data_9G0U
# 
_entry.id   9G0U 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9G0U         pdb_00009g0u 10.2210/pdb9g0u/pdb 
WWPDB D_1292140097 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-02-26 ? 
2 'Structure model' 1 1 2025-03-05 ? 
# 
_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_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
_pdbx_audit_revision_category.ordinal             1 
_pdbx_audit_revision_category.revision_ordinal    2 
_pdbx_audit_revision_category.data_content_type   'Structure model' 
_pdbx_audit_revision_category.category            citation 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume' 
2 2 'Structure model' '_citation.page_first'     
3 2 'Structure model' '_citation.page_last'      
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9G0U 
_pdbx_database_status.recvd_initial_deposition_date   2024-07-08 
_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 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              honnappa.srinivas@novartis.com 
_pdbx_contact_author.name_first         Honnappa 
_pdbx_contact_author.name_last          Srinivas 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-5171-4236 
# 
_audit_author.name               'Srinivas, H.' 
_audit_author.pdbx_ordinal       1 
_audit_author.identifier_ORCID   0000-0002-5171-4236 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            J.Med.Chem. 
_citation.journal_id_ASTM           JMCMAR 
_citation.journal_id_CSD            0151 
_citation.journal_id_ISSN           0022-2623 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            68 
_citation.language                  ? 
_citation.page_first                4721 
_citation.page_last                 4742 
_citation.title                     'Discovery of GJG057, a Potent and Highly Selective Inhibitor of Leukotriene C4 Synthase.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acs.jmedchem.4c02897 
_citation.pdbx_database_id_PubMed   39960261 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Thoma, G.'         1  0000-0003-0467-331X 
primary 'Miltz, W.'         2  ?                   
primary 'Waelchli, R.'      3  ?                   
primary 'Orain, D.'         4  ?                   
primary 'Spanka, C.'        5  0000-0003-0365-204X 
primary 'Decoret, O.'       6  ?                   
primary 'Wolf, R.M.'        7  ?                   
primary 'Hurley, B.'        8  0000-0002-2436-8390 
primary 'Cheung, A.K.'      9  0000-0002-2210-6362 
primary 'Sandham, D.A.'     10 0000-0003-4523-9931 
primary 'Honda, A.'         11 ?                   
primary 'Tichkule, R.'      12 ?                   
primary 'Chen, X.'          13 0000-0002-0930-0750 
primary 'Patel, T.'         14 ?                   
primary 'Labbe-Giguere, N.' 15 ?                   
primary 'Tan, K.L.'         16 0000-0001-8243-1223 
primary 'Springer, C.'      17 ?                   
primary 'Manchester, J.'    18 ?                   
primary 'Culshaw, A.J.'     19 ?                   
primary 'Hunt, P.'          20 ?                   
primary 'Srinivas, H.'      21 ?                   
primary 'Penno, C.A.'       22 ?                   
primary 'Ferrand, S.'       23 ?                   
primary 'Numao, S.'         24 0000-0002-6204-7117 
primary 'Schopfer, U.'      25 ?                   
primary 'Jager, P.'         26 ?                   
primary 'Wack, N.'          27 ?                   
primary 'Hasler, F.'        28 ?                   
primary 'Urban, B.'         29 ?                   
primary 'Sindelar, M.'      30 ?                   
primary 'Loetscher, P.'     31 ?                   
primary 'Kiffe, M.'         32 ?                   
primary 'Ren, X.'           33 ?                   
primary 'Nicklin, P.'       34 ?                   
primary 'White, K.'         35 ?                   
primary 'Subramanian, K.'   36 ?                   
primary 'Liu, H.'           37 ?                   
primary 'Growcott, E.J.'    38 ?                   
primary 'Rohn, T.A.'        39 ?                   
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Leukotriene C4 synthase' 17468.596 1  4.4.1.20,2.5.1.- ? ? ? 
2 non-polymer syn 'SULFATE ION' 96.063    1  ?                ? ? ? 
3 non-polymer syn 'PALMITIC ACID' 256.424   10 ?                ? ? ? 
4 non-polymer syn 'PALMITOLEIC ACID' 254.408   8  ?                ? ? ? 
5 non-polymer syn DODECYL-BETA-D-MALTOSIDE 510.615   1  ?                ? ? ? 
6 non-polymer syn 
;(1~{S},2~{S})-2-[5-[[5-chloranyl-2,4-bis(fluoranyl)phenyl]-(2-fluoranyl-2-methyl-propyl)amino]-3-methoxy-pyrazin-2-yl]carbonylcyclopropane-1-carboxylic acid
;
457.831   1  ?                ? ? ? 
7 water       nat water 18.015    26 ?                ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'LTC4 synthase,Glutathione S-transferase LTC4,Leukotriene-C(4) synthase,Leukotriene-C4 synthase' 
# 
_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       
;MHHHHHHGKDEVALLAAVTLLGVLLQAYFSLQVISARRAFRVSPPLTTGPPEFERVYRAQVNCSEYFPLFLATLWVAGIF
FHEGAAALCGLVYLFARLRYFQGYARSAQLRLAPLYASARALWLLVALAALGLLAHFLPAALRAALLGRLRTLLPWA
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHGKDEVALLAAVTLLGVLLQAYFSLQVISARRAFRVSPPLTTGPPEFERVYRAQVNCSEYFPLFLATLWVAGIF
FHEGAAALCGLVYLFARLRYFQGYARSAQLRLAPLYASARALWLLVALAALGLLAHFLPAALRAALLGRLRTLLPWA
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'SULFATE ION' SO4   
3 'PALMITIC ACID' PLM   
4 'PALMITOLEIC ACID' PAM   
5 DODECYL-BETA-D-MALTOSIDE LMT   
6 
;(1~{S},2~{S})-2-[5-[[5-chloranyl-2,4-bis(fluoranyl)phenyl]-(2-fluoranyl-2-methyl-propyl)amino]-3-methoxy-pyrazin-2-yl]carbonylcyclopropane-1-carboxylic acid
;
A1IHJ 
7 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   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   GLY n 
1 9   LYS n 
1 10  ASP n 
1 11  GLU n 
1 12  VAL n 
1 13  ALA n 
1 14  LEU n 
1 15  LEU n 
1 16  ALA n 
1 17  ALA n 
1 18  VAL n 
1 19  THR n 
1 20  LEU n 
1 21  LEU n 
1 22  GLY n 
1 23  VAL n 
1 24  LEU n 
1 25  LEU n 
1 26  GLN n 
1 27  ALA n 
1 28  TYR n 
1 29  PHE n 
1 30  SER n 
1 31  LEU n 
1 32  GLN n 
1 33  VAL n 
1 34  ILE n 
1 35  SER n 
1 36  ALA n 
1 37  ARG n 
1 38  ARG n 
1 39  ALA n 
1 40  PHE n 
1 41  ARG n 
1 42  VAL n 
1 43  SER n 
1 44  PRO n 
1 45  PRO n 
1 46  LEU n 
1 47  THR n 
1 48  THR n 
1 49  GLY n 
1 50  PRO n 
1 51  PRO n 
1 52  GLU n 
1 53  PHE n 
1 54  GLU n 
1 55  ARG n 
1 56  VAL n 
1 57  TYR n 
1 58  ARG n 
1 59  ALA n 
1 60  GLN n 
1 61  VAL n 
1 62  ASN n 
1 63  CYS n 
1 64  SER n 
1 65  GLU n 
1 66  TYR n 
1 67  PHE n 
1 68  PRO n 
1 69  LEU n 
1 70  PHE n 
1 71  LEU n 
1 72  ALA n 
1 73  THR n 
1 74  LEU n 
1 75  TRP n 
1 76  VAL n 
1 77  ALA n 
1 78  GLY n 
1 79  ILE n 
1 80  PHE n 
1 81  PHE n 
1 82  HIS n 
1 83  GLU n 
1 84  GLY n 
1 85  ALA n 
1 86  ALA n 
1 87  ALA n 
1 88  LEU n 
1 89  CYS n 
1 90  GLY n 
1 91  LEU n 
1 92  VAL n 
1 93  TYR n 
1 94  LEU n 
1 95  PHE n 
1 96  ALA n 
1 97  ARG n 
1 98  LEU n 
1 99  ARG n 
1 100 TYR n 
1 101 PHE n 
1 102 GLN n 
1 103 GLY n 
1 104 TYR n 
1 105 ALA n 
1 106 ARG n 
1 107 SER n 
1 108 ALA n 
1 109 GLN n 
1 110 LEU n 
1 111 ARG n 
1 112 LEU n 
1 113 ALA n 
1 114 PRO n 
1 115 LEU n 
1 116 TYR n 
1 117 ALA n 
1 118 SER n 
1 119 ALA n 
1 120 ARG n 
1 121 ALA n 
1 122 LEU n 
1 123 TRP n 
1 124 LEU n 
1 125 LEU n 
1 126 VAL n 
1 127 ALA n 
1 128 LEU n 
1 129 ALA n 
1 130 ALA n 
1 131 LEU n 
1 132 GLY n 
1 133 LEU n 
1 134 LEU n 
1 135 ALA n 
1 136 HIS n 
1 137 PHE n 
1 138 LEU n 
1 139 PRO n 
1 140 ALA n 
1 141 ALA n 
1 142 LEU n 
1 143 ARG n 
1 144 ALA n 
1 145 ALA n 
1 146 LEU n 
1 147 LEU n 
1 148 GLY n 
1 149 ARG n 
1 150 LEU n 
1 151 ARG n 
1 152 THR n 
1 153 LEU n 
1 154 LEU n 
1 155 PRO n 
1 156 TRP n 
1 157 ALA n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   157 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 LTC4S 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      Pichia 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     4919 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1IHJ non-polymer         . 
;(1~{S},2~{S})-2-[5-[[5-chloranyl-2,4-bis(fluoranyl)phenyl]-(2-fluoranyl-2-methyl-propyl)amino]-3-methoxy-pyrazin-2-yl]carbonylcyclopropane-1-carboxylic acid
;
? 'C20 H19 Cl F3 N3 O4' 457.831 
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 
LMT   D-saccharide        . DODECYL-BETA-D-MALTOSIDE ? 'C24 H46 O11'         510.615 
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 
PAM   non-polymer         . 'PALMITOLEIC ACID' ? 'C16 H30 O2'          254.408 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'         165.189 
PLM   non-polymer         . 'PALMITIC ACID' ? 'C16 H32 O2'          256.424 
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 
TRP   'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'       204.225 
TYR   'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'         181.189 
VAL   'L-peptide linking' y VALINE ? 'C5 H11 N O2'         117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   -6  ?   ?   ?   A . n 
A 1 2   HIS 2   -5  ?   ?   ?   A . n 
A 1 3   HIS 3   -4  ?   ?   ?   A . n 
A 1 4   HIS 4   -3  ?   ?   ?   A . n 
A 1 5   HIS 5   -2  ?   ?   ?   A . n 
A 1 6   HIS 6   -1  ?   ?   ?   A . n 
A 1 7   HIS 7   0   ?   ?   ?   A . n 
A 1 8   GLY 8   1   1   GLY GLY A . n 
A 1 9   LYS 9   2   2   LYS LYS A . n 
A 1 10  ASP 10  3   3   ASP ASP A . n 
A 1 11  GLU 11  4   4   GLU GLU A . n 
A 1 12  VAL 12  5   5   VAL VAL A . n 
A 1 13  ALA 13  6   6   ALA ALA A . n 
A 1 14  LEU 14  7   7   LEU LEU A . n 
A 1 15  LEU 15  8   8   LEU LEU A . n 
A 1 16  ALA 16  9   9   ALA ALA A . n 
A 1 17  ALA 17  10  10  ALA ALA A . n 
A 1 18  VAL 18  11  11  VAL VAL A . n 
A 1 19  THR 19  12  12  THR THR A . n 
A 1 20  LEU 20  13  13  LEU LEU A . n 
A 1 21  LEU 21  14  14  LEU LEU A . n 
A 1 22  GLY 22  15  15  GLY GLY A . n 
A 1 23  VAL 23  16  16  VAL VAL A . n 
A 1 24  LEU 24  17  17  LEU LEU A . n 
A 1 25  LEU 25  18  18  LEU LEU A . n 
A 1 26  GLN 26  19  19  GLN GLN A . n 
A 1 27  ALA 27  20  20  ALA ALA A . n 
A 1 28  TYR 28  21  21  TYR TYR A . n 
A 1 29  PHE 29  22  22  PHE PHE A . n 
A 1 30  SER 30  23  23  SER SER A . n 
A 1 31  LEU 31  24  24  LEU LEU A . n 
A 1 32  GLN 32  25  25  GLN GLN A . n 
A 1 33  VAL 33  26  26  VAL VAL A . n 
A 1 34  ILE 34  27  27  ILE ILE A . n 
A 1 35  SER 35  28  28  SER SER A . n 
A 1 36  ALA 36  29  29  ALA ALA A . n 
A 1 37  ARG 37  30  30  ARG ARG A . n 
A 1 38  ARG 38  31  31  ARG ARG A . n 
A 1 39  ALA 39  32  32  ALA ALA A . n 
A 1 40  PHE 40  33  33  PHE PHE A . n 
A 1 41  ARG 41  34  34  ARG ARG A . n 
A 1 42  VAL 42  35  35  VAL VAL A . n 
A 1 43  SER 43  36  36  SER SER A . n 
A 1 44  PRO 44  37  37  PRO PRO A . n 
A 1 45  PRO 45  38  38  PRO PRO A . n 
A 1 46  LEU 46  39  39  LEU LEU A . n 
A 1 47  THR 47  40  40  THR THR A . n 
A 1 48  THR 48  41  41  THR THR A . n 
A 1 49  GLY 49  42  42  GLY GLY A . n 
A 1 50  PRO 50  43  43  PRO PRO A . n 
A 1 51  PRO 51  44  44  PRO PRO A . n 
A 1 52  GLU 52  45  45  GLU GLU A . n 
A 1 53  PHE 53  46  46  PHE PHE A . n 
A 1 54  GLU 54  47  47  GLU GLU A . n 
A 1 55  ARG 55  48  48  ARG ARG A . n 
A 1 56  VAL 56  49  49  VAL VAL A . n 
A 1 57  TYR 57  50  50  TYR TYR A . n 
A 1 58  ARG 58  51  51  ARG ARG A . n 
A 1 59  ALA 59  52  52  ALA ALA A . n 
A 1 60  GLN 60  53  53  GLN GLN A . n 
A 1 61  VAL 61  54  54  VAL VAL A . n 
A 1 62  ASN 62  55  55  ASN ASN A . n 
A 1 63  CYS 63  56  56  CYS CYS A . n 
A 1 64  SER 64  57  57  SER SER A . n 
A 1 65  GLU 65  58  58  GLU GLU A . n 
A 1 66  TYR 66  59  59  TYR TYR A . n 
A 1 67  PHE 67  60  60  PHE PHE A . n 
A 1 68  PRO 68  61  61  PRO PRO A . n 
A 1 69  LEU 69  62  62  LEU LEU A . n 
A 1 70  PHE 70  63  63  PHE PHE A . n 
A 1 71  LEU 71  64  64  LEU LEU A . n 
A 1 72  ALA 72  65  65  ALA ALA A . n 
A 1 73  THR 73  66  66  THR THR A . n 
A 1 74  LEU 74  67  67  LEU LEU A . n 
A 1 75  TRP 75  68  68  TRP TRP A . n 
A 1 76  VAL 76  69  69  VAL VAL A . n 
A 1 77  ALA 77  70  70  ALA ALA A . n 
A 1 78  GLY 78  71  71  GLY GLY A . n 
A 1 79  ILE 79  72  72  ILE ILE A . n 
A 1 80  PHE 80  73  73  PHE PHE A . n 
A 1 81  PHE 81  74  74  PHE PHE A . n 
A 1 82  HIS 82  75  75  HIS HIS A . n 
A 1 83  GLU 83  76  76  GLU GLU A . n 
A 1 84  GLY 84  77  77  GLY GLY A . n 
A 1 85  ALA 85  78  78  ALA ALA A . n 
A 1 86  ALA 86  79  79  ALA ALA A . n 
A 1 87  ALA 87  80  80  ALA ALA A . n 
A 1 88  LEU 88  81  81  LEU LEU A . n 
A 1 89  CYS 89  82  82  CYS CYS A . n 
A 1 90  GLY 90  83  83  GLY GLY A . n 
A 1 91  LEU 91  84  84  LEU LEU A . n 
A 1 92  VAL 92  85  85  VAL VAL A . n 
A 1 93  TYR 93  86  86  TYR TYR A . n 
A 1 94  LEU 94  87  87  LEU LEU A . n 
A 1 95  PHE 95  88  88  PHE PHE A . n 
A 1 96  ALA 96  89  89  ALA ALA A . n 
A 1 97  ARG 97  90  90  ARG ARG A . n 
A 1 98  LEU 98  91  91  LEU LEU A . n 
A 1 99  ARG 99  92  92  ARG ARG A . n 
A 1 100 TYR 100 93  93  TYR TYR A . n 
A 1 101 PHE 101 94  94  PHE PHE A . n 
A 1 102 GLN 102 95  95  GLN GLN A . n 
A 1 103 GLY 103 96  96  GLY GLY A . n 
A 1 104 TYR 104 97  97  TYR TYR A . n 
A 1 105 ALA 105 98  98  ALA ALA A . n 
A 1 106 ARG 106 99  99  ARG ARG A . n 
A 1 107 SER 107 100 100 SER SER A . n 
A 1 108 ALA 108 101 101 ALA ALA A . n 
A 1 109 GLN 109 102 102 GLN GLN A . n 
A 1 110 LEU 110 103 103 LEU LEU A . n 
A 1 111 ARG 111 104 104 ARG ARG A . n 
A 1 112 LEU 112 105 105 LEU LEU A . n 
A 1 113 ALA 113 106 106 ALA ALA A . n 
A 1 114 PRO 114 107 107 PRO PRO A . n 
A 1 115 LEU 115 108 108 LEU LEU A . n 
A 1 116 TYR 116 109 109 TYR TYR A . n 
A 1 117 ALA 117 110 110 ALA ALA A . n 
A 1 118 SER 118 111 111 SER SER A . n 
A 1 119 ALA 119 112 112 ALA ALA A . n 
A 1 120 ARG 120 113 113 ARG ARG A . n 
A 1 121 ALA 121 114 114 ALA ALA A . n 
A 1 122 LEU 122 115 115 LEU LEU A . n 
A 1 123 TRP 123 116 116 TRP TRP A . n 
A 1 124 LEU 124 117 117 LEU LEU A . n 
A 1 125 LEU 125 118 118 LEU LEU A . n 
A 1 126 VAL 126 119 119 VAL VAL A . n 
A 1 127 ALA 127 120 120 ALA ALA A . n 
A 1 128 LEU 128 121 121 LEU LEU A . n 
A 1 129 ALA 129 122 122 ALA ALA A . n 
A 1 130 ALA 130 123 123 ALA ALA A . n 
A 1 131 LEU 131 124 124 LEU LEU A . n 
A 1 132 GLY 132 125 125 GLY GLY A . n 
A 1 133 LEU 133 126 126 LEU LEU A . n 
A 1 134 LEU 134 127 127 LEU LEU A . n 
A 1 135 ALA 135 128 128 ALA ALA A . n 
A 1 136 HIS 136 129 129 HIS HIS A . n 
A 1 137 PHE 137 130 130 PHE PHE A . n 
A 1 138 LEU 138 131 131 LEU LEU A . n 
A 1 139 PRO 139 132 132 PRO PRO A . n 
A 1 140 ALA 140 133 133 ALA ALA A . n 
A 1 141 ALA 141 134 134 ALA ALA A . n 
A 1 142 LEU 142 135 135 LEU LEU A . n 
A 1 143 ARG 143 136 136 ARG ARG A . n 
A 1 144 ALA 144 137 137 ALA ALA A . n 
A 1 145 ALA 145 138 138 ALA ALA A . n 
A 1 146 LEU 146 139 139 LEU LEU A . n 
A 1 147 LEU 147 140 140 LEU LEU A . n 
A 1 148 GLY 148 141 141 GLY GLY A . n 
A 1 149 ARG 149 142 142 ARG ARG A . n 
A 1 150 LEU 150 143 143 LEU LEU A . n 
A 1 151 ARG 151 144 144 ARG ARG A . n 
A 1 152 THR 152 145 145 THR THR A . n 
A 1 153 LEU 153 146 146 LEU LEU A . n 
A 1 154 LEU 154 147 147 LEU LEU A . n 
A 1 155 PRO 155 148 148 PRO PRO A . n 
A 1 156 TRP 156 149 149 TRP TRP A . n 
A 1 157 ALA 157 150 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1IHJ 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IHJ 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 SO4   1  201 897  SO4   SO4 A . 
