24.621  0 40  CYS   B CA  1 ? 
ATOM   1304 C  C   . CYS   B 1 66  ? -47.265 24.112 14.315  1.000 21.979  0 40  CYS   B C   1 ? 
ATOM   1305 O  O   . CYS   B 1 66  ? -48.296 24.456 13.728  1.000 22.125  0 40  CYS   B O   1 ? 
ATOM   1306 C  CB  . CYS   B 1 66  ? -48.365 23.440 16.383  1.000 23.417  0 40  CYS   B CB  1 ? 
ATOM   1307 S  SG  . CYS   B 1 66  ? -48.672 23.727 18.151  1.000 30.145  0 40  CYS   B SG  1 ? 
ATOM   1308 N  N   . LYS   B 1 67  ? -46.192 23.635 13.666  1.000 19.566  0 41  LYS   B N   1 ? 
ATOM   1309 C  CA  . LYS   B 1 67  ? -46.315 23.354 12.247  1.000 18.654  0 41  LYS   B CA  1 ? 
ATOM   1310 C  C   . LYS   B 1 67  ? -47.317 22.201 12.113  1.000 15.898  0 41  LYS   B C   1 ? 
ATOM   1311 O  O   . LYS   B 1 67  ? -47.097 21.143 12.707  1.000 17.166  0 41  LYS   B O   1 ? 
ATOM   1312 C  CB  . LYS   B 1 67  ? -44.986 22.943 11.614  1.000 17.350  0 41  LYS   B CB  1 ? 
ATOM   1313 C  CG  . LYS   B 1 67  ? -45.080 22.658 10.117  1.000 18.421  0 41  LYS   B CG  1 ? 
ATOM   1314 C  CD  . LYS   B 1 67  ? -43.745 22.494 9.387   1.000 20.714  0 41  LYS   B CD  1 ? 
ATOM   1315 C  CE  . LYS   B 1 67  ? -43.960 22.088 7.960   1.000 23.423  0 41  LYS   B CE  1 ? 
ATOM   1316 N  NZ  . LYS   B 1 67  ? -42.808 21.612 7.211   1.000 26.782  0 41  LYS   B NZ  1 ? 
ATOM   1317 N  N   . PRO   B 1 68  ? -48.455 22.382 11.390  1.000 16.967  0 42  PRO   B N   1 ? 
ATOM   1318 C  CA  . PRO   B 1 68  ? -49.505 21.357 11.444  1.000 15.437  0 42  PRO   B CA  1 ? 
ATOM   1319 C  C   . PRO   B 1 68  ? -49.190 19.995 10.848  1.000 14.660  0 42  PRO   B C   1 ? 
ATOM   1320 O  O   . PRO   B 1 68  ? -49.604 18.967 11.394  1.000 15.644  0 42  PRO   B O   1 ? 
ATOM   1321 C  CB  . PRO   B 1 68  ? -50.659 22.053 10.705  1.000 16.673  0 42  PRO   B CB  1 ? 
ATOM   1322 C  CG  . PRO   B 1 68  ? -50.409 23.542 10.930  1.000 18.001  0 42  PRO   B CG  1 ? 
ATOM   1323 C  CD  . PRO   B 1 68  ? -48.899 23.631 10.757  1.000 17.128  0 42  PRO   B CD  1 ? 
ATOM   1324 N  N   . VAL   B 1 69  ? -48.539 19.997 9.682   1.000 12.861  0 43  VAL   B N   1 ? 
ATOM   1325 C  CA  . VAL   B 1 69  ? -48.298 18.764 8.938   1.000 13.537  0 43  VAL   B CA  1 ? 
ATOM   1326 C  C   . VAL   B 1 69  ? -46.830 18.730 8.491   1.000 14.814  0 43  VAL   B C   1 ? 
ATOM   1327 O  O   . VAL   B 1 69  ? -46.313 19.694 7.908   1.000 14.599  0 43  VAL   B O   1 ? 
ATOM   1328 C  CB  . VAL   B 1 69  ? -49.227 18.727 7.723   1.000 15.083  0 43  VAL   B CB  1 ? 
ATOM   1329 C  CG1 . VAL   B 1 69  ? -48.950 17.579 6.773   1.000 16.796  0 43  VAL   B CG1 1 ? 
ATOM   1330 C  CG2 . VAL   B 1 69  ? -50.706 18.749 8.117   1.000 14.937  0 43  VAL   B CG2 1 ? 
ATOM   1331 N  N   . ASN   B 1 70  ? -46.196 17.584 8.642   1.000 12.320  0 44  ASN   B N   1 ? 
ATOM   1332 C  CA  . ASN   B 1 70  ? -44.808 17.503 8.233   1.000 12.433  0 44  ASN   B CA  1 ? 
ATOM   1333 C  C   . ASN   B 1 70  ? -44.425 16.059 8.048   1.000 13.614  0 44  ASN   B C   1 ? 
ATOM   1334 O  O   . ASN   B 1 70  ? -44.746 15.226 8.898   1.000 17.729  0 44  ASN   B O   1 ? 
ATOM   1335 C  CB  . ASN   B 1 70  ? -43.904 18.128 9.286   1.000 13.223  0 44  ASN   B CB  1 ? 
ATOM   1336 C  CG  . ASN   B 1 70  ? -42.497 18.262 8.769   1.000 15.487  0 44  ASN   B CG  1 ? 
ATOM   1337 O  OD1 . ASN   B 1 70  ? -42.222 19.091 7.886   1.000 18.591  0 44  ASN   B OD1 1 ? 
ATOM   1338 N  ND2 . ASN   B 1 70  ? -41.572 17.497 9.319   1.000 14.433  0 44  ASN   B ND2 1 ? 
ATOM   1339 N  N   . THR   B 1 71  ? -43.710 15.763 6.976   1.000 12.881  0 45  THR   B N   1 ? 
ATOM   1340 C  CA  . THR   B 1 71  ? -43.230 14.428 6.698   1.000 11.616  0 45  THR   B CA  1 ? 
ATOM   1341 C  C   . THR   B 1 71  ? -41.717 14.308 6.924   1.000 12.284  0 45  THR   B C   1 ? 
ATOM   1342 O  O   . THR   B 1 71  ? -40.947 15.159 6.461   1.000 11.628  0 45  THR   B O   1 ? 
ATOM   1343 C  CB  . THR   B 1 71  ? -43.562 14.001 5.267   1.000 12.565  0 45  THR   B CB  1 ? 
ATOM   1344 O  OG1 . THR   B 1 71  ? -44.995 14.033 5.150   1.000 15.169  0 45  THR   B OG1 1 ? 
ATOM   1345 C  CG2 . THR   B 1 71  ? -43.017 12.635 4.898   1.000 13.385  0 45  THR   B CG2 1 ? 
ATOM   1346 N  N   . PHE   B 1 72  ? -41.291 13.193 7.534   1.000 12.823  0 46  PHE   B N   1 ? 
ATOM   1347 C  CA  . PHE   B 1 72  ? -39.886 12.865 7.649   1.000 12.409  0 46  PHE   B CA  1 ? 
ATOM   1348 C  C   . PHE   B 1 72  ? -39.570 11.610 6.822   1.000 14.629  0 46  PHE   B C   1 ? 
ATOM   1349 O  O   . PHE   B 1 72  ? -40.335 10.634 6.789   1.000 13.554  0 46  PHE   B O   1 ? 
ATOM   1350 C  CB  . PHE   B 1 72  ? -39.500 12.559 9.099   1.000 13.261  0 46  PHE   B CB  1 ? 
ATOM   1351 C  CG  . PHE   B 1 72  ? -39.517 13.767 9.987   1.000 13.274  0 46  PHE   B CG  1 ? 
ATOM   1352 C  CD1 . PHE   B 1 72  ? -38.517 14.728 9.917   1.000 14.756  0 46  PHE   B CD1 1 ? 
ATOM   1353 C  CD2 . PHE   B 1 72  ? -40.596 13.975 10.833  1.000 14.438  0 46  PHE   B CD2 1 ? 
ATOM   1354 C  CE1 . PHE   B 1 72  ? -38.563 15.840 10.707  1.000 14.460  0 46  PHE   B CE1 1 ? 
ATOM   1355 C  CE2 . PHE   B 1 72  ? -40.614 15.075 11.661  1.000 14.477  0 46  PHE   B CE2 1 ? 
ATOM   1356 C  CZ  . PHE   B 1 72  ? -39.613 15.993 11.593  1.000 15.077  0 46  PHE   B CZ  1 ? 
ATOM   1357 N  N   . VAL   B 1 73  ? -38.442 11.660 6.096   1.000 12.597  0 47  VAL   B N   1 ? 
ATOM   1358 C  CA  . VAL   B 1 73  ? -38.023 10.587 5.222   1.000 11.486  0 47  VAL   B CA  1 ? 
ATOM   1359 C  C   . VAL   B 1 73  ? -36.855 9.810  5.854   1.000 13.280  0 47  VAL   B C   1 ? 
ATOM   1360 O  O   . VAL   B 1 73  ? -35.889 10.420 6.302   1.000 13.688  0 47  VAL   B O   1 ? 
ATOM   1361 C  CB  . VAL   B 1 73  ? -37.619 11.171 3.854   1.000 12.513  0 47  VAL   B CB  1 ? 
ATOM   1362 C  CG1 . VAL   B 1 73  ? -37.249 10.028 2.913   1.000 12.587  0 47  VAL   B CG1 1 ? 
ATOM   1363 C  CG2 . VAL   B 1 73  ? -38.705 12.020 3.228   1.000 12.671  0 47  VAL   B CG2 1 ? 
ATOM   1364 N  N   A HIS   B 1 74  ? -36.912 8.472  5.915   0.500 13.554  0 48  HIS   B N   1 ? 
ATOM   1365 N  N   B HIS   B 1 74  ? -37.027 8.470  5.880   0.500 14.321  0 48  HIS   B N   1 ? 
ATOM   1366 C  CA  A HIS   B 1 74  ? -35.886 7.747  6.662   0.500 14.459  0 48  HIS   B CA  1 ? 
ATOM   1367 C  CA  B HIS   B 1 74  ? -36.123 7.506  6.498   0.500 16.271  0 48  HIS   B CA  1 ? 
ATOM   1368 C  C   A HIS   B 1 74  ? -34.787 7.129  5.795   0.500 14.304  0 48  HIS   B C   1 ? 
ATOM   1369 C  C   B HIS   B 1 74  ? -35.372 6.700  5.447   0.500 16.141  0 48  HIS   B C   1 ? 
ATOM   1370 O  O   A HIS   B 1 74  ? -33.860 6.500  6.302   0.500 15.124  0 48  HIS   B O   1 ? 
ATOM   1371 O  O   B HIS   B 1 74  ? -35.463 5.471  5.375   0.500 17.413  0 48  HIS   B O   1 ? 
ATOM   1372 C  CB  A HIS   B 1 74  ? -36.523 6.676  7.546   0.500 14.434  0 48  HIS   B CB  1 ? 
ATOM   1373 C  CB  B HIS   B 1 74  ? -36.936 6.528  7.347   0.500 16.119  0 48  HIS   B CB  1 ? 
ATOM   1374 C  CG  A HIS   B 1 74  ? -37.526 7.257  8.454   0.500 14.849  0 48  HIS   B CG  1 ? 
ATOM   1375 C  CG  B HIS   B 1 74  ? -37.776 7.264  8.307   0.500 17.214  0 48  HIS   B CG  1 ? 
ATOM   1376 N  ND1 A HIS   B 1 74  ? -37.215 8.139  9.466   0.500 14.427  0 48  HIS   B ND1 1 ? 
ATOM   1377 N  ND1 B HIS   B 1 74  ? -37.300 8.383  8.953   0.500 16.510  0 48  HIS   B ND1 1 ? 
ATOM   1378 C  CD2 A HIS   B 1 74  ? -38.850 7.114  8.457   0.500 14.739  0 48  HIS   B CD2 1 ? 
ATOM   1379 C  CD2 B HIS   B 1 74  ? -39.023 7.077  8.730   0.500 18.025  0 48  HIS   B CD2 1 ? 
ATOM   1380 C  CE1 A HIS   B 1 74  ? -38.339 8.463  10.103  0.500 15.242  0 48  HIS   B CE1 1 ? 
ATOM   1381 C  CE1 B HIS   B 1 74  ? -38.255 8.850  9.754   0.500 18.665  0 48  HIS   B CE1 1 ? 
ATOM   1382 N  NE2 A HIS   B 1 74  ? -39.344 7.852  9.505   0.500 14.709  0 48  HIS   B NE2 1 ? 
ATOM   1383 N  NE2 B HIS   B 1 74  ? -39.311 8.062  9.637   0.500 17.883  0 48  HIS   B NE2 1 ? 
ATOM   1384 N  N   . GLU   B 1 75  ? -34.775 7.414  4.503   1.000 14.545  0 49  GLU   B N   1 ? 
ATOM   1385 C  CA  . GLU   B 1 75  ? -33.803 6.848  3.595   1.000 14.481  0 49  GLU   B CA  1 ? 
ATOM   1386 C  C   . GLU   B 1 75  ? -32.524 7.686  3.695   1.000 14.017  0 49  GLU   B C   1 ? 
ATOM   1387 O  O   . GLU   B 1 75  ? -32.494 8.732  4.316   1.000 15.077  0 49  GLU   B O   1 ? 
ATOM   1388 C  CB  . GLU   B 1 75  ? -34.336 6.825  2.167   1.000 15.326  0 49  GLU   B CB  1 ? 
ATOM   1389 C  CG  . GLU   B 1 75  ? -35.659 6.097  1.993   1.000 16.187  0 49  GLU   B CG  1 ? 
ATOM   1390 C  CD  . GLU   B 1 75  ? -35.612 4.600  2.251   1.000 19.077  0 49  GLU   B CD  1 ? 
ATOM   1391 O  OE1 . GLU   B 1 75  ? -34.488 4.047  2.273   1.000 19.782  0 49  GLU   B OE1 1 ? 
ATOM   1392 O  OE2 . GLU   B 1 75  ? -36.699 4.004  2.485   1.000 18.472  0 49  GLU   B OE2 1 ? 
ATOM   1393 N  N   . SER   B 1 76  ? -31.451 7.198  3.111   1.000 14.413  0 50  SER   B N   1 ? 
ATOM   1394 C  CA  . SER   B 1 76  ? -30.191 7.909  3.137   1.000 13.352  0 50  SER   B CA  1 ? 
ATOM   1395 C  C   . SER   B 1 76  ? -30.344 9.239  2.393   1.000 12.960  0 50  SER   B C   1 ? 
ATOM   1396 O  O   . SER   B 1 76  ? -31.142 9.349  1.451   1.000 11.557  0 50  SER   B O   1 ? 
ATOM   1397 C  CB  . SER   B 1 76  ? -29.100 7.081  2.526   1.000 16.268  0 50  SER   B CB  1 ? 
ATOM   1398 O  OG  . SER   B 1 76  ? -29.265 6.976  1.118   1.000 15.624  0 50  SER   B OG  1 ? 
ATOM   1399 N  N   . LEU   B 1 77  ? -29.560 10.239 2.792   1.000 13.274  0 51  LEU   B N   1 ? 
ATOM   1400 C  CA  . LEU   B 1 77  ? -29.544 11.502 2.083   1.000 12.834  0 51  LEU   B CA  1 ? 
ATOM   1401 C  C   . LEU   B 1 77  ? -29.206 11.279 0.626   1.000 12.292  0 51  LEU   B C   1 ? 
ATOM   1402 O  O   . LEU   B 1 77  ? -29.787 11.918 -0.272  1.000 14.372  0 51  LEU   B O   1 ? 
ATOM   1403 C  CB  . LEU   B 1 77  ? -28.549 12.460 2.736   1.000 12.971  0 51  LEU   B CB  1 ? 
ATOM   1404 C  CG  . LEU   B 1 77  ? -28.499 13.858 2.126   1.000 15.072  0 51  LEU   B CG  1 ? 
ATOM   1405 C  CD1 . LEU   B 1 77  ? -29.800 14.548 2.178   1.000 14.408  0 51  LEU   B CD1 1 ? 
ATOM   1406 C  CD2 . LEU   B 1 77  ? -27.418 14.723 2.810   1.000 16.268  0 51  LEU   B CD2 1 ? 
ATOM   1407 N  N   . ALA   B 1 78  ? -28.264 10.371 0.332   1.000 12.976  0 52  ALA   B N   1 ? 
ATOM   1408 C  CA  . ALA   B 1 78  ? -27.903 10.106 -1.065  1.000 13.555  0 52  ALA   B CA  1 ? 
ATOM   1409 C  C   . ALA   B 1 78  ? -29.113 9.623  -1.861  1.000 12.606  0 52  ALA   B C   1 ? 
ATOM   1410 O  O   . ALA   B 1 78  ? -29.319 10.019 -3.006  1.000 13.538  0 52  ALA   B O   1 ? 
ATOM   1411 C  CB  . ALA   B 1 78  ? -26.792 9.071  -1.144  1.000 16.339  0 52  ALA   B CB  1 ? 
ATOM   1412 N  N   . ASP   B 1 79  ? -29.884 8.734  -1.251  1.000 11.908  0 53  ASP   B N   1 ? 
ATOM   1413 C  CA  . ASP   B 1 79  ? -31.038 8.198  -1.955  1.000 11.662  0 53  ASP   B CA  1 ? 
ATOM   1414 C  C   . ASP   B 1 79  ? -32.093 9.285  -2.198  1.000 11.438  0 53  ASP   B C   1 ? 
ATOM   1415 O  O   . ASP   B 1 79  ? -32.728 9.270  -3.252  1.000 11.619  0 53  ASP   B O   1 ? 
ATOM   1416 C  CB  . ASP   B 1 79  ? -31.653 7.009  -1.261  1.000 13.227  0 53  ASP   B CB  1 ? 
ATOM   1417 C  CG  . ASP   B 1 79  ? -30.934 5.679  -1.430  1.000 17.957  0 53  ASP   B CG  1 ? 
ATOM   1418 O  OD1 . ASP   B 1 79  ? -29.914 5.651  -2.156  1.000 20.311  0 53  ASP   B OD1 1 ? 
ATOM   1419 O  OD2 . ASP   B 1 79  ? -31.432 4.700  -0.794  1.000 21.013  0 53  ASP   B OD2 1 ? 
ATOM   1420 N  N   . VAL   B 1 80  ? -32.267 10.185 -1.238  1.000 10.659  0 54  VAL   B N   1 ? 
ATOM   1421 C  CA  . VAL   B 1 80  ? -33.264 11.241 -1.422  1.000 9.755   0 54  VAL   B CA  1 ? 
ATOM   1422 C  C   . VAL   B 1 80  ? -32.765 12.276 -2.441  1.000 9.398   0 54  VAL   B C   1 ? 
ATOM   1423 O  O   . VAL   B 1 80  ? -33.525 12.651 -3.333  1.000 9.391   0 54  VAL   B O   1 ? 
ATOM   1424 C  CB  . VAL   B 1 80  ? -33.611 11.865 -0.062  1.000 10.703  0 54  VAL   B CB  1 ? 
ATOM   1425 C  CG1 . VAL   B 1 80  ? -34.507 13.083 -0.179  1.000 12.287  0 54  VAL   B CG1 1 ? 
ATOM   1426 C  CG2 . VAL   B 1 80  ? -34.242 10.864 0.883   1.000 10.805  0 54  VAL   B CG2 1 ? 
ATOM   1427 N  N   . GLN   B 1 81  ? -31.457 12.621 -2.395  1.000 9.487   0 55  GLN   B N   1 ? 
ATOM   1428 C  CA  . GLN   B 1 81  ? -30.922 13.546 -3.384  1.000 10.261  0 55  GLN   B CA  1 ? 
ATOM   1429 C  C   . GLN   B 1 81  ? -31.017 12.978 -4.797  1.000 10.338  0 55  GLN   B C   1 ? 
ATOM   1430 O  O   . GLN   B 1 81  ? -31.203 13.705 -5.770  1.000 10.804  0 55  GLN   B O   1 ? 