C 3 PLM   1  202 900  PLM   PLM A . 
D 4 PAM   1  203 903  PAM   PAM A . 
E 3 PLM   1  204 905  PLM   PLM A . 
F 3 PLM   1  205 906  PLM   PLM A . 
G 3 PLM   1  206 907  PLM   PLM A . 
H 3 PLM   1  207 908  PLM   PLM A . 
I 3 PLM   1  208 909  PLM   PLM A . 
J 4 PAM   1  209 911  PAM   PAM A . 
K 4 PAM   1  210 912  PAM   PAM A . 
L 4 PAM   1  211 913  PAM   PAM A . 
M 4 PAM   1  212 914  PAM   PAM A . 
N 4 PAM   1  213 915  PAM   PAM A . 
O 3 PLM   1  214 916  PLM   PLM A . 
P 3 PLM   1  215 918  PLM   PLM A . 
Q 3 PLM   1  216 919  PLM   PLM A . 
R 5 LMT   1  217 1001 LMT   LMT A . 
S 4 PAM   1  218 1002 PAM   PAM A . 
T 4 PAM   1  219 1003 PAM   PAM A . 
U 3 PLM   1  220 1154 PLM   PLM A . 
V 6 A1IHJ 1  221 1    A1IHJ LI1 A . 
W 7 HOH   1  301 82   HOH   HOH A . 
W 7 HOH   2  302 22   HOH   HOH A . 
W 7 HOH   3  303 46   HOH   HOH A . 
W 7 HOH   4  304 35   HOH   HOH A . 
W 7 HOH   5  305 54   HOH   HOH A . 
W 7 HOH   6  306 5    HOH   HOH A . 
W 7 HOH   7  307 39   HOH   HOH A . 
W 7 HOH   8  308 66   HOH   HOH A . 
W 7 HOH   9  309 29   HOH   HOH A . 
W 7 HOH   10 310 9    HOH   HOH A . 
W 7 HOH   11 311 78   HOH   HOH A . 
W 7 HOH   12 312 43   HOH   HOH A . 
W 7 HOH   13 313 12   HOH   HOH A . 
W 7 HOH   14 314 6    HOH   HOH A . 
W 7 HOH   15 315 33   HOH   HOH A . 
W 7 HOH   16 316 10   HOH   HOH A . 
W 7 HOH   17 317 15   HOH   HOH A . 
W 7 HOH   18 318 32   HOH   HOH A . 
W 7 HOH   19 319 25   HOH   HOH A . 
W 7 HOH   20 320 14   HOH   HOH A . 
W 7 HOH   21 321 34   HOH   HOH A . 
W 7 HOH   22 322 57   HOH   HOH A . 
W 7 HOH   23 323 55   HOH   HOH A . 
W 7 HOH   24 324 28   HOH   HOH A . 
W 7 HOH   25 325 48   HOH   HOH A . 
W 7 HOH   26 326 47   HOH   HOH A . 
# 
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 N 1 A PLM 202 ? CB  ? C PLM 1 CB  
2   1 N 1 A PLM 202 ? CC  ? C PLM 1 CC  
3   1 N 1 A PLM 202 ? CD  ? C PLM 1 CD  
4   1 N 1 A PLM 202 ? CE  ? C PLM 1 CE  
5   1 N 1 A PLM 202 ? CF  ? C PLM 1 CF  
6   1 N 1 A PLM 202 ? CG  ? C PLM 1 CG  
7   1 N 1 A PAM 203 ? C13 ? D PAM 1 C13 
8   1 N 1 A PAM 203 ? C14 ? D PAM 1 C14 
9   1 N 1 A PAM 203 ? C15 ? D PAM 1 C15 
10  1 N 1 A PAM 203 ? C16 ? D PAM 1 C16 
11  1 N 1 A PLM 204 ? C1  ? E PLM 1 C1  
12  1 N 1 A PLM 204 ? O1  ? E PLM 1 O1  
13  1 N 1 A PLM 204 ? O2  ? E PLM 1 O2  
14  1 N 1 A PLM 204 ? C2  ? E PLM 1 C2  
15  1 N 1 A PLM 204 ? C3  ? E PLM 1 C3  
16  1 N 1 A PLM 204 ? C4  ? E PLM 1 C4  
17  1 N 1 A PLM 204 ? C5  ? E PLM 1 C5  
18  1 N 1 A PLM 204 ? C6  ? E PLM 1 C6  
19  1 N 1 A PLM 204 ? C7  ? E PLM 1 C7  
20  1 N 1 A PLM 204 ? CG  ? E PLM 1 CG  
21  1 N 1 A PLM 205 ? C1  ? F PLM 1 C1  
22  1 N 1 A PLM 205 ? O1  ? F PLM 1 O1  
23  1 N 1 A PLM 205 ? O2  ? F PLM 1 O2  
24  1 N 1 A PLM 205 ? C2  ? F PLM 1 C2  
25  1 N 1 A PLM 205 ? C3  ? F PLM 1 C3  
26  1 N 1 A PLM 205 ? C4  ? F PLM 1 C4  
27  1 N 1 A PLM 205 ? C5  ? F PLM 1 C5  
28  1 N 1 A PLM 205 ? C6  ? F PLM 1 C6  
29  1 N 1 A PLM 206 ? C1  ? G PLM 1 C1  
30  1 N 1 A PLM 206 ? O1  ? G PLM 1 O1  
31  1 N 1 A PLM 206 ? O2  ? G PLM 1 O2  
32  1 N 1 A PLM 206 ? C2  ? G PLM 1 C2  
33  1 N 1 A PLM 206 ? C3  ? G PLM 1 C3  
34  1 N 1 A PLM 206 ? C4  ? G PLM 1 C4  
35  1 N 1 A PLM 206 ? C5  ? G PLM 1 C5  
36  1 N 1 A PLM 206 ? C6  ? G PLM 1 C6  
37  1 N 1 A PLM 206 ? C7  ? G PLM 1 C7  
38  1 N 1 A PLM 206 ? C8  ? G PLM 1 C8  
39  1 N 1 A PLM 206 ? C9  ? G PLM 1 C9  
40  1 N 1 A PLM 207 ? C1  ? H PLM 1 C1  
41  1 N 1 A PLM 207 ? O1  ? H PLM 1 O1  
42  1 N 1 A PLM 207 ? O2  ? H PLM 1 O2  
43  1 N 1 A PLM 207 ? C2  ? H PLM 1 C2  
44  1 N 1 A PLM 207 ? C3  ? H PLM 1 C3  
45  1 N 1 A PLM 207 ? C4  ? H PLM 1 C4  
46  1 N 1 A PLM 207 ? CC  ? H PLM 1 CC  
47  1 N 1 A PLM 207 ? CD  ? H PLM 1 CD  
48  1 N 1 A PLM 207 ? CE  ? H PLM 1 CE  
49  1 N 1 A PLM 207 ? CF  ? H PLM 1 CF  
50  1 N 1 A PLM 207 ? CG  ? H PLM 1 CG  
51  1 N 1 A PLM 208 ? C1  ? I PLM 1 C1  
52  1 N 1 A PLM 208 ? O1  ? I PLM 1 O1  
53  1 N 1 A PLM 208 ? O2  ? I PLM 1 O2  
54  1 N 1 A PLM 208 ? C2  ? I PLM 1 C2  
55  1 N 1 A PLM 208 ? C3  ? I PLM 1 C3  
56  1 N 1 A PLM 208 ? C4  ? I PLM 1 C4  
57  1 N 1 A PLM 208 ? C5  ? I PLM 1 C5  
58  1 N 1 A PAM 209 ? C1  ? J PAM 1 C1  
59  1 N 1 A PAM 209 ? O1  ? J PAM 1 O1  
60  1 N 1 A PAM 209 ? O2  ? J PAM 1 O2  
61  1 N 1 A PAM 209 ? C2  ? J PAM 1 C2  
62  1 N 1 A PAM 209 ? C3  ? J PAM 1 C3  
63  1 N 1 A PAM 209 ? C4  ? J PAM 1 C4  
64  1 N 1 A PAM 209 ? C5  ? J PAM 1 C5  
65  1 N 1 A PAM 209 ? C6  ? J PAM 1 C6  
66  1 N 1 A PAM 210 ? C1  ? K PAM 1 C1  
67  1 N 1 A PAM 210 ? O1  ? K PAM 1 O1  
68  1 N 1 A PAM 210 ? O2  ? K PAM 1 O2  
69  1 N 1 A PAM 210 ? C2  ? K PAM 1 C2  
70  1 N 1 A PAM 210 ? C3  ? K PAM 1 C3  
71  1 N 1 A PAM 210 ? C4  ? K PAM 1 C4  
72  1 N 1 A PAM 210 ? C5  ? K PAM 1 C5  
73  1 N 1 A PAM 210 ? C6  ? K PAM 1 C6  
74  1 N 1 A PAM 212 ? C1  ? M PAM 1 C1  
75  1 N 1 A PAM 212 ? O1  ? M PAM 1 O1  
76  1 N 1 A PAM 212 ? O2  ? M PAM 1 O2  
77  1 N 1 A PAM 212 ? C2  ? M PAM 1 C2  
78  1 N 1 A PAM 212 ? C3  ? M PAM 1 C3  
79  1 N 1 A PAM 212 ? C4  ? M PAM 1 C4  
80  1 N 1 A PAM 212 ? C5  ? M PAM 1 C5  
81  1 N 1 A PAM 212 ? C16 ? M PAM 1 C16 
82  1 N 1 A PAM 213 ? C1  ? N PAM 1 C1  
83  1 N 1 A PAM 213 ? O1  ? N PAM 1 O1  
84  1 N 1 A PAM 213 ? O2  ? N PAM 1 O2  
85  1 N 1 A PAM 213 ? C2  ? N PAM 1 C2  
86  1 N 1 A PAM 213 ? C3  ? N PAM 1 C3  
87  1 N 1 A PAM 213 ? C4  ? N PAM 1 C4  
88  1 N 1 A PAM 213 ? C5  ? N PAM 1 C5  
89  1 N 1 A PAM 213 ? C6  ? N PAM 1 C6  
90  1 N 1 A PAM 213 ? C13 ? N PAM 1 C13 
91  1 N 1 A PAM 213 ? C14 ? N PAM 1 C14 
92  1 N 1 A PAM 213 ? C15 ? N PAM 1 C15 
93  1 N 1 A PAM 213 ? C16 ? N PAM 1 C16 
94  1 N 1 A PLM 214 ? C8  ? O PLM 1 C8  
95  1 N 1 A PLM 214 ? C9  ? O PLM 1 C9  
96  1 N 1 A PLM 214 ? CA  ? O PLM 1 CA  
97  1 N 1 A PLM 214 ? CB  ? O PLM 1 CB  
98  1 N 1 A PLM 214 ? CC  ? O PLM 1 CC  
99  1 N 1 A PLM 214 ? CD  ? O PLM 1 CD  
100 1 N 1 A PLM 214 ? CE  ? O PLM 1 CE  
101 1 N 1 A PLM 214 ? CF  ? O PLM 1 CF  
102 1 N 1 A PLM 214 ? CG  ? O PLM 1 CG  
103 1 N 1 A PLM 215 ? C1  ? P PLM 1 C1  
104 1 N 1 A PLM 215 ? O1  ? P PLM 1 O1  
105 1 N 1 A PLM 215 ? O2  ? P PLM 1 O2  
106 1 N 1 A PLM 215 ? CA  ? P PLM 1 CA  
107 1 N 1 A PLM 215 ? CB  ? P PLM 1 CB  
108 1 N 1 A PLM 215 ? CC  ? P PLM 1 CC  
109 1 N 1 A PLM 215 ? CD  ? P PLM 1 CD  
110 1 N 1 A PLM 215 ? CE  ? P PLM 1 CE  
111 1 N 1 A PLM 215 ? CF  ? P PLM 1 CF  
112 1 N 1 A PLM 215 ? CG  ? P PLM 1 CG  
113 1 N 1 A PLM 216 ? C1  ? Q PLM 1 C1  
114 1 N 1 A PLM 216 ? O1  ? Q PLM 1 O1  
115 1 N 1 A PLM 216 ? O2  ? Q PLM 1 O2  
116 1 N 1 A PLM 216 ? C2  ? Q PLM 1 C2  
117 1 N 1 A PLM 216 ? C3  ? Q PLM 1 C3  
118 1 N 1 A PLM 216 ? C4  ? Q PLM 1 C4  
119 1 N 1 A PLM 216 ? C5  ? Q PLM 1 C5  
120 1 N 1 A PLM 216 ? C6  ? Q PLM 1 C6  
121 1 N 1 A PLM 216 ? C7  ? Q PLM 1 C7  
122 1 N 1 A PLM 216 ? C8  ? Q PLM 1 C8  
123 1 N 1 A PLM 216 ? CF  ? Q PLM 1 CF  
124 1 N 1 A PLM 216 ? CG  ? Q PLM 1 CG  
125 1 N 1 A PAM 218 ? C1  ? S PAM 1 C1  
126 1 N 1 A PAM 218 ? O1  ? S PAM 1 O1  
127 1 N 1 A PAM 218 ? O2  ? S PAM 1 O2  
128 1 N 1 A PAM 218 ? C2  ? S PAM 1 C2  
129 1 N 1 A PAM 218 ? C3  ? S PAM 1 C3  
130 1 N 1 A PAM 218 ? C4  ? S PAM 1 C4  
131 1 N 1 A PAM 218 ? C5  ? S PAM 1 C5  
132 1 N 1 A PAM 218 ? C6  ? S PAM 1 C6  
133 1 N 1 A PAM 218 ? C7  ? S PAM 1 C7  
134 1 N 1 A PAM 218 ? C8  ? S PAM 1 C8  
135 1 N 1 A PAM 218 ? C9  ? S PAM 1 C9  
136 1 N 1 A PLM 220 ? O1  ? U PLM 1 O1  
137 1 N 1 A PLM 220 ? O2  ? U PLM 1 O2  
138 1 N 1 A PLM 220 ? C9  ? U PLM 1 C9  
139 1 N 1 A PLM 220 ? CA  ? U PLM 1 CA  
140 1 N 1 A PLM 220 ? CB  ? U PLM 1 CB  
141 1 N 1 A PLM 220 ? CC  ? U PLM 1 CC  
142 1 N 1 A PLM 220 ? CD  ? U PLM 1 CD  
143 1 N 1 A PLM 220 ? CE  ? U PLM 1 CE  
144 1 N 1 A PLM 220 ? CF  ? U PLM 1 CF  
145 1 N 1 A PLM 220 ? CG  ? U PLM 1 CG  
# 
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       ? ? ? ? ? ? ? ? ? ? ? BUSTER ? ? ? 2.11.7 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? .      2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .      3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .      4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9G0U 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     177.590 
_cell.length_a_esd                 ? 
_cell.length_b                     177.590 
_cell.length_b_esd                 ? 
_cell.length_c                     177.590 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        48 
_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                         9G0U 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                196 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'F 2 3' 
_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                   9G0U 
_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             ? 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          ? 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '10 % PEG8000, LITHIUM SULPHATE  0.5M' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            294 
# 
_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         2017-03-18 
_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                        'SLS BEAMLINE X10SA' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.0 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   X10SA 
_diffrn_source.pdbx_synchrotron_site       SLS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9G0U 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.5 
_reflns.d_resolution_low                               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                                     16143 
_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                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                20 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          14.41 
_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                                0.198 
_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                              0.193 
_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                        ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_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 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
_reflns_shell.percent_possible_all 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_percent_possible_ellipsoidal 
_reflns_shell.pdbx_percent_possible_spherical 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous 
_reflns_shell.pdbx_percent_possible_spherical_anomalous 
_reflns_shell.pdbx_redundancy_anomalous 
_reflns_shell.pdbx_CC_half_anomalous 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous 
_reflns_shell.pdbx_percent_possible_anomalous 
2.50 2.57  ? ? ? ? ? ? 1178 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 1.0   ? ? 1  1 0.694 ? ? ? ? 1.8   ? ? ? ? ? ? ? ? ? 
2.57 2.64  ? ? ? ? ? ? 1136 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 1.0   ? ? 2  1 0.748 ? ? ? ? 1.622 ? ? ? ? ? ? ? ? ? 
2.64 2.71  ? ? ? ? ? ? 1140 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 1.0   ? ? 3  1 0.801 ? ? ? ? 1.376 ? ? ? ? ? ? ? ? ? 
2.71 2.8   ? ? ? ? ? ? 1111 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 1.129 ? ? 4  1 0.865 ? ? ? ? 1.099 ? ? ? ? ? ? ? ? ? 
2.80 2.89  ? ? ? ? ? ? 1026 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.98  ? ? 5  1 0.879 ? ? ? ? 0.955 ? ? ? ? ? ? ? ? ? 
2.89 2.99  ? ? ? ? ? ? 1054 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.751 ? ? 6  1 0.935 ? ? ? ? 0.733 ? ? ? ? ? ? ? ? ? 
2.99 3.1   ? ? ? ? ? ? 965  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.619 ? ? 7  1 0.955 ? ? ? ? 0.604 ? ? ? ? ? ? ? ? ? 
3.10 3.23  ? ? ? ? ? ? 971  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.52  ? ? 8  1 0.964 ? ? ? ? 0.508 ? ? ? ? ? ? ? ? ? 
3.23 3.37  ? ? ? ? ? ? 887  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.35  ? ? 9  1 0.982 ? ? ? ? 0.341 ? ? ? ? ? ? ? ? ? 
3.37 3.54  ? ? ? ? ? ? 886  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.292 ? ? 10 1 0.989 ? ? ? ? 0.285 ? ? ? ? ? ? ? ? ? 
3.54 3.73  ? ? ? ? ? ? 835  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.196 ? ? 11 1 0.995 ? ? ? ? 0.191 ? ? ? ? ? ? ? ? ? 
3.73 3.95  ? ? ? ? ? ? 809  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.147 ? ? 12 1 0.997 ? ? ? ? 0.144 ? ? ? ? ? ? ? ? ? 
3.95 4.23  ? ? ? ? ? ? 722  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.112 ? ? 13 1 0.998 ? ? ? ? 0.11  ? ? ? ? ? ? ? ? ? 
4.23 4.57  ? ? ? ? ? ? 699  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.089 ? ? 14 1 0.998 ? ? ? ? 0.087 ? ? ? ? ? ? ? ? ? 
4.57 5.0   ? ? ? ? ? ? 634  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.088 ? ? 15 1 0.998 ? ? ? ? 0.085 ? ? ? ? ? ? ? ? ? 
5.00 5.59  ? ? ? ? ? ? 597  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.101 ? ? 16 1 0.998 ? ? ? ? 0.098 ? ? ? ? ? ? ? ? ? 
5.59 6.46  ? ? ? ? ? ? 503  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.111 ? ? 17 1 0.998 ? ? ? ? 0.109 ? ? ? ? ? ? ? ? ? 
6.46 7.91  ? ? ? ? ? ? 449  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.078 ? ? 18 1 0.999 ? ? ? ? 0.076 ? ? ? ? ? ? ? ? ? 
7.91 11.18 ? ? ? ? ? ? 348  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.052 ? ? 19 1 0.999 ? ? ? ? 0.051 ? ? ? ? ? ? ? ? ? 
10   10    ? ? ? ? ? ? 193  ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 0.052 ? ? 20 1 0.999 ? ? ? ? 0.05  ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            0.00000 
_refine.aniso_B[1][2]                            0.00000 
_refine.aniso_B[1][3]                            0.00000 
_refine.aniso_B[2][2]                            0.00000 
_refine.aniso_B[2][3]                            0.00000 
_refine.aniso_B[3][3]                            0.00000 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               71.54 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.940 
_refine.correlation_coeff_Fo_to_Fc_free          0.928 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9G0U 
_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                            2.50 
_refine.ls_d_res_low                             25 
_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                     16132 
_refine.ls_number_reflns_R_free                  807 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    100.0 
_refine.ls_percent_reflns_R_free                 5.000 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.202 
_refine.ls_R_factor_R_free                       0.220 
_refine.ls_R_factor_R_free_error                 0.000 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.201 
_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                    ? 
_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                          0.000 
_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               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             ? 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             ? 
_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   0.166 
_refine.pdbx_overall_SU_R_free_Blow_DPI          0.163 
_refine.pdbx_overall_SU_R_Blow_DPI               0.187 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            ? 
_refine.overall_SU_R_Cruickshank_DPI             0.191 
_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_analyze.entry_id                        9G0U 
_refine_analyze.pdbx_refine_id                  'X-RAY DIFFRACTION' 
_refine_analyze.Luzzati_coordinate_error_free   ? 
_refine_analyze.Luzzati_coordinate_error_obs    0.32 
_refine_analyze.Luzzati_d_res_low_free          ? 
_refine_analyze.Luzzati_d_res_low_obs           ? 
_refine_analyze.Luzzati_sigma_a_free            ? 
_refine_analyze.Luzzati_sigma_a_free_details    ? 
_refine_analyze.Luzzati_sigma_a_obs             ? 
_refine_analyze.Luzzati_sigma_a_obs_details     ? 
_refine_analyze.number_disordered_residues      ? 
_refine_analyze.occupancy_sum_hydrogen          ? 
_refine_analyze.occupancy_sum_non_hydrogen      ? 
_refine_analyze.RG_d_res_high                   ? 
_refine_analyze.RG_d_res_low                    ? 
_refine_analyze.RG_free                         ? 
_refine_analyze.RG_work                         ? 
_refine_analyze.RG_free_work_ratio              ? 
_refine_analyze.pdbx_Luzzati_d_res_high_obs     ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       2.50 
_refine_hist.d_res_low                        25 
_refine_hist.number_atoms_solvent             67 
_refine_hist.number_atoms_total               1483 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1166 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         250 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.010 ? 1455 ? t_bond_d                  2.00  HARMONIC     
'X-RAY DIFFRACTION' ? 1.06  ? 1913 ? t_angle_deg               2.00  HARMONIC     
'X-RAY DIFFRACTION' ? ?     ? 543  ? t_dihedral_angle_d        2.00  SINUSOIDAL   
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_incorr_chiral_ct        ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_pseud_angle             ?     ?            
'X-RAY DIFFRACTION' ? ?     ? 12   ? t_trig_c_planes           2.00  HARMONIC     
'X-RAY DIFFRACTION' ? ?     ? 200  ? t_gen_planes              5.00  HARMONIC     
'X-RAY DIFFRACTION' ? ?     ? 1432 ? t_it                      20.00 HARMONIC     
'X-RAY DIFFRACTION' ? ?     ? 1    ? t_nbd                     5.00  SEMIHARMONIC 
'X-RAY DIFFRACTION' ? 2.79  ? ?    ? t_omega_torsion           ?     ?            
'X-RAY DIFFRACTION' ? 20.05 ? ?    ? t_other_torsion           ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_improper_torsion        ?     ?            
'X-RAY DIFFRACTION' ? ?     ? 163  ? t_chiral_improper_torsion 5.00  SEMIHARMONIC 
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_sum_occupancies         ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_utility_distance        ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_utility_angle           ?     ?            
'X-RAY DIFFRACTION' ? ?     ? ?    ? t_utility_torsion         ?     ?            
'X-RAY DIFFRACTION' ? ?     ? 1633 ? t_ideal_dist_contact      4.00  SEMIHARMONIC 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       2.50 
_refine_ls_shell.d_res_low                        2.67 
_refine_ls_shell.number_reflns_all                2911 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             146 
_refine_ls_shell.number_reflns_R_work             2765 
_refine_ls_shell.percent_reflns_obs               100.00 
_refine_ls_shell.percent_reflns_R_free            5.02 
_refine_ls_shell.R_factor_all                     0.296 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.R_factor_R_free_error            0.000 
_refine_ls_shell.R_factor_R_work                  0.294 
_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   8 
_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                  0.348 
# 
_struct.entry_id                     9G0U 
_struct.title                        'Human LTC4 synthase in complex with AZD9898' 
_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        9G0U 
_struct_keywords.text            'LTC4S, Inhibitor, LYASE' 
_struct_keywords.pdbx_keywords   LYASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 3 ? 
F N N 3 ? 
G N N 3 ? 
H N N 3 ? 
I N N 3 ? 
J N N 4 ? 
K N N 4 ? 
L N N 4 ? 
M N N 4 ? 
N N N 4 ? 
O N N 3 ? 
P N N 3 ? 
Q N N 3 ? 
R N N 5 ? 
S N N 4 ? 
T N N 4 ? 
U N N 3 ? 
V N N 6 ? 
W N N 7 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    LTC4S_HUMAN 
_struct_ref.pdbx_db_accession          Q16873 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;KDEVALLAAVTLLGVLLQAYFSLQVISARRAFRVSPPLTTGPPEFERVYRAQVNCSEYFPLFLATLWVAGIFFHEGAAAL
CGLVYLFARLRYFQGYARSAQLRLAPLYASARALWLLVALAALGLLAHFLPAALRAALLGRLRTLLPWA
;
_struct_ref.pdbx_align_begin           2 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9G0U 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 9 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 157 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q16873 
_struct_ref_seq.db_align_beg                  2 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  150 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       2 
_struct_ref_seq.pdbx_auth_seq_align_end       150 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9G0U MET A 1 ? UNP Q16873 ? ? 'initiating methionine' -6 1 
1 9G0U HIS A 2 ? UNP Q16873 ? ? 'expression tag'        -5 2 
1 9G0U HIS A 3 ? UNP Q16873 ? ? 'expression tag'        -4 3 
1 9G0U HIS A 4 ? UNP Q16873 ? ? 'expression tag'        -3 4 
1 9G0U HIS A 5 ? UNP Q16873 ? ? 'expression tag'        -2 5 
1 9G0U HIS A 6 ? UNP Q16873 ? ? 'expression tag'        -1 6 
1 9G0U HIS A 7 ? UNP Q16873 ? ? 'expression tag'        0  7 
1 9G0U GLY A 8 ? UNP Q16873 ? ? 'expression tag'        1  8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   trimeric 
_pdbx_struct_assembly.oligomeric_count     3 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 17790 ? 
1 MORE         -78   ? 
1 'SSA (A^2)'  24620 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2,3 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                
;NOTE: THERE IS 1 MOLECULES OF LTC4S-INHIBITOR COMPLEX IN ASYMMETRIC UNIT. BIOLOGICAL UNIT OF TRIMER CAN BE GENERATED BY DISPLAYING SYMMETRY EQUIVALENT MOLECULES.
;
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555  x,y,z   1.0000000000 0.0000000000  0.0000000000  0.0000000000 0.0000000000  1.0000000000 
0.0000000000 0.0000000000 0.0000000000  0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 7_555  -z,-x,y 0.0000000000 0.0000000000  -1.0000000000 0.0000000000 -1.0000000000 0.0000000000 
0.0000000000 0.0000000000 0.0000000000  1.0000000000 0.0000000000 0.0000000000 
3 'crystal symmetry operation' 10_555 -y,z,-x 0.0000000000 -1.0000000000 0.0000000000  0.0000000000 0.0000000000  0.0000000000 
1.0000000000 0.0000000000 -1.0000000000 0.0000000000 0.0000000000 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 VAL A 12  ? PHE A 40  ? VAL A 5   PHE A 33  1 ? 29 
HELX_P HELX_P2 AA2 PRO A 50  ? PHE A 81  ? PRO A 43  PHE A 74  1 ? 32 
HELX_P HELX_P3 AA3 HIS A 82  ? SER A 107 ? HIS A 75  SER A 100 1 ? 26 
HELX_P HELX_P4 AA4 ARG A 111 ? HIS A 136 ? ARG A 104 HIS A 129 1 ? 26 
HELX_P HELX_P5 AA5 PHE A 137 ? LEU A 147 ? PHE A 130 LEU A 140 1 ? 11 
HELX_P HELX_P6 AA6 ARG A 149 ? LEU A 154 ? ARG A 142 LEU A 147 1 ? 6  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_pdbx_entry_details.entry_id                   9G0U 
_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   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 ARG A 34 ? ? 48.59  26.66  
2 1 PHE A 74 ? ? -97.30 -92.16 
# 
_pdbx_validate_peptide_omega.id               1 
_pdbx_validate_peptide_omega.PDB_model_num    1 
_pdbx_validate_peptide_omega.auth_comp_id_1   PRO 
_pdbx_validate_peptide_omega.auth_asym_id_1   A 
_pdbx_validate_peptide_omega.auth_seq_id_1    37 
_pdbx_validate_peptide_omega.PDB_ins_code_1   ? 
_pdbx_validate_peptide_omega.label_alt_id_1   ? 
_pdbx_validate_peptide_omega.auth_comp_id_2   PRO 
_pdbx_validate_peptide_omega.auth_asym_id_2   A 
_pdbx_validate_peptide_omega.auth_seq_id_2    38 
_pdbx_validate_peptide_omega.PDB_ins_code_2   ? 
_pdbx_validate_peptide_omega.label_alt_id_2   ? 
_pdbx_validate_peptide_omega.omega            31.73 
# 
_pdbx_refine_tls.id               1 
_pdbx_refine_tls.pdbx_refine_id   'X-RAY DIFFRACTION' 
_pdbx_refine_tls.details          ? 
_pdbx_refine_tls.method           refined 
_pdbx_refine_tls.origin_x         24.3297 
_pdbx_refine_tls.origin_y         -28.7629 
_pdbx_refine_tls.origin_z         -13.4740 
_pdbx_refine_tls.T[1][1]          -0.1190 
_pdbx_refine_tls.T[1][1]_esd      ? 
_pdbx_refine_tls.T[1][2]          0.1095 
_pdbx_refine_tls.T[1][2]_esd      ? 
_pdbx_refine_tls.T[1][3]          0.0439 
_pdbx_refine_tls.T[1][3]_esd      ? 
_pdbx_refine_tls.T[2][2]          -0.1458 
_pdbx_refine_tls.T[2][2]_esd      ? 
_pdbx_refine_tls.T[2][3]          -0.0397 
_pdbx_refine_tls.T[2][3]_esd      ? 
_pdbx_refine_tls.T[3][3]          -0.1361 
_pdbx_refine_tls.T[3][3]_esd      ? 
_pdbx_refine_tls.L[1][1]          3.2938 
_pdbx_refine_tls.L[1][1]_esd      ? 
_pdbx_refine_tls.L[1][2]          -0.3989 
_pdbx_refine_tls.L[1][2]_esd      ? 
_pdbx_refine_tls.L[1][3]          -1.3154 
_pdbx_refine_tls.L[1][3]_esd      ? 
_pdbx_refine_tls.L[2][2]          0.9900 
_pdbx_refine_tls.L[2][2]_esd      ? 
_pdbx_refine_tls.L[2][3]          0.0090 
_pdbx_refine_tls.L[2][3]_esd      ? 
_pdbx_refine_tls.L[3][3]          2.6166 
_pdbx_refine_tls.L[3][3]_esd      ? 
_pdbx_refine_tls.S[1][1]          0.0111 
_pdbx_refine_tls.S[1][1]_esd      ? 
_pdbx_refine_tls.S[1][2]          -0.0867 
_pdbx_refine_tls.S[1][2]_esd      ? 
_pdbx_refine_tls.S[1][3]          -0.3616 
_pdbx_refine_tls.S[1][3]_esd      ? 
_pdbx_refine_tls.S[2][1]          0.0645 
_pdbx_refine_tls.S[2][1]_esd      ? 
_pdbx_refine_tls.S[2][2]          -0.0884 
_pdbx_refine_tls.S[2][2]_esd      ? 
_pdbx_refine_tls.S[2][3]          -0.1870 
_pdbx_refine_tls.S[2][3]_esd      ? 
_pdbx_refine_tls.S[3][1]          0.2696 
_pdbx_refine_tls.S[3][1]_esd      ? 
_pdbx_refine_tls.S[3][2]          0.3845 
_pdbx_refine_tls.S[3][2]_esd      ? 
_pdbx_refine_tls.S[3][3]          0.0773 
_pdbx_refine_tls.S[3][3]_esd      ? 
# 
_pdbx_refine_tls_group.id                  1 
_pdbx_refine_tls_group.pdbx_refine_id      'X-RAY DIFFRACTION' 
_pdbx_refine_tls_group.refine_tls_id       1 
_pdbx_refine_tls_group.beg_label_asym_id   ? 
_pdbx_refine_tls_group.beg_label_seq_id    ? 
_pdbx_refine_tls_group.beg_auth_asym_id    ? 
_pdbx_refine_tls_group.beg_auth_seq_id     ? 
_pdbx_refine_tls_group.beg_PDB_ins_code    ? 
_pdbx_refine_tls_group.end_label_asym_id   ? 
_pdbx_refine_tls_group.end_label_seq_id    ? 
_pdbx_refine_tls_group.end_auth_asym_id    ? 
_pdbx_refine_tls_group.end_auth_seq_id     ? 
_pdbx_refine_tls_group.end_PDB_ins_code    ? 
_pdbx_refine_tls_group.selection           ? 