ATOM   1431 C  CB  . GLN   B 1 81  ? -29.476 13.875 -3.014  1.000 10.659  0 55  GLN   B CB  1 ? 
ATOM   1432 C  CG  . GLN   B 1 81  ? -29.343 14.760 -1.790  1.000 11.802  0 55  GLN   B CG  1 ? 
ATOM   1433 C  CD  . GLN   B 1 81  ? -27.906 15.046 -1.447  1.000 15.186  0 55  GLN   B CD  1 ? 
ATOM   1434 O  OE1 . GLN   B 1 81  ? -27.010 14.338 -1.908  1.000 18.177  0 55  GLN   B OE1 1 ? 
ATOM   1435 N  NE2 . GLN   B 1 81  ? -27.706 16.058 -0.630  1.000 14.878  0 55  GLN   B NE2 1 ? 
ATOM   1436 N  N   . ALA   B 1 82  ? -30.916 11.653 -4.935  1.000 10.675  0 56  ALA   B N   1 ? 
ATOM   1437 C  CA  . ALA   B 1 82  ? -30.997 11.005 -6.226  1.000 10.934  0 56  ALA   B CA  1 ? 
ATOM   1438 C  C   . ALA   B 1 82  ? -32.380 11.146 -6.865  1.000 10.269  0 56  ALA   B C   1 ? 
ATOM   1439 O  O   . ALA   B 1 82  ? -32.471 11.050 -8.077  1.000 10.916  0 56  ALA   B O   1 ? 
ATOM   1440 C  CB  . ALA   B 1 82  ? -30.659 9.532  -6.059  1.000 10.225  0 56  ALA   B CB  1 ? 
ATOM   1441 N  N   . VAL   B 1 83  ? -33.399 11.488 -6.061  1.000 9.394   0 57  VAL   B N   1 ? 
ATOM   1442 C  CA  . VAL   B 1 83  ? -34.732 11.696 -6.622  1.000 9.538   0 57  VAL   B CA  1 ? 
ATOM   1443 C  C   . VAL   B 1 83  ? -34.729 12.810 -7.672  1.000 9.788   0 57  VAL   B C   1 ? 
ATOM   1444 O  O   . VAL   B 1 83  ? -35.532 12.812 -8.602  1.000 9.506   0 57  VAL   B O   1 ? 
ATOM   1445 C  CB  . VAL   B 1 83  ? -35.747 11.893 -5.490  1.000 9.570   0 57  VAL   B CB  1 ? 
ATOM   1446 C  CG1 . VAL   B 1 83  ? -37.130 12.201 -6.013  1.000 9.242   0 57  VAL   B CG1 1 ? 
ATOM   1447 C  CG2 . VAL   B 1 83  ? -35.850 10.608 -4.659  1.000 9.852   0 57  VAL   B CG2 1 ? 
ATOM   1448 N  N   . CYS   B 1 84  ? -33.803 13.768 -7.501  1.000 10.498  0 58  CYS   B N   1 ? 
ATOM   1449 C  CA  . CYS   B 1 84  ? -33.658 14.873 -8.439  1.000 11.338  0 58  CYS   B CA  1 ? 
ATOM   1450 C  C   . CYS   B 1 84  ? -33.258 14.462 -9.852  1.000 10.849  0 58  CYS   B C   1 ? 
ATOM   1451 O  O   . CYS   B 1 84  ? -33.290 15.306 -10.737 1.000 13.279  0 58  CYS   B O   1 ? 
ATOM   1452 C  CB  . CYS   B 1 84  ? -32.716 15.930 -7.868  1.000 11.059  0 58  CYS   B CB  1 ? 
ATOM   1453 S  SG  . CYS   B 1 84  ? -33.284 16.653 -6.309  1.000 13.576  0 58  CYS   B SG  1 ? 
ATOM   1454 N  N   A SER   B 1 85  ? -32.893 13.175 -10.028 0.500 10.790  0 59  SER   B N   1 ? 
ATOM   1455 N  N   B SER   B 1 85  ? -32.932 13.175 -10.044 0.500 11.442  0 59  SER   B N   1 ? 
ATOM   1456 C  CA  A SER   B 1 85  ? -32.604 12.597 -11.337 0.500 12.029  0 59  SER   B CA  1 ? 
ATOM   1457 C  CA  B SER   B 1 85  ? -32.623 12.656 -11.366 0.500 13.241  0 59  SER   B CA  1 ? 
ATOM   1458 C  C   A SER   B 1 85  ? -33.600 11.501 -11.704 0.500 11.520  0 59  SER   B C   1 ? 
ATOM   1459 C  C   B SER   B 1 85  ? -33.660 11.636 -11.833 0.500 12.171  0 59  SER   B C   1 ? 
ATOM   1460 O  O   A SER   B 1 85  ? -33.281 10.592 -12.472 0.500 10.821  0 59  SER   B O   1 ? 
ATOM   1461 O  O   B SER   B 1 85  ? -33.451 10.978 -12.853 0.500 12.016  0 59  SER   B O   1 ? 
ATOM   1462 C  CB  A SER   B 1 85  ? -31.220 12.021 -11.366 0.500 12.367  0 59  SER   B CB  1 ? 
ATOM   1463 C  CB  B SER   B 1 85  ? -31.241 12.071 -11.360 0.500 14.484  0 59  SER   B CB  1 ? 
ATOM   1464 O  OG  A SER   B 1 85  ? -31.111 10.896 -10.511 0.500 13.417  0 59  SER   B OG  1 ? 
ATOM   1465 O  OG  B SER   B 1 85  ? -30.295 13.096 -11.065 0.500 17.277  0 59  SER   B OG  1 ? 
ATOM   1466 N  N   . GLN   B 1 86  ? -34.814 11.544 -11.143 1.000 11.760  0 60  GLN   B N   1 ? 
ATOM   1467 C  CA  . GLN   B 1 86  ? -35.828 10.519 -11.418 1.000 11.075  0 60  GLN   B CA  1 ? 
ATOM   1468 C  C   . GLN   B 1 86  ? -36.990 11.133 -12.203 1.000 11.081  0 60  GLN   B C   1 ? 
ATOM   1469 O  O   . GLN   B 1 86  ? -36.730 11.774 -13.214 1.000 13.475  0 60  GLN   B O   1 ? 
ATOM   1470 C  CB  . GLN   B 1 86  ? -36.139 9.766  -10.133 1.000 9.861   0 60  GLN   B CB  1 ? 
ATOM   1471 C  CG  . GLN   B 1 86  ? -34.872 9.039  -9.630  1.000 10.432  0 60  GLN   B CG  1 ? 
ATOM   1472 C  CD  . GLN   B 1 86  ? -34.984 8.357  -8.289  1.000 9.651   0 60  GLN   B CD  1 ? 
ATOM   1473 O  OE1 . GLN   B 1 86  ? -36.064 8.080  -7.769  1.000 11.250  0 60  GLN   B OE1 1 ? 
ATOM   1474 N  NE2 . GLN   B 1 86  ? -33.838 8.008  -7.721  1.000 10.183  0 60  GLN   B NE2 1 ? 
ATOM   1475 N  N   . LYS   B 1 87  ? -38.240 10.955 -11.766 1.000 11.501  0 61  LYS   B N   1 ? 
ATOM   1476 C  CA  . LYS   B 1 87  ? -39.370 11.220 -12.658 1.000 12.771  0 61  LYS   B CA  1 ? 
ATOM   1477 C  C   . LYS   B 1 87  ? -39.780 12.687 -12.502 1.000 11.604  0 61  LYS   B C   1 ? 
ATOM   1478 O  O   . LYS   B 1 87  ? -40.331 13.111 -11.487 1.000 11.612  0 61  LYS   B O   1 ? 
ATOM   1479 C  CB  . LYS   B 1 87  ? -40.589 10.340 -12.324 1.000 15.417  0 61  LYS   B CB  1 ? 
ATOM   1480 C  CG  . LYS   B 1 87  ? -41.738 10.488 -13.302 1.000 18.987  0 61  LYS   B CG  1 ? 
ATOM   1481 C  CD  . LYS   B 1 87  ? -43.022 9.753  -12.958 1.000 25.505  0 61  LYS   B CD  1 ? 
ATOM   1482 C  CE  . LYS   B 1 87  ? -43.803 9.476  -14.216 1.000 31.037  0 61  LYS   B CE  1 ? 
ATOM   1483 N  NZ  . LYS   B 1 87  ? -44.738 8.385  -13.930 1.000 36.095  0 61  LYS   B NZ  1 ? 
ATOM   1484 N  N   . ASN   B 1 88  ? -39.497 13.479 -13.515 1.000 12.079  0 62  ASN   B N   1 ? 
ATOM   1485 C  CA  . ASN   B 1 88  ? -39.924 14.875 -13.497 1.000 10.806  0 62  ASN   B CA  1 ? 
ATOM   1486 C  C   . ASN   B 1 88  ? -41.453 14.981 -13.611 1.000 11.360  0 62  ASN   B C   1 ? 
ATOM   1487 O  O   . ASN   B 1 88  ? -42.087 14.303 -14.441 1.000 11.977  0 62  ASN   B O   1 ? 
ATOM   1488 C  CB  . ASN   B 1 88  ? -39.287 15.616 -14.669 1.000 12.329  0 62  ASN   B CB  1 ? 
ATOM   1489 C  CG  . ASN   B 1 88  ? -39.523 17.106 -14.714 1.000 13.651  0 62  ASN   B CG  1 ? 
ATOM   1490 O  OD1 . ASN   B 1 88  ? -39.720 17.619 -15.838 1.000 16.803  0 62  ASN   B OD1 1 ? 
ATOM   1491 N  ND2 . ASN   B 1 88  ? -39.437 17.841 -13.620 1.000 12.987  0 62  ASN   B ND2 1 ? 
ATOM   1492 N  N   . VAL   B 1 89  ? -42.017 15.820 -12.732 1.000 10.984  0 63  VAL   B N   1 ? 
ATOM   1493 C  CA  . VAL   B 1 89  ? -43.466 16.085 -12.653 1.000 11.974  0 63  VAL   B CA  1 ? 
ATOM   1494 C  C   . VAL   B 1 89  ? -43.675 17.556 -12.303 1.000 12.073  0 63  VAL   B C   1 ? 
ATOM   1495 O  O   . VAL   B 1 89  ? -42.816 18.198 -11.736 1.000 12.694  0 63  VAL   B O   1 ? 
ATOM   1496 C  CB  . VAL   B 1 89  ? -44.156 15.196 -11.598 1.000 12.757  0 63  VAL   B CB  1 ? 
ATOM   1497 C  CG1 . VAL   B 1 89  ? -44.011 13.721 -11.964 1.000 14.251  0 63  VAL   B CG1 1 ? 
ATOM   1498 C  CG2 . VAL   B 1 89  ? -43.666 15.452 -10.207 1.000 12.659  0 63  VAL   B CG2 1 ? 
ATOM   1499 N  N   . ALA   B 1 90  ? -44.895 18.072 -12.532 1.000 14.407  0 64  ALA   B N   1 ? 
ATOM   1500 C  CA  . ALA   B 1 90  ? -45.152 19.417 -12.041 1.000 14.990  0 64  ALA   B CA  1 ? 
ATOM   1501 C  C   . ALA   B 1 90  ? -45.294 19.422 -10.530 1.000 14.856  0 64  ALA   B C   1 ? 
ATOM   1502 O  O   . ALA   B 1 90  ? -45.711 18.430 -9.922  1.000 14.674  0 64  ALA   B O   1 ? 
ATOM   1503 C  CB  . ALA   B 1 90  ? -46.447 19.983 -12.599 1.000 16.004  0 64  ALA   B CB  1 ? 
ATOM   1504 N  N   . CYS   B 1 91  ? -44.950 20.580 -9.936  1.000 14.691  0 65  CYS   B N   1 ? 
ATOM   1505 C  CA  . CYS   B 1 91  ? -45.143 20.847 -8.541  1.000 14.215  0 65  CYS   B CA  1 ? 
ATOM   1506 C  C   . CYS   B 1 91  ? -46.545 21.398 -8.290  1.000 15.490  0 65  CYS   B C   1 ? 
ATOM   1507 O  O   . CYS   B 1 91  ? -47.137 21.928 -9.222  1.000 15.979  0 65  CYS   B O   1 ? 
ATOM   1508 C  CB  . CYS   B 1 91  ? -44.188 21.933 -8.040  1.000 15.098  0 65  CYS   B CB  1 ? 
ATOM   1509 S  SG  . CYS   B 1 91  ? -42.420 21.615 -8.312  1.000 16.980  0 65  CYS   B SG  1 ? 
ATOM   1510 N  N   . LYS   B 1 92  ? -47.019 21.308 -7.059  1.000 15.398  0 66  LYS   B N   1 ? 
ATOM   1511 C  CA  . LYS   B 1 92  ? -48.299 21.888 -6.660  1.000 18.174  0 66  LYS   B CA  1 ? 
ATOM   1512 C  C   . LYS   B 1 92  ? -48.438 23.355 -7.064  1.000 19.421  0 66  LYS   B C   1 ? 
ATOM   1513 O  O   . LYS   B 1 92  ? -49.528 23.763 -7.515  1.000 19.403  0 66  LYS   B O   1 ? 
ATOM   1514 C  CB  . LYS   B 1 92  ? -48.497 21.692 -5.157  1.000 21.830  0 66  LYS   B CB  1 ? 
ATOM   1515 C  CG  . LYS   B 1 92  ? -48.882 20.291 -4.909  1.000 30.414  0 66  LYS   B CG  1 ? 
ATOM   1516 C  CD  . LYS   B 1 92  ? -48.708 19.801 -3.483  1.000 36.623  0 66  LYS   B CD  1 ? 
ATOM   1517 C  CE  . LYS   B 1 92  ? -48.973 18.322 -3.474  1.000 34.842  0 66  LYS   B CE  1 ? 
ATOM   1518 N  NZ  . LYS   B 1 92  ? -50.327 18.050 -2.976  1.000 37.975  0 66  LYS   B NZ  1 ? 
ATOM   1519 N  N   . ASN   B 1 93  ? -47.336 24.097 -6.958  1.000 18.035  0 67  ASN   B N   1 ? 
ATOM   1520 C  CA  . ASN   B 1 93  ? -47.386 25.532 -7.198  1.000 20.568  0 67  ASN   B CA  1 ? 
ATOM   1521 C  C   . ASN   B 1 93  ? -47.288 25.858 -8.681  1.000 19.339  0 67  ASN   B C   1 ? 
ATOM   1522 O  O   . ASN   B 1 93  ? -47.273 27.048 -9.036  1.000 22.280  0 67  ASN   B O   1 ? 
ATOM   1523 C  CB  . ASN   B 1 93  ? -46.309 26.246 -6.404  1.000 21.233  0 67  ASN   B CB  1 ? 
ATOM   1524 C  CG  . ASN   B 1 93  ? -44.915 25.921 -6.880  1.000 22.561  0 67  ASN   B CG  1 ? 
ATOM   1525 O  OD1 . ASN   B 1 93  ? -44.712 25.211 -7.873  1.000 19.374  0 67  ASN   B OD1 1 ? 
ATOM   1526 N  ND2 . ASN   B 1 93  ? -43.924 26.435 -6.166  1.000 24.260  0 67  ASN   B ND2 1 ? 
ATOM   1527 N  N   . GLY   B 1 94  ? -47.166 24.856 -9.546  1.000 18.781  0 68  GLY   B N   1 ? 
ATOM   1528 C  CA  . GLY   B 1 94  ? -47.131 25.081 -10.980 1.000 17.111  0 68  GLY   B CA  1 ? 
ATOM   1529 C  C   . GLY   B 1 94  ? -45.733 25.098 -11.607 1.000 16.831  0 68  GLY   B C   1 ? 
ATOM   1530 O  O   . GLY   B 1 94  ? -45.567 25.013 -12.840 1.000 19.718  0 68  GLY   B O   1 ? 
ATOM   1531 N  N   . GLN   B 1 95  ? -44.722 25.257 -10.760 1.000 17.177  0 69  GLN   B N   1 ? 
ATOM   1532 C  CA  . GLN   B 1 95  ? -43.347 25.100 -11.216 1.000 17.274  0 69  GLN   B CA  1 ? 
ATOM   1533 C  C   . GLN   B 1 95  ? -43.160 23.666 -11.715 1.000 17.542  0 69  GLN   B C   1 ? 
ATOM   1534 O  O   . GLN   B 1 95  ? -43.932 22.777 -11.300 1.000 19.147  0 69  GLN   B O   1 ? 
ATOM   1535 C  CB  . GLN   B 1 95  ? -42.356 25.446 -10.108 1.000 18.679  0 69  GLN   B CB  1 ? 
ATOM   1536 C  CG  . GLN   B 1 95  ? -42.328 26.944 -9.804  1.000 21.309  0 69  GLN   B CG  1 ? 
ATOM   1537 C  CD  . GLN   B 1 95  ? -41.894 27.739 -11.024 1.000 30.120  0 69  GLN   B CD  1 ? 
ATOM   1538 O  OE1 . GLN   B 1 95  ? -40.844 27.472 -11.636 1.000 34.549  0 69  GLN   B OE1 1 ? 
ATOM   1539 N  NE2 . GLN   B 1 95  ? -42.733 28.680 -11.435 1.000 33.852  0 69  GLN   B NE2 1 ? 
ATOM   1540 N  N   . THR   B 1 96  ? -42.139 23.450 -12.540 1.000 15.671  0 70  THR   B N   1 ? 
ATOM   1541 C  CA  . THR   B 1 96  ? -41.958 22.131 -13.127 1.000 17.591  0 70  THR   B CA  1 ? 
ATOM   1542 C  C   . THR   B 1 96  ? -40.622 21.496 -12.723 1.000 17.088  0 70  THR   B C   1 ? 
ATOM   1543 O  O   . THR   B 1 96  ? -40.188 20.585 -13.405 1.000 17.453  0 70  THR   B O   1 ? 
ATOM   1544 C  CB  . THR   B 1 96  ? -42.122 22.168 -14.644 1.000 23.507  0 70  THR   B CB  1 ? 
ATOM   1545 O  OG1 . THR   B 1 96  ? -41.228 23.176 -15.097 1.000 24.228  0 70  THR   B OG1 1 ? 
ATOM   1546 C  CG2 . THR   B 1 96  ? -43.579 22.424 -14.997 1.000 25.211  0 70  THR   B CG2 1 ? 
ATOM   1547 N  N   . ASN   B 1 97  ? -40.026 21.903 -11.594 1.000 14.190  0 71  ASN   B N   1 ? 
ATOM   1548 C  CA  . ASN   B 1 97  ? -38.773 21.360 -11.088 1.000 12.652  0 71  ASN   B CA  1 ? 
ATOM   1549 C  C   . ASN   B 1 97  ? -39.016 20.335 -9.980  1.000 11.723  0 71  ASN   B C   1 ? 
ATOM   1550 O  O   . ASN   B 1 97  ? -38.200 20.214 -9.070  1.000 11.709  0 71  ASN   B O   1 ? 
ATOM   1551 C  CB  . ASN   B 1 97  ? -37.839 22.451 -10.563 1.000 12.093  0 71  ASN   B CB  1 ? 
ATOM   1552 C  CG  . ASN   B 1 97  ? -38.402 23.245 -9.412  1.000 12.128  0 71  ASN   B CG  1 ? 
ATOM   1553 O  OD1 . ASN   B 1 97  ? -39.572 23.638 -9.436  1.000 14.781  0 71  ASN   B OD1 1 ? 
ATOM   1554 N  ND2 . ASN   B 1 97  ? -37.595 23.534 -8.421  1.000 12.551  0 71  ASN   B ND2 1 ? 
ATOM   1555 N  N   . CYS   B 1 98  ? -40.144 19.619 -10.047 1.000 11.934  0 72  CYS   B N   1 ? 
ATOM   1556 C  CA  . CYS   B 1 98  ? -40.423 18.541 -9.095  1.000 10.955  0 72  CYS   B CA  1 ? 
ATOM   1557 C  C   . CYS   B 1 98  ? -40.113 17.194 -9.716  1.000 10.805  0 72  CYS   B C   1 ? 