_pdbx_refine_tls_group.selection_details   '{ A|* }' 
# 
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 -6  ? A MET 1   
2 1 Y 1 A HIS -5  ? A HIS 2   
3 1 Y 1 A HIS -4  ? A HIS 3   
4 1 Y 1 A HIS -3  ? A HIS 4   
5 1 Y 1 A HIS -2  ? A HIS 5   
6 1 Y 1 A HIS -1  ? A HIS 6   
7 1 Y 1 A HIS 0   ? A HIS 7   
8 1 Y 1 A ALA 150 ? A ALA 157 
# 
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 
A1IHJ C1     C  Y N 1   
A1IHJ C2     C  Y N 2   
A1IHJ C3     C  Y N 3   
A1IHJ C11    C  N N 4   
A1IHJ C12    C  N N 5   
A1IHJ C13    C  N N 6   
A1IHJ C14    C  N N 7   
A1IHJ C16    C  Y N 8   
A1IHJ C17    C  Y N 9   
A1IHJ C19    C  Y N 10  
A1IHJ C20    C  Y N 11  
A1IHJ C23    C  N N 12  
A1IHJ C24    C  N S 13  
A1IHJ C25    C  N N 14  
A1IHJ C26    C  N S 15  
A1IHJ C27    C  N N 16  
A1IHJ C28    C  N N 17  
A1IHJ C4     C  Y N 18  
A1IHJ C5     C  Y N 19  
A1IHJ C6     C  Y N 20  
A1IHJ F7     F  N N 21  
A1IHJ CL8    CL N N 22  
A1IHJ F9     F  N N 23  
A1IHJ N10    N  N N 24  
A1IHJ F15    F  N N 25  
A1IHJ N18    N  Y N 26  
A1IHJ N21    N  Y N 27  
A1IHJ O22    O  N N 28  
A1IHJ O29    O  N N 29  
A1IHJ O30    O  N N 30  
A1IHJ O31    O  N N 31  
A1IHJ H1     H  N N 32  
A1IHJ H2     H  N N 33  
A1IHJ H3     H  N N 34  
A1IHJ H4     H  N N 35  
A1IHJ H5     H  N N 36  
A1IHJ H6     H  N N 37  
A1IHJ H7     H  N N 38  
A1IHJ H8     H  N N 39  
A1IHJ H9     H  N N 40  
A1IHJ H10    H  N N 41  
A1IHJ H11    H  N N 42  
A1IHJ H12    H  N N 43  
A1IHJ H13    H  N N 44  
A1IHJ H14    H  N N 45  
A1IHJ H15    H  N N 46  
A1IHJ H16    H  N N 47  
A1IHJ H17    H  N N 48  
A1IHJ H18    H  N N 49  
A1IHJ H19    H  N N 50  
ALA   N      N  N N 51  
ALA   CA     C  N S 52  
ALA   C      C  N N 53  
ALA   O      O  N N 54  
ALA   CB     C  N N 55  
ALA   OXT    O  N N 56  
ALA   H      H  N N 57  
ALA   H2     H  N N 58  
ALA   HA     H  N N 59  
ALA   HB1    H  N N 60  
ALA   HB2    H  N N 61  
ALA   HB3    H  N N 62  
ALA   HXT    H  N N 63  
ARG   N      N  N N 64  
ARG   CA     C  N S 65  
ARG   C      C  N N 66  
ARG   O      O  N N 67  
ARG   CB     C  N N 68  
ARG   CG     C  N N 69  
ARG   CD     C  N N 70  
ARG   NE     N  N N 71  
ARG   CZ     C  N N 72  
ARG   NH1    N  N N 73  
ARG   NH2    N  N N 74  
ARG   OXT    O  N N 75  
ARG   H      H  N N 76  
ARG   H2     H  N N 77  
ARG   HA     H  N N 78  
ARG   HB2    H  N N 79  
ARG   HB3    H  N N 80  
ARG   HG2    H  N N 81  
ARG   HG3    H  N N 82  
ARG   HD2    H  N N 83  
ARG   HD3    H  N N 84  
ARG   HE     H  N N 85  
ARG   HH11   H  N N 86  
ARG   HH12   H  N N 87  
ARG   HH21   H  N N 88  
ARG   HH22   H  N N 89  
ARG   HXT    H  N N 90  
ASN   N      N  N N 91  
ASN   CA     C  N S 92  
ASN   C      C  N N 93  
ASN   O      O  N N 94  
ASN   CB     C  N N 95  
ASN   CG     C  N N 96  
ASN   OD1    O  N N 97  
ASN   ND2    N  N N 98  
ASN   OXT    O  N N 99  
ASN   H      H  N N 100 
ASN   H2     H  N N 101 
ASN   HA     H  N N 102 
ASN   HB2    H  N N 103 
ASN   HB3    H  N N 104 
ASN   HD21   H  N N 105 
ASN   HD22   H  N N 106 
ASN   HXT    H  N N 107 
ASP   N      N  N N 108 
ASP   CA     C  N S 109 
ASP   C      C  N N 110 
ASP   O      O  N N 111 
ASP   CB     C  N N 112 
ASP   CG     C  N N 113 
ASP   OD1    O  N N 114 
ASP   OD2    O  N N 115 
ASP   OXT    O  N N 116 
ASP   H      H  N N 117 
ASP   H2     H  N N 118 
ASP   HA     H  N N 119 
ASP   HB2    H  N N 120 
ASP   HB3    H  N N 121 
ASP   HD2    H  N N 122 
ASP   HXT    H  N N 123 
CYS   N      N  N N 124 
CYS   CA     C  N R 125 
CYS   C      C  N N 126 
CYS   O      O  N N 127 
CYS   CB     C  N N 128 
CYS   SG     S  N N 129 
CYS   OXT    O  N N 130 
CYS   H      H  N N 131 
CYS   H2     H  N N 132 
CYS   HA     H  N N 133 
CYS   HB2    H  N N 134 
CYS   HB3    H  N N 135 
CYS   HG     H  N N 136 
CYS   HXT    H  N N 137 
GLN   N      N  N N 138 
GLN   CA     C  N S 139 
GLN   C      C  N N 140 
GLN   O      O  N N 141 
GLN   CB     C  N N 142 
GLN   CG     C  N N 143 
GLN   CD     C  N N 144 
GLN   OE1    O  N N 145 
GLN   NE2    N  N N 146 
GLN   OXT    O  N N 147 
GLN   H      H  N N 148 
GLN   H2     H  N N 149 
GLN   HA     H  N N 150 
GLN   HB2    H  N N 151 
GLN   HB3    H  N N 152 
GLN   HG2    H  N N 153 
GLN   HG3    H  N N 154 
GLN   HE21   H  N N 155 
GLN   HE22   H  N N 156 
GLN   HXT    H  N N 157 
GLU   N      N  N N 158 
GLU   CA     C  N S 159 
GLU   C      C  N N 160 
GLU   O      O  N N 161 
GLU   CB     C  N N 162 
GLU   CG     C  N N 163 
GLU   CD     C  N N 164 
GLU   OE1    O  N N 165 
GLU   OE2    O  N N 166 
GLU   OXT    O  N N 167 
GLU   H      H  N N 168 
GLU   H2     H  N N 169 
GLU   HA     H  N N 170 
GLU   HB2    H  N N 171 
GLU   HB3    H  N N 172 
GLU   HG2    H  N N 173 
GLU   HG3    H  N N 174 
GLU   HE2    H  N N 175 
GLU   HXT    H  N N 176 
GLY   N      N  N N 177 
GLY   CA     C  N N 178 
GLY   C      C  N N 179 
GLY   O      O  N N 180 
GLY   OXT    O  N N 181 
GLY   H      H  N N 182 
GLY   H2     H  N N 183 
GLY   HA2    H  N N 184 
GLY   HA3    H  N N 185 
GLY   HXT    H  N N 186 
HIS   N      N  N N 187 
HIS   CA     C  N S 188 
HIS   C      C  N N 189 
HIS   O      O  N N 190 
HIS   CB     C  N N 191 
HIS   CG     C  Y N 192 
HIS   ND1    N  Y N 193 
HIS   CD2    C  Y N 194 
HIS   CE1    C  Y N 195 
HIS   NE2    N  Y N 196 
HIS   OXT    O  N N 197 
HIS   H      H  N N 198 
HIS   H2     H  N N 199 
HIS   HA     H  N N 200 
HIS   HB2    H  N N 201 
HIS   HB3    H  N N 202 
HIS   HD1    H  N N 203 
HIS   HD2    H  N N 204 
HIS   HE1    H  N N 205 
HIS   HE2    H  N N 206 
HIS   HXT    H  N N 207 
HOH   O      O  N N 208 
HOH   H1     H  N N 209 
HOH   H2     H  N N 210 
ILE   N      N  N N 211 
ILE   CA     C  N S 212 
ILE   C      C  N N 213 
ILE   O      O  N N 214 
ILE   CB     C  N S 215 
ILE   CG1    C  N N 216 
ILE   CG2    C  N N 217 
ILE   CD1    C  N N 218 
ILE   OXT    O  N N 219 
ILE   H      H  N N 220 
ILE   H2     H  N N 221 
ILE   HA     H  N N 222 
ILE   HB     H  N N 223 
ILE   HG12   H  N N 224 
ILE   HG13   H  N N 225 
ILE   HG21   H  N N 226 
ILE   HG22   H  N N 227 
ILE   HG23   H  N N 228 
ILE   HD11   H  N N 229 
ILE   HD12   H  N N 230 
ILE   HD13   H  N N 231 
ILE   HXT    H  N N 232 
LEU   N      N  N N 233 
LEU   CA     C  N S 234 
LEU   C      C  N N 235 
LEU   O      O  N N 236 
LEU   CB     C  N N 237 
LEU   CG     C  N N 238 
LEU   CD1    C  N N 239 
LEU   CD2    C  N N 240 
LEU   OXT    O  N N 241 
LEU   H      H  N N 242 
LEU   H2     H  N N 243 
LEU   HA     H  N N 244 
LEU   HB2    H  N N 245 
LEU   HB3    H  N N 246 
LEU   HG     H  N N 247 
LEU   HD11   H  N N 248 
LEU   HD12   H  N N 249 
LEU   HD13   H  N N 250 
LEU   HD21   H  N N 251 
LEU   HD22   H  N N 252 
LEU   HD23   H  N N 253 
LEU   HXT    H  N N 254 
LMT   C1B    C  N R 255 
LMT   C2B    C  N R 256 
LMT   C3B    C  N S 257 
LMT   C4B    C  N S 258 
LMT   C5B    C  N R 259 
LMT   C6B    C  N N 260 
LMT   O1B    O  N N 261 
LMT   O2B    O  N N 262 
LMT   O3B    O  N N 263 
LMT   "O4'"  O  N N 264 
LMT   O5B    O  N N 265 
LMT   O6B    O  N N 266 
LMT   "C1'"  C  N R 267 
LMT   "C2'"  C  N R 268 
LMT   "C3'"  C  N R 269 
LMT   "C4'"  C  N S 270 
LMT   "C5'"  C  N R 271 
LMT   "C6'"  C  N N 272 
LMT   "O1'"  O  N N 273 
LMT   "O2'"  O  N N 274 
LMT   "O3'"  O  N N 275 
LMT   "O5'"  O  N N 276 
LMT   "O6'"  O  N N 277 
LMT   C1     C  N N 278 
LMT   C2     C  N N 279 
LMT   C3     C  N N 280 
LMT   C4     C  N N 281 
LMT   C5     C  N N 282 
LMT   C6     C  N N 283 
LMT   C7     C  N N 284 
LMT   C8     C  N N 285 
LMT   C9     C  N N 286 
LMT   C10    C  N N 287 
LMT   C11    C  N N 288 
LMT   C12    C  N N 289 
LMT   H1B    H  N N 290 
LMT   H2B    H  N N 291 
LMT   H3B    H  N N 292 
LMT   H4B    H  N N 293 
LMT   H5B    H  N N 294 
LMT   "H6'2" H  N N 295 
LMT   "H6'1" H  N N 296 
LMT   H2O1   H  N N 297 
LMT   H3O1   H  N N 298 
LMT   H4O1   H  N N 299 
LMT   H6B    H  N N 300 
LMT   "H1'"  H  N N 301 
LMT   "H2'"  H  N N 302 
LMT   "H3'"  H  N N 303 
LMT   "H4'"  H  N N 304 
LMT   "H5'"  H  N N 305 
LMT   H6D    H  N N 306 
LMT   H6E    H  N N 307 
LMT   H2O2   H  N N 308 
LMT   H3O2   H  N N 309 
LMT   "H6'"  H  N N 310 
LMT   H12    H  N N 311 
LMT   H11    H  N N 312 
LMT   H22    H  N N 313 
LMT   H21    H  N N 314 
LMT   H32    H  N N 315 
LMT   H31    H  N N 316 
LMT   H42    H  N N 317 
LMT   H41    H  N N 318 
LMT   H52    H  N N 319 
LMT   H51    H  N N 320 
LMT   H62    H  N N 321 
LMT   H61    H  N N 322 
LMT   H72    H  N N 323 
LMT   H71    H  N N 324 
LMT   H82    H  N N 325 
LMT   H81    H  N N 326 
LMT   H92    H  N N 327 
LMT   H91    H  N N 328 
LMT   H102   H  N N 329 
LMT   H101   H  N N 330 
LMT   H112   H  N N 331 
LMT   H111   H  N N 332 
LMT   H123   H  N N 333 
LMT   H122   H  N N 334 
LMT   H121   H  N N 335 
LYS   N      N  N N 336 
LYS   CA     C  N S 337 
LYS   C      C  N N 338 
LYS   O      O  N N 339 
LYS   CB     C  N N 340 
LYS   CG     C  N N 341 
LYS   CD     C  N N 342 
LYS   CE     C  N N 343 
LYS   NZ     N  N N 344 
LYS   OXT    O  N N 345 
LYS   H      H  N N 346 
LYS   H2     H  N N 347 
LYS   HA     H  N N 348 
LYS   HB2    H  N N 349 
LYS   HB3    H  N N 350 
LYS   HG2    H  N N 351 
LYS   HG3    H  N N 352 
LYS   HD2    H  N N 353 
LYS   HD3    H  N N 354 
LYS   HE2    H  N N 355 
LYS   HE3    H  N N 356 
LYS   HZ1    H  N N 357 
LYS   HZ2    H  N N 358 
LYS   HZ3    H  N N 359 
LYS   HXT    H  N N 360 
MET   N      N  N N 361 
MET   CA     C  N S 362 
MET   C      C  N N 363 
MET   O      O  N N 364 
MET   CB     C  N N 365 
MET   CG     C  N N 366 
MET   SD     S  N N 367 
MET   CE     C  N N 368 
MET   OXT    O  N N 369 
MET   H      H  N N 370 
MET   H2     H  N N 371 
MET   HA     H  N N 372 
MET   HB2    H  N N 373 
MET   HB3    H  N N 374 
MET   HG2    H  N N 375 
MET   HG3    H  N N 376 
MET   HE1    H  N N 377 
MET   HE2    H  N N 378 
MET   HE3    H  N N 379 
MET   HXT    H  N N 380 
PAM   C1     C  N N 381 
PAM   O1     O  N N 382 
PAM   O2     O  N N 383 
PAM   C2     C  N N 384 
PAM   C3     C  N N 385 
PAM   C4     C  N N 386 
PAM   C5     C  N N 387 
PAM   C6     C  N N 388 
PAM   C7     C  N N 389 
PAM   C8     C  N N 390 
PAM   C9     C  N N 391 
PAM   C10    C  N N 392 
PAM   C11    C  N N 393 
PAM   C12    C  N N 394 
PAM   C13    C  N N 395 
PAM   C14    C  N N 396 
PAM   C15    C  N N 397 
PAM   C16    C  N N 398 
PAM   HO1    H  N N 399 
PAM   H21    H  N N 400 
PAM   H22    H  N N 401 
PAM   H31    H  N N 402 
PAM   H32    H  N N 403 
PAM   H41    H  N N 404 
PAM   H42    H  N N 405 
PAM   H51    H  N N 406 
PAM   H52    H  N N 407 
PAM   H61    H  N N 408 
PAM   H62    H  N N 409 
PAM   H71    H  N N 410 
PAM   H72    H  N N 411 
PAM   H81    H  N N 412 
PAM   H82    H  N N 413 
PAM   H9     H  N N 414 
PAM   H10    H  N N 415 
PAM   H111   H  N N 416 
PAM   H112   H  N N 417 
PAM   H121   H  N N 418 
PAM   H122   H  N N 419 
PAM   H131   H  N N 420 
PAM   H132   H  N N 421 
PAM   H141   H  N N 422 
PAM   H142   H  N N 423 
PAM   H151   H  N N 424 
PAM   H152   H  N N 425 
PAM   H161   H  N N 426 
PAM   H162   H  N N 427 
PAM   H163   H  N N 428 
PHE   N      N  N N 429 
PHE   CA     C  N S 430 
PHE   C      C  N N 431 
PHE   O      O  N N 432 
PHE   CB     C  N N 433 
PHE   CG     C  Y N 434 
PHE   CD1    C  Y N 435 
PHE   CD2    C  Y N 436 
PHE   CE1    C  Y N 437 
PHE   CE2    C  Y N 438 
PHE   CZ     C  Y N 439 
PHE   OXT    O  N N 440 
PHE   H      H  N N 441 
PHE   H2     H  N N 442 
PHE   HA     H  N N 443 
PHE   HB2    H  N N 444 
PHE   HB3    H  N N 445 
PHE   HD1    H  N N 446 
PHE   HD2    H  N N 447 
PHE   HE1    H  N N 448 
PHE   HE2    H  N N 449 
PHE   HZ     H  N N 450 
PHE   HXT    H  N N 451 
PLM   C1     C  N N 452 
PLM   O1     O  N N 453 
PLM   O2     O  N N 454 
PLM   C2     C  N N 455 
PLM   C3     C  N N 456 
PLM   C4     C  N N 457 
PLM   C5     C  N N 458 
PLM   C6     C  N N 459 
PLM   C7     C  N N 460 
PLM   C8     C  N N 461 
PLM   C9     C  N N 462 
PLM   CA     C  N N 463 
PLM   CB     C  N N 464 
PLM   CC     C  N N 465 
PLM   CD     C  N N 466 
PLM   CE     C  N N 467 
PLM   CF     C  N N 468 
PLM   CG     C  N N 469 
PLM   H      H  N N 470 
PLM   H21    H  N N 471 
PLM   H22    H  N N 472 
PLM   H31    H  N N 473 
PLM   H32    H  N N 474 
PLM   H41    H  N N 475 
PLM   H42    H  N N 476 
PLM   H51    H  N N 477 
PLM   H52    H  N N 478 
PLM   H61    H  N N 479 
PLM   H62    H  N N 480 
PLM   H71    H  N N 481 
PLM   H72    H  N N 482 
PLM   H81    H  N N 483 
PLM   H82    H  N N 484 
PLM   H91    H  N N 485 
PLM   H92    H  N N 486 
PLM   HA1    H  N N 487 
PLM   HA2    H  N N 488 
PLM   HB1    H  N N 489 
PLM   HB2    H  N N 490 
PLM   HC1    H  N N 491 
PLM   HC2    H  N N 492 
PLM   HD1    H  N N 493 
PLM   HD2    H  N N 494 
PLM   HE1    H  N N 495 
PLM   HE2    H  N N 496 
PLM   HF1    H  N N 497 
PLM   HF2    H  N N 498 
PLM   HG1    H  N N 499 
PLM   HG2    H  N N 500 
PLM   HG3    H  N N 501 
PRO   N      N  N N 502 
PRO   CA     C  N S 503 
PRO   C      C  N N 504 
PRO   O      O  N N 505 
PRO   CB     C  N N 506 
PRO   CG     C  N N 507 
PRO   CD     C  N N 508 
PRO   OXT    O  N N 509 
PRO   H      H  N N 510 
PRO   HA     H  N N 511 
PRO   HB2    H  N N 512 
PRO   HB3    H  N N 513 
PRO   HG2    H  N N 514 
PRO   HG3    H  N N 515 
PRO   HD2    H  N N 516 
PRO   HD3    H  N N 517 
PRO   HXT    H  N N 518 
SER   N      N  N N 519 
SER   CA     C  N S 520 
SER   C      C  N N 521 
SER   O      O  N N 522 
SER   CB     C  N N 523 
SER   OG     O  N N 524 
SER   OXT    O  N N 525 
SER   H      H  N N 526 
SER   H2     H  N N 527 
SER   HA     H  N N 528 
SER   HB2    H  N N 529 
SER   HB3    H  N N 530 
SER   HG     H  N N 531 
SER   HXT    H  N N 532 
SO4   S      S  N N 533 
SO4   O1     O  N N 534 
SO4   O2     O  N N 535 
SO4   O3     O  N N 536 
SO4   O4     O  N N 537 
THR   N      N  N N 538 
THR   CA     C  N S 539 
THR   C      C  N N 540 
THR   O      O  N N 541 
THR   CB     C  N R 542 
THR   OG1    O  N N 543 
THR   CG2    C  N N 544 