ATOM   1558 O  O   . CYS   B 1 98  ? -40.132 16.984 -10.924 1.000 12.293  0 72  CYS   B O   1 ? 
ATOM   1559 C  CB  . CYS   B 1 98  ? -41.867 18.581 -8.563  1.000 12.424  0 72  CYS   B CB  1 ? 
ATOM   1560 S  SG  . CYS   B 1 98  ? -42.090 19.864 -7.296  1.000 15.792  0 72  CYS   B SG  1 ? 
ATOM   1561 N  N   . TYR   B 1 99  ? -39.811 16.302 -8.786  1.000 9.928   0 73  TYR   B N   1 ? 
ATOM   1562 C  CA  . TYR   B 1 99  ? -39.388 14.945 -9.100  1.000 9.569   0 73  TYR   B CA  1 ? 
ATOM   1563 C  C   . TYR   B 1 99  ? -40.054 13.990 -8.108  1.000 10.102  0 73  TYR   B C   1 ? 
ATOM   1564 O  O   . TYR   B 1 99  ? -39.967 14.179 -6.874  1.000 10.291  0 73  TYR   B O   1 ? 
ATOM   1565 C  CB  . TYR   B 1 99  ? -37.848 14.895 -9.021  1.000 9.782   0 73  TYR   B CB  1 ? 
ATOM   1566 C  CG  . TYR   B 1 99  ? -37.191 15.682 -10.137 1.000 10.606  0 73  TYR   B CG  1 ? 
ATOM   1567 C  CD1 . TYR   B 1 99  ? -36.979 17.024 -9.954  1.000 11.971  0 73  TYR   B CD1 1 ? 
ATOM   1568 C  CD2 . TYR   B 1 99  ? -36.850 15.096 -11.317 1.000 12.315  0 73  TYR   B CD2 1 ? 
ATOM   1569 C  CE1 . TYR   B 1 99  ? -36.469 17.801 -10.984 1.000 12.224  0 73  TYR   B CE1 1 ? 
ATOM   1570 C  CE2 . TYR   B 1 99  ? -36.356 15.852 -12.357 1.000 13.281  0 73  TYR   B CE2 1 ? 
ATOM   1571 C  CZ  . TYR   B 1 99  ? -36.141 17.195 -12.164 1.000 13.733  0 73  TYR   B CZ  1 ? 
ATOM   1572 O  OH  . TYR   B 1 99  ? -35.661 17.942 -13.212 1.000 19.531  0 73  TYR   B OH  1 ? 
ATOM   1573 N  N   . GLN   B 1 100 ? -40.573 12.901 -8.694  1.000 10.596  0 74  GLN   B N   1 ? 
ATOM   1574 C  CA  . GLN   B 1 100 ? -41.136 11.785 -7.976  1.000 11.435  0 74  GLN   B CA  1 ? 
ATOM   1575 C  C   . GLN   B 1 100 ? -40.111 10.658 -7.927  1.000 9.872   0 74  GLN   B C   1 ? 
ATOM   1576 O  O   . GLN   B 1 100 ? -39.548 10.299 -8.977  1.000 10.900  0 74  GLN   B O   1 ? 
ATOM   1577 C  CB  . GLN   B 1 100 ? -42.402 11.285 -8.660  1.000 12.896  0 74  GLN   B CB  1 ? 
ATOM   1578 C  CG  . GLN   B 1 100 ? -43.077 10.146 -7.889  1.000 14.485  0 74  GLN   B CG  1 ? 
ATOM   1579 C  CD  . GLN   B 1 100 ? -43.766 9.148  -8.781  1.000 22.613  0 74  GLN   B CD  1 ? 
ATOM   1580 O  OE1 . GLN   B 1 100 ? -43.271 8.027  -9.027  1.000 28.880  0 74  GLN   B OE1 1 ? 
ATOM   1581 N  NE2 . GLN   B 1 100 ? -44.872 9.583  -9.342  1.000 20.730  0 74  GLN   B NE2 1 ? 
ATOM   1582 N  N   . SER   B 1 101 ? -39.952 10.091 -6.738  1.000 10.940  0 75  SER   B N   1 ? 
ATOM   1583 C  CA  . SER   B 1 101 ? -39.064 8.958  -6.552  1.000 10.973  0 75  SER   B CA  1 ? 
ATOM   1584 C  C   . SER   B 1 101 ? -39.632 7.764  -7.324  1.000 12.271  0 75  SER   B C   1 ? 
ATOM   1585 O  O   . SER   B 1 101 ? -40.844 7.473  -7.309  1.000 11.768  0 75  SER   B O   1 ? 
ATOM   1586 C  CB  . SER   B 1 101 ? -38.877 8.667  -5.077  1.000 11.721  0 75  SER   B CB  1 ? 
ATOM   1587 O  OG  . SER   B 1 101 ? -40.085 8.202  -4.463  1.000 11.758  0 75  SER   B OG  1 ? 
ATOM   1588 N  N   . TYR   B 1 102 ? -38.783 7.062  -8.071  1.000 11.392  0 76  TYR   B N   1 ? 
ATOM   1589 C  CA  . TYR   B 1 102 ? -39.223 5.860  -8.750  1.000 11.153  0 76  TYR   B CA  1 ? 
ATOM   1590 C  C   . TYR   B 1 102 ? -39.653 4.761  -7.762  1.000 11.243  0 76  TYR   B C   1 ? 
ATOM   1591 O  O   . TYR   B 1 102 ? -40.605 4.035  -8.029  1.000 13.806  0 76  TYR   B O   1 ? 
ATOM   1592 C  CB  . TYR   B 1 102 ? -38.075 5.317  -9.592  1.000 11.713  0 76  TYR   B CB  1 ? 
ATOM   1593 C  CG  . TYR   B 1 102 ? -37.627 6.145  -10.791 1.000 10.663  0 76  TYR   B CG  1 ? 
ATOM   1594 C  CD1 . TYR   B 1 102 ? -38.497 6.844  -11.602 1.000 10.519  0 76  TYR   B CD1 1 ? 
ATOM   1595 C  CD2 . TYR   B 1 102 ? -36.295 6.106  -11.173 1.000 11.000  0 76  TYR   B CD2 1 ? 
ATOM   1596 C  CE1 . TYR   B 1 102 ? -38.073 7.511  -12.743 1.000 11.143  0 76  TYR   B CE1 1 ? 
ATOM   1597 C  CE2 . TYR   B 1 102 ? -35.847 6.779  -12.291 1.000 10.270  0 76  TYR   B CE2 1 ? 
ATOM   1598 C  CZ  . TYR   B 1 102 ? -36.730 7.530  -13.056 1.000 10.569  0 76  TYR   B CZ  1 ? 
ATOM   1599 O  OH  . TYR   B 1 102 ? -36.247 8.135  -14.191 1.000 11.715  0 76  TYR   B OH  1 ? 
ATOM   1600 N  N   . SER   B 1 103 ? -38.945 4.643  -6.671  1.000 11.577  0 77  SER   B N   1 ? 
ATOM   1601 C  CA  . SER   B 1 103 ? -39.227 3.654  -5.654  1.000 12.886  0 77  SER   B CA  1 ? 
ATOM   1602 C  C   . SER   B 1 103 ? -40.056 4.260  -4.532  1.000 12.237  0 77  SER   B C   1 ? 
ATOM   1603 O  O   . SER   B 1 103 ? -40.024 5.473  -4.240  1.000 13.601  0 77  SER   B O   1 ? 
ATOM   1604 C  CB  . SER   B 1 103 ? -37.960 3.133  -5.055  1.000 14.080  0 77  SER   B CB  1 ? 
ATOM   1605 O  OG  . SER   B 1 103 ? -37.115 2.556  -6.061  1.000 16.135  0 77  SER   B OG  1 ? 
ATOM   1606 N  N   . THR   B 1 104 ? -40.678 3.382  -3.743  1.000 12.927  0 78  THR   B N   1 ? 
ATOM   1607 C  CA  . THR   B 1 104 ? -41.213 3.842  -2.478  1.000 14.428  0 78  THR   B CA  1 ? 
ATOM   1608 C  C   . THR   B 1 104 ? -40.097 3.988  -1.456  1.000 14.049  0 78  THR   B C   1 ? 
ATOM   1609 O  O   . THR   B 1 104 ? -39.045 3.352  -1.539  1.000 14.900  0 78  THR   B O   1 ? 
ATOM   1610 C  CB  . THR   B 1 104 ? -42.307 2.939  -1.915  1.000 17.203  0 78  THR   B CB  1 ? 
ATOM   1611 O  OG1 . THR   B 1 104 ? -41.697 1.665  -1.679  1.000 17.808  0 78  THR   B OG1 1 ? 
ATOM   1612 C  CG2 . THR   B 1 104 ? -43.494 2.805  -2.841  1.000 19.203  0 78  THR   B CG2 1 ? 
ATOM   1613 N  N   . MET   B 1 105 ? -40.353 4.870  -0.481  1.000 13.393  0 79  MET   B N   1 ? 
ATOM   1614 C  CA  . MET   B 1 105 ? -39.452 5.203  0.599   1.000 13.196  0 79  MET   B CA  1 ? 
ATOM   1615 C  C   . MET   B 1 105 ? -40.163 5.098  1.941   1.000 12.714  0 79  MET   B C   1 ? 
ATOM   1616 O  O   . MET   B 1 105 ? -41.362 5.363  2.038   1.000 13.964  0 79  MET   B O   1 ? 
ATOM   1617 C  CB  . MET   B 1 105 ? -38.873 6.610  0.404   1.000 13.547  0 79  MET   B CB  1 ? 
ATOM   1618 C  CG  . MET   B 1 105 ? -37.999 6.664  -0.831  1.000 12.946  0 79  MET   B CG  1 ? 
ATOM   1619 S  SD  . MET   B 1 105 ? -37.180 8.277  -0.891  1.000 14.614  0 79  MET   B SD  1 ? 
ATOM   1620 C  CE  . MET   B 1 105 ? -36.015 7.963  -2.211  1.000 15.739  0 79  MET   B CE  1 ? 
ATOM   1621 N  N   . SER   B 1 106 ? -39.395 4.737  2.953   1.000 13.318  0 80  SER   B N   1 ? 
ATOM   1622 C  CA  . SER   B 1 106 ? -39.876 4.757  4.320   1.000 15.038  0 80  SER   B CA  1 ? 
ATOM   1623 C  C   . SER   B 1 106 ? -40.039 6.207  4.776   1.000 14.821  0 80  SER   B C   1 ? 
ATOM   1624 O  O   . SER   B 1 106 ? -39.062 6.928  4.772   1.000 14.946  0 80  SER   B O   1 ? 
ATOM   1625 C  CB  . SER   B 1 106 ? -38.920 4.053  5.218   1.000 16.477  0 80  SER   B CB  1 ? 
ATOM   1626 O  OG  . SER   B 1 106 ? -39.302 4.167  6.581   1.000 18.013  0 80  SER   B OG  1 ? 
ATOM   1627 N  N   . ILE   B 1 107 ? -41.249 6.570  5.203   1.000 14.491  0 81  ILE   B N   1 ? 
ATOM   1628 C  CA  . ILE   B 1 107 ? -41.533 7.912  5.692   1.000 14.567  0 81  ILE   B CA  1 ? 
ATOM   1629 C  C   . ILE   B 1 107 ? -42.351 7.848  6.982   1.000 14.974  0 81  ILE   B C   1 ? 
ATOM   1630 O  O   . ILE   B 1 107 ? -42.935 6.815  7.319   1.000 15.858  0 81  ILE   B O   1 ? 
ATOM   1631 C  CB  . ILE   B 1 107 ? -42.260 8.758  4.635   1.000 16.017  0 81  ILE   B CB  1 ? 
ATOM   1632 C  CG1 . ILE   B 1 107 ? -43.661 8.248  4.368   1.000 18.457  0 81  ILE   B CG1 1 ? 
ATOM   1633 C  CG2 . ILE   B 1 107 ? -41.448 8.850  3.347   1.000 16.804  0 81  ILE   B CG2 1 ? 
ATOM   1634 C  CD1 . ILE   B 1 107 ? -44.511 9.224  3.608   1.000 22.810  0 81  ILE   B CD1 1 ? 
ATOM   1635 N  N   . THR   B 1 108 ? -42.347 8.967  7.721   1.000 14.275  0 82  THR   B N   1 ? 
ATOM   1636 C  CA  . THR   B 1 108 ? -43.256 9.141  8.838   1.000 15.745  0 82  THR   B CA  1 ? 
ATOM   1637 C  C   . THR   B 1 108 ? -44.052 10.395 8.543   1.000 14.448  0 82  THR   B C   1 ? 
ATOM   1638 O  O   . THR   B 1 108 ? -43.481 11.449 8.303   1.000 14.822  0 82  THR   B O   1 ? 
ATOM   1639 C  CB  . THR   B 1 108 ? -42.557 9.262  10.187  1.000 16.825  0 82  THR   B CB  1 ? 
ATOM   1640 O  OG1 . THR   B 1 108 ? -41.906 8.000  10.331  1.000 18.501  0 82  THR   B OG1 1 ? 
ATOM   1641 C  CG2 . THR   B 1 108 ? -43.592 9.526  11.270  1.000 18.052  0 82  THR   B CG2 1 ? 
ATOM   1642 N  N   . ASP   B 1 109 ? -45.386 10.300 8.601   1.000 15.437  0 83  ASP   B N   1 ? 
ATOM   1643 C  CA  . ASP   B 1 109 ? -46.237 11.470 8.499   1.000 15.625  0 83  ASP   B CA  1 ? 
ATOM   1644 C  C   . ASP   B 1 109 ? -46.601 11.951 9.894   1.000 15.411  0 83  ASP   B C   1 ? 
ATOM   1645 O  O   . ASP   B 1 109 ? -46.981 11.140 10.735  1.000 17.548  0 83  ASP   B O   1 ? 
ATOM   1646 C  CB  . ASP   B 1 109 ? -47.494 11.168 7.718   1.000 18.286  0 83  ASP   B CB  1 ? 
ATOM   1647 C  CG  . ASP   B 1 109 ? -47.335 11.042 6.215   1.000 23.635  0 83  ASP   B CG  1 ? 
ATOM   1648 O  OD1 . ASP   B 1 109 ? -46.523 11.809 5.633   1.000 25.355  0 83  ASP   B OD1 1 ? 
ATOM   1649 O  OD2 . ASP   B 1 109 ? -48.026 10.197 5.629   1.000 28.158  0 83  ASP   B OD2 1 ? 
ATOM   1650 N  N   . CYS   B 1 110 ? -46.345 13.215 10.190  1.000 14.180  0 84  CYS   B N   1 ? 
ATOM   1651 C  CA  . CYS   B 1 110 ? -46.704 13.842 11.458  1.000 14.435  0 84  CYS   B CA  1 ? 
ATOM   1652 C  C   . CYS   B 1 110 ? -47.841 14.816 11.162  1.000 14.542  0 84  CYS   B C   1 ? 
ATOM   1653 O  O   . CYS   B 1 110 ? -47.726 15.671 10.284  1.000 14.375  0 84  CYS   B O   1 ? 
ATOM   1654 C  CB  . CYS   B 1 110 ? -45.540 14.631 12.040  1.000 17.199  0 84  CYS   B CB  1 ? 
ATOM   1655 S  SG  . CYS   B 1 110 ? -44.082 13.646 12.425  1.000 16.102  0 84  CYS   B SG  1 ? 
ATOM   1656 N  N   . ARG   B 1 111 ? -48.961 14.695 11.856  1.000 15.050  0 85  ARG   B N   1 ? 
ATOM   1657 C  CA  . ARG   B 1 111 ? -50.077 15.590 11.669  1.000 13.927  0 85  ARG   B CA  1 ? 
ATOM   1658 C  C   . ARG   B 1 111 ? -50.567 16.008 13.049  1.000 12.524  0 85  ARG   B C   1 ? 
ATOM   1659 O  O   . ARG   B 1 111 ? -50.838 15.159 13.884  1.000 15.384  0 85  ARG   B O   1 ? 
ATOM   1660 C  CB  . ARG   B 1 111 ? -51.158 15.005 10.759  1.000 13.374  0 85  ARG   B CB  1 ? 
ATOM   1661 C  CG  . ARG   B 1 111 ? -52.335 15.947 10.609  1.000 13.947  0 85  ARG   B CG  1 ? 
ATOM   1662 C  CD  . ARG   B 1 111 ? -53.304 15.516 9.552   1.000 13.142  0 85  ARG   B CD  1 ? 
ATOM   1663 N  NE  . ARG   B 1 111 ? -52.773 15.559 8.184   1.000 14.618  0 85  ARG   B NE  1 ? 
ATOM   1664 C  CZ  . ARG   B 1 111 ? -53.101 16.387 7.226   1.000 14.579  0 85  ARG   B CZ  1 ? 
ATOM   1665 N  NH1 . ARG   B 1 111 ? -52.599 16.260 6.025   1.000 16.770  0 85  ARG   B NH1 1 ? 
ATOM   1666 N  NH2 . ARG   B 1 111 ? -53.933 17.382 7.453   1.000 14.281  0 85  ARG   B NH2 1 ? 
ATOM   1667 N  N   . GLU   B 1 112 ? -50.711 17.304 13.239  1.000 15.329  0 86  GLU   B N   1 ? 
ATOM   1668 C  CA  . GLU   B 1 112 ? -51.148 17.797 14.526  1.000 15.799  0 86  GLU   B CA  1 ? 
ATOM   1669 C  C   . GLU   B 1 112 ? -52.545 17.221 14.819  1.000 17.328  0 86  GLU   B C   1 ? 
ATOM   1670 O  O   . GLU   B 1 112 ? -53.364 17.066 13.919  1.000 16.609  0 86  GLU   B O   1 ? 
ATOM   1671 C  CB  . GLU   B 1 112 ? -51.113 19.308 14.379  1.000 19.838  0 86  GLU   B CB  1 ? 
ATOM   1672 C  CG  . GLU   B 1 112 ? -51.545 20.058 15.621  1.000 24.495  0 86  GLU   B CG  1 ? 
ATOM   1673 C  CD  . GLU   B 1 112 ? -51.473 21.562 15.421  1.000 25.216  0 86  GLU   B CD  1 ? 
ATOM   1674 O  OE1 . GLU   B 1 112 ? -51.336 22.187 16.496  1.000 29.246  0 86  GLU   B OE1 1 ? 
ATOM   1675 O  OE2 . GLU   B 1 112 ? -51.669 22.104 14.300  1.000 25.276  0 86  GLU   B OE2 1 ? 
ATOM   1676 N  N   . THR   B 1 113 ? -52.820 16.981 16.101  1.000 17.235  0 87  THR   B N   1 ? 
ATOM   1677 C  CA  . THR   B 1 113 ? -54.126 16.506 16.525  1.000 18.934  0 87  THR   B CA  1 ? 
ATOM   1678 C  C   . THR   B 1 113 ? -55.129 17.650 16.487  1.000 21.318  0 87  THR   B C   1 ? 
ATOM   1679 O  O   . THR   B 1 113 ? -54.796 18.822 16.429  1.000 20.260  0 87  THR   B O   1 ? 
ATOM   1680 C  CB  . THR   B 1 113 ? -54.064 15.879 17.911  1.000 22.627  0 87  THR   B CB  1 ? 
ATOM   1681 O  OG1 . THR   B 1 113 ? -53.825 16.939 18.825  1.000 23.673  0 87  THR   B OG1 1 ? 
ATOM   1682 C  CG2 . THR   B 1 113 ? -53.031 14.786 18.048  1.000 22.680  0 87  THR   B CG2 1 ? 
ATOM   1683 N  N   . GLY   B 1 114 ? -56.412 17.274 16.504  1.000 24.035  0 88  GLY   B N   1 ? 
ATOM   1684 C  CA  . GLY   B 1 114 ? -57.464 18.271 16.478  1.000 25.027  0 88  GLY   B CA  1 ? 
ATOM   1685 C  C   . GLY   B 1 114 ? -57.494 19.104 17.759  1.000 26.114  0 88  GLY   B C   1 ? 
ATOM   1686 O  O   . GLY   B 1 114 ? -57.957 20.248 17.731  1.000 27.155  0 88  GLY   B O   1 ? 
ATOM   1687 N  N   . SER   B 1 115 ? -56.994 18.551 18.875  1.000 28.483  0 89  SER   B N   1 ? 
ATOM   1688 C  CA  . SER   B 1 115 ? -57.026 19.247 20.151  1.000 31.181  0 89  SER   B CA  1 ? 
ATOM   1689 C  C   . SER   B 1 115 ? -55.680 19.873 20.512  1.000 32.019  0 89  SER   B C   1 ? 
ATOM   1690 O  O   . SER   B 1 115 ? -55.488 20.269 21.668  1.000 29.745  0 89  SER   B O   1 ? 
ATOM   1691 C  CB  . SER   B 1 115 ? -57.470 18.303 21.233  1.000 35.834  0 89  SER   B CB  1 ? 
ATOM   1692 O  OG  . SER   B 1 115 ? -56.564 17.218 21.336  1.000 40.109  0 89  SER   B OG  1 ? 
ATOM   1693 N  N   . SER   B 1 116 ? -54.729 19.909 19.558  1.000 26.449  0 90  SER   B N   1 ? 
ATOM   1694 C  CA  . SER   B 1 116 ? -53.410 20.473 19.811  1.000 27.920  0 90  SER   B CA  1 ? 
ATOM   1695 C  C   . SER   B 1 116 ? -53.494 21.984 19.925  1.000 26.433  0 90  SER   B C   1 ? 
ATOM   1696 O  O   . SER   B 1 116 ? -54.078 22.648 19.072  1.000 29.380  0 90  SER   B O   1 ? 
ATOM   1697 C  CB  . SER   B 1 116 ? -52.448 20.128 18.703  1.000 24.481  0 90  SER   B CB  1 ? 
ATOM   1698 O  OG  . SER   B 1 116 ? -51.236 20.868 18.815  1.000 21.807  0 90  SER   B OG  1 ? 
ATOM   1699 N  N   . LYS   B 1 117 ? -52.833 22.516 20.964  1.000 28.261  0 91  LYS   B N   1 ? 
ATOM   1700 C  CA  . LYS   B 1 117 ? -52.827 23.938 21.233  1.000 34.149  0 91  LYS   B CA  1 ? 
ATOM   1701 C  C   . LYS   B 1 117 ? -51.419 24.348 21.639  1.000 29.275  0 91  LYS   B C   1 ? 
ATOM   1702 O  O   . LYS   B 1 117 ? -50.920 23.900 22.675  1.000 33.173  0 91  LYS   B O   1 ? 
ATOM   1703 C  CB  . LYS   B 1 117 ? -53.798 24.233 22.384  1.000 40.868  0 91  LYS   B CB  1 ? 
ATOM   1704 C  CG  . LYS   B 1 117 ? -55.251 24.289 21.973  1.000 42.593  0 91  LYS   B CG  1 ? 
ATOM   1705 C  CD  . LYS   B 1 117 ? -55.650 25.614 21.326  1.000 48.326  0 91  LYS   B CD  1 ? 
ATOM   1706 C  CE  . LYS   B 1 117 ? -56.943 25.515 20.578  1.000 50.194  0 91  LYS   B CE  1 ? 
ATOM   1707 N  NZ  . LYS   B 1 117 ? -57.900 24.614 21.227  1.000 51.856  0 91  LYS   B NZ  1 ? 
ATOM   1708 N  N   . TYR   B 1 118 ? -50.796 25.153 20.779  1.000 27.912  0 92  TYR   B N   1 ? 
ATOM   1709 C  CA  . TYR   B 1 118 ? -49.530 25.784 21.120  1.000 28.162  0 92  TYR   B CA  1 ? 
ATOM   1710 C  C   . TYR   B 1 118 ? -49.663 26.443 22.490  1.000 30.975  0 92  TYR   B C   1 ? 
ATOM   1711 O  O   . TYR   B 1 118 ? -50.659 27.121 22.718  1.000 32.341  0 92  TYR   B O   1 ? 
ATOM   1712 C  CB  . TYR   B 1 118 ? -49.210 26.872 20.101  1.000 29.713  0 92  TYR   B CB  1 ? 
ATOM   1713 C  CG  . TYR   B 1 118 ? -47.904 27.621 20.343  1.000 32.694  0 92  TYR   B CG  1 ? 
ATOM   1714 C  CD1 . TYR   B 1 118 ? -46.680 27.074 19.974  1.000 33.020  0 92  TYR   B CD1 1 ? 
ATOM   1715 C  CD2 . TYR   B 1 118 ? -47.901 28.880 20.939  1.000 35.822  0 92  TYR   B CD2 1 ? 
ATOM   1716 C  CE1 . TYR   B 1 118 ? -45.490 27.746 20.197  1.000 36.561  0 92  TYR   B CE1 1 ? 
ATOM   1717 C  CE2 . TYR   B 1 118 ? -46.715 29.562 21.169  1.000 38.217  0 92  TYR   B CE2 1 ? 
ATOM   1718 C  CZ  . TYR   B 1 118 ? -45.508 28.994 20.799  1.000 37.156  0 92  TYR   B CZ  1 ? 
ATOM   1719 O  OH  . TYR   B 1 118 ? -44.329 29.657 20.980  1.000 37.735  0 92  TYR   B OH  1 ? 
ATOM   1720 N  N   . PRO   B 1 119 ? -48.665 26.349 23.398  1.000 35.447  0 93  PRO   B N   1 ? 
ATOM   1721 C  CA  . PRO   B 1 119 ? -47.352 25.775 23.103  1.000 36.876  0 93  PRO   B CA  1 ? 
ATOM   1722 C  C   . PRO   B 1 119 ? -47.188 24.279 23.311  1.000 34.417  0 93  PRO   B C   1 ? 
ATOM   1723 O  O   . PRO   B 1 119 ? -46.086 23.769 23.178  1.000 43.747  0 93  PRO   B O   1 ? 
ATOM   1724 C  CB  . PRO   B 1 119 ? -46.458 26.563 24.081  1.000 37.227  0 93  PRO   B CB  1 ? 
ATOM   1725 C  CG  . PRO   B 1 119 ? -47.324 26.708 25.302  1.000 38.505  0 93  PRO   B CG  1 ? 
ATOM   1726 C  CD  . PRO   B 1 119 ? -48.743 26.866 24.776  1.000 38.554  0 93  PRO   B CD  1 ? 
ATOM   1727 N  N   . ASN   B 1 120 ? -48.275 23.570 23.608  1.000 36.924  0 94  ASN   B N   1 ? 
ATOM   1728 C  CA  . ASN   B 1 120 ? -48.176 22.147 23.884  1.000 32.415  0 94  ASN   B CA  1 ? 
ATOM   1729 C  C   . ASN   B 1 120 ? -48.507 21.367 22.612  1.000 32.740  0 94  ASN   B C   1 ? 
ATOM   1730 O  O   . ASN   B 1 120 ? -49.533 20.698 22.555  1.000 35.948  0 94  ASN   B O   1 ? 
ATOM   1731 C  CB  . ASN   B 1 120 ? -49.080 21.793 25.058  1.000 37.355  0 94  ASN   B CB  1 ? 
ATOM   1732 C  CG  . ASN   B 1 120 ? -48.590 22.449 26.329  1.000 38.475  0 94  ASN   B CG  1 ? 
ATOM   1733 O  OD1 . ASN   B 1 120 ? -49.240 23.354 26.859  1.000 43.024  0 94  ASN   B OD1 1 ? 
ATOM   1734 N  ND2 . ASN   B 1 120 ? -47.420 22.043 26.796  1.000 40.493  0 94  ASN   B ND2 1 ? 
ATOM   1735 N  N   . CYS   B 1 121 ? -47.646 21.487 21.591  1.000 27.090  0 95  CYS   B N   1 ? 
ATOM   1736 C  CA  . CYS   B 1 121 ? -47.951 20.966 20.262  1.000 27.219  0 95  CYS   B CA  1 ? 
ATOM   1737 C  C   . CYS   B 1 121 ? -48.037 19.441 20.328  1.000 26.139  0 95  CYS   B C   1 ? 
ATOM   1738 O  O   . CYS   B 1 121 ? -47.155 18.794 20.898  1.000 31.347  0 95  CYS   B O   1 ? 
ATOM   1739 C  CB  . CYS   B 1 121 ? -46.911 21.456 19.252  1.000 26.238  0 95  CYS   B CB  1 ? 
ATOM   1740 S  SG  . CYS   B 1 121 ? -46.890 23.248 19.010  1.000 27.557  0 95  CYS   B SG  1 ? 
ATOM   1741 N  N   . ALA   B 1 122 ? -49.087 18.844 19.739  1.000 21.947  0 96  ALA   B N   1 ? 
ATOM   1742 C  CA  . ALA   B 1 122 ? -49.287 17.406 19.835  1.000 20.891  0 96  ALA   B CA  1 ? 
ATOM   1743 C  C   . ALA   B 1 122 ? -49.579 16.847 18.443  1.000 18.136  0 96  ALA   B C   1 ? 
ATOM   1744 O  O   . ALA   B 1 122 ? -50.356 17.466 17.715  1.000 19.221  0 96  ALA   B O   1 ? 
ATOM   1745 C  CB  . ALA   B 1 122 ? -50.450 17.065 20.787  1.000 21.899  0 96  ALA   B CB  1 ? 
ATOM   1746 N  N   . TYR   B 1 123 ? -48.975 15.686 18.150  1.000 17.310  0 97  TYR   B N   1 ? 
ATOM   1747 C  CA  . TYR   B 1 123 ? -49.003 15.074 16.835  1.000 16.478  0 97  TYR   B CA  1 ? 
ATOM   1748 C  C   . TYR   B 1 123 ? -49.367 13.612 16.921  1.000 15.963  0 97  TYR   B C   1 ? 
ATOM   1749 O  O   . TYR   B 1 123 ? -48.968 12.924 17.864  1.000 21.936  0 97  TYR   B O   1 ? 
ATOM   1750 C  CB  . TYR   B 1 123 ? -47.629 15.224 16.159  1.000 16.361  0 97  TYR   B CB  1 ? 
ATOM   1751 C  CG  . TYR   B 1 123 ? -47.272 16.682 15.918  1.000 16.131  0 97  TYR   B CG  1 ? 
ATOM   1752 C  CD1 . TYR   B 1 123 ? -46.597 17.435 16.870  1.000 16.298  0 97  TYR   B CD1 1 ? 
ATOM   1753 C  CD2 . TYR   B 1 123 ? -47.552 17.294 14.683  1.000 16.689  0 97  TYR   B CD2 1 ? 
ATOM   1754 C  CE1 . TYR   B 1 123 ? -46.285 18.770 16.633  1.000 17.495  0 97  TYR   B CE1 1 ? 
ATOM   1755 C  CE2 . TYR   B 1 123 ? -47.243 18.625 14.435  1.000 16.866  0 97  TYR   B CE2 1 ? 
ATOM   1756 C  CZ  . TYR   B 1 123 ? -46.614 19.375 15.431  1.000 16.816  0 97  TYR   B CZ  1 ? 
ATOM   1757 O  OH  . TYR   B 1 123 ? -46.292 20.690 15.194  1.000 19.010  0 97  TYR   B OH  1 ? 
ATOM   1758 N  N   . LYS   B 1 124 ? -50.023 13.145 15.869  1.000 16.885  0 98  LYS   B N   1 ? 
ATOM   1759 C  CA  . LYS   B 1 124 ? -50.098 11.735 15.586  1.000 17.319  0 98  LYS   B CA  1 ? 
ATOM   1760 C  C   . LYS   B 1 124 ? -48.998 11.348 14.600  1.000 20.702  0 98  LYS   B C   1 ? 
ATOM   1761 O  O   . LYS   B 1 124 ? -48.804 12.006 13.581  1.000 16.778  0 98  LYS   B O   1 ? 
ATOM   1762 C  CB  . LYS   B 1 124 ? -51.475 11.414 14.994  1.000 21.325  0 98  LYS   B CB  1 ? 
ATOM   1763 C  CG  . LYS   B 1 124 ? -51.603 10.016 14.421  1.000 27.167  0 98  LYS   B CG  1 ? 
ATOM   1764 C  CD  . LYS   B 1 124 ? -51.596 8.886  15.436  1.000 31.618  0 98  LYS   B CD  1 ? 
ATOM   1765 C  CE  . LYS   B 1 124 ? -51.793 7.542  14.790  1.000 34.326  0 98  LYS   B CE  1 ? 
ATOM   1766 N  NZ  . LYS   B 1 124 ? -52.344 6.635  15.805  1.000 38.081  0 98  LYS   B NZ  1 ? 
ATOM   1767 N  N   . THR   B 1 125 ? -48.344 10.234 14.923  1.000 19.959  0 99  THR   B N   1 ? 
ATOM   1768 C  CA  . THR   B 1 125 ? -47.293 9.632  14.140  1.000 19.475  0 99  THR   B CA  1 ? 
ATOM   1769 C  C   . THR   B 1 125 ? -47.879 8.514  13.293  1.000 22.199  0 99  THR   B C   1 ? 
ATOM   1770 O  O   . THR   B 1 125 ? -48.479 7.568  13.811  1.000 21.075  0 99  THR   B O   1 ? 
ATOM   1771 C  CB  . THR   B 1 125 ? -46.212 9.111  15.085  1.000 19.668  0 99  THR   B CB  1 ? 
ATOM   1772 O  OG1 . THR   B 1 125 ? -45.674 10.159 15.883  1.000 19.548  0 99  THR   B OG1 1 ? 
ATOM   1773 C  CG2 . THR   B 1 125 ? -45.073 8.440  14.336  1.000 21.531  0 99  THR   B CG2 1 ? 
ATOM   1774 N  N   . THR   B 1 126 ? -47.703 8.592  11.976  1.000 18.897  0 100 THR   B N   1 ? 
ATOM   1775 C  CA  . THR   B 1 126 ? -48.112 7.488  11.121  1.000 20.253  0 100 THR   B CA  1 ? 
ATOM   1776 C  C   . THR   B 1 126 ? -46.947 7.067  10.226  1.000 20.781  0 100 THR   B C   1 ? 
ATOM   1777 O  O   . THR   B 1 126 ? -46.447 7.864  9.451   1.000 19.443  0 100 THR   B O   1 ? 
ATOM   1778 C  CB  . THR   B 1 126 ? -49.327 7.852  10.274  1.000 22.124  0 100 THR   B CB  1 ? 
ATOM   1779 O  OG1 . THR   B 1 126 ? -50.392 8.339  11.100  1.000 22.313  0 100 THR   B OG1 1 ? 
ATOM   1780 C  CG2 . THR   B 1 126 ? -49.774 6.647  9.463   1.000 22.811  0 100 THR   B CG2 1 ? 
ATOM   1781 N  N   A GLN   B 1 127 ? -46.635 5.769  10.238  0.500 21.492  0 101 GLN   B N   1 ? 
ATOM   1782 N  N   B GLN   B 1 127 ? -46.534 5.798  10.317  0.500 21.464  0 101 GLN   B N   1 ? 
ATOM   1783 C  CA  A GLN   B 1 127 ? -45.557 5.225  9.434   0.500 22.812  0 101 GLN   B CA  1 ? 
ATOM   1784 C  CA  B GLN   B 1 127 ? -45.505 5.269  9.434   0.500 22.636  0 101 GLN   B CA  1 ? 
ATOM   1785 C  C   A GLN   B 1 127 ? -46.096 4.844  8.063   0.500 22.417  0 101 GLN   B C   1 ? 
ATOM   1786 C  C   B GLN   B 1 127 ? -46.125 4.971  8.073   0.500 22.353  0 101 GLN   B C   1 ? 
ATOM   1787 O  O   A GLN   B 1 127 ? -47.193 4.296  7.957   0.500 21.873  0 101 GLN   B O   1 ? 
ATOM   1788 O  O   B GLN   B 1 127 ? -47.305 4.625  7.984   0.500 21.403  0 101 GLN   B O   1 ? 
ATOM   1789 C  CB  A GLN   B 1 127 ? -44.979 4.002  10.140  0.500 24.852  0 101 GLN   B CB  1 ? 
ATOM   1790 C  CB  B GLN   B 1 127 ? -44.855 3.988  9.957   0.500 24.460  0 101 GLN   B CB  1 ? 
ATOM   1791 C  CG  A GLN   B 1 127 ? -43.493 3.800  9.885   0.500 28.736  0 101 GLN   B CG  1 ? 
ATOM   1792 C  CG  B GLN   B 1 127 ? -44.390 4.021  11.412  0.500 27.631  0 101 GLN   B CG  1 ? 
ATOM   1793 C  CD  A GLN   B 1 127 ? -42.691 5.060  10.145  0.500 29.391  0 101 GLN   B CD  1 ? 
ATOM   1794 C  CD  B GLN   B 1 127 ? -43.862 2.666  11.846  0.500 33.185  0 101 GLN   B CD  1 ? 
ATOM   1795 O  OE1 A GLN   B 1 127 ? -43.006 5.847  11.048  0.500 25.987  0 101 GLN   B OE1 1 ? 
ATOM   1796 O  OE1 B GLN   B 1 127 ? -43.616 1.791  11.009  0.500 38.649  0 101 GLN   B OE1 1 ? 
ATOM   1797 N  NE2 A GLN   B 1 127 ? -41.657 5.273  9.348   0.500 28.627  0 101 GLN   B NE2 1 ? 
ATOM   1798 N  NE2 B GLN   B 1 127 ? -43.688 2.454  13.143  0.500 34.840  0 101 GLN   B NE2 1 ? 
ATOM   1799 N  N   . ALA   B 1 128 ? -45.336 5.148  7.003   1.000 19.442  0 102 ALA   B N   1 ? 
ATOM   1800 C  CA  . ALA   B 1 128 ? -45.771 4.765  5.682   1.000 21.203  0 102 ALA   B CA  1 ? 
ATOM   1801 C  C   . ALA   B 1 128 ? -44.596 4.490  4.762   1.000 17.168  0 102 ALA   B C   1 ? 
ATOM   1802 O  O   . ALA   B 1 128 ? -43.459 4.680  5.140   1.000 17.774  0 102 ALA   B O   1 ? 
ATOM   1803 C  CB  . ALA   B 1 128 ? -46.670 5.825  5.092   1.000 24.398  0 102 ALA   B CB  1 ? 
ATOM   1804 N  N   . ASN   B 1 129 ? -44.931 3.871  3.627   1.000 19.444  0 103 ASN   B N   1 ? 
ATOM   1805 C  CA  . ASN   B 1 129 ? -43.983 3.488  2.595   1.000 19.958  0 103 ASN   B CA  1 ? 
ATOM   1806 C  C   . ASN   B 1 129 ? -44.545 3.998  1.272   1.000 18.955  0 103 ASN   B C   1 ? 
ATOM   1807 O  O   . ASN   B 1 129 ? -45.488 3.421  0.730   1.000 19.282  0 103 ASN   B O   1 ? 
ATOM   1808 C  CB  . ASN   B 1 129 ? -43.725 1.986  2.596   1.000 23.139  0 103 ASN   B CB  1 ? 
ATOM   1809 C  CG  . ASN   B 1 129 ? -42.257 1.714  2.464   1.000 32.554  0 103 ASN   B CG  1 ? 
ATOM   1810 O  OD1 . ASN   B 1 129 ? -41.560 1.667  3.481   1.000 29.618  0 103 ASN   B OD1 1 ? 
ATOM   1811 N  ND2 . ASN   B 1 129 ? -41.756 1.703  1.238   1.000 39.616  0 103 ASN   B ND2 1 ? 
ATOM   1812 N  N   . LYS   B 1 130 ? -44.023 5.140  0.781   1.000 15.980  0 104 LYS   B N   1 ? 
ATOM   1813 C  CA  . LYS   B 1 130 ? -44.636 5.793  -0.368  1.000 17.173  0 104 LYS   B CA  1 ? 
ATOM   1814 C  C   . LYS   B 1 130 ? -43.612 6.494  -1.247  1.000 12.764  0 104 LYS   B C   1 ? 