THR   OXT    O  N N 545 
THR   H      H  N N 546 
THR   H2     H  N N 547 
THR   HA     H  N N 548 
THR   HB     H  N N 549 
THR   HG1    H  N N 550 
THR   HG21   H  N N 551 
THR   HG22   H  N N 552 
THR   HG23   H  N N 553 
THR   HXT    H  N N 554 
TRP   N      N  N N 555 
TRP   CA     C  N S 556 
TRP   C      C  N N 557 
TRP   O      O  N N 558 
TRP   CB     C  N N 559 
TRP   CG     C  Y N 560 
TRP   CD1    C  Y N 561 
TRP   CD2    C  Y N 562 
TRP   NE1    N  Y N 563 
TRP   CE2    C  Y N 564 
TRP   CE3    C  Y N 565 
TRP   CZ2    C  Y N 566 
TRP   CZ3    C  Y N 567 
TRP   CH2    C  Y N 568 
TRP   OXT    O  N N 569 
TRP   H      H  N N 570 
TRP   H2     H  N N 571 
TRP   HA     H  N N 572 
TRP   HB2    H  N N 573 
TRP   HB3    H  N N 574 
TRP   HD1    H  N N 575 
TRP   HE1    H  N N 576 
TRP   HE3    H  N N 577 
TRP   HZ2    H  N N 578 
TRP   HZ3    H  N N 579 
TRP   HH2    H  N N 580 
TRP   HXT    H  N N 581 
TYR   N      N  N N 582 
TYR   CA     C  N S 583 
TYR   C      C  N N 584 
TYR   O      O  N N 585 
TYR   CB     C  N N 586 
TYR   CG     C  Y N 587 
TYR   CD1    C  Y N 588 
TYR   CD2    C  Y N 589 
TYR   CE1    C  Y N 590 
TYR   CE2    C  Y N 591 
TYR   CZ     C  Y N 592 
TYR   OH     O  N N 593 
TYR   OXT    O  N N 594 
TYR   H      H  N N 595 
TYR   H2     H  N N 596 
TYR   HA     H  N N 597 
TYR   HB2    H  N N 598 
TYR   HB3    H  N N 599 
TYR   HD1    H  N N 600 
TYR   HD2    H  N N 601 
TYR   HE1    H  N N 602 
TYR   HE2    H  N N 603 
TYR   HH     H  N N 604 
TYR   HXT    H  N N 605 
VAL   N      N  N N 606 
VAL   CA     C  N S 607 
VAL   C      C  N N 608 
VAL   O      O  N N 609 
VAL   CB     C  N N 610 
VAL   CG1    C  N N 611 
VAL   CG2    C  N N 612 
VAL   OXT    O  N N 613 
VAL   H      H  N N 614 
VAL   H2     H  N N 615 
VAL   HA     H  N N 616 
VAL   HB     H  N N 617 
VAL   HG11   H  N N 618 
VAL   HG12   H  N N 619 
VAL   HG13   H  N N 620 
VAL   HG21   H  N N 621 
VAL   HG22   H  N N 622 
VAL   HG23   H  N N 623 
VAL   HXT    H  N N 624 
# 
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 
A1IHJ C25   C24    sing N N 1   
A1IHJ C25   C26    sing N N 2   
A1IHJ O31   C27    doub N N 3   
A1IHJ C24   C27    sing N N 4   
A1IHJ C24   C26    sing N N 5   
A1IHJ C27   O30    sing N N 6   
A1IHJ C26   C28    sing N N 7   
A1IHJ C28   O29    doub N N 8   
A1IHJ C28   C16    sing N N 9   
A1IHJ N21   C20    doub Y N 10  
A1IHJ N21   C16    sing Y N 11  
A1IHJ C20   C19    sing Y N 12  
A1IHJ C16   C17    doub Y N 13  
A1IHJ C13   C12    sing N N 14  
A1IHJ C11   C12    sing N N 15  
A1IHJ C11   N10    sing N N 16  
A1IHJ C19   N10    sing N N 17  
A1IHJ C19   N18    doub Y N 18  
A1IHJ C17   N18    sing Y N 19  
A1IHJ C17   O22    sing N N 20  
A1IHJ C12   C14    sing N N 21  
A1IHJ C12   F15    sing N N 22  
A1IHJ N10   C6     sing N N 23  
A1IHJ C5    C6     doub Y N 24  
A1IHJ C5    C4     sing Y N 25  
A1IHJ O22   C23    sing N N 26  
A1IHJ CL8   C4     sing N N 27  
A1IHJ C6    C1     sing Y N 28  
A1IHJ C4    C3     doub Y N 29  
A1IHJ C1    F9     sing N N 30  
A1IHJ C1    C2     doub Y N 31  
A1IHJ C3    C2     sing Y N 32  
A1IHJ C3    F7     sing N N 33  
A1IHJ C2    H1     sing N N 34  
A1IHJ C11   H2     sing N N 35  
A1IHJ C11   H3     sing N N 36  
A1IHJ C13   H4     sing N N 37  
A1IHJ C13   H5     sing N N 38  
A1IHJ C13   H6     sing N N 39  
A1IHJ C14   H7     sing N N 40  
A1IHJ C14   H8     sing N N 41  
A1IHJ C14   H9     sing N N 42  
A1IHJ C20   H10    sing N N 43  
A1IHJ C23   H11    sing N N 44  
A1IHJ C23   H12    sing N N 45  
A1IHJ C23   H13    sing N N 46  
A1IHJ C24   H14    sing N N 47  
A1IHJ C25   H15    sing N N 48  
A1IHJ C25   H16    sing N N 49  
A1IHJ C26   H17    sing N N 50  
A1IHJ C5    H18    sing N N 51  
A1IHJ O30   H19    sing N N 52  
ALA   N     CA     sing N N 53  
ALA   N     H      sing N N 54  
ALA   N     H2     sing N N 55  
ALA   CA    C      sing N N 56  
ALA   CA    CB     sing N N 57  
ALA   CA    HA     sing N N 58  
ALA   C     O      doub N N 59  
ALA   C     OXT    sing N N 60  
ALA   CB    HB1    sing N N 61  
ALA   CB    HB2    sing N N 62  
ALA   CB    HB3    sing N N 63  
ALA   OXT   HXT    sing N N 64  
ARG   N     CA     sing N N 65  
ARG   N     H      sing N N 66  
ARG   N     H2     sing N N 67  
ARG   CA    C      sing N N 68  
ARG   CA    CB     sing N N 69  
ARG   CA    HA     sing N N 70  
ARG   C     O      doub N N 71  
ARG   C     OXT    sing N N 72  
ARG   CB    CG     sing N N 73  
ARG   CB    HB2    sing N N 74  
ARG   CB    HB3    sing N N 75  
ARG   CG    CD     sing N N 76  
ARG   CG    HG2    sing N N 77  
ARG   CG    HG3    sing N N 78  
ARG   CD    NE     sing N N 79  
ARG   CD    HD2    sing N N 80  
ARG   CD    HD3    sing N N 81  
ARG   NE    CZ     sing N N 82  
ARG   NE    HE     sing N N 83  
ARG   CZ    NH1    sing N N 84  
ARG   CZ    NH2    doub N N 85  
ARG   NH1   HH11   sing N N 86  
ARG   NH1   HH12   sing N N 87  
ARG   NH2   HH21   sing N N 88  
ARG   NH2   HH22   sing N N 89  
ARG   OXT   HXT    sing N N 90  
ASN   N     CA     sing N N 91  
ASN   N     H      sing N N 92  
ASN   N     H2     sing N N 93  
ASN   CA    C      sing N N 94  
ASN   CA    CB     sing N N 95  
ASN   CA    HA     sing N N 96  
ASN   C     O      doub N N 97  
ASN   C     OXT    sing N N 98  
ASN   CB    CG     sing N N 99  
ASN   CB    HB2    sing N N 100 
ASN   CB    HB3    sing N N 101 
ASN   CG    OD1    doub N N 102 
ASN   CG    ND2    sing N N 103 
ASN   ND2   HD21   sing N N 104 
ASN   ND2   HD22   sing N N 105 
ASN   OXT   HXT    sing N N 106 
ASP   N     CA     sing N N 107 
ASP   N     H      sing N N 108 
ASP   N     H2     sing N N 109 
ASP   CA    C      sing N N 110 
ASP   CA    CB     sing N N 111 
ASP   CA    HA     sing N N 112 
ASP   C     O      doub N N 113 
ASP   C     OXT    sing N N 114 
ASP   CB    CG     sing N N 115 
ASP   CB    HB2    sing N N 116 
ASP   CB    HB3    sing N N 117 
ASP   CG    OD1    doub N N 118 
ASP   CG    OD2    sing N N 119 
ASP   OD2   HD2    sing N N 120 
ASP   OXT   HXT    sing N N 121 
CYS   N     CA     sing N N 122 
CYS   N     H      sing N N 123 
CYS   N     H2     sing N N 124 
CYS   CA    C      sing N N 125 
CYS   CA    CB     sing N N 126 
CYS   CA    HA     sing N N 127 
CYS   C     O      doub N N 128 
CYS   C     OXT    sing N N 129 
CYS   CB    SG     sing N N 130 
CYS   CB    HB2    sing N N 131 
CYS   CB    HB3    sing N N 132 
CYS   SG    HG     sing N N 133 
CYS   OXT   HXT    sing N N 134 
GLN   N     CA     sing N N 135 
GLN   N     H      sing N N 136 
GLN   N     H2     sing N N 137 
GLN   CA    C      sing N N 138 
GLN   CA    CB     sing N N 139 
GLN   CA    HA     sing N N 140 
GLN   C     O      doub N N 141 
GLN   C     OXT    sing N N 142 
GLN   CB    CG     sing N N 143 
GLN   CB    HB2    sing N N 144 
GLN   CB    HB3    sing N N 145 
GLN   CG    CD     sing N N 146 
GLN   CG    HG2    sing N N 147 
GLN   CG    HG3    sing N N 148 
GLN   CD    OE1    doub N N 149 
GLN   CD    NE2    sing N N 150 
GLN   NE2   HE21   sing N N 151 
GLN   NE2   HE22   sing N N 152 
GLN   OXT   HXT    sing N N 153 
GLU   N     CA     sing N N 154 
GLU   N     H      sing N N 155 
GLU   N     H2     sing N N 156 
GLU   CA    C      sing N N 157 
GLU   CA    CB     sing N N 158 
GLU   CA    HA     sing N N 159 
GLU   C     O      doub N N 160 
GLU   C     OXT    sing N N 161 
GLU   CB    CG     sing N N 162 
GLU   CB    HB2    sing N N 163 
GLU   CB    HB3    sing N N 164 
GLU   CG    CD     sing N N 165 
GLU   CG    HG2    sing N N 166 
GLU   CG    HG3    sing N N 167 
GLU   CD    OE1    doub N N 168 
GLU   CD    OE2    sing N N 169 
GLU   OE2   HE2    sing N N 170 
GLU   OXT   HXT    sing N N 171 
GLY   N     CA     sing N N 172 
GLY   N     H      sing N N 173 
GLY   N     H2     sing N N 174 
GLY   CA    C      sing N N 175 
GLY   CA    HA2    sing N N 176 
GLY   CA    HA3    sing N N 177 
GLY   C     O      doub N N 178 
GLY   C     OXT    sing N N 179 
GLY   OXT   HXT    sing N N 180 
HIS   N     CA     sing N N 181 
HIS   N     H      sing N N 182 
HIS   N     H2     sing N N 183 
HIS   CA    C      sing N N 184 
HIS   CA    CB     sing N N 185 
HIS   CA    HA     sing N N 186 
HIS   C     O      doub N N 187 
HIS   C     OXT    sing N N 188 
HIS   CB    CG     sing N N 189 
HIS   CB    HB2    sing N N 190 
HIS   CB    HB3    sing N N 191 
HIS   CG    ND1    sing Y N 192 
HIS   CG    CD2    doub Y N 193 
HIS   ND1   CE1    doub Y N 194 
HIS   ND1   HD1    sing N N 195 
HIS   CD2   NE2    sing Y N 196 
HIS   CD2   HD2    sing N N 197 
HIS   CE1   NE2    sing Y N 198 
HIS   CE1   HE1    sing N N 199 
HIS   NE2   HE2    sing N N 200 
HIS   OXT   HXT    sing N N 201 
HOH   O     H1     sing N N 202 
HOH   O     H2     sing N N 203 
ILE   N     CA     sing N N 204 
ILE   N     H      sing N N 205 
ILE   N     H2     sing N N 206 
ILE   CA    C      sing N N 207 
ILE   CA    CB     sing N N 208 
ILE   CA    HA     sing N N 209 
ILE   C     O      doub N N 210 
ILE   C     OXT    sing N N 211 
ILE   CB    CG1    sing N N 212 
ILE   CB    CG2    sing N N 213 
ILE   CB    HB     sing N N 214 
ILE   CG1   CD1    sing N N 215 
ILE   CG1   HG12   sing N N 216 
ILE   CG1   HG13   sing N N 217 
ILE   CG2   HG21   sing N N 218 
ILE   CG2   HG22   sing N N 219 
ILE   CG2   HG23   sing N N 220 
ILE   CD1   HD11   sing N N 221 
ILE   CD1   HD12   sing N N 222 
ILE   CD1   HD13   sing N N 223 
ILE   OXT   HXT    sing N N 224 
LEU   N     CA     sing N N 225 
LEU   N     H      sing N N 226 
LEU   N     H2     sing N N 227 
LEU   CA    C      sing N N 228 
LEU   CA    CB     sing N N 229 
LEU   CA    HA     sing N N 230 
LEU   C     O      doub N N 231 
LEU   C     OXT    sing N N 232 
LEU   CB    CG     sing N N 233 
LEU   CB    HB2    sing N N 234 
LEU   CB    HB3    sing N N 235 
LEU   CG    CD1    sing N N 236 
LEU   CG    CD2    sing N N 237 
LEU   CG    HG     sing N N 238 
LEU   CD1   HD11   sing N N 239 
LEU   CD1   HD12   sing N N 240 
LEU   CD1   HD13   sing N N 241 
LEU   CD2   HD21   sing N N 242 
LEU   CD2   HD22   sing N N 243 
LEU   CD2   HD23   sing N N 244 
LEU   OXT   HXT    sing N N 245 
LMT   C1B   C2B    sing N N 246 
LMT   C1B   O1B    sing N N 247 
LMT   C1B   O5B    sing N N 248 
LMT   C1B   H1B    sing N N 249 
LMT   C2B   C3B    sing N N 250 
LMT   C2B   O2B    sing N N 251 
LMT   C2B   H2B    sing N N 252 
LMT   C3B   C4B    sing N N 253 
LMT   C3B   O3B    sing N N 254 
LMT   C3B   H3B    sing N N 255 
LMT   C4B   C5B    sing N N 256 
LMT   C4B   "O4'"  sing N N 257 
LMT   C4B   H4B    sing N N 258 
LMT   C5B   C6B    sing N N 259 
LMT   C5B   O5B    sing N N 260 
LMT   C5B   H5B    sing N N 261 
LMT   C6B   O6B    sing N N 262 
LMT   C6B   "H6'2" sing N N 263 
LMT   C6B   "H6'1" sing N N 264 
LMT   O1B   "C4'"  sing N N 265 
LMT   O2B   H2O1   sing N N 266 
LMT   O3B   H3O1   sing N N 267 
LMT   "O4'" H4O1   sing N N 268 
LMT   O6B   H6B    sing N N 269 
LMT   "C1'" "C2'"  sing N N 270 
LMT   "C1'" "O1'"  sing N N 271 
LMT   "C1'" "O5'"  sing N N 272 
LMT   "C1'" "H1'"  sing N N 273 
LMT   "C2'" "C3'"  sing N N 274 
LMT   "C2'" "O2'"  sing N N 275 
LMT   "C2'" "H2'"  sing N N 276 
LMT   "C3'" "C4'"  sing N N 277 
LMT   "C3'" "O3'"  sing N N 278 
LMT   "C3'" "H3'"  sing N N 279 
LMT   "C4'" "C5'"  sing N N 280 
LMT   "C4'" "H4'"  sing N N 281 
LMT   "C5'" "C6'"  sing N N 282 
LMT   "C5'" "O5'"  sing N N 283 
LMT   "C5'" "H5'"  sing N N 284 
LMT   "C6'" "O6'"  sing N N 285 
LMT   "C6'" H6D    sing N N 286 
LMT   "C6'" H6E    sing N N 287 
LMT   "O1'" C1     sing N N 288 
LMT   "O2'" H2O2   sing N N 289 
LMT   "O3'" H3O2   sing N N 290 
LMT   "O6'" "H6'"  sing N N 291 
LMT   C1    C2     sing N N 292 
LMT   C1    H12    sing N N 293 
LMT   C1    H11    sing N N 294 
LMT   C2    C3     sing N N 295 
LMT   C2    H22    sing N N 296 
LMT   C2    H21    sing N N 297 
LMT   C3    C4     sing N N 298 
LMT   C3    H32    sing N N 299 
LMT   C3    H31    sing N N 300 
LMT   C4    C5     sing N N 301 
LMT   C4    H42    sing N N 302 
LMT   C4    H41    sing N N 303 
LMT   C5    C6     sing N N 304 
LMT   C5    H52    sing N N 305 
LMT   C5    H51    sing N N 306 
LMT   C6    C7     sing N N 307 
LMT   C6    H62    sing N N 308 
LMT   C6    H61    sing N N 309 
LMT   C7    C8     sing N N 310 
LMT   C7    H72    sing N N 311 
LMT   C7    H71    sing N N 312 
LMT   C8    C9     sing N N 313 
LMT   C8    H82    sing N N 314 
LMT   C8    H81    sing N N 315 
LMT   C9    C10    sing N N 316 
LMT   C9    H92    sing N N 317 
LMT   C9    H91    sing N N 318 
LMT   C10   C11    sing N N 319 
LMT   C10   H102   sing N N 320 
LMT   C10   H101   sing N N 321 
LMT   C11   C12    sing N N 322 
LMT   C11   H112   sing N N 323 
LMT   C11   H111   sing N N 324 
LMT   C12   H123   sing N N 325 
LMT   C12   H122   sing N N 326 
LMT   C12   H121   sing N N 327 
LYS   N     CA     sing N N 328 
LYS   N     H      sing N N 329 
LYS   N     H2     sing N N 330 
LYS   CA    C      sing N N 331 
LYS   CA    CB     sing N N 332 
LYS   CA    HA     sing N N 333 
LYS   C     O      doub N N 334 
LYS   C     OXT    sing N N 335 
LYS   CB    CG     sing N N 336 
LYS   CB    HB2    sing N N 337 
LYS   CB    HB3    sing N N 338 
LYS   CG    CD     sing N N 339 
LYS   CG    HG2    sing N N 340 
LYS   CG    HG3    sing N N 341 
LYS   CD    CE     sing N N 342 
LYS   CD    HD2    sing N N 343 
LYS   CD    HD3    sing N N 344 
LYS   CE    NZ     sing N N 345 
LYS   CE    HE2    sing N N 346 
LYS   CE    HE3    sing N N 347 
LYS   NZ    HZ1    sing N N 348 
LYS   NZ    HZ2    sing N N 349 
LYS   NZ    HZ3    sing N N 350 
LYS   OXT   HXT    sing N N 351 
MET   N     CA     sing N N 352 
MET   N     H      sing N N 353 
MET   N     H2     sing N N 354 
MET   CA    C      sing N N 355 
MET   CA    CB     sing N N 356 
MET   CA    HA     sing N N 357 
MET   C     O      doub N N 358 
MET   C     OXT    sing N N 359 
MET   CB    CG     sing N N 360 
MET   CB    HB2    sing N N 361 
MET   CB    HB3    sing N N 362 