ATOM   1815 O  O   . LYS   B 1 130 ? -42.485 6.711  -0.837  1.000 13.226  0 104 LYS   B O   1 ? 
ATOM   1816 C  CB  . LYS   B 1 130 ? -45.555 6.935  0.067   1.000 18.368  0 104 LYS   B CB  1 ? 
ATOM   1817 C  CG  . LYS   B 1 130 ? -46.776 6.400  0.826   1.000 23.865  0 104 LYS   B CG  1 ? 
ATOM   1818 C  CD  . LYS   B 1 130 ? -47.542 7.506  1.518   1.000 29.120  0 104 LYS   B CD  1 ? 
ATOM   1819 C  CE  . LYS   B 1 130 ? -48.954 7.056  1.738   1.000 34.413  0 104 LYS   B CE  1 ? 
ATOM   1820 N  NZ  . LYS   B 1 130 ? -49.741 8.248  2.012   1.000 38.000  0 104 LYS   B NZ  1 ? 
ATOM   1821 N  N   . HIS   B 1 131 ? -44.022 6.823  -2.456  1.000 13.469  0 105 HIS   B N   1 ? 
ATOM   1822 C  CA  . HIS   B 1 131 ? -43.187 7.630  -3.329  1.000 13.926  0 105 HIS   B CA  1 ? 
ATOM   1823 C  C   . HIS   B 1 131 ? -43.195 9.059  -2.798  1.000 13.126  0 105 HIS   B C   1 ? 
ATOM   1824 O  O   . HIS   B 1 131 ? -44.198 9.500  -2.274  1.000 17.802  0 105 HIS   B O   1 ? 
ATOM   1825 C  CB  . HIS   B 1 131 ? -43.700 7.593  -4.772  1.000 14.722  0 105 HIS   B CB  1 ? 
ATOM   1826 C  CG  . HIS   B 1 131 ? -43.763 6.247  -5.384  1.000 15.989  0 105 HIS   B CG  1 ? 
ATOM   1827 N  ND1 . HIS   B 1 131 ? -42.794 5.641  -6.179  1.000 16.201  0 105 HIS   B ND1 1 ? 
ATOM   1828 C  CD2 . HIS   B 1 131 ? -44.778 5.374  -5.258  1.000 17.006  0 105 HIS   B CD2 1 ? 
ATOM   1829 C  CE1 . HIS   B 1 131 ? -43.253 4.427  -6.515  1.000 17.755  0 105 HIS   B CE1 1 ? 
ATOM   1830 N  NE2 . HIS   B 1 131 ? -44.441 4.245  -5.990  1.000 17.340  0 105 HIS   B NE2 1 ? 
ATOM   1831 N  N   . ILE   B 1 132 ? -42.064 9.746  -2.862  1.000 10.948  0 106 ILE   B N   1 ? 
ATOM   1832 C  CA  . ILE   B 1 132 ? -41.983 11.167 -2.462  1.000 10.694  0 106 ILE   B CA  1 ? 
ATOM   1833 C  C   . ILE   B 1 132 ? -41.852 12.013 -3.725  1.000 10.617  0 106 ILE   B C   1 ? 
ATOM   1834 O  O   . ILE   B 1 132 ? -41.361 11.567 -4.748  1.000 11.253  0 106 ILE   B O   1 ? 
ATOM   1835 C  CB  . ILE   B 1 132 ? -40.870 11.429 -1.441  1.000 11.500  0 106 ILE   B CB  1 ? 
ATOM   1836 C  CG1 . ILE   B 1 132 ? -39.496 11.229 -2.033  1.000 11.725  0 106 ILE   B CG1 1 ? 
ATOM   1837 C  CG2 . ILE   B 1 132 ? -41.053 10.538 -0.196  1.000 11.366  0 106 ILE   B CG2 1 ? 
ATOM   1838 C  CD1 . ILE   B 1 132 ? -38.372 11.684 -1.185  1.000 12.595  0 106 ILE   B CD1 1 ? 
ATOM   1839 N  N   . ILE   B 1 133 ? -42.376 13.248 -3.607  1.000 9.504   0 107 ILE   B N   1 ? 
ATOM   1840 C  CA  . ILE   B 1 133 ? -42.258 14.244 -4.641  1.000 10.335  0 107 ILE   B CA  1 ? 
ATOM   1841 C  C   . ILE   B 1 133 ? -41.597 15.456 -3.996  1.000 10.682  0 107 ILE   B C   1 ? 
ATOM   1842 O  O   . ILE   B 1 133 ? -42.114 15.990 -3.002  1.000 11.632  0 107 ILE   B O   1 ? 
ATOM   1843 C  CB  . ILE   B 1 133 ? -43.614 14.565 -5.286  1.000 11.563  0 107 ILE   B CB  1 ? 
ATOM   1844 C  CG1 . ILE   B 1 133 ? -44.241 13.300 -5.839  1.000 13.127  0 107 ILE   B CG1 1 ? 
ATOM   1845 C  CG2 . ILE   B 1 133 ? -43.436 15.632 -6.373  1.000 13.671  0 107 ILE   B CG2 1 ? 
ATOM   1846 C  CD1 . ILE   B 1 133 ? -45.602 13.527 -6.443  1.000 12.927  0 107 ILE   B CD1 1 ? 
ATOM   1847 N  N   . VAL   B 1 134 ? -40.499 15.909 -4.605  1.000 11.407  0 108 VAL   B N   1 ? 
ATOM   1848 C  CA  . VAL   B 1 134 ? -39.691 16.996 -4.055  1.000 9.656   0 108 VAL   B CA  1 ? 
ATOM   1849 C  C   . VAL   B 1 134 ? -39.360 17.961 -5.185  1.000 10.383  0 108 VAL   B C   1 ? 
ATOM   1850 O  O   . VAL   B 1 134 ? -39.231 17.563 -6.339  1.000 10.602  0 108 VAL   B O   1 ? 
ATOM   1851 C  CB  . VAL   B 1 134 ? -38.376 16.480 -3.412  1.000 10.209  0 108 VAL   B CB  1 ? 
ATOM   1852 C  CG1 . VAL   B 1 134 ? -38.678 15.646 -2.175  1.000 11.834  0 108 VAL   B CG1 1 ? 
ATOM   1853 C  CG2 . VAL   B 1 134 ? -37.490 15.731 -4.405  1.000 10.851  0 108 VAL   B CG2 1 ? 
ATOM   1854 N  N   . ALA   B 1 135 ? -39.257 19.247 -4.833  1.000 10.409  0 109 ALA   B N   1 ? 
ATOM   1855 C  CA  . ALA   B 1 135 ? -38.698 20.245 -5.735  1.000 9.157   0 109 ALA   B CA  1 ? 
ATOM   1856 C  C   . ALA   B 1 135 ? -37.185 20.266 -5.593  1.000 9.557   0 109 ALA   B C   1 ? 
ATOM   1857 O  O   . ALA   B 1 135 ? -36.710 20.232 -4.461  1.000 10.604  0 109 ALA   B O   1 ? 
ATOM   1858 C  CB  . ALA   B 1 135 ? -39.258 21.627 -5.398  1.000 9.997   0 109 ALA   B CB  1 ? 
ATOM   1859 N  N   . CYS   B 1 136 ? -36.508 20.372 -6.735  1.000 9.588   0 110 CYS   B N   1 ? 
ATOM   1860 C  CA  . CYS   B 1 136 ? -35.045 20.353 -6.743  1.000 10.540  0 110 CYS   B CA  1 ? 
ATOM   1861 C  C   . CYS   B 1 136 ? -34.500 21.681 -7.292  1.000 10.384  0 110 CYS   B C   1 ? 
ATOM   1862 O  O   . CYS   B 1 136 ? -35.007 22.213 -8.284  1.000 11.602  0 110 CYS   B O   1 ? 
ATOM   1863 C  CB  . CYS   B 1 136 ? -34.520 19.175 -7.535  1.000 10.992  0 110 CYS   B CB  1 ? 
ATOM   1864 S  SG  . CYS   B 1 136 ? -35.056 17.594 -6.823  1.000 12.980  0 110 CYS   B SG  1 ? 
ATOM   1865 N  N   . GLU   B 1 137 ? -33.391 22.123 -6.725  1.000 10.888  0 111 GLU   B N   1 ? 
ATOM   1866 C  CA  . GLU   B 1 137 ? -32.819 23.392 -7.161  1.000 10.896  0 111 GLU   B CA  1 ? 
ATOM   1867 C  C   . GLU   B 1 137 ? -31.393 23.461 -6.668  1.000 10.259  0 111 GLU   B C   1 ? 
ATOM   1868 O  O   . GLU   B 1 137 ? -31.057 22.859 -5.630  1.000 12.416  0 111 GLU   B O   1 ? 
ATOM   1869 C  CB  . GLU   B 1 137 ? -33.681 24.528 -6.594  1.000 13.372  0 111 GLU   B CB  1 ? 
ATOM   1870 C  CG  . GLU   B 1 137 ? -33.515 25.857 -7.323  1.000 18.135  0 111 GLU   B CG  1 ? 
ATOM   1871 C  CD  . GLU   B 1 137 ? -34.589 26.889 -6.963  1.000 28.035  0 111 GLU   B CD  1 ? 
ATOM   1872 O  OE1 . GLU   B 1 137 ? -35.319 26.673 -5.960  1.000 22.454  0 111 GLU   B OE1 1 ? 
ATOM   1873 O  OE2 . GLU   B 1 137 ? -34.758 27.897 -7.711  1.000 30.744  0 111 GLU   B OE2 1 ? 
ATOM   1874 N  N   . GLY   B 1 138 ? -30.609 24.286 -7.358  1.000 11.759  0 112 GLY   B N   1 ? 
ATOM   1875 C  CA  . GLY   B 1 138 ? -29.316 24.748 -6.897  1.000 11.796  0 112 GLY   B CA  1 ? 
ATOM   1876 C  C   . GLY   B 1 138 ? -28.187 23.820 -7.319  1.000 12.605  0 112 GLY   B C   1 ? 
ATOM   1877 O  O   . GLY   B 1 138 ? -28.362 22.861 -8.072  1.000 13.501  0 112 GLY   B O   1 ? 
ATOM   1878 N  N   . ASN   B 1 139 ? -26.988 24.111 -6.782  1.000 15.545  0 113 ASN   B N   1 ? 
ATOM   1879 C  CA  . ASN   B 1 139 ? -25.757 23.418 -7.149  1.000 17.272  0 113 ASN   B CA  1 ? 
ATOM   1880 C  C   . ASN   B 1 139 ? -25.015 23.104 -5.856  1.000 15.190  0 113 ASN   B C   1 ? 
ATOM   1881 O  O   . ASN   B 1 139 ? -24.530 24.033 -5.201  1.000 18.617  0 113 ASN   B O   1 ? 
ATOM   1882 C  CB  . ASN   B 1 139 ? -24.856 24.297 -7.993  1.000 19.373  0 113 ASN   B CB  1 ? 
ATOM   1883 C  CG  . ASN   B 1 139 ? -23.635 23.596 -8.542  1.000 21.553  0 113 ASN   B CG  1 ? 
ATOM   1884 O  OD1 . ASN   B 1 139 ? -22.770 24.272 -9.117  1.000 26.877  0 113 ASN   B OD1 1 ? 
ATOM   1885 N  ND2 . ASN   B 1 139 ? -23.666 22.281 -8.590  1.000 21.180  0 113 ASN   B ND2 1 ? 
ATOM   1886 N  N   . PRO   B 1 140 ? -24.941 21.835 -5.421  1.000 15.319  0 114 PRO   B N   1 ? 
ATOM   1887 C  CA  . PRO   B 1 140 ? -25.491 20.683 -6.129  1.000 14.528  0 114 PRO   B CA  1 ? 
ATOM   1888 C  C   . PRO   B 1 140 ? -27.022 20.709 -6.225  1.000 12.431  0 114 PRO   B C   1 ? 
ATOM   1889 O  O   . PRO   B 1 140 ? -27.663 21.321 -5.378  1.000 12.734  0 114 PRO   B O   1 ? 
ATOM   1890 C  CB  . PRO   B 1 140 ? -25.000 19.485 -5.271  1.000 15.953  0 114 PRO   B CB  1 ? 
ATOM   1891 C  CG  . PRO   B 1 140 ? -24.747 20.137 -3.947  1.000 18.675  0 114 PRO   B CG  1 ? 
ATOM   1892 C  CD  . PRO   B 1 140 ? -24.130 21.465 -4.250  1.000 15.906  0 114 PRO   B CD  1 ? 
ATOM   1893 N  N   . TYR   B 1 141 ? -27.588 19.942 -7.171  1.000 10.797  0 115 TYR   B N   1 ? 
ATOM   1894 C  CA  . TYR   B 1 141 ? -29.023 19.982 -7.460  1.000 9.884   0 115 TYR   B CA  1 ? 
ATOM   1895 C  C   . TYR   B 1 141 ? -29.738 19.008 -6.557  1.000 10.133  0 115 TYR   B C   1 ? 
ATOM   1896 O  O   . TYR   B 1 141 ? -29.579 17.781 -6.695  1.000 11.804  0 115 TYR   B O   1 ? 
ATOM   1897 C  CB  . TYR   B 1 141 ? -29.113 19.655 -8.943  1.000 10.471  0 115 TYR   B CB  1 ? 
ATOM   1898 C  CG  . TYR   B 1 141 ? -30.505 19.787 -9.523  1.000 9.821   0 115 TYR   B CG  1 ? 
ATOM   1899 C  CD1 . TYR   B 1 141 ? -31.088 21.033 -9.684  1.000 9.269   0 115 TYR   B CD1 1 ? 
ATOM   1900 C  CD2 . TYR   B 1 141 ? -31.212 18.701 -10.012 1.000 10.732  0 115 TYR   B CD2 1 ? 
ATOM   1901 C  CE1 . TYR   B 1 141 ? -32.326 21.183 -10.287 1.000 10.001  0 115 TYR   B CE1 1 ? 
ATOM   1902 C  CE2 . TYR   B 1 141 ? -32.459 18.831 -10.606 1.000 10.906  0 115 TYR   B CE2 1 ? 
ATOM   1903 C  CZ  . TYR   B 1 141 ? -32.993 20.092 -10.777 1.000 10.709  0 115 TYR   B CZ  1 ? 
ATOM   1904 O  OH  . TYR   B 1 141 ? -34.200 20.174 -11.407 1.000 12.287  0 115 TYR   B OH  1 ? 
ATOM   1905 N  N   . VAL   B 1 142 ? -30.363 19.555 -5.521  1.000 10.238  0 116 VAL   B N   1 ? 
ATOM   1906 C  CA  . VAL   B 1 142 ? -30.839 18.761 -4.401  1.000 10.033  0 116 VAL   B CA  1 ? 
ATOM   1907 C  C   . VAL   B 1 142 ? -32.240 19.196 -4.009  1.000 10.618  0 116 VAL   B C   1 ? 
ATOM   1908 O  O   . VAL   B 1 142 ? -32.735 20.237 -4.445  1.000 10.583  0 116 VAL   B O   1 ? 
ATOM   1909 C  CB  . VAL   B 1 142 ? -29.912 18.901 -3.198  1.000 11.087  0 116 VAL   B CB  1 ? 
ATOM   1910 C  CG1 . VAL   B 1 142 ? -28.532 18.379 -3.540  1.000 11.616  0 116 VAL   B CG1 1 ? 
ATOM   1911 C  CG2 . VAL   B 1 142 ? -29.886 20.344 -2.716  1.000 10.659  0 116 VAL   B CG2 1 ? 
ATOM   1912 N  N   . PRO   B 1 143 ? -32.952 18.416 -3.173  1.000 10.527  0 117 PRO   B N   1 ? 
ATOM   1913 C  CA  . PRO   B 1 143 ? -34.294 18.829 -2.748  1.000 10.904  0 117 PRO   B CA  1 ? 
ATOM   1914 C  C   . PRO   B 1 143 ? -34.313 20.086 -1.906  1.000 11.355  0 117 PRO   B C   1 ? 
ATOM   1915 O  O   . PRO   B 1 143 ? -33.483 20.268 -1.017  1.000 11.457  0 117 PRO   B O   1 ? 
ATOM   1916 C  CB  . PRO   B 1 143 ? -34.762 17.587 -1.950  1.000 11.039  0 117 PRO   B CB  1 ? 
ATOM   1917 C  CG  . PRO   B 1 143 ? -34.013 16.462 -2.588  1.000 11.356  0 117 PRO   B CG  1 ? 
ATOM   1918 C  CD  . PRO   B 1 143 ? -32.625 17.049 -2.717  1.000 11.493  0 117 PRO   B CD  1 ? 
ATOM   1919 N  N   . VAL   B 1 144 ? -35.284 20.968 -2.208  1.000 11.640  0 118 VAL   B N   1 ? 
ATOM   1920 C  CA  . VAL   B 1 144 ? -35.453 22.184 -1.465  1.000 11.941  0 118 VAL   B CA  1 ? 
ATOM   1921 C  C   . VAL   B 1 144 ? -36.869 22.292 -0.927  1.000 14.215  0 118 VAL   B C   1 ? 
ATOM   1922 O  O   . VAL   B 1 144 ? -37.131 23.226 -0.199  1.000 15.763  0 118 VAL   B O   1 ? 
ATOM   1923 C  CB  . VAL   B 1 144 ? -35.057 23.426 -2.295  1.000 11.839  0 118 VAL   B CB  1 ? 
ATOM   1924 C  CG1 . VAL   B 1 144 ? -33.567 23.490 -2.556  1.000 13.533  0 118 VAL   B CG1 1 ? 
ATOM   1925 C  CG2 . VAL   B 1 144 ? -35.868 23.545 -3.594  1.000 14.017  0 118 VAL   B CG2 1 ? 
ATOM   1926 N  N   . HIS   B 1 145 ? -37.791 21.395 -1.282  1.000 12.585  0 119 HIS   B N   1 ? 
ATOM   1927 C  CA  . HIS   B 1 145 ? -39.181 21.439 -0.848  1.000 12.791  0 119 HIS   B CA  1 ? 
ATOM   1928 C  C   . HIS   B 1 145 ? -39.738 20.032 -0.930  1.000 11.690  0 119 HIS   B C   1 ? 
ATOM   1929 O  O   . HIS   B 1 145 ? -39.461 19.350 -1.905  1.000 12.468  0 119 HIS   B O   1 ? 
ATOM   1930 C  CB  . HIS   B 1 145 ? -40.030 22.429 -1.680  1.000 14.992  0 119 HIS   B CB  1 ? 
ATOM   1931 C  CG  . HIS   B 1 145 ? -41.485 22.496 -1.328  1.000 19.803  0 119 HIS   B CG  1 ? 
ATOM   1932 N  ND1 . HIS   B 1 145 ? -41.835 23.193 -0.197  1.000 26.118  0 119 HIS   B ND1 1 ? 
ATOM   1933 C  CD2 . HIS   B 1 145 ? -42.642 22.074 -1.888  1.000 22.687  0 119 HIS   B CD2 1 ? 
ATOM   1934 C  CE1 . HIS   B 1 145 ? -43.154 23.143 -0.041  1.000 27.435  0 119 HIS   B CE1 1 ? 
ATOM   1935 N  NE2 . HIS   B 1 145 ? -43.663 22.485 -1.070  1.000 26.422  0 119 HIS   B NE2 1 ? 
ATOM   1936 N  N   . PHE   B 1 146 ? -40.554 19.659 0.062   1.000 12.596  0 120 PHE   B N   1 ? 
ATOM   1937 C  CA  . PHE   B 1 146 ? -41.295 18.422 0.051   1.000 12.065  0 120 PHE   B CA  1 ? 
ATOM   1938 C  C   . PHE   B 1 146 ? -42.686 18.733 -0.478  1.000 12.318  0 120 PHE   B C   1 ? 
ATOM   1939 O  O   . PHE   B 1 146 ? -43.439 19.462 0.194   1.000 15.510  0 120 PHE   B O   1 ? 
ATOM   1940 C  CB  . PHE   B 1 146 ? -41.311 17.859 1.477   1.000 12.856  0 120 PHE   B CB  1 ? 
ATOM   1941 C  CG  . PHE   B 1 146 ? -41.822 16.426 1.499   1.000 13.666  0 120 PHE   B CG  1 ? 
ATOM   1942 C  CD1 . PHE   B 1 146 ? -43.186 16.155 1.571   1.000 14.622  0 120 PHE   B CD1 1 ? 
ATOM   1943 C  CD2 . PHE   B 1 146 ? -40.928 15.359 1.370   1.000 15.717  0 120 PHE   B CD2 1 ? 
ATOM   1944 C  CE1 . PHE   B 1 146 ? -43.635 14.840 1.550   1.000 15.914  0 120 PHE   B CE1 1 ? 
ATOM   1945 C  CE2 . PHE   B 1 146 ? -41.397 14.053 1.350   1.000 16.308  0 120 PHE   B CE2 1 ? 
ATOM   1946 C  CZ  . PHE   B 1 146 ? -42.749 13.811 1.427   1.000 15.375  0 120 PHE   B CZ  1 ? 
ATOM   1947 N  N   . ASP   B 1 147 ? -42.993 18.240 -1.688  1.000 12.496  0 121 ASP   B N   1 ? 
ATOM   1948 C  CA  . ASP   B 1 147 ? -44.269 18.543 -2.320  1.000 12.635  0 121 ASP   B CA  1 ? 
ATOM   1949 C  C   . ASP   B 1 147 ? -45.387 17.601 -1.898  1.000 14.402  0 121 ASP   B C   1 ? 
ATOM   1950 O  O   . ASP   B 1 147 ? -46.506 18.059 -1.676  1.000 17.526  0 121 ASP   B O   1 ? 
ATOM   1951 C  CB  . ASP   B 1 147 ? -44.132 18.620 -3.821  1.000 13.231  0 121 ASP   B CB  1 ? 
ATOM   1952 C  CG  . ASP   B 1 147 ? -45.079 19.609 -4.482  1.000 14.795  0 121 ASP   B CG  1 ? 
ATOM   1953 O  OD1 . ASP   B 1 147 ? -45.058 20.775 -4.012  1.000 20.594  0 121 ASP   B OD1 1 ? 
ATOM   1954 O  OD2 . ASP   B 1 147 ? -45.741 19.237 -5.456  1.000 18.331  0 121 ASP   B OD2 1 ? 
ATOM   1955 N  N   . ALA   B 1 148 ? -45.136 16.294 -1.794  1.000 13.235  0 122 ALA   B N   1 ? 
ATOM   1956 C  CA  . ALA   B 1 148 ? -46.173 15.339 -1.454  1.000 13.919  0 122 ALA   B CA  1 ? 
ATOM   1957 C  C   . ALA   B 1 148 ? -45.579 13.949 -1.369  1.000 13.850  0 122 ALA   B C   1 ? 
ATOM   1958 O  O   . ALA   B 1 148 ? -44.432 13.733 -1.787  1.000 13.904  0 122 ALA   B O   1 ? 
ATOM   1959 C  CB  . ALA   B 1 148 ? -47.250 15.310 -2.524  1.000 16.161  0 122 ALA   B CB  1 ? 
ATOM   1960 N  N   . SER   B 1 149 ? -46.315 13.037 -0.744  1.000 16.204  0 123 SER   B N   1 ? 
ATOM   1961 C  CA  . SER   B 1 149 ? -46.075 11.604 -0.887  1.000 16.535  0 123 SER   B CA  1 ? 
ATOM   1962 C  C   . SER   B 1 149 ? -47.273 10.979 -1.598  1.000 18.763  0 123 SER   B C   1 ? 
ATOM   1963 O  O   . SER   B 1 149 ? -48.415 11.440 -1.429  1.000 21.674  0 123 SER   B O   1 ? 
ATOM   1964 C  CB  . SER   B 1 149 ? -45.774 10.952 0.442   1.000 19.321  0 123 SER   B CB  1 ? 
ATOM   1965 O  OG  . SER   B 1 149 ? -46.928 10.876 1.267   1.000 24.573  0 123 SER   B OG  1 ? 
ATOM   1966 N  N   . VAL   B 1 150 ? -47.015 9.984  -2.448  1.000 18.810  0 124 VAL   B N   1 ? 
ATOM   1967 C  CA  . VAL   B 1 150 ? -48.034 9.324  -3.243  1.000 20.235  0 124 VAL   B CA  1 ? 
ATOM   1968 C  C   . VAL   B 1 150 ? -47.861 7.784  -3.240  1.000 22.541  0 124 VAL   B C   1 ? 
ATOM   1969 O  O   . VAL   B 1 150 ? -46.765 7.302  -3.014  1.000 22.588  0 124 VAL   B O   1 ? 
ATOM   1970 C  CB  . VAL   B 1 150 ? -48.118 9.858  -4.689  1.000 22.711  0 124 VAL   B CB  1 ? 
ATOM   1971 C  CG1 . VAL   B 1 150 ? -48.457 11.339 -4.723  1.000 22.881  0 124 VAL   B CG1 1 ? 
ATOM   1972 C  CG2 . VAL   B 1 150 ? -46.848 9.604  -5.484  1.000 22.185  0 124 VAL   B CG2 1 ? 
ATOM   1973 O  OXT . VAL   B 1 150 ? -48.892 7.111  -3.486  1.000 28.446  0 124 VAL   B OXT 1 ? 
HETATM 1974 S  S   . SO4   C 2 .   ? -13.827 12.345 22.805  0.700 16.324  0 201 SO4   A S   1 ? 
HETATM 1975 O  O1  . SO4   C 2 .   ? -12.492 12.631 22.419  0.700 22.505  0 201 SO4   A O1  1 ? 
HETATM 1976 O  O2  . SO4   C 2 .   ? -13.870 12.363 24.252  0.700 19.304  0 201 SO4   A O2  1 ? 
HETATM 1977 O  O3  . SO4   C 2 .   ? -14.723 13.295 22.337  0.700 18.265  0 201 SO4   A O3  1 ? 
HETATM 1978 O  O4  . SO4   C 2 .   ? -14.164 11.012 22.274  0.700 17.005  0 201 SO4   A O4  1 ? 
HETATM 1979 RU RU1 . A1IHW D 3 .   ? -45.696 0.203  -7.442  0.350 32.107  0 201 A1IHW B RU1 1 ? 
HETATM 1980 RU RU2 . A1IHW D 3 .   ? -44.960 2.287  -6.826  0.350 25.524  0 201 A1IHW B RU2 1 ? 
HETATM 1981 O  O6  . A1IHW D 3 .   ? -44.290 2.513  -8.732  0.350 25.843  0 201 A1IHW B O6  1 ? 
HETATM 1982 O  O1  . A1IHW D 3 .   ? -46.253 -0.035 -5.496  0.350 27.128  0 201 A1IHW B O1  1 ? 
HETATM 1983 O  O2  . A1IHW D 3 .   ? -45.712 1.988  -4.953  0.350 26.541  0 201 A1IHW B O2  1 ? 
HETATM 1984 O  O5  . A1IHW D 3 .   ? -45.133 0.573  -9.360  0.350 28.663  0 201 A1IHW B O5  1 ? 
HETATM 1985 O  O3  . A1IHW D 3 .   ? -43.787 -0.428 -7.008  0.350 30.025  0 201 A1IHW B O3  1 ? 
HETATM 1986 O  O4  . A1IHW D 3 .   ? -43.203 1.382  -6.281  0.350 26.739  0 201 A1IHW B O4  1 ? 
HETATM 1987 N  N2  . A1IHW D 3 .   ? -46.725 2.985  -7.563  0.350 25.073  0 201 A1IHW B N2  1 ? 
HETATM 1988 N  N1  . A1IHW D 3 .   ? -47.559 0.919  -7.863  0.350 27.934  0 201 A1IHW B N1  1 ? 
HETATM 1989 C  C1  . A1IHW D 3 .   ? -46.302 1.095  -4.707  0.350 28.787  0 201 A1IHW B C1  1 ? 
HETATM 1990 C  C7  . A1IHW D 3 .   ? -47.628 2.193  -8.132  0.350 28.221  0 201 A1IHW B C7  1 ? 
HETATM 1991 N  N3  . A1IHW D 3 .   ? -53.234 -2.717 -8.511  0.350 31.627  0 201 A1IHW B N3  1 ? 
HETATM 1992 C  C5  . A1IHW D 3 .   ? -44.535 1.651  -9.647  0.350 26.942  0 201 A1IHW B C5  1 ? 
HETATM 1993 C  C2  . A1IHW D 3 .   ? -47.158 1.154  -3.493  0.350 27.926  0 201 A1IHW B C2  1 ? 
HETATM 1994 C  C20 . A1IHW D 3 .   ? -47.793 5.044  -6.913  0.350 23.719  0 201 A1IHW B C20 1 ? 
HETATM 1995 C  C9  . A1IHW D 3 .   ? -49.793 0.292  -7.181  0.350 32.841  0 201 A1IHW B C9  1 ? 
HETATM 1996 C  C10 . A1IHW D 3 .   ? -50.940 -0.442 -7.319  0.350 31.829  0 201 A1IHW B C10 1 ? 
HETATM 1997 C  C15 . A1IHW D 3 .   ? -46.934 4.352  -7.764  0.350 23.702  0 201 A1IHW B C15 1 ? 
HETATM 1998 C  C8  . A1IHW D 3 .   ? -48.764 0.128  -8.031  0.350 31.882  0 201 A1IHW B C8  1 ? 
HETATM 1999 C  C6  . A1IHW D 3 .   ? -44.103 1.955  -11.070 0.350 24.360  0 201 A1IHW B C6  1 ? 
HETATM 2000 C  C13 . A1IHW D 3 .   ? -48.834 -0.824 -9.096  0.350 33.944  0 201 A1IHW B C13 1 ? 
HETATM 2001 C  C16 . A1IHW D 3 .   ? -46.223 4.953  -8.796  0.350 23.042  0 201 A1IHW B C16 1 ? 
HETATM 2002 C  C17 . A1IHW D 3 .   ? -46.389 6.288  -9.001  0.350 24.418  0 201 A1IHW B C17 1 ? 
HETATM 2003 C  C11 . A1IHW D 3 .   ? -51.027 -1.367 -8.335  0.350 31.694  0 201 A1IHW B C11 1 ? 
HETATM 2004 C  C14 . A1IHW D 3 .   ? -52.223 -2.124 -8.457  0.350 30.392  0 201 A1IHW B C14 1 ? 
HETATM 2005 N  N4  . A1IHW D 3 .   ? -47.506 9.535  -8.638  0.350 28.679  0 201 A1IHW B N4  1 ? 
HETATM 2006 C  C12 . A1IHW D 3 .   ? -49.972 -1.562 -9.228  0.350 31.292  0 201 A1IHW B C12 1 ? 
HETATM 2007 C  C18 . A1IHW D 3 .   ? -47.237 7.007  -8.194  0.350 23.074  0 201 A1IHW B C18 1 ? 
HETATM 2008 C  C19 . A1IHW D 3 .   ? -47.929 6.423  -7.155  0.350 21.905  0 201 A1IHW B C19 1 ? 
HETATM 2009 C  C21 . A1IHW D 3 .   ? -47.413 8.415  -8.405  0.350 23.585  0 201 A1IHW B C21 1 ? 
HETATM 2010 O  O   . HOH   E 4 .   ? -21.900 -0.058 22.768  1.000 41.751  0 301 HOH   A O   1 ? 
HETATM 2011 O  O   . HOH   E 4 .   ? -25.577 24.593 39.230  1.000 35.845  0 302 HOH   A O   1 ? 
HETATM 2012 O  O   . HOH   E 4 .   ? -27.254 26.871 31.155  1.000 34.593  0 303 HOH   A O   1 ? 
HETATM 2013 O  O   . HOH   E 4 .   ? -13.360 7.414  15.786  1.000 27.403  0 304 HOH   A O   1 ? 
HETATM 2014 O  O   . HOH   E 4 .   ? -17.419 28.722 42.065  1.000 34.518  0 305 HOH   A O   1 ? 
HETATM 2015 O  O   . HOH   E 4 .   ? -10.392 9.517  37.180  1.000 38.765  0 306 HOH   A O   1 ? 
HETATM 2016 O  O   . HOH   E 4 .   ? -18.639 22.877 24.985  1.000 36.936  0 307 HOH   A O   1 ? 
HETATM 2017 O  O   . HOH   E 4 .   ? -15.914 4.404  16.622  1.000 29.519  0 308 HOH   A O   1 ? 
HETATM 2018 O  O   . HOH   E 4 .   ? -32.871 18.282 20.512  1.000 20.122  0 309 HOH   A O   1 ? 
HETATM 2019 O  O   . HOH   E 4 .   ? -6.443  11.146 39.451  1.000 40.149  0 310 HOH   A O   1 ? 
HETATM 2020 O  O   . HOH   E 4 .   ? 1.739   15.957 38.622  1.000 35.788  0 311 HOH   A O   1 ? 
HETATM 2021 O  O   . HOH   E 4 .   ? -26.606 24.651 41.414  0.700 28.744  0 312 HOH   A O   1 ? 
HETATM 2022 O  O   . HOH   E 4 .   ? -15.598 19.863 25.066  1.000 35.298  0 313 HOH   A O   1 ? 
HETATM 2023 O  O   . HOH   E 4 .   ? -26.613 10.521 34.828  1.000 40.263  0 314 HOH   A O   1 ? 
HETATM 2024 O  O   . HOH   E 4 .   ? -35.932 12.013 25.064  1.000 39.071  0 315 HOH   A O   1 ? 
HETATM 2025 O  O   . HOH   E 4 .   ? -32.438 21.964 26.714  1.000 32.466  0 316 HOH   A O   1 ? 
HETATM 2026 O  O   . HOH   E 4 .   ? -22.688 1.493  16.528  1.000 20.107  0 317 HOH   A O   1 ? 
HETATM 2027 O  O   . HOH   E 4 .   ? -4.464  20.215 42.165  1.000 42.565  0 318 HOH   A O   1 ? 
HETATM 2028 O  O   . HOH   E 4 .   ? -31.464 6.423  19.218  1.000 30.613  0 319 HOH   A O   1 ? 
HETATM 2029 O  O   . HOH   E 4 .   ? -20.982 25.423 13.308  1.000 18.367  0 320 HOH   A O   1 ? 
HETATM 2030 O  O   . HOH   E 4 .   ? -15.924 7.208  22.130  1.000 16.961  0 321 HOH   A O   1 ? 
HETATM 2031 O  O   . HOH   E 4 .   ? -0.179  22.955 36.136  0.500 43.757  0 322 HOH   A O   1 ? 
HETATM 2032 O  O   . HOH   E 4 .   ? -16.247 25.250 39.332  1.000 30.162  0 323 HOH   A O   1 ? 
HETATM 2033 O  O   . HOH   E 4 .   ? -17.635 27.668 39.623  1.000 34.441  0 324 HOH   A O   1 ? 
HETATM 2034 O  O   . HOH   E 4 .   ? -26.908 11.307 9.204   1.000 25.435  0 325 HOH   A O   1 ? 
HETATM 2035 O  O   . HOH   E 4 .   ? -17.509 24.583 46.198  1.000 27.358  0 326 HOH   A O   1 ? 
HETATM 2036 O  O   . HOH   E 4 .   ? -12.429 16.506 15.119  1.000 14.489  0 327 HOH   A O   1 ? 
HETATM 2037 O  O   . HOH   E 4 .   ? -23.326 2.534  25.003  1.000 49.135  0 328 HOH   A O   1 ? 
HETATM 2038 O  O   . HOH   E 4 .   ? -13.528 4.098  13.702  1.000 22.998  0 329 HOH   A O   1 ? 
HETATM 2039 O  O   . HOH   E 4 .   ? -33.512 15.521 26.492  1.000 22.125  0 330 HOH   A O   1 ? 
HETATM 2040 O  O   . HOH   E 4 .   ? -3.443  17.487 31.927  1.000 31.431  0 331 HOH   A O   1 ? 
HETATM 2041 O  O   . HOH   E 4 .   ? -15.410 25.638 32.473  1.000 28.241  0 332 HOH   A O   1 ? 
HETATM 2042 O  O   . HOH   E 4 .   ? -24.867 11.602 7.254   1.000 28.339  0 333 HOH   A O   1 ? 
HETATM 2043 O  O   . HOH   E 4 .   ? -25.089 20.717 6.226   1.000 31.084  0 334 HOH   A O   1 ? 
HETATM 2044 O  O   . HOH   E 4 .   ? -32.672 9.060  18.917  1.000 23.621  0 335 HOH   A O   1 ? 
HETATM 2045 O  O   . HOH   E 4 .   ? -13.987 25.985 28.888  1.000 38.964  0 336 HOH   A O   1 ? 
HETATM 2046 O  O   . HOH   E 4 .   ? -12.327 14.786 5.071   1.000 29.440  0 337 HOH   A O   1 ? 
HETATM 2047 O  O   . HOH   E 4 .   ? -9.698  17.972 42.727  1.000 40.807  0 338 HOH   A O   1 ? 
HETATM 2048 O  O   . HOH   E 4 .   ? -15.226 10.097 14.206  1.000 17.666  0 339 HOH   A O   1 ? 
HETATM 2049 O  O   . HOH   E 4 .   ? -11.562 7.637  29.596  1.000 38.993  0 340 HOH   A O   1 ? 
HETATM 2050 O  O   . HOH   E 4 .   ? -27.879 14.334 8.790   1.000 33.443  0 341 HOH   A O   1 ? 
HETATM 2051 O  O   . HOH   E 4 .   ? -14.692 14.936 17.628  1.000 19.003  0 342 HOH   A O   1 ? 
HETATM 2052 O  O   . HOH   E 4 .   ? -31.787 19.186 18.126  1.000 19.305  0 343 HOH   A O   1 ? 
HETATM 2053 O  O   . HOH   E 4 .   ? -15.988 11.895 42.241  1.000 34.183  0 344 HOH   A O   1 ? 
HETATM 2054 O  O   . HOH   E 4 .   ? -27.694 7.735  16.963  1.000 19.622  0 345 HOH   A O   1 ? 
HETATM 2055 O  O   . HOH   E 4 .   ? -9.167  14.697 8.257   1.000 26.784  0 346 HOH   A O   1 ? 
HETATM 2056 O  O   . HOH   E 4 .   ? -18.684 2.038  29.530  1.000 36.351  0 347 HOH   A O   1 ? 
HETATM 2057 O  O   . HOH   E 4 .   ? -27.782 24.371 14.953  1.000 25.642  0 348 HOH   A O   1 ? 
HETATM 2058 O  O   . HOH   E 4 .   ? -20.797 3.641  29.095  1.000 26.688  0 349 HOH   A O   1 ? 
HETATM 2059 O  O   . HOH   E 4 .   ? -28.143 9.038  28.965  1.000 31.859  0 350 HOH   A O   1 ? 
HETATM 2060 O  O   . HOH   E 4 .   ? -24.537 15.594 4.506   1.000 20.168  0 351 HOH   A O   1 ? 
HETATM 2061 O  O   . HOH   E 4 .   ? -6.417  28.682 35.571  1.000 52.887  0 352 HOH   A O   1 ? 
HETATM 2062 O  O   . HOH   E 4 .   ? -22.874 6.930  22.105  1.000 14.657  0 353 HOH   A O   1 ? 
HETATM 2063 O  O   . HOH   E 4 .   ? -15.493 21.648 39.508  1.000 23.654  0 354 HOH   A O   1 ? 
HETATM 2064 O  O   . HOH   E 4 .   ? -19.943 26.394 38.478  1.000 32.369  0 355 HOH   A O   1 ? 
HETATM 2065 O  O   . HOH   E 4 .   ? -16.039 9.684  23.856  1.000 19.138  0 356 HOH   A O   1 ? 
HETATM 2066 O  O   . HOH   E 4 .   ? -23.286 25.432 11.405  1.000 36.506  0 357 HOH   A O   1 ? 