MET   CG    SD     sing N N 363 
MET   CG    HG2    sing N N 364 
MET   CG    HG3    sing N N 365 
MET   SD    CE     sing N N 366 
MET   CE    HE1    sing N N 367 
MET   CE    HE2    sing N N 368 
MET   CE    HE3    sing N N 369 
MET   OXT   HXT    sing N N 370 
PAM   C1    O1     sing N N 371 
PAM   C1    O2     doub N N 372 
PAM   C1    C2     sing N N 373 
PAM   O1    HO1    sing N N 374 
PAM   C2    C3     sing N N 375 
PAM   C2    H21    sing N N 376 
PAM   C2    H22    sing N N 377 
PAM   C3    C4     sing N N 378 
PAM   C3    H31    sing N N 379 
PAM   C3    H32    sing N N 380 
PAM   C4    C5     sing N N 381 
PAM   C4    H41    sing N N 382 
PAM   C4    H42    sing N N 383 
PAM   C5    C6     sing N N 384 
PAM   C5    H51    sing N N 385 
PAM   C5    H52    sing N N 386 
PAM   C6    C7     sing N N 387 
PAM   C6    H61    sing N N 388 
PAM   C6    H62    sing N N 389 
PAM   C7    C8     sing N N 390 
PAM   C7    H71    sing N N 391 
PAM   C7    H72    sing N N 392 
PAM   C8    C9     sing N N 393 
PAM   C8    H81    sing N N 394 
PAM   C8    H82    sing N N 395 
PAM   C9    C10    doub N Z 396 
PAM   C9    H9     sing N N 397 
PAM   C10   C11    sing N N 398 
PAM   C10   H10    sing N N 399 
PAM   C11   C12    sing N N 400 
PAM   C11   H111   sing N N 401 
PAM   C11   H112   sing N N 402 
PAM   C12   C13    sing N N 403 
PAM   C12   H121   sing N N 404 
PAM   C12   H122   sing N N 405 
PAM   C13   C14    sing N N 406 
PAM   C13   H131   sing N N 407 
PAM   C13   H132   sing N N 408 
PAM   C14   C15    sing N N 409 
PAM   C14   H141   sing N N 410 
PAM   C14   H142   sing N N 411 
PAM   C15   C16    sing N N 412 
PAM   C15   H151   sing N N 413 
PAM   C15   H152   sing N N 414 
PAM   C16   H161   sing N N 415 
PAM   C16   H162   sing N N 416 
PAM   C16   H163   sing N N 417 
PHE   N     CA     sing N N 418 
PHE   N     H      sing N N 419 
PHE   N     H2     sing N N 420 
PHE   CA    C      sing N N 421 
PHE   CA    CB     sing N N 422 
PHE   CA    HA     sing N N 423 
PHE   C     O      doub N N 424 
PHE   C     OXT    sing N N 425 
PHE   CB    CG     sing N N 426 
PHE   CB    HB2    sing N N 427 
PHE   CB    HB3    sing N N 428 
PHE   CG    CD1    doub Y N 429 
PHE   CG    CD2    sing Y N 430 
PHE   CD1   CE1    sing Y N 431 
PHE   CD1   HD1    sing N N 432 
PHE   CD2   CE2    doub Y N 433 
PHE   CD2   HD2    sing N N 434 
PHE   CE1   CZ     doub Y N 435 
PHE   CE1   HE1    sing N N 436 
PHE   CE2   CZ     sing Y N 437 
PHE   CE2   HE2    sing N N 438 
PHE   CZ    HZ     sing N N 439 
PHE   OXT   HXT    sing N N 440 
PLM   C1    O1     sing N N 441 
PLM   C1    O2     doub N N 442 
PLM   C1    C2     sing N N 443 
PLM   O1    H      sing N N 444 
PLM   C2    C3     sing N N 445 
PLM   C2    H21    sing N N 446 
PLM   C2    H22    sing N N 447 
PLM   C3    C4     sing N N 448 
PLM   C3    H31    sing N N 449 
PLM   C3    H32    sing N N 450 
PLM   C4    C5     sing N N 451 
PLM   C4    H41    sing N N 452 
PLM   C4    H42    sing N N 453 
PLM   C5    C6     sing N N 454 
PLM   C5    H51    sing N N 455 
PLM   C5    H52    sing N N 456 
PLM   C6    C7     sing N N 457 
PLM   C6    H61    sing N N 458 
PLM   C6    H62    sing N N 459 
PLM   C7    C8     sing N N 460 
PLM   C7    H71    sing N N 461 
PLM   C7    H72    sing N N 462 
PLM   C8    C9     sing N N 463 
PLM   C8    H81    sing N N 464 
PLM   C8    H82    sing N N 465 
PLM   C9    CA     sing N N 466 
PLM   C9    H91    sing N N 467 
PLM   C9    H92    sing N N 468 
PLM   CA    CB     sing N N 469 
PLM   CA    HA1    sing N N 470 
PLM   CA    HA2    sing N N 471 
PLM   CB    CC     sing N N 472 
PLM   CB    HB1    sing N N 473 
PLM   CB    HB2    sing N N 474 
PLM   CC    CD     sing N N 475 
PLM   CC    HC1    sing N N 476 
PLM   CC    HC2    sing N N 477 
PLM   CD    CE     sing N N 478 
PLM   CD    HD1    sing N N 479 
PLM   CD    HD2    sing N N 480 
PLM   CE    CF     sing N N 481 
PLM   CE    HE1    sing N N 482 
PLM   CE    HE2    sing N N 483 
PLM   CF    CG     sing N N 484 
PLM   CF    HF1    sing N N 485 
PLM   CF    HF2    sing N N 486 
PLM   CG    HG1    sing N N 487 
PLM   CG    HG2    sing N N 488 
PLM   CG    HG3    sing N N 489 
PRO   N     CA     sing N N 490 
PRO   N     CD     sing N N 491 
PRO   N     H      sing N N 492 
PRO   CA    C      sing N N 493 
PRO   CA    CB     sing N N 494 
PRO   CA    HA     sing N N 495 
PRO   C     O      doub N N 496 
PRO   C     OXT    sing N N 497 
PRO   CB    CG     sing N N 498 
PRO   CB    HB2    sing N N 499 
PRO   CB    HB3    sing N N 500 
PRO   CG    CD     sing N N 501 
PRO   CG    HG2    sing N N 502 
PRO   CG    HG3    sing N N 503 
PRO   CD    HD2    sing N N 504 
PRO   CD    HD3    sing N N 505 
PRO   OXT   HXT    sing N N 506 
SER   N     CA     sing N N 507 
SER   N     H      sing N N 508 
SER   N     H2     sing N N 509 
SER   CA    C      sing N N 510 
SER   CA    CB     sing N N 511 
SER   CA    HA     sing N N 512 
SER   C     O      doub N N 513 
SER   C     OXT    sing N N 514 
SER   CB    OG     sing N N 515 
SER   CB    HB2    sing N N 516 
SER   CB    HB3    sing N N 517 
SER   OG    HG     sing N N 518 
SER   OXT   HXT    sing N N 519 
SO4   S     O1     doub N N 520 
SO4   S     O2     doub N N 521 
SO4   S     O3     sing N N 522 
SO4   S     O4     sing N N 523 
THR   N     CA     sing N N 524 
THR   N     H      sing N N 525 
THR   N     H2     sing N N 526 
THR   CA    C      sing N N 527 
THR   CA    CB     sing N N 528 
THR   CA    HA     sing N N 529 
THR   C     O      doub N N 530 
THR   C     OXT    sing N N 531 
THR   CB    OG1    sing N N 532 
THR   CB    CG2    sing N N 533 
THR   CB    HB     sing N N 534 
THR   OG1   HG1    sing N N 535 
THR   CG2   HG21   sing N N 536 
THR   CG2   HG22   sing N N 537 
THR   CG2   HG23   sing N N 538 
THR   OXT   HXT    sing N N 539 
TRP   N     CA     sing N N 540 
TRP   N     H      sing N N 541 
TRP   N     H2     sing N N 542 
TRP   CA    C      sing N N 543 
TRP   CA    CB     sing N N 544 
TRP   CA    HA     sing N N 545 
TRP   C     O      doub N N 546 
TRP   C     OXT    sing N N 547 
TRP   CB    CG     sing N N 548 
TRP   CB    HB2    sing N N 549 
TRP   CB    HB3    sing N N 550 
TRP   CG    CD1    doub Y N 551 
TRP   CG    CD2    sing Y N 552 
TRP   CD1   NE1    sing Y N 553 
TRP   CD1   HD1    sing N N 554 
TRP   CD2   CE2    doub Y N 555 
TRP   CD2   CE3    sing Y N 556 
TRP   NE1   CE2    sing Y N 557 
TRP   NE1   HE1    sing N N 558 
TRP   CE2   CZ2    sing Y N 559 
TRP   CE3   CZ3    doub Y N 560 
TRP   CE3   HE3    sing N N 561 
TRP   CZ2   CH2    doub Y N 562 
TRP   CZ2   HZ2    sing N N 563 
TRP   CZ3   CH2    sing Y N 564 
TRP   CZ3   HZ3    sing N N 565 
TRP   CH2   HH2    sing N N 566 
TRP   OXT   HXT    sing N N 567 
TYR   N     CA     sing N N 568 
TYR   N     H      sing N N 569 
TYR   N     H2     sing N N 570 
TYR   CA    C      sing N N 571 
TYR   CA    CB     sing N N 572 
TYR   CA    HA     sing N N 573 
TYR   C     O      doub N N 574 
TYR   C     OXT    sing N N 575 
TYR   CB    CG     sing N N 576 
TYR   CB    HB2    sing N N 577 
TYR   CB    HB3    sing N N 578 
TYR   CG    CD1    doub Y N 579 
TYR   CG    CD2    sing Y N 580 
TYR   CD1   CE1    sing Y N 581 
TYR   CD1   HD1    sing N N 582 
TYR   CD2   CE2    doub Y N 583 
TYR   CD2   HD2    sing N N 584 
TYR   CE1   CZ     doub Y N 585 
TYR   CE1   HE1    sing N N 586 
TYR   CE2   CZ     sing Y N 587 
TYR   CE2   HE2    sing N N 588 
TYR   CZ    OH     sing N N 589 
TYR   OH    HH     sing N N 590 
TYR   OXT   HXT    sing N N 591 
VAL   N     CA     sing N N 592 
VAL   N     H      sing N N 593 
VAL   N     H2     sing N N 594 
VAL   CA    C      sing N N 595 
VAL   CA    CB     sing N N 596 
VAL   CA    HA     sing N N 597 
VAL   C     O      doub N N 598 
VAL   C     OXT    sing N N 599 
VAL   CB    CG1    sing N N 600 
VAL   CB    CG2    sing N N 601 
VAL   CB    HB     sing N N 602 
VAL   CG1   HG11   sing N N 603 
VAL   CG1   HG12   sing N N 604 
VAL   CG1   HG13   sing N N 605 
VAL   CG2   HG21   sing N N 606 
VAL   CG2   HG22   sing N N 607 
VAL   CG2   HG23   sing N N 608 
VAL   OXT   HXT    sing N N 609 
# 
_pdbx_audit_support.funding_organization   'Other private' 
_pdbx_audit_support.country                Switzerland 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_atom_sites.entry_id                    9G0U 
_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]   0.005631 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.005631 
_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]   0.005631 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C  
CL 
F  
N  
O  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N     . GLY   A 1 8   ? 15.015  -8.157  -4.731  1.00 85.94  ? 1   GLY   A N     1 
ATOM   2    C  CA    . GLY   A 1 8   ? 14.650  -8.841  -5.966  1.00 83.88  ? 1   GLY   A CA    1 
ATOM   3    C  C     . GLY   A 1 8   ? 15.828  -9.487  -6.673  1.00 85.17  ? 1   GLY   A C     1 
ATOM   4    O  O     . GLY   A 1 8   ? 15.871  -10.715 -6.821  1.00 83.68  ? 1   GLY   A O     1 
ATOM   5    N  N     . LYS   A 1 9   ? 16.785  -8.650  -7.133  1.00 80.07  ? 2   LYS   A N     1 
ATOM   6    C  CA    . LYS   A 1 9   ? 18.015  -9.064  -7.813  1.00 77.47  ? 2   LYS   A CA    1 
ATOM   7    C  C     . LYS   A 1 9   ? 18.874  -9.933  -6.886  1.00 82.14  ? 2   LYS   A C     1 
ATOM   8    O  O     . LYS   A 1 9   ? 19.288  -11.017 -7.286  1.00 80.96  ? 2   LYS   A O     1 
ATOM   9    C  CB    . LYS   A 1 9   ? 18.858  -7.843  -8.217  1.00 78.51  ? 2   LYS   A CB    1 
ATOM   10   C  CG    . LYS   A 1 9   ? 18.334  -7.026  -9.361  1.00 65.43  ? 2   LYS   A CG    1 
ATOM   11   C  CD    . LYS   A 1 9   ? 19.304  -5.913  -9.654  1.00 66.48  ? 2   LYS   A CD    1 
ATOM   12   C  CE    . LYS   A 1 9   ? 18.711  -4.870  -10.568 1.00 89.48  ? 2   LYS   A CE    1 
ATOM   13   N  NZ    . LYS   A 1 9   ? 19.712  -3.820  -10.922 1.00 105.61 ? 2   LYS   A NZ    1 
ATOM   14   N  N     . ASP   A 1 10  ? 19.139  -9.467  -5.647  1.00 80.03  ? 3   ASP   A N     1 
ATOM   15   C  CA    . ASP   A 1 10  ? 20.018  -10.181 -4.723  1.00 80.40  ? 3   ASP   A CA    1 
ATOM   16   C  C     . ASP   A 1 10  ? 19.377  -11.479 -4.152  1.00 83.70  ? 3   ASP   A C     1 
ATOM   17   O  O     . ASP   A 1 10  ? 20.081  -12.284 -3.531  1.00 84.59  ? 3   ASP   A O     1 
ATOM   18   C  CB    . ASP   A 1 10  ? 20.591  -9.241  -3.646  1.00 84.67  ? 3   ASP   A CB    1 
ATOM   19   C  CG    . ASP   A 1 10  ? 21.662  -8.285  -4.203  1.00 91.05  ? 3   ASP   A CG    1 
ATOM   20   O  OD1   . ASP   A 1 10  ? 21.284  -7.236  -4.787  1.00 94.70  ? 3   ASP   A OD1   1 
ATOM   21   O  OD2   . ASP   A 1 10  ? 22.880  -8.608  -4.081  1.00 89.03  ? 3   ASP   A OD2   1 
ATOM   22   N  N     . GLU   A 1 11  ? 18.108  -11.765 -4.518  1.00 78.18  ? 4   GLU   A N     1 
ATOM   23   C  CA    . GLU   A 1 11  ? 17.424  -13.033 -4.215  1.00 76.07  ? 4   GLU   A CA    1 
ATOM   24   C  C     . GLU   A 1 11  ? 18.044  -14.122 -5.107  1.00 73.78  ? 4   GLU   A C     1 
ATOM   25   O  O     . GLU   A 1 11  ? 17.866  -15.314 -4.841  1.00 74.51  ? 4   GLU   A O     1 
ATOM   26   C  CB    . GLU   A 1 11  ? 15.939  -12.955 -4.612  1.00 77.76  ? 4   GLU   A CB    1 
ATOM   27   C  CG    . GLU   A 1 11  ? 15.050  -12.050 -3.768  1.00 102.19 ? 4   GLU   A CG    1 
ATOM   28   C  CD    . GLU   A 1 11  ? 13.624  -11.900 -4.284  1.00 142.67 ? 4   GLU   A CD    1 
ATOM   29   O  OE1   . GLU   A 1 11  ? 13.190  -12.728 -5.120  1.00 146.60 ? 4   GLU   A OE1   1 
ATOM   30   O  OE2   . GLU   A 1 11  ? 12.939  -10.946 -3.848  1.00 143.26 ? 4   GLU   A OE2   1 
ATOM   31   N  N     . VAL   A 1 12  ? 18.676  -13.703 -6.238  1.00 62.84  ? 5   VAL   A N     1 
ATOM   32   C  CA    . VAL   A 1 12  ? 19.301  -14.590 -7.211  1.00 58.02  ? 5   VAL   A CA    1 
ATOM   33   C  C     . VAL   A 1 12  ? 20.813  -14.252 -7.440  1.00 55.57  ? 5   VAL   A C     1 
ATOM   34   O  O     . VAL   A 1 12  ? 21.420  -14.850 -8.315  1.00 55.17  ? 5   VAL   A O     1 
ATOM   35   C  CB    . VAL   A 1 12  ? 18.489  -14.670 -8.550  1.00 60.64  ? 5   VAL   A CB    1 
ATOM   36   C  CG1   . VAL   A 1 12  ? 17.074  -15.196 -8.326  1.00 59.54  ? 5   VAL   A CG1   1 
ATOM   37   C  CG2   . VAL   A 1 12  ? 18.473  -13.345 -9.320  1.00 60.88  ? 5   VAL   A CG2   1 
ATOM   38   N  N     . ALA   A 1 13  ? 21.410  -13.324 -6.659  1.00 48.47  ? 6   ALA   A N     1 
ATOM   39   C  CA    . ALA   A 1 13  ? 22.792  -12.872 -6.858  1.00 48.11  ? 6   ALA   A CA    1 
ATOM   40   C  C     . ALA   A 1 13  ? 23.886  -13.965 -6.682  1.00 52.29  ? 6   ALA   A C     1 
ATOM   41   O  O     . ALA   A 1 13  ? 24.929  -13.890 -7.351  1.00 51.94  ? 6   ALA   A O     1 
ATOM   42   C  CB    . ALA   A 1 13  ? 23.093  -11.658 -5.998  1.00 49.93  ? 6   ALA   A CB    1 
ATOM   43   N  N     . LEU   A 1 14  ? 23.620  -14.981 -5.846  1.00 48.78  ? 7   LEU   A N     1 
ATOM   44   C  CA    . LEU   A 1 14  ? 24.485  -16.127 -5.566  1.00 50.85  ? 7   LEU   A CA    1 
ATOM   45   C  C     . LEU   A 1 14  ? 24.468  -17.078 -6.747  1.00 53.06  ? 7   LEU   A C     1 
ATOM   46   O  O     . LEU   A 1 14  ? 25.509  -17.612 -7.106  1.00 54.80  ? 7   LEU   A O     1 
ATOM   47   C  CB    . LEU   A 1 14  ? 23.955  -16.857 -4.336  1.00 52.90  ? 7   LEU   A CB    1 
ATOM   48   C  CG    . LEU   A 1 14  ? 24.922  -17.296 -3.282  1.00 61.66  ? 7   LEU   A CG    1 
ATOM   49   C  CD1   . LEU   A 1 14  ? 25.698  -16.109 -2.724  1.00 65.06  ? 7   LEU   A CD1   1 
ATOM   50   C  CD2   . LEU   A 1 14  ? 24.170  -17.989 -2.150  1.00 62.94  ? 7   LEU   A CD2   1 
ATOM   51   N  N     . LEU   A 1 15  ? 23.289  -17.293 -7.359  1.00 47.07  ? 8   LEU   A N     1 
ATOM   52   C  CA    . LEU   A 1 15  ? 23.127  -18.092 -8.567  1.00 44.27  ? 8   LEU   A CA    1 
ATOM   53   C  C     . LEU   A 1 15  ? 23.850  -17.421 -9.717  1.00 45.55  ? 8   LEU   A C     1 
ATOM   54   O  O     . LEU   A 1 15  ? 24.496  -18.113 -10.493 1.00 46.20  ? 8   LEU   A O     1 
ATOM   55   C  CB    . LEU   A 1 15  ? 21.651  -18.262 -8.938  1.00 43.38  ? 8   LEU   A CB    1 
ATOM   56   C  CG    . LEU   A 1 15  ? 20.721  -18.851 -7.883  1.00 47.12  ? 8   LEU   A CG    1 
ATOM   57   C  CD1   . LEU   A 1 15  ? 19.250  -18.827 -8.392  1.00 44.82  ? 8   LEU   A CD1   1 
ATOM   58   C  CD2   . LEU   A 1 15  ? 21.193  -20.248 -7.435  1.00 47.04  ? 8   LEU   A CD2   1 
ATOM   59   N  N     . ALA   A 1 16  ? 23.758  -16.075 -9.823  1.00 40.89  ? 9   ALA   A N     1 
ATOM   60   C  CA    . ALA   A 1 16  ? 24.438  -15.291 -10.857 1.00 39.27  ? 9   ALA   A CA    1 
ATOM   61   C  C     . ALA   A 1 16  ? 25.943  -15.352 -10.703 1.00 44.95  ? 9   ALA   A C     1 
ATOM   62   O  O     . ALA   A 1 16  ? 26.653  -15.362 -11.701 1.00 46.05  ? 9   ALA   A O     1 
ATOM   63   C  CB    . ALA   A 1 16  ? 23.959  -13.857 -10.828 1.00 39.48  ? 9   ALA   A CB    1 
ATOM   64   N  N     . ALA   A 1 17  ? 26.432  -15.401 -9.450  1.00 44.35  ? 10  ALA   A N     1 
ATOM   65   C  CA    . ALA   A 1 17  ? 27.851  -15.481 -9.089  1.00 45.33  ? 10  ALA   A CA    1 
ATOM   66   C  C     . ALA   A 1 17  ? 28.430  -16.861 -9.456  1.00 47.77  ? 10  ALA   A C     1 
ATOM   67   O  O     . ALA   A 1 17  ? 29.512  -16.928 -10.041 1.00 48.02  ? 10  ALA   A O     1 
ATOM   68   C  CB    . ALA   A 1 17  ? 28.020  -15.206 -7.604  1.00 47.41  ? 10  ALA   A CB    1 
ATOM   69   N  N     . VAL   A 1 18  ? 27.693  -17.951 -9.139  1.00 43.84  ? 11  VAL   A N     1 
ATOM   70   C  CA    . VAL   A 1 18  ? 28.064  -19.340 -9.471  1.00 43.73  ? 11  VAL   A CA    1 
ATOM   71   C  C     . VAL   A 1 18  ? 28.085  -19.505 -11.016 1.00 47.34  ? 11  VAL   A C     1 
ATOM   72   O  O     . VAL   A 1 18  ? 29.028  -20.109 -11.541 1.00 47.03  ? 11  VAL   A O     1 
ATOM   73   C  CB    . VAL   A 1 18  ? 27.206  -20.409 -8.704  1.00 46.88  ? 11  VAL   A CB    1 
ATOM   74   C  CG1   . VAL   A 1 18  ? 27.451  -21.844 -9.205  1.00 45.59  ? 11  VAL   A CG1   1 
ATOM   75   C  CG2   . VAL   A 1 18  ? 27.437  -20.319 -7.195  1.00 47.74  ? 11  VAL   A CG2   1 
ATOM   76   N  N     . THR   A 1 19  ? 27.092  -18.893 -11.736 1.00 43.80  ? 12  THR   A N     1 
ATOM   77   C  CA    . THR   A 1 19  ? 26.978  -18.873 -13.217 1.00 42.97  ? 12  THR   A CA    1 
ATOM   78   C  C     . THR   A 1 19  ? 28.249  -18.265 -13.822 1.00 47.91  ? 12  THR   A C     1 
ATOM   79   O  O     . THR   A 1 19  ? 28.844  -18.854 -14.733 1.00 47.65  ? 12  THR   A O     1 
ATOM   80   C  CB    . THR   A 1 19  ? 25.722  -18.070 -13.662 1.00 46.38  ? 12  THR   A CB    1 
ATOM   81   O  OG1   . THR   A 1 19  ? 24.571  -18.770 -13.227 1.00 42.00  ? 12  THR   A OG1   1 
ATOM   82   C  CG2   . THR   A 1 19  ? 25.632  -17.864 -15.185 1.00 42.30  ? 12  THR   A CG2   1 
ATOM   83   N  N     . LEU   A 1 20  ? 28.653  -17.088 -13.292 1.00 43.51  ? 13  LEU   A N     1 
ATOM   84   C  CA    . LEU   A 1 20  ? 29.804  -16.352 -13.752 1.00 44.34  ? 13  LEU   A CA    1 
ATOM   85   C  C     . LEU   A 1 20  ? 31.109  -17.139 -13.552 1.00 51.45  ? 13  LEU   A C     1 
ATOM   86   O  O     . LEU   A 1 20  ? 31.984  -17.139 -14.431 1.00 52.93  ? 13  LEU   A O     1 
ATOM   87   C  CB    . LEU   A 1 20  ? 29.847  -14.933 -13.130 1.00 45.31  ? 13  LEU   A CB    1 
ATOM   88   C  CG    . LEU   A 1 20  ? 30.925  -13.998 -13.746 1.00 52.10  ? 13  LEU   A CG    1 
ATOM   89   C  CD1   . LEU   A 1 20  ? 30.666  -13.706 -15.234 1.00 52.51  ? 13  LEU   A CD1   1 
ATOM   90   C  CD2   . LEU   A 1 20  ? 31.086  -12.752 -12.967 1.00 54.19  ? 13  LEU   A CD2   1 
ATOM   91   N  N     . LEU   A 1 21  ? 31.210  -17.836 -12.427 1.00 48.76  ? 14  LEU   A N     1 
ATOM   92   C  CA    . LEU   A 1 21  ? 32.335  -18.685 -12.078 1.00 50.62  ? 14  LEU   A CA    1 
ATOM   93   C  C     . LEU   A 1 21  ? 32.451  -19.875 -13.051 1.00 51.10  ? 14  LEU   A C     1 
ATOM   94   O  O     . LEU   A 1 21  ? 33.556  -20.266 -13.411 1.00 52.80  ? 14  LEU   A O     1 
ATOM   95   C  CB    . LEU   A 1 21  ? 32.184  -19.137 -10.600 1.00 52.71  ? 14  LEU   A CB    1 
ATOM   96   C  CG    . LEU   A 1 21  ? 33.366  -19.902 -9.974  1.00 61.02  ? 14  LEU   A CG    1 
ATOM   97   C  CD1   . LEU   A 1 21  ? 34.634  -19.046 -9.935  1.00 63.90  ? 14  LEU   A CD1   1 
ATOM   98   C  CD2   . LEU   A 1 21  ? 33.034  -20.356 -8.584  1.00 63.62  ? 14  LEU   A CD2   1 
ATOM   99   N  N     . GLY   A 1 22  ? 31.309  -20.395 -13.511 1.00 44.71  ? 15  GLY   A N     1 
ATOM   100  C  CA    . GLY   A 1 22  ? 31.229  -21.455 -14.513 1.00 41.73  ? 15  GLY   A CA    1 
ATOM   101  C  C     . GLY   A 1 22  ? 31.687  -20.963 -15.873 1.00 45.27  ? 15  GLY   A C     1 
ATOM   102  O  O     . GLY   A 1 22  ? 32.358  -21.693 -16.598 1.00 47.88  ? 15  GLY   A O     1 
ATOM   103  N  N     . VAL   A 1 23  ? 31.338  -19.713 -16.235 1.00 40.16  ? 16  VAL   A N     1 
ATOM   104  C  CA    . VAL   A 1 23  ? 31.768  -19.089 -17.489 1.00 40.08  ? 16  VAL   A CA    1 
ATOM   105  C  C     . VAL   A 1 23  ? 33.314  -18.979 -17.462 1.00 46.85  ? 16  VAL   A C     1 
ATOM   106  O  O     . VAL   A 1 23  ? 33.982  -19.317 -18.436 1.00 49.35  ? 16  VAL   A O     1 
ATOM   107  C  CB    . VAL   A 1 23  ? 31.043  -17.712 -17.692 1.00 42.03  ? 16  VAL   A CB    1 
ATOM   108  C  CG1   . VAL   A 1 23  ? 31.652  -16.903 -18.840 1.00 40.75  ? 16  VAL   A CG1   1 
ATOM   109  C  CG2   . VAL   A 1 23  ? 29.520  -17.900 -17.875 1.00 39.69  ? 16  VAL   A CG2   1 
ATOM   110  N  N     . LEU   A 1 24  ? 33.865  -18.540 -16.329 1.00 44.21  ? 17  LEU   A N     1 
ATOM   111  C  CA    . LEU   A 1 24  ? 35.298  -18.387 -16.090 1.00 45.86  ? 17  LEU   A CA    1 
ATOM   112  C  C     . LEU   A 1 24  ? 36.033  -19.725 -16.161 1.00 50.61  ? 17  LEU   A C     1 
ATOM   113  O  O     . LEU   A 1 24  ? 37.126  -19.769 -16.722 1.00 50.54  ? 17  LEU   A O     1 
ATOM   114  C  CB    . LEU   A 1 24  ? 35.563  -17.663 -14.749 1.00 46.95  ? 17  LEU   A CB    1 
ATOM   115  C  CG    . LEU   A 1 24  ? 35.288  -16.138 -14.733 1.00 52.39  ? 17  LEU   A CG    1 
ATOM   116  C  CD1   . LEU   A 1 24  ? 35.530  -15.577 -13.347 1.00 53.61  ? 17  LEU   A CD1   1 
ATOM   117  C  CD2   . LEU   A 1 24  ? 36.195  -15.379 -15.736 1.00 55.29  ? 17  LEU   A CD2   1 
ATOM   118  N  N     . LEU   A 1 25  ? 35.417  -20.818 -15.629 1.00 46.45  ? 18  LEU   A N     1 
ATOM   119  C  CA    . LEU   A 1 25  ? 35.961  -22.173 -15.706 1.00 46.76  ? 18  LEU   A CA    1 
ATOM   120  C  C     . LEU   A 1 25  ? 36.075  -22.637 -17.166 1.00 49.12  ? 18  LEU   A C     1 
ATOM   121  O  O     . LEU   A 1 25  ? 37.103  -23.197 -17.552 1.00 51.38  ? 18  LEU   A O     1 
ATOM   122  C  CB    . LEU   A 1 25  ? 35.119  -23.163 -14.876 1.00 46.34  ? 18  LEU   A CB    1 
ATOM   123  C  CG    . LEU   A 1 25  ? 35.699  -24.585 -14.727 1.00 50.77  ? 18  LEU   A CG    1 
ATOM   124  C  CD1   . LEU   A 1 25  ? 37.072  -24.594 -14.010 1.00 51.90  ? 18  LEU   A CD1   1 
ATOM   125  C  CD2   . LEU   A 1 25  ? 34.686  -25.527 -14.086 1.00 48.23  ? 18  LEU   A CD2   1 
ATOM   126  N  N     . GLN   A 1 26  ? 35.031  -22.372 -17.974 1.00 42.47  ? 19  GLN   A N     1 
ATOM   127  C  CA    . GLN   A 1 26  ? 34.962  -22.639 -19.410 1.00 41.15  ? 19  GLN   A CA    1 
ATOM   128  C  C     . GLN   A 1 26  ? 36.062  -21.886 -20.138 1.00 48.36  ? 19  GLN   A C     1 
ATOM   129  O  O     . GLN   A 1 26  ? 36.749  -22.499 -20.960 1.00 51.01  ? 19  GLN   A O     1 
ATOM   130  C  CB    . GLN   A 1 26  ? 33.587  -22.290 -19.985 1.00 40.91  ? 19  GLN   A CB    1 
ATOM   131  C  CG    . GLN   A 1 26  ? 32.421  -23.111 -19.425 1.00 50.80  ? 19  GLN   A CG    1 
ATOM   132  C  CD    . GLN   A 1 26  ? 32.535  -24.605 -19.625 1.00 67.33  ? 19  GLN   A CD    1 
ATOM   133  O  OE1   . GLN   A 1 26  ? 32.633  -25.382 -18.678 1.00 68.12  ? 19  GLN   A OE1   1 
ATOM   134  N  NE2   . GLN   A 1 26  ? 32.438  -25.048 -20.844 1.00 65.08  ? 19  GLN   A NE2   1 
ATOM   135  N  N     . ALA   A 1 27  ? 36.319  -20.600 -19.767 1.00 45.81  ? 20  ALA   A N     1 
ATOM   136  C  CA    . ALA   A 1 27  ? 37.421  -19.816 -20.363 1.00 46.27  ? 20  ALA   A CA    1 
ATOM   137  C  C     . ALA   A 1 27  ? 38.754  -20.484 -20.051 1.00 52.13  ? 20  ALA   A C     1 
ATOM   138  O  O     . ALA   A 1 27  ? 39.597  -20.550 -20.934 1.00 53.60  ? 20  ALA   A O     1 
ATOM   139  C  CB    . ALA   A 1 27  ? 37.412  -18.382 -19.866 1.00 46.88  ? 20  ALA   A CB    1 
ATOM   140  N  N     . TYR   A 1 28  ? 38.908  -21.063 -18.834 1.00 48.79  ? 21  TYR   A N     1 
ATOM   141  C  CA    . TYR   A 1 28  ? 40.123  -21.769 -18.409 1.00 49.74  ? 21  TYR   A CA    1 
ATOM   142  C  C     . TYR   A 1 28  ? 40.372  -23.021 -19.251 1.00 53.89  ? 21  TYR   A C     1 
ATOM   143  O  O     . TYR   A 1 28  ? 41.501  -23.251 -19.670 1.00 55.66  ? 21  TYR   A O     1 
ATOM   144  C  CB    . TYR   A 1 28  ? 40.111  -22.101 -16.895 1.00 50.95  ? 21  TYR   A CB    1 
ATOM   145  C  CG    . TYR   A 1 28  ? 41.261  -22.993 -16.468 1.00 55.65  ? 21  TYR   A CG    1 
ATOM   146  C  CD1   . TYR   A 1 28  ? 42.569  -22.503 -16.412 1.00 59.93  ? 21  TYR   A CD1   1 
ATOM   147  C  CD2   . TYR   A 1 28  ? 41.056  -24.337 -16.174 1.00 56.20  ? 21  TYR   A CD2   1 
ATOM   148  C  CE1   . TYR   A 1 28  ? 43.635  -23.328 -16.055 1.00 62.37  ? 21  TYR   A CE1   1 
ATOM   149  C  CE2   . TYR   A 1 28  ? 42.116  -25.171 -15.828 1.00 58.90  ? 21  TYR   A CE2   1 
ATOM   150  C  CZ    . TYR   A 1 28  ? 43.405  -24.664 -15.771 1.00 69.16  ? 21  TYR   A CZ    1 
ATOM   151  O  OH    . TYR   A 1 28  ? 44.443  -25.484 -15.400 1.00 73.14  ? 21  TYR   A OH    1 
ATOM   152  N  N     . PHE   A 1 29  ? 39.317  -23.830 -19.479 1.00 47.87  ? 22  PHE   A N     1 
ATOM   153  C  CA    . PHE   A 1 29  ? 39.354  -25.053 -20.274 1.00 46.05  ? 22  PHE   A CA    1 
ATOM   154  C  C     . PHE   A 1 29  ? 39.768  -24.736 -21.700 1.00 53.51  ? 22  PHE   A C     1 
ATOM   155  O  O     . PHE   A 1 29  ? 40.615  -25.418 -22.264 1.00 56.18  ? 22  PHE   A O     1 
ATOM   156  C  CB    . PHE   A 1 29  ? 37.976  -25.728 -20.242 1.00 44.63  ? 22  PHE   A CB    1 
ATOM   157  C  CG    . PHE   A 1 29  ? 37.575  -26.300 -18.903 1.00 43.78  ? 22  PHE   A CG    1 
ATOM   158  C  CD1   . PHE   A 1 29  ? 38.532  -26.571 -17.925 1.00 45.38  ? 22  PHE   A CD1   1 
ATOM   159  C  CD2   . PHE   A 1 29  ? 36.236  -26.546 -18.607 1.00 43.74  ? 22  PHE   A CD2   1 
ATOM   160  C  CE1   . PHE   A 1 29  ? 38.163  -27.107 -16.699 1.00 45.78  ? 22  PHE   A CE1   1 
ATOM   161  C  CE2   . PHE   A 1 29  ? 35.871  -27.085 -17.384 1.00 46.19  ? 22  PHE   A CE2   1 
ATOM   162  C  CZ    . PHE   A 1 29  ? 36.844  -27.403 -16.451 1.00 44.83  ? 22  PHE   A CZ    1 
ATOM   163  N  N     . SER   A 1 30  ? 39.205  -23.649 -22.245 1.00 50.47  ? 23  SER   A N     1 
ATOM   164  C  CA    . SER   A 1 30  ? 39.474  -23.090 -23.568 1.00 50.53  ? 23  SER   A CA    1 
ATOM   165  C  C     . SER   A 1 30  ? 40.969  -22.682 -23.717 1.00 58.70  ? 23  SER   A C     1 
ATOM   166  O  O     . SER   A 1 30  ? 41.570  -22.956 -24.758 1.00 62.39  ? 23  SER   A O     1 
ATOM   167  C  CB    . SER   A 1 30  ? 38.539  -21.908 -23.812 1.00 50.32  ? 23  SER   A CB    1 
ATOM   168  O  OG    . SER   A 1 30  ? 38.998  -21.082 -24.867 1.00 60.38  ? 23  SER   A OG    1 
ATOM   169  N  N     . LEU   A 1 31  ? 41.560  -22.063 -22.673 1.00 54.72  ? 24  LEU   A N     1 
ATOM   170  C  CA    . LEU   A 1 31  ? 42.963  -21.643 -22.601 1.00 56.31  ? 24  LEU   A CA    1 
ATOM   171  C  C     . LEU   A 1 31  ? 43.888  -22.871 -22.672 1.00 62.57  ? 24  LEU   A C     1 
ATOM   172  O  O     . LEU   A 1 31  ? 44.912  -22.828 -23.352 1.00 64.00  ? 24  LEU   A O     1 
ATOM   173  C  CB    . LEU   A 1 31  ? 43.176  -20.857 -21.291 1.00 56.36  ? 24  LEU   A CB    1 
ATOM   174  C  CG    . LEU   A 1 31  ? 44.596  -20.406 -20.923 1.00 61.68  ? 24  LEU   A CG    1 
ATOM   175  C  CD1   . LEU   A 1 31  ? 44.980  -19.135 -21.655 1.00 61.44  ? 24  LEU   A CD1   1 
ATOM   176  C  CD2   . LEU   A 1 31  ? 44.683  -20.157 -19.447 1.00 63.11  ? 24  LEU   A CD2   1 
ATOM   177  N  N     . GLN   A 1 32  ? 43.488  -23.976 -22.007 1.00 59.37  ? 25  GLN   A N     1 
ATOM   178  C  CA    . GLN   A 1 32  ? 44.211  -25.258 -21.976 1.00 59.64  ? 25  GLN   A CA    1 
ATOM   179  C  C     . GLN   A 1 32  ? 44.252  -25.937 -23.333 1.00 62.41  ? 25  GLN   A C     1 
ATOM   180  O  O     . GLN   A 1 32  ? 45.289  -26.481 -23.692 1.00 65.76  ? 25  GLN   A O     1 
ATOM   181  C  CB    . GLN   A 1 32  ? 43.633  -26.207 -20.906 1.00 60.06  ? 25  GLN   A CB    1 
ATOM   182  C  CG    . GLN   A 1 32  ? 43.720  -25.664 -19.491 1.00 66.21  ? 25  GLN   A CG    1 
ATOM   183  C  CD    . GLN   A 1 32  ? 45.106  -25.202 -19.153 1.00 82.70  ? 25  GLN   A CD    1 
ATOM   184  O  OE1   . GLN   A 1 32  ? 46.009  -26.008 -18.942 1.00 84.02  ? 25  GLN   A OE1   1 
ATOM   185  N  NE2   . GLN   A 1 32  ? 45.312  -23.898 -19.126 1.00 73.92  ? 25  GLN   A NE2   1 
ATOM   186  N  N     . VAL   A 1 33  ? 43.140  -25.907 -24.082 1.00 56.15  ? 26  VAL   A N     1 
ATOM   187  C  CA    . VAL   A 1 33  ? 43.056  -26.456 -25.432 1.00 55.98  ? 26  VAL   A CA    1 
ATOM   188  C  C     . VAL   A 1 33  ? 43.924  -25.610 -26.409 1.00 65.62  ? 26  VAL   A C     1 
ATOM   189  O  O     . VAL   A 1 33  ? 44.615  -26.187 -27.246 1.00 68.11  ? 26  VAL   A O     1 
ATOM   190  C  CB    . VAL   A 1 33  ? 41.596  -26.626 -25.906 1.00 55.59  ? 26  VAL   A CB    1 
ATOM   191  C  CG1   . VAL   A 1 33  ? 41.549  -27.184 -27.335 1.00 55.80  ? 26  VAL   A CG1   1 
ATOM   192  C  CG2   . VAL   A 1 33  ? 40.826  -27.531 -24.949 1.00 52.99  ? 26  VAL   A CG2   1 
ATOM   193  N  N     . ILE   A 1 34  ? 43.934  -24.260 -26.256 1.00 62.77  ? 27  ILE   A N     1 
ATOM   194  C  CA    . ILE   A 1 34  ? 44.779  -23.348 -27.054 1.00 63.56  ? 27  ILE   A CA    1 
ATOM   195  C  C     . ILE   A 1 34  ? 46.256  -23.724 -26.848 1.00 71.96  ? 27  ILE   A C     1 
ATOM   196  O  O     . ILE   A 1 34  ? 47.029  -23.740 -27.817 1.00 75.13  ? 27  ILE   A O     1 
ATOM   197  C  CB    . ILE   A 1 34  ? 44.492  -21.846 -26.708 1.00 65.22  ? 27  ILE   A CB    1 
ATOM   198  C  CG1   . ILE   A 1 34  ? 43.137  -21.389 -27.264 1.00 62.59  ? 27  ILE   A CG1   1 