HETATM 2067 O  O   . HOH   E 4 .   ? -28.546 7.283  13.535  1.000 27.588  0 358 HOH   A O   1 ? 
HETATM 2068 O  O   . HOH   E 4 .   ? -31.366 16.753 9.259   1.000 15.083  0 359 HOH   A O   1 ? 
HETATM 2069 O  O   . HOH   E 4 .   ? -19.287 11.619 6.675   1.000 23.868  0 360 HOH   A O   1 ? 
HETATM 2070 O  O   . HOH   E 4 .   ? -5.693  27.571 39.165  1.000 54.790  0 361 HOH   A O   1 ? 
HETATM 2071 O  O   . HOH   E 4 .   ? -17.736 22.908 11.095  1.000 11.976  0 362 HOH   A O   1 ? 
HETATM 2072 O  O   . HOH   E 4 .   ? -16.921 20.965 14.341  1.000 11.699  0 363 HOH   A O   1 ? 
HETATM 2073 O  O   . HOH   E 4 .   ? -32.187 15.847 19.283  1.000 15.288  0 364 HOH   A O   1 ? 
HETATM 2074 O  O   . HOH   E 4 .   ? -20.858 30.339 18.711  1.000 37.657  0 365 HOH   A O   1 ? 
HETATM 2075 O  O   . HOH   E 4 .   ? -25.490 29.404 27.642  1.000 44.748  0 366 HOH   A O   1 ? 
HETATM 2076 O  O   . HOH   E 4 .   ? -30.989 24.083 26.004  1.000 29.816  0 367 HOH   A O   1 ? 
HETATM 2077 O  O   . HOH   E 4 .   ? -24.538 2.873  9.482   1.000 17.441  0 368 HOH   A O   1 ? 
HETATM 2078 O  O   . HOH   E 4 .   ? -9.880  26.335 33.752  1.000 42.253  0 369 HOH   A O   1 ? 
HETATM 2079 O  O   . HOH   E 4 .   ? -18.658 8.167  10.101  1.000 10.250  0 370 HOH   A O   1 ? 
HETATM 2080 O  O   . HOH   E 4 .   ? -33.648 23.523 23.421  1.000 37.490  0 371 HOH   A O   1 ? 
HETATM 2081 O  O   . HOH   E 4 .   ? -30.356 28.745 18.703  1.000 48.390  0 372 HOH   A O   1 ? 
HETATM 2082 O  O   . HOH   E 4 .   ? -25.052 5.277  22.145  1.000 20.132  0 373 HOH   A O   1 ? 
HETATM 2083 O  O   . HOH   E 4 .   ? -16.660 26.081 19.507  1.000 37.277  0 374 HOH   A O   1 ? 
HETATM 2084 O  O   A HOH   E 4 .   ? -33.491 14.391 14.993  0.500 14.376  0 375 HOH   A O   1 ? 
HETATM 2085 O  O   B HOH   E 4 .   ? -32.792 13.330 14.316  0.500 13.928  0 375 HOH   A O   1 ? 
HETATM 2086 O  O   . HOH   E 4 .   ? -24.888 24.047 43.663  1.000 31.092  0 376 HOH   A O   1 ? 
HETATM 2087 O  O   . HOH   E 4 .   ? -9.103  22.524 13.670  1.000 25.197  0 377 HOH   A O   1 ? 
HETATM 2088 O  O   . HOH   E 4 .   ? -20.478 9.480  37.432  1.000 36.777  0 378 HOH   A O   1 ? 
HETATM 2089 O  O   . HOH   E 4 .   ? -14.151 9.924  10.437  1.000 19.262  0 379 HOH   A O   1 ? 
HETATM 2090 O  O   . HOH   E 4 .   ? -16.190 0.386  19.316  1.000 30.997  0 380 HOH   A O   1 ? 
HETATM 2091 O  O   . HOH   E 4 .   ? -1.667  17.823 35.854  1.000 40.806  0 381 HOH   A O   1 ? 
HETATM 2092 O  O   . HOH   E 4 .   ? -22.258 22.327 6.812   1.000 34.215  0 382 HOH   A O   1 ? 
HETATM 2093 O  O   . HOH   E 4 .   ? -12.419 18.249 18.863  1.000 27.653  0 383 HOH   A O   1 ? 
HETATM 2094 O  O   . HOH   E 4 .   ? -21.502 19.270 45.307  1.000 33.517  0 384 HOH   A O   1 ? 
HETATM 2095 O  O   . HOH   E 4 .   ? -9.194  17.333 26.526  1.000 34.525  0 385 HOH   A O   1 ? 
HETATM 2096 O  O   . HOH   E 4 .   ? -33.276 25.232 21.012  1.000 32.197  0 386 HOH   A O   1 ? 
HETATM 2097 O  O   . HOH   E 4 .   ? -20.360 3.082  16.810  1.000 19.073  0 387 HOH   A O   1 ? 
HETATM 2098 O  O   . HOH   E 4 .   ? -19.502 1.800  19.225  1.000 22.885  0 388 HOH   A O   1 ? 
HETATM 2099 O  O   . HOH   E 4 .   ? -28.765 3.020  22.767  1.000 30.183  0 389 HOH   A O   1 ? 
HETATM 2100 O  O   . HOH   E 4 .   ? -26.295 9.965  31.613  1.000 21.327  0 390 HOH   A O   1 ? 
HETATM 2101 O  O   . HOH   E 4 .   ? -15.578 17.317 25.334  1.000 19.655  0 391 HOH   A O   1 ? 
HETATM 2102 O  O   . HOH   E 4 .   ? -20.570 -0.814 13.332  1.000 30.902  0 392 HOH   A O   1 ? 
HETATM 2103 O  O   . HOH   E 4 .   ? -12.059 9.008  6.134   1.000 15.718  0 393 HOH   A O   1 ? 
HETATM 2104 O  O   . HOH   E 4 .   ? -14.257 12.371 13.178  1.000 14.507  0 394 HOH   A O   1 ? 
HETATM 2105 O  O   . HOH   E 4 .   ? -27.780 29.668 29.234  1.000 37.517  0 395 HOH   A O   1 ? 
HETATM 2106 O  O   . HOH   E 4 .   ? -10.885 3.930  26.458  1.000 39.105  0 396 HOH   A O   1 ? 
HETATM 2107 O  O   . HOH   E 4 .   ? -32.071 14.882 30.654  1.000 33.385  0 397 HOH   A O   1 ? 
HETATM 2108 O  O   . HOH   E 4 .   ? -32.033 26.848 17.512  1.000 40.252  0 398 HOH   A O   1 ? 
HETATM 2109 O  O   . HOH   E 4 .   ? -29.664 9.525  14.408  1.000 25.420  0 399 HOH   A O   1 ? 
HETATM 2110 O  O   . HOH   E 4 .   ? -32.485 18.024 23.308  1.000 23.003  0 400 HOH   A O   1 ? 
HETATM 2111 O  O   . HOH   E 4 .   ? -24.826 16.562 39.924  1.000 40.246  0 401 HOH   A O   1 ? 
HETATM 2112 O  O   . HOH   E 4 .   ? -13.924 15.504 24.300  1.000 32.908  0 402 HOH   A O   1 ? 
HETATM 2113 O  O   . HOH   E 4 .   ? -17.242 11.767 3.140   1.000 31.382  0 403 HOH   A O   1 ? 
HETATM 2114 O  O   . HOH   E 4 .   ? -16.326 24.065 21.710  1.000 30.865  0 404 HOH   A O   1 ? 
HETATM 2115 O  O   A HOH   E 4 .   ? -27.992 3.559  11.705  0.500 13.506  0 405 HOH   A O   1 ? 
HETATM 2116 O  O   B HOH   E 4 .   ? -28.358 4.201  12.720  0.500 19.725  0 405 HOH   A O   1 ? 
HETATM 2117 O  O   . HOH   E 4 .   ? -28.084 25.732 8.264   1.000 21.259  0 406 HOH   A O   1 ? 
HETATM 2118 O  O   . HOH   E 4 .   ? -13.494 13.890 15.309  1.000 20.173  0 407 HOH   A O   1 ? 
HETATM 2119 O  O   . HOH   E 4 .   ? -30.056 26.414 15.077  1.000 43.631  0 408 HOH   A O   1 ? 
HETATM 2120 O  O   . HOH   E 4 .   ? -19.220 22.243 6.987   1.000 20.851  0 409 HOH   A O   1 ? 
HETATM 2121 O  O   . HOH   E 4 .   ? -13.103 14.589 19.915  1.000 24.972  0 410 HOH   A O   1 ? 
HETATM 2122 O  O   . HOH   E 4 .   ? -21.319 0.020  20.006  1.000 40.381  0 411 HOH   A O   1 ? 
HETATM 2123 O  O   . HOH   E 4 .   ? -22.993 26.471 7.542   1.000 38.219  0 412 HOH   A O   1 ? 
HETATM 2124 O  O   . HOH   E 4 .   ? -13.475 3.314  32.389  1.000 37.938  0 413 HOH   A O   1 ? 
HETATM 2125 O  O   . HOH   E 4 .   ? -18.525 17.789 6.645   1.000 31.771  0 414 HOH   A O   1 ? 
HETATM 2126 O  O   . HOH   E 4 .   ? -11.303 12.407 16.467  1.000 35.122  0 415 HOH   A O   1 ? 
HETATM 2127 O  O   A HOH   E 4 .   ? -19.832 12.781 40.517  0.500 24.565  0 416 HOH   A O   1 ? 
HETATM 2128 O  O   B HOH   E 4 .   ? -20.945 14.091 40.976  0.500 25.257  0 416 HOH   A O   1 ? 
HETATM 2129 O  O   . HOH   E 4 .   ? -21.800 -1.133 16.287  1.000 36.702  0 417 HOH   A O   1 ? 
HETATM 2130 O  O   . HOH   E 4 .   ? -25.804 23.275 6.591   1.000 36.143  0 418 HOH   A O   1 ? 
HETATM 2131 O  O   . HOH   E 4 .   ? -20.050 -1.637 25.656  1.000 32.669  0 419 HOH   A O   1 ? 
HETATM 2132 O  O   . HOH   E 4 .   ? -13.821 25.910 40.460  1.000 35.207  0 420 HOH   A O   1 ? 
HETATM 2133 O  O   A HOH   E 4 .   ? -21.740 24.606 8.895   0.500 19.627  0 421 HOH   A O   1 ? 
HETATM 2134 O  O   B HOH   E 4 .   ? -21.213 25.549 10.099  0.500 18.901  0 421 HOH   A O   1 ? 
HETATM 2135 O  O   . HOH   E 4 .   ? -35.147 10.025 19.303  1.000 36.145  0 422 HOH   A O   1 ? 
HETATM 2136 O  O   A HOH   E 4 .   ? -13.313 3.256  22.028  0.500 23.320  0 423 HOH   A O   1 ? 
HETATM 2137 O  O   B HOH   E 4 .   ? -13.388 2.254  23.821  0.500 29.850  0 423 HOH   A O   1 ? 
HETATM 2138 O  O   . HOH   E 4 .   ? -17.080 13.958 45.825  1.000 43.899  0 424 HOH   A O   1 ? 
HETATM 2139 O  O   . HOH   E 4 .   ? -27.782 2.183  20.150  1.000 26.833  0 425 HOH   A O   1 ? 
HETATM 2140 O  O   . HOH   E 4 .   ? -10.216 16.809 16.613  1.000 29.170  0 426 HOH   A O   1 ? 
HETATM 2141 O  O   . HOH   E 4 .   ? -6.505  29.504 37.904  1.000 74.703  0 427 HOH   A O   1 ? 
HETATM 2142 O  O   . HOH   E 4 .   ? -2.522  17.584 29.707  1.000 33.416  0 428 HOH   A O   1 ? 
HETATM 2143 O  O   . HOH   E 4 .   ? -22.505 -1.366 25.075  1.000 46.236  0 429 HOH   A O   1 ? 
HETATM 2144 O  O   . HOH   E 4 .   ? -26.031 14.184 6.495   1.000 28.138  0 430 HOH   A O   1 ? 
HETATM 2145 O  O   . HOH   E 4 .   ? -25.178 2.776  20.864  1.000 23.192  0 431 HOH   A O   1 ? 
HETATM 2146 O  O   . HOH   E 4 .   ? -17.761 2.779  16.194  1.000 30.106  0 432 HOH   A O   1 ? 
HETATM 2147 O  O   . HOH   E 4 .   ? -29.584 5.724  17.319  1.000 29.862  0 433 HOH   A O   1 ? 
HETATM 2148 O  O   . HOH   E 4 .   ? -13.832 24.032 44.587  1.000 46.685  0 434 HOH   A O   1 ? 
HETATM 2149 O  O   . HOH   E 4 .   ? -24.294 19.663 3.826   1.000 33.184  0 435 HOH   A O   1 ? 
HETATM 2150 O  O   . HOH   E 4 .   ? -14.800 13.210 43.736  1.000 37.328  0 436 HOH   A O   1 ? 
HETATM 2151 O  O   . HOH   E 4 .   ? -25.552 31.740 19.322  1.000 36.587  0 437 HOH   A O   1 ? 
HETATM 2152 O  O   . HOH   E 4 .   ? -13.668 6.107  21.246  1.000 28.178  0 438 HOH   A O   1 ? 
HETATM 2153 O  O   . HOH   E 4 .   ? -29.139 3.244  18.172  1.000 34.536  0 439 HOH   A O   1 ? 
HETATM 2154 O  O   . HOH   E 4 .   ? -13.237 15.746 2.771   1.000 28.653  0 440 HOH   A O   1 ? 
HETATM 2155 O  O   . HOH   E 4 .   ? -23.625 1.148  19.120  1.000 23.883  0 441 HOH   A O   1 ? 
HETATM 2156 O  O   . HOH   E 4 .   ? -6.918  21.299 20.665  1.000 52.434  0 442 HOH   A O   1 ? 
HETATM 2157 O  O   . HOH   F 4 .   ? -41.715 3.892  7.487   1.000 23.289  0 301 HOH   B O   1 ? 
HETATM 2158 O  O   . HOH   F 4 .   ? -36.356 28.889 -6.282  1.000 34.553  0 302 HOH   B O   1 ? 
HETATM 2159 O  O   . HOH   F 4 .   ? -32.450 4.619  5.996   1.000 36.607  0 303 HOH   B O   1 ? 
HETATM 2160 O  O   . HOH   F 4 .   ? -27.143 17.936 7.005   1.000 23.025  0 304 HOH   B O   1 ? 
HETATM 2161 O  O   . HOH   F 4 .   ? -46.344 12.490 3.099   1.000 35.196  0 305 HOH   B O   1 ? 
HETATM 2162 O  O   . HOH   F 4 .   ? -52.816 24.341 14.390  1.000 30.837  0 306 HOH   B O   1 ? 
HETATM 2163 O  O   . HOH   F 4 .   ? -37.300 1.733  1.515   1.000 33.956  0 307 HOH   B O   1 ? 
HETATM 2164 O  O   . HOH   F 4 .   ? -29.927 15.190 6.295   1.000 32.372  0 308 HOH   B O   1 ? 
HETATM 2165 O  O   . HOH   F 4 .   ? -49.757 26.045 8.086   1.000 27.295  0 309 HOH   B O   1 ? 
HETATM 2166 O  O   . HOH   F 4 .   ? -26.296 29.003 5.808   1.000 34.115  0 310 HOH   B O   1 ? 
HETATM 2167 O  O   . HOH   F 4 .   ? -46.210 11.814 18.239  1.000 22.122  0 311 HOH   B O   1 ? 
HETATM 2168 O  O   . HOH   F 4 .   ? -49.418 12.766 20.424  1.000 32.443  0 312 HOH   B O   1 ? 
HETATM 2169 O  O   . HOH   F 4 .   ? -50.310 9.816  0.000   0.500 35.647  0 313 HOH   B O   1 ? 
HETATM 2170 O  O   . HOH   F 4 .   ? -36.453 24.197 2.141   1.000 17.539  0 314 HOH   B O   1 ? 
HETATM 2171 O  O   . HOH   F 4 .   ? -37.932 5.860  14.948  1.000 39.387  0 315 HOH   B O   1 ? 
HETATM 2172 O  O   . HOH   F 4 .   ? -35.479 18.398 20.939  1.000 41.870  0 316 HOH   B O   1 ? 
HETATM 2173 O  O   . HOH   F 4 .   ? -50.431 12.858 -2.379  1.000 27.928  0 317 HOH   B O   1 ? 
HETATM 2174 O  O   . HOH   F 4 .   ? -36.080 7.307  12.871  1.000 42.935  0 318 HOH   B O   1 ? 
HETATM 2175 O  O   . HOH   F 4 .   ? -46.613 11.902 -9.419  1.000 26.260  0 319 HOH   B O   1 ? 
HETATM 2176 O  O   . HOH   F 4 .   ? -27.255 10.520 -4.597  1.000 24.988  0 320 HOH   B O   1 ? 
HETATM 2177 O  O   . HOH   F 4 .   ? -31.530 3.643  13.242  1.000 35.313  0 321 HOH   B O   1 ? 
HETATM 2178 O  O   . HOH   F 4 .   ? -32.010 8.379  -13.220 1.000 15.529  0 322 HOH   B O   1 ? 
HETATM 2179 O  O   . HOH   F 4 .   ? -27.720 31.282 3.022   1.000 33.542  0 323 HOH   B O   1 ? 
HETATM 2180 O  O   . HOH   F 4 .   ? -40.133 16.478 -18.212 1.000 32.311  0 324 HOH   B O   1 ? 
HETATM 2181 O  O   . HOH   F 4 .   ? -34.510 14.510 18.061  1.000 28.598  0 325 HOH   B O   1 ? 
HETATM 2182 O  O   . HOH   F 4 .   ? -28.179 13.479 -12.651 1.000 35.646  0 326 HOH   B O   1 ? 
HETATM 2183 O  O   . HOH   F 4 .   ? -25.286 12.543 -0.918  1.000 34.894  0 327 HOH   B O   1 ? 
HETATM 2184 O  O   . HOH   F 4 .   ? -49.950 9.138  7.167   1.000 30.219  0 328 HOH   B O   1 ? 
HETATM 2185 O  O   . HOH   F 4 .   ? -46.147 9.477  -11.926 1.000 37.706  0 329 HOH   B O   1 ? 
HETATM 2186 O  O   . HOH   F 4 .   ? -30.079 23.980 8.974   1.000 17.345  0 330 HOH   B O   1 ? 
HETATM 2187 O  O   . HOH   F 4 .   ? -31.788 4.663  1.868   1.000 16.809  0 331 HOH   B O   1 ? 
HETATM 2188 O  O   . HOH   F 4 .   ? -32.326 15.998 -13.149 1.000 26.959  0 332 HOH   B O   1 ? 
HETATM 2189 O  O   . HOH   F 4 .   ? -25.779 17.738 3.425   1.000 23.005  0 333 HOH   B O   1 ? 
HETATM 2190 O  O   . HOH   F 4 .   ? -34.972 28.827 6.798   1.000 32.491  0 334 HOH   B O   1 ? 
HETATM 2191 O  O   . HOH   F 4 .   ? -43.977 24.956 21.496  1.000 36.654  0 335 HOH   B O   1 ? 
HETATM 2192 O  O   . HOH   F 4 .   ? -33.720 25.878 13.146  1.000 39.473  0 336 HOH   B O   1 ? 
HETATM 2193 O  O   . HOH   F 4 .   ? -50.287 11.036 11.172  1.000 20.459  0 337 HOH   B O   1 ? 
HETATM 2194 O  O   . HOH   F 4 .   ? -29.792 13.643 -8.466  1.000 28.860  0 338 HOH   B O   1 ? 
HETATM 2195 O  O   . HOH   F 4 .   ? -34.805 12.927 -14.730 1.000 29.558  0 339 HOH   B O   1 ? 
HETATM 2196 O  O   . HOH   F 4 .   ? -50.515 25.987 14.004  1.000 31.943  0 340 HOH   B O   1 ? 
HETATM 2197 O  O   . HOH   F 4 .   ? -33.859 7.178  -15.058 1.000 15.546  0 341 HOH   B O   1 ? 
HETATM 2198 O  O   . HOH   F 4 .   ? -21.852 20.467 -7.691  1.000 27.713  0 342 HOH   B O   1 ? 
HETATM 2199 O  O   . HOH   F 4 .   ? -45.218 23.295 -5.033  1.000 21.734  0 343 HOH   B O   1 ? 
HETATM 2200 O  O   . HOH   F 4 .   ? -36.431 2.980  -0.865  1.000 20.294  0 344 HOH   B O   1 ? 
HETATM 2201 O  O   . HOH   F 4 .   ? -47.386 20.470 -0.756  1.000 48.008  0 345 HOH   B O   1 ? 
HETATM 2202 O  O   . HOH   F 4 .   ? -38.500 20.926 -15.520 1.000 39.432  0 346 HOH   B O   1 ? 
HETATM 2203 O  O   . HOH   F 4 .   ? -51.880 23.871 25.236  1.000 49.307  0 347 HOH   B O   1 ? 
HETATM 2204 O  O   . HOH   F 4 .   ? -41.094 26.751 14.413  1.000 36.828  0 348 HOH   B O   1 ? 
HETATM 2205 O  O   . HOH   F 4 .   ? -34.578 2.546  -5.031  1.000 18.821  0 349 HOH   B O   1 ? 
HETATM 2206 O  O   . HOH   F 4 .   ? -52.169 20.376 23.230  1.000 41.530  0 350 HOH   B O   1 ? 
HETATM 2207 O  O   . HOH   F 4 .   ? -26.976 5.605  0.487   1.000 30.397  0 351 HOH   B O   1 ? 
HETATM 2208 O  O   . HOH   F 4 .   ? -41.435 12.744 -16.602 1.000 29.588  0 352 HOH   B O   1 ? 
HETATM 2209 O  O   . HOH   F 4 .   ? -31.685 19.181 0.747   1.000 9.986   0 353 HOH   B O   1 ? 
HETATM 2210 O  O   . HOH   F 4 .   ? -53.904 16.298 21.495  1.000 30.834  0 354 HOH   B O   1 ? 
HETATM 2211 O  O   . HOH   F 4 .   ? -41.932 4.077  -10.434 1.000 18.946  0 355 HOH   B O   1 ? 
HETATM 2212 O  O   . HOH   F 4 .   ? -46.368 22.080 -1.975  1.000 39.347  0 356 HOH   B O   1 ? 
HETATM 2213 O  O   . HOH   F 4 .   ? -37.488 27.111 13.223  1.000 39.576  0 357 HOH   B O   1 ? 
HETATM 2214 O  O   . HOH   F 4 .   ? -28.315 6.761  -4.101  1.000 27.931  0 358 HOH   B O   1 ? 
HETATM 2215 O  O   . HOH   F 4 .   ? -36.594 6.228  -5.797  1.000 12.733  0 359 HOH   B O   1 ? 
HETATM 2216 O  O   . HOH   F 4 .   ? -29.902 21.346 7.893   1.000 13.479  0 360 HOH   B O   1 ? 
HETATM 2217 O  O   . HOH   F 4 .   ? -33.156 7.123  -4.944  1.000 13.941  0 361 HOH   B O   1 ? 
HETATM 2218 O  O   . HOH   F 4 .   ? -44.600 13.870 -15.516 1.000 32.624  0 362 HOH   B O   1 ? 
HETATM 2219 O  O   . HOH   F 4 .   ? -49.436 11.518 -8.745  1.000 34.313  0 363 HOH   B O   1 ? 
HETATM 2220 O  O   . HOH   F 4 .   ? -56.935 22.623 18.796  0.700 26.799  0 364 HOH   B O   1 ? 
HETATM 2221 O  O   . HOH   F 4 .   ? -33.869 1.415  1.548   1.000 36.024  0 365 HOH   B O   1 ? 
HETATM 2222 O  O   . HOH   F 4 .   ? -48.779 8.952  17.517  1.000 25.128  0 366 HOH   B O   1 ? 
HETATM 2223 O  O   . HOH   F 4 .   ? -34.489 24.121 -10.276 1.000 11.540  0 367 HOH   B O   1 ? 
HETATM 2224 O  O   . HOH   F 4 .   ? -27.717 16.073 -7.918  1.000 33.277  0 368 HOH   B O   1 ? 
HETATM 2225 O  O   . HOH   F 4 .   ? -39.501 23.544 18.208  1.000 27.719  0 369 HOH   B O   1 ? 
HETATM 2226 O  O   . HOH   F 4 .   ? -40.927 24.715 -7.213  1.000 20.748  0 370 HOH   B O   1 ? 
HETATM 2227 O  O   . HOH   F 4 .   ? -30.047 24.026 -3.270  1.000 16.880  0 371 HOH   B O   1 ? 
HETATM 2228 O  O   . HOH   F 4 .   ? -38.074 9.562  -15.798 1.000 19.272  0 372 HOH   B O   1 ? 
HETATM 2229 O  O   . HOH   F 4 .   ? -43.970 5.749  -10.541 1.000 35.110  0 373 HOH   B O   1 ? 
HETATM 2230 O  O   . HOH   F 4 .   ? -22.499 25.995 -5.024  1.000 23.648  0 374 HOH   B O   1 ? 
HETATM 2231 O  O   . HOH   F 4 .   ? -45.217 4.666  15.347  1.000 44.293  0 375 HOH   B O   1 ? 
HETATM 2232 O  O   . HOH   F 4 .   ? -49.719 4.241  6.519   1.000 38.312  0 376 HOH   B O   1 ? 
HETATM 2233 O  O   . HOH   F 4 .   ? -29.130 18.243 0.530   1.000 13.674  0 377 HOH   B O   1 ? 
HETATM 2234 O  O   . HOH   F 4 .   ? -47.937 3.813  11.862  1.000 28.879  0 378 HOH   B O   1 ? 
HETATM 2235 O  O   . HOH   F 4 .   ? -31.117 12.592 8.433   1.000 17.365  0 379 HOH   B O   1 ? 
HETATM 2236 O  O   A HOH   F 4 .   ? -40.641 21.482 2.289   0.500 10.998  0 380 HOH   B O   1 ? 
HETATM 2237 O  O   B HOH   F 4 .   ? -41.400 22.408 2.558   0.500 18.841  0 380 HOH   B O   1 ? 
HETATM 2238 O  O   . HOH   F 4 .   ? -27.387 23.429 -3.429  1.000 23.472  0 381 HOH   B O   1 ? 
HETATM 2239 O  O   . HOH   F 4 .   ? -53.763 24.460 16.844  1.000 35.854  0 382 HOH   B O   1 ? 
HETATM 2240 O  O   . HOH   F 4 .   ? -25.130 16.659 0.535   1.000 25.022  0 383 HOH   B O   1 ? 
HETATM 2241 O  O   . HOH   F 4 .   ? -38.094 22.202 3.362   1.000 16.445  0 384 HOH   B O   1 ? 
HETATM 2242 O  O   . HOH   F 4 .   ? -49.992 26.777 16.433  1.000 27.497  0 385 HOH   B O   1 ? 
HETATM 2243 O  O   . HOH   F 4 .   ? -47.189 20.885 5.394   0.700 26.938  0 386 HOH   B O   1 ? 
HETATM 2244 O  O   . HOH   F 4 .   ? -31.629 31.387 9.041   1.000 29.177  0 387 HOH   B O   1 ? 
HETATM 2245 O  O   . HOH   F 4 .   ? -26.601 23.969 2.231   1.000 30.683  0 388 HOH   B O   1 ? 
HETATM 2246 O  O   . HOH   F 4 .   ? -38.508 12.395 -16.051 1.000 17.463  0 389 HOH   B O   1 ? 
HETATM 2247 O  O   . HOH   F 4 .   ? -30.238 25.670 -1.062  1.000 21.355  0 390 HOH   B O   1 ? 
HETATM 2248 O  O   . HOH   F 4 .   ? -40.376 0.588  -4.607  1.000 29.122  0 391 HOH   B O   1 ? 
HETATM 2249 O  O   . HOH   F 4 .   ? -44.177 20.262 4.977   1.000 40.571  0 392 HOH   B O   1 ? 
HETATM 2250 O  O   . HOH   F 4 .   ? -26.989 34.929 8.995   1.000 32.398  0 393 HOH   B O   1 ? 
HETATM 2251 O  O   . HOH   F 4 .   ? -32.846 18.624 -13.797 0.700 19.540  0 394 HOH   B O   1 ? 
HETATM 2252 O  O   . HOH   F 4 .   ? -44.143 17.681 4.765   1.000 17.569  0 395 HOH   B O   1 ? 
HETATM 2253 O  O   . HOH   F 4 .   ? -52.106 22.301 -7.562  1.000 19.565  0 396 HOH   B O   1 ? 
HETATM 2254 O  O   . HOH   F 4 .   ? -36.023 16.789 -15.923 1.000 32.451  0 397 HOH   B O   1 ? 
HETATM 2255 O  O   . HOH   F 4 .   ? -44.270 18.929 19.753  1.000 29.297  0 398 HOH   B O   1 ? 
HETATM 2256 O  O   . HOH   F 4 .   ? -31.213 7.689  -9.093  1.000 19.409  0 399 HOH   B O   1 ? 
HETATM 2257 O  O   . HOH   F 4 .   ? -29.669 12.727 6.188   1.000 35.475  0 400 HOH   B O   1 ? 
HETATM 2258 O  O   . HOH   F 4 .   ? -47.454 4.411  -3.277  1.000 42.682  0 401 HOH   B O   1 ? 
HETATM 2259 O  O   . HOH   F 4 .   ? -25.254 32.223 5.772   1.000 31.295  0 402 HOH   B O   1 ? 
HETATM 2260 O  O   . HOH   F 4 .   ? -50.470 14.473 4.898   1.000 31.993  0 403 HOH   B O   1 ? 
HETATM 2261 O  O   A HOH   F 4 .   ? -27.974 21.061 3.604   0.500 10.418  0 404 HOH   B O   1 ? 
HETATM 2262 O  O   B HOH   F 4 .   ? -26.683 21.491 2.044   0.500 25.536  0 404 HOH   B O   1 ? 
HETATM 2263 O  O   . HOH   F 4 .   ? -47.775 2.953  3.292   1.000 36.536  0 405 HOH   B O   1 ? 
HETATM 2264 O  O   . HOH   F 4 .   ? -27.561 26.640 5.652   1.000 17.646  0 406 HOH   B O   1 ? 
HETATM 2265 O  O   . HOH   F 4 .   ? -35.756 2.201  4.713   1.000 41.901  0 407 HOH   B O   1 ? 
HETATM 2266 O  O   . HOH   F 4 .   ? -25.212 16.298 -3.334  1.000 24.652  0 408 HOH   B O   1 ? 
HETATM 2267 O  O   . HOH   F 4 .   ? -26.163 9.207  2.163   1.000 21.050  0 409 HOH   B O   1 ? 
HETATM 2268 O  O   A HOH   F 4 .   ? -39.054 25.787 10.198  0.700 20.782  0 410 HOH   B O   1 ? 
HETATM 2269 O  O   B HOH   F 4 .   ? -38.213 27.584 9.289   0.300 19.848  0 410 HOH   B O   1 ? 
HETATM 2270 O  O   . HOH   F 4 .   ? -50.634 13.596 7.325   1.000 24.146  0 411 HOH   B O   1 ? 
HETATM 2271 O  O   . HOH   F 4 .   ? -31.109 29.014 -0.218  1.000 32.853  0 412 HOH   B O   1 ? 
HETATM 2272 O  O   . HOH   F 4 .   ? -34.446 4.875  -1.178  1.000 19.836  0 413 HOH   B O   1 ? 
HETATM 2273 O  O   . HOH   F 4 .   ? -48.851 14.295 0.414   1.000 25.695  0 414 HOH   B O   1 ? 
HETATM 2274 O  O   . HOH   F 4 .   ? -53.625 13.919 13.434  1.000 19.829  0 415 HOH   B O   1 ? 
HETATM 2275 O  O   . HOH   F 4 .   ? -27.175 26.052 -4.361  1.000 25.008  0 416 HOH   B O   1 ? 
HETATM 2276 O  O   . HOH   F 4 .   ? -27.061 24.754 0.193   1.000 33.341  0 417 HOH   B O   1 ? 
HETATM 2277 O  O   . HOH   F 4 .   ? -25.675 17.595 -7.937  1.000 40.677  0 418 HOH   B O   1 ? 
HETATM 2278 O  O   . HOH   F 4 .   ? -37.075 13.611 18.976  1.000 38.063  0 419 HOH   B O   1 ? 
HETATM 2279 O  O   . HOH   F 4 .   ? -31.943 12.332 -15.258 1.000 43.284  0 420 HOH   B O   1 ? 
HETATM 2280 O  O   . HOH   F 4 .   ? -57.488 14.815 19.467  1.000 39.007  0 421 HOH   B O   1 ? 
HETATM 2281 O  O   . HOH   F 4 .   ? -34.003 11.204 15.080  1.000 27.744  0 422 HOH   B O   1 ? 
HETATM 2282 O  O   . HOH   F 4 .   ? -32.313 9.077  15.972  1.000 30.601  0 423 HOH   B O   1 ? 
HETATM 2283 O  O   . HOH   F 4 .   ? -52.075 26.339 18.075  1.000 30.781  0 424 HOH   B O   1 ? 
HETATM 2284 O  O   . HOH   F 4 .   ? -38.190 25.650 -12.472 1.000 30.764  0 425 HOH   B O   1 ? 
HETATM 2285 O  O   . HOH   F 4 .   ? -47.521 19.256 24.782  1.000 53.515  0 426 HOH   B O   1 ? 
HETATM 2286 O  O   . HOH   F 4 .   ? -37.664 26.246 -1.506  1.000 37.372  0 427 HOH   B O   1 ? 
HETATM 2287 O  O   . HOH   F 4 .   ? -42.405 23.592 -5.077  1.000 22.725  0 428 HOH   B O   1 ? 
HETATM 2288 O  O   . HOH   F 4 .   ? -35.875 27.743 -2.714  1.000 32.381  0 429 HOH   B O   1 ? 
HETATM 2289 O  O   . HOH   F 4 .   ? -46.493 0.850  4.498   1.000 42.680  0 430 HOH   B O   1 ? 
HETATM 2290 O  O   . HOH   F 4 .   ? -26.405 5.410  -2.326  1.000 28.726  0 431 HOH   B O   1 ? 
HETATM 2291 O  O   . HOH   F 4 .   ? -49.256 25.598 -4.329  1.000 48.244  0 432 HOH   B O   1 ? 
HETATM 2292 O  O   . HOH   F 4 .   ? -41.636 25.557 -3.527  1.000 35.586  0 433 HOH   B O   1 ? 
HETATM 2293 O  O   . HOH   F 4 .   ? -25.008 18.340 -1.326  1.000 24.269  0 434 HOH   B O   1 ? 
HETATM 2294 O  O   . HOH   F 4 .   ? -50.310 20.126 0.000   0.500 34.245  0 435 HOH   B O   1 ? 
HETATM 2295 O  O   A HOH   F 4 .   ? -29.637 5.069  5.455   0.500 15.982  0 436 HOH   B O   1 ? 
HETATM 2296 O  O   B HOH   F 4 .   ? -29.212 6.494  6.228   0.500 28.086  0 436 HOH   B O   1 ? 
HETATM 2297 O  O   . HOH   F 4 .   ? -34.191 8.931  -17.172 1.000 24.798  0 437 HOH   B O   1 ? 
HETATM 2298 O  O   . HOH   F 4 .   ? -52.982 17.989 23.379  1.000 34.552  0 438 HOH   B O   1 ? 
HETATM 2299 O  O   . HOH   F 4 .   ? -30.878 33.343 5.057   1.000 40.489  0 439 HOH   B O   1 ? 
HETATM 2300 O  O   . HOH   F 4 .   ? -27.990 28.181 9.575   1.000 33.478  0 440 HOH   B O   1 ? 
HETATM 2301 O  O   . HOH   F 4 .   ? -25.762 25.000 4.447   1.000 23.561  0 441 HOH   B O   1 ? 
HETATM 2302 O  O   . HOH   F 4 .   ? -29.150 11.640 -14.453 1.000 27.101  0 442 HOH   B O   1 ? 
HETATM 2303 O  O   . HOH   F 4 .   ? -29.516 3.661  3.094   1.000 26.043  0 443 HOH   B O   1 ? 
HETATM 2304 O  O   . HOH   F 4 .   ? -47.580 11.868 -11.802 1.000 21.315  0 444 HOH   B O   1 ? 
HETATM 2305 O  O   . HOH   F 4 .   ? -39.167 24.783 -3.201  1.000 44.337  0 445 HOH   B O   1 ? 
HETATM 2306 O  O   . HOH   F 4 .   ? -27.644 20.855 6.308   1.000 19.455  0 446 HOH   B O   1 ? 
HETATM 2307 O  O   . HOH   F 4 .   ? -27.013 19.967 -0.198  1.000 18.143  0 447 HOH   B O   1 ? 
HETATM 2308 O  O   . HOH   F 4 .   ? -46.538 24.649 -3.083  1.000 33.152  0 448 HOH   B O   1 ? 
HETATM 2309 O  O   . HOH   F 4 .   ? -35.200 1.351  -2.757  1.000 21.009  0 449 HOH   B O   1 ? 
HETATM 2310 O  O   . HOH   F 4 .   ? -60.135 20.538 21.088  1.000 46.461  0 450 HOH   B O   1 ? 
HETATM 2311 O  O   . HOH   F 4 .   ? -34.744 5.053  -3.965  1.000 16.346  0 451 HOH   B O   1 ? 
HETATM 2312 O  O   . HOH   F 4 .   ? -27.761 3.237  1.364   1.000 28.243  0 452 HOH   B O   1 ? 
HETATM 2313 O  O   . HOH   F 4 .   ? -24.270 10.448 0.941   1.000 41.505  0 453 HOH   B O   1 ? 
HETATM 2314 O  O   . HOH   F 4 .   ? -36.297 14.158 -16.651 1.000 36.921  0 454 HOH   B O   1 ? 
HETATM 2315 O  O   . HOH   F 4 .   ? -37.027 26.937 1.800   1.000 36.332  0 455 HOH   B O   1 ? 
HETATM 2316 O  O   . HOH   F 4 .   ? -29.505 24.896 11.459  1.000 36.139  0 456 HOH   B O   1 ? 
HETATM 2317 O  O   . HOH   F 4 .   ? -33.303 14.685 -15.123 1.000 36.019  0 457 HOH   B O   1 ? 
HETATM 2318 O  O   . HOH   F 4 .   ? -44.216 -2.244 12.574  1.000 46.188  0 458 HOH   B O   1 ? 
HETATM 2319 O  O   . HOH   F 4 .   ? -52.721 4.631  11.918  1.000 43.641  0 459 HOH   B O   1 ? 
HETATM 2320 O  O   . HOH   F 4 .   ? -40.396 7.723  -15.662 1.000 35.436  0 460 HOH   B O   1 ? 
HETATM 2321 O  O   . HOH   F 4 .   ? -50.310 4.313  -0.000  0.500 44.497  0 461 HOH   B O   1 ? 
HETATM 2322 O  O   . HOH   F 4 .   ? -35.414 12.127 17.473  1.000 39.185  0 462 HOH   B O   1 ? 
HETATM 2323 O  O   . HOH   F 4 .   ? -26.526 22.277 -0.970  1.000 29.774  0 463 HOH   B O   1 ? 
HETATM 2324 O  O   A HOH   F 4 .   ? -47.600 -0.644 2.915   0.500 24.852  0 464 HOH   B O   1 ? 
HETATM 2325 O  O   B HOH   F 4 .   ? -48.142 -2.378 2.166   0.500 19.799  0 464 HOH   B O   1 ? 
HETATM 2326 O  O   . HOH   F 4 .   ? -50.987 16.201 24.632  1.000 47.164  0 465 HOH   B O   1 ? 
HETATM 2327 O  O   . HOH   F 4 .   ? -50.310 28.514 0.000   0.500 45.187  0 466 HOH   B O   1 ? 
# 