ATOM   199  C  CG2   . ILE   A 1 34  ? 45.625  -20.895 -27.160 1.00 66.72  ? 27  ILE   A CG2   1 
ATOM   200  C  CD1   . ILE   A 1 34  ? 42.518  -20.196 -26.512 1.00 65.10  ? 27  ILE   A CD1   1 
ATOM   201  N  N     . SER   A 1 35  ? 46.635  -24.048 -25.593 1.00 68.80  ? 28  SER   A N     1 
ATOM   202  C  CA    . SER   A 1 35  ? 48.001  -24.450 -25.235 1.00 70.34  ? 28  SER   A CA    1 
ATOM   203  C  C     . SER   A 1 35  ? 48.387  -25.796 -25.855 1.00 75.88  ? 28  SER   A C     1 
ATOM   204  O  O     . SER   A 1 35  ? 49.502  -25.919 -26.374 1.00 78.15  ? 28  SER   A O     1 
ATOM   205  C  CB    . SER   A 1 35  ? 48.189  -24.470 -23.721 1.00 72.56  ? 28  SER   A CB    1 
ATOM   206  O  OG    . SER   A 1 35  ? 48.119  -23.151 -23.204 1.00 81.79  ? 28  SER   A OG    1 
ATOM   207  N  N     . ALA   A 1 36  ? 47.466  -26.791 -25.817 1.00 71.31  ? 29  ALA   A N     1 
ATOM   208  C  CA    . ALA   A 1 36  ? 47.662  -28.123 -26.391 1.00 72.96  ? 29  ALA   A CA    1 
ATOM   209  C  C     . ALA   A 1 36  ? 47.834  -27.981 -27.897 1.00 83.22  ? 29  ALA   A C     1 
ATOM   210  O  O     . ALA   A 1 36  ? 48.675  -28.668 -28.492 1.00 85.03  ? 29  ALA   A O     1 
ATOM   211  C  CB    . ALA   A 1 36  ? 46.469  -29.008 -26.089 1.00 71.78  ? 29  ALA   A CB    1 
ATOM   212  N  N     . ARG   A 1 37  ? 47.071  -27.029 -28.501 1.00 80.53  ? 30  ARG   A N     1 
ATOM   213  C  CA    . ARG   A 1 37  ? 47.123  -26.716 -29.926 1.00 81.34  ? 30  ARG   A CA    1 
ATOM   214  C  C     . ARG   A 1 37  ? 48.506  -26.284 -30.382 1.00 91.28  ? 30  ARG   A C     1 
ATOM   215  O  O     . ARG   A 1 37  ? 48.887  -26.643 -31.491 1.00 93.57  ? 30  ARG   A O     1 
ATOM   216  C  CB    . ARG   A 1 37  ? 46.047  -25.708 -30.321 1.00 76.02  ? 30  ARG   A CB    1 
ATOM   217  C  CG    . ARG   A 1 37  ? 44.730  -26.400 -30.541 1.00 71.81  ? 30  ARG   A CG    1 
ATOM   218  C  CD    . ARG   A 1 37  ? 43.739  -25.582 -31.328 1.00 68.15  ? 30  ARG   A CD    1 
ATOM   219  N  NE    . ARG   A 1 37  ? 42.526  -26.372 -31.522 1.00 74.77  ? 30  ARG   A NE    1 
ATOM   220  C  CZ    . ARG   A 1 37  ? 42.188  -26.973 -32.656 1.00 91.05  ? 30  ARG   A CZ    1 
ATOM   221  N  NH1   . ARG   A 1 37  ? 41.077  -27.693 -32.723 1.00 89.91  ? 30  ARG   A NH1   1 
ATOM   222  N  NH2   . ARG   A 1 37  ? 42.938  -26.831 -33.739 1.00 75.51  ? 30  ARG   A NH2   1 
ATOM   223  N  N     . ARG   A 1 38  ? 49.272  -25.565 -29.529 1.00 90.75  ? 31  ARG   A N     1 
ATOM   224  C  CA    . ARG   A 1 38  ? 50.655  -25.170 -29.829 1.00 93.98  ? 31  ARG   A CA    1 
ATOM   225  C  C     . ARG   A 1 38  ? 51.570  -26.366 -29.583 1.00 100.55 ? 31  ARG   A C     1 
ATOM   226  O  O     . ARG   A 1 38  ? 52.294  -26.769 -30.495 1.00 102.98 ? 31  ARG   A O     1 
ATOM   227  C  CB    . ARG   A 1 38  ? 51.110  -23.955 -29.000 1.00 96.41  ? 31  ARG   A CB    1 
ATOM   228  C  CG    . ARG   A 1 38  ? 50.409  -22.651 -29.373 1.00 108.27 ? 31  ARG   A CG    1 
ATOM   229  C  CD    . ARG   A 1 38  ? 51.109  -21.436 -28.790 1.00 125.30 ? 31  ARG   A CD    1 
ATOM   230  N  NE    . ARG   A 1 38  ? 50.403  -20.198 -29.129 1.00 141.28 ? 31  ARG   A NE    1 
ATOM   231  C  CZ    . ARG   A 1 38  ? 49.546  -19.571 -28.327 1.00 157.93 ? 31  ARG   A CZ    1 
ATOM   232  N  NH1   . ARG   A 1 38  ? 49.293  -20.044 -27.110 1.00 146.21 ? 31  ARG   A NH1   1 
ATOM   233  N  NH2   . ARG   A 1 38  ? 48.945  -18.457 -28.728 1.00 142.75 ? 31  ARG   A NH2   1 
ATOM   234  N  N     . ALA   A 1 39  ? 51.466  -26.984 -28.385 1.00 96.83  ? 32  ALA   A N     1 
ATOM   235  C  CA    . ALA   A 1 39  ? 52.239  -28.154 -27.939 1.00 98.61  ? 32  ALA   A CA    1 
ATOM   236  C  C     . ALA   A 1 39  ? 52.172  -29.399 -28.872 1.00 103.99 ? 32  ALA   A C     1 
ATOM   237  O  O     . ALA   A 1 39  ? 53.054  -30.260 -28.791 1.00 106.01 ? 32  ALA   A O     1 
ATOM   238  C  CB    . ALA   A 1 39  ? 51.835  -28.537 -26.520 1.00 98.25  ? 32  ALA   A CB    1 
ATOM   239  N  N     . PHE   A 1 40  ? 51.141  -29.495 -29.734 1.00 98.51  ? 33  PHE   A N     1 
ATOM   240  C  CA    . PHE   A 1 40  ? 50.976  -30.604 -30.673 1.00 99.25  ? 33  PHE   A CA    1 
ATOM   241  C  C     . PHE   A 1 40  ? 50.786  -30.122 -32.124 1.00 105.20 ? 33  PHE   A C     1 
ATOM   242  O  O     . PHE   A 1 40  ? 50.396  -30.911 -33.000 1.00 104.91 ? 33  PHE   A O     1 
ATOM   243  C  CB    . PHE   A 1 40  ? 49.850  -31.545 -30.223 1.00 99.62  ? 33  PHE   A CB    1 
ATOM   244  C  CG    . PHE   A 1 40  ? 50.075  -32.151 -28.860 1.00 101.97 ? 33  PHE   A CG    1 
ATOM   245  C  CD1   . PHE   A 1 40  ? 50.941  -33.228 -28.692 1.00 108.15 ? 33  PHE   A CD1   1 
ATOM   246  C  CD2   . PHE   A 1 40  ? 49.433  -31.640 -27.740 1.00 102.07 ? 33  PHE   A CD2   1 
ATOM   247  C  CE1   . PHE   A 1 40  ? 51.138  -33.799 -27.431 1.00 109.42 ? 33  PHE   A CE1   1 
ATOM   248  C  CE2   . PHE   A 1 40  ? 49.640  -32.202 -26.479 1.00 105.50 ? 33  PHE   A CE2   1 
ATOM   249  C  CZ    . PHE   A 1 40  ? 50.502  -33.270 -26.332 1.00 106.22 ? 33  PHE   A CZ    1 
ATOM   250  N  N     . ARG   A 1 41  ? 51.102  -28.823 -32.379 1.00 103.20 ? 34  ARG   A N     1 
ATOM   251  C  CA    . ARG   A 1 41  ? 51.013  -28.158 -33.689 1.00 104.12 ? 34  ARG   A CA    1 
ATOM   252  C  C     . ARG   A 1 41  ? 49.658  -28.406 -34.388 1.00 106.61 ? 34  ARG   A C     1 
ATOM   253  O  O     . ARG   A 1 41  ? 49.627  -28.519 -35.625 1.00 108.17 ? 34  ARG   A O     1 
ATOM   254  C  CB    . ARG   A 1 41  ? 52.189  -28.578 -34.607 1.00 108.80 ? 34  ARG   A CB    1 
ATOM   255  C  CG    . ARG   A 1 41  ? 53.505  -27.848 -34.351 1.00 122.50 ? 34  ARG   A CG    1 
ATOM   256  C  CD    . ARG   A 1 41  ? 54.488  -28.658 -33.514 1.00 132.92 ? 34  ARG   A CD    1 
ATOM   257  N  NE    . ARG   A 1 41  ? 55.885  -28.321 -33.814 1.00 147.04 ? 34  ARG   A NE    1 
ATOM   258  C  CZ    . ARG   A 1 41  ? 56.520  -27.239 -33.367 1.00 164.38 ? 34  ARG   A CZ    1 
ATOM   259  N  NH1   . ARG   A 1 41  ? 57.788  -27.024 -33.694 1.00 152.25 ? 34  ARG   A NH1   1 
ATOM   260  N  NH2   . ARG   A 1 41  ? 55.888  -26.357 -32.600 1.00 152.77 ? 34  ARG   A NH2   1 
ATOM   261  N  N     . VAL   A 1 42  ? 48.612  -28.659 -33.582 1.00 98.24  ? 35  VAL   A N     1 
ATOM   262  C  CA    . VAL   A 1 42  ? 47.255  -28.858 -34.166 1.00 95.07  ? 35  VAL   A CA    1 
ATOM   263  C  C     . VAL   A 1 42  ? 46.798  -27.509 -34.702 1.00 98.80  ? 35  VAL   A C     1 
ATOM   264  O  O     . VAL   A 1 42  ? 46.866  -26.522 -33.974 1.00 97.91  ? 35  VAL   A O     1 
ATOM   265  C  CB    . VAL   A 1 42  ? 46.253  -29.480 -33.191 1.00 95.57  ? 35  VAL   A CB    1 
ATOM   266  C  CG1   . VAL   A 1 42  ? 45.013  -29.964 -33.920 1.00 93.93  ? 35  VAL   A CG1   1 
ATOM   267  C  CG2   . VAL   A 1 42  ? 46.886  -30.622 -32.417 1.00 96.46  ? 35  VAL   A CG2   1 
ATOM   268  N  N     . SER   A 1 43  ? 46.421  -27.481 -35.965 1.00 97.48  ? 36  SER   A N     1 
ATOM   269  C  CA    . SER   A 1 43  ? 46.089  -26.189 -36.583 1.00 97.99  ? 36  SER   A CA    1 
ATOM   270  C  C     . SER   A 1 43  ? 44.618  -26.175 -36.976 1.00 100.55 ? 36  SER   A C     1 
ATOM   271  O  O     . SER   A 1 43  ? 44.131  -27.134 -37.572 1.00 99.84  ? 36  SER   A O     1 
ATOM   272  C  CB    . SER   A 1 43  ? 46.974  -25.932 -37.752 1.00 105.22 ? 36  SER   A CB    1 
ATOM   273  O  OG    . SER   A 1 43  ? 46.487  -26.597 -38.906 1.00 118.74 ? 36  SER   A OG    1 
ATOM   274  N  N     . PRO   A 1 44  ? 43.886  -25.123 -36.597 1.00 96.88  ? 37  PRO   A N     1 
ATOM   275  C  CA    . PRO   A 1 44  ? 42.506  -25.013 -36.998 1.00 94.92  ? 37  PRO   A CA    1 
ATOM   276  C  C     . PRO   A 1 44  ? 42.440  -25.048 -38.520 1.00 95.32  ? 37  PRO   A C     1 
ATOM   277  O  O     . PRO   A 1 44  ? 43.151  -24.302 -39.128 1.00 95.47  ? 37  PRO   A O     1 
ATOM   278  C  CB    . PRO   A 1 44  ? 42.190  -23.618 -36.472 1.00 95.27  ? 37  PRO   A CB    1 
ATOM   279  C  CG    . PRO   A 1 44  ? 43.021  -23.510 -35.226 1.00 100.74 ? 37  PRO   A CG    1 
ATOM   280  C  CD    . PRO   A 1 44  ? 44.342  -24.076 -35.685 1.00 98.81  ? 37  PRO   A CD    1 
ATOM   281  N  N     . PRO   A 1 45  ? 41.600  -25.894 -39.134 1.00 88.77  ? 38  PRO   A N     1 
ATOM   282  C  CA    . PRO   A 1 45  ? 40.333  -26.290 -38.567 1.00 85.66  ? 38  PRO   A CA    1 
ATOM   283  C  C     . PRO   A 1 45  ? 40.306  -27.724 -38.051 1.00 87.89  ? 38  PRO   A C     1 
ATOM   284  O  O     . PRO   A 1 45  ? 39.275  -28.322 -38.089 1.00 85.82  ? 38  PRO   A O     1 
ATOM   285  C  CB    . PRO   A 1 45  ? 39.510  -26.268 -39.850 1.00 87.74  ? 38  PRO   A CB    1 
ATOM   286  C  CG    . PRO   A 1 45  ? 40.416  -26.864 -40.890 1.00 94.28  ? 38  PRO   A CG    1 
ATOM   287  C  CD    . PRO   A 1 45  ? 41.809  -26.465 -40.460 1.00 90.85  ? 38  PRO   A CD    1 
ATOM   288  N  N     . LEU   A 1 46  ? 41.411  -28.207 -37.505 1.00 85.30  ? 39  LEU   A N     1 
ATOM   289  C  CA    . LEU   A 1 46  ? 41.463  -29.644 -37.154 1.00 85.13  ? 39  LEU   A CA    1 
ATOM   290  C  C     . LEU   A 1 46  ? 41.258  -29.901 -35.664 1.00 87.28  ? 39  LEU   A C     1 
ATOM   291  O  O     . LEU   A 1 46  ? 41.692  -29.075 -34.870 1.00 85.71  ? 39  LEU   A O     1 
ATOM   292  C  CB    . LEU   A 1 46  ? 42.807  -30.192 -37.640 1.00 87.26  ? 39  LEU   A CB    1 
ATOM   293  C  CG    . LEU   A 1 46  ? 43.146  -29.903 -39.099 1.00 93.07  ? 39  LEU   A CG    1 
ATOM   294  C  CD1   . LEU   A 1 46  ? 44.601  -30.230 -39.385 1.00 94.71  ? 39  LEU   A CD1   1 
ATOM   295  C  CD2   . LEU   A 1 46  ? 42.233  -30.680 -40.031 1.00 94.92  ? 39  LEU   A CD2   1 
ATOM   296  N  N     . THR   A 1 47  ? 40.669  -31.049 -35.330 1.00 84.56  ? 40  THR   A N     1 
ATOM   297  C  CA    . THR   A 1 47  ? 40.354  -31.429 -33.932 1.00 82.90  ? 40  THR   A CA    1 
ATOM   298  C  C     . THR   A 1 47  ? 41.012  -32.768 -33.614 1.00 89.00  ? 40  THR   A C     1 
ATOM   299  O  O     . THR   A 1 47  ? 40.882  -33.229 -32.482 1.00 87.75  ? 40  THR   A O     1 
ATOM   300  C  CB    . THR   A 1 47  ? 38.839  -31.576 -33.767 1.00 87.80  ? 40  THR   A CB    1 
ATOM   301  O  OG1   . THR   A 1 47  ? 38.394  -32.721 -34.491 1.00 88.61  ? 40  THR   A OG1   1 
ATOM   302  C  CG2   . THR   A 1 47  ? 38.077  -30.356 -34.231 1.00 82.59  ? 40  THR   A CG2   1 
ATOM   303  N  N     . THR   A 1 48  ? 41.670  -33.377 -34.595 1.00 88.59  ? 41  THR   A N     1 
ATOM   304  C  CA    . THR   A 1 48  ? 42.342  -34.671 -34.429 1.00 90.08  ? 41  THR   A CA    1 
ATOM   305  C  C     . THR   A 1 48  ? 43.817  -34.410 -34.204 1.00 93.50  ? 41  THR   A C     1 
ATOM   306  O  O     . THR   A 1 48  ? 44.331  -33.369 -34.625 1.00 93.72  ? 41  THR   A O     1 
ATOM   307  C  CB    . THR   A 1 48  ? 42.086  -35.601 -35.626 1.00 102.33 ? 41  THR   A CB    1 
ATOM   308  O  OG1   . THR   A 1 48  ? 42.623  -35.006 -36.813 1.00 106.70 ? 41  THR   A OG1   1 
ATOM   309  C  CG2   . THR   A 1 48  ? 40.595  -35.947 -35.802 1.00 97.21  ? 41  THR   A CG2   1 
ATOM   310  N  N     . GLY   A 1 49  ? 44.471  -35.328 -33.510 1.00 89.24  ? 42  GLY   A N     1 
ATOM   311  C  CA    . GLY   A 1 49  ? 45.882  -35.198 -33.184 1.00 90.11  ? 42  GLY   A CA    1 
ATOM   312  C  C     . GLY   A 1 49  ? 46.354  -36.257 -32.211 1.00 95.83  ? 42  GLY   A C     1 
ATOM   313  O  O     . GLY   A 1 49  ? 45.727  -37.320 -32.115 1.00 96.49  ? 42  GLY   A O     1 
ATOM   314  N  N     . PRO   A 1 50  ? 47.465  -35.997 -31.473 1.00 92.68  ? 43  PRO   A N     1 
ATOM   315  C  CA    . PRO   A 1 50  ? 47.969  -36.997 -30.505 1.00 94.63  ? 43  PRO   A CA    1 
ATOM   316  C  C     . PRO   A 1 50  ? 46.953  -37.344 -29.400 1.00 101.01 ? 43  PRO   A C     1 
ATOM   317  O  O     . PRO   A 1 50  ? 46.151  -36.467 -29.035 1.00 99.23  ? 43  PRO   A O     1 
ATOM   318  C  CB    . PRO   A 1 50  ? 49.214  -36.323 -29.917 1.00 96.70  ? 43  PRO   A CB    1 
ATOM   319  C  CG    . PRO   A 1 50  ? 49.579  -35.278 -30.898 1.00 100.35 ? 43  PRO   A CG    1 
ATOM   320  C  CD    . PRO   A 1 50  ? 48.302  -34.784 -31.466 1.00 93.48  ? 43  PRO   A CD    1 
ATOM   321  N  N     . PRO   A 1 51  ? 46.968  -38.599 -28.852 1.00 99.53  ? 44  PRO   A N     1 
ATOM   322  C  CA    . PRO   A 1 51  ? 45.979  -38.973 -27.810 1.00 97.47  ? 44  PRO   A CA    1 
ATOM   323  C  C     . PRO   A 1 51  ? 45.801  -37.988 -26.645 1.00 96.27  ? 44  PRO   A C     1 
ATOM   324  O  O     . PRO   A 1 51  ? 44.673  -37.837 -26.193 1.00 93.85  ? 44  PRO   A O     1 
ATOM   325  C  CB    . PRO   A 1 51  ? 46.473  -40.337 -27.318 1.00 102.14 ? 44  PRO   A CB    1 
ATOM   326  C  CG    . PRO   A 1 51  ? 47.255  -40.897 -28.440 1.00 108.80 ? 44  PRO   A CG    1 
ATOM   327  C  CD    . PRO   A 1 51  ? 47.839  -39.744 -29.204 1.00 103.88 ? 44  PRO   A CD    1 
ATOM   328  N  N     . GLU   A 1 52  ? 46.890  -37.306 -26.191 1.00 91.70  ? 45  GLU   A N     1 
ATOM   329  C  CA    . GLU   A 1 52  ? 46.891  -36.308 -25.108 1.00 89.78  ? 45  GLU   A CA    1 
ATOM   330  C  C     . GLU   A 1 52  ? 46.083  -35.073 -25.479 1.00 89.42  ? 45  GLU   A C     1 
ATOM   331  O  O     . GLU   A 1 52  ? 45.260  -34.631 -24.675 1.00 88.51  ? 45  GLU   A O     1 
ATOM   332  C  CB    . GLU   A 1 52  ? 48.324  -35.928 -24.705 1.00 93.53  ? 45  GLU   A CB    1 
ATOM   333  C  CG    . GLU   A 1 52  ? 48.489  -34.605 -23.962 1.00 109.60 ? 45  GLU   A CG    1 
ATOM   334  C  CD    . GLU   A 1 52  ? 48.248  -34.570 -22.466 1.00 142.13 ? 45  GLU   A CD    1 
ATOM   335  O  OE1   . GLU   A 1 52  ? 47.530  -33.647 -22.014 1.00 131.67 ? 45  GLU   A OE1   1 
ATOM   336  O  OE2   . GLU   A 1 52  ? 48.837  -35.405 -21.738 1.00 142.97 ? 45  GLU   A OE2   1 
ATOM   337  N  N     . PHE   A 1 53  ? 46.323  -34.515 -26.685 1.00 83.42  ? 46  PHE   A N     1 
ATOM   338  C  CA    . PHE   A 1 53  ? 45.588  -33.371 -27.220 1.00 79.14  ? 46  PHE   A CA    1 
ATOM   339  C  C     . PHE   A 1 53  ? 44.121  -33.780 -27.311 1.00 81.22  ? 46  PHE   A C     1 
ATOM   340  O  O     . PHE   A 1 53  ? 43.236  -33.026 -26.887 1.00 80.05  ? 46  PHE   A O     1 
ATOM   341  C  CB    . PHE   A 1 53  ? 46.105  -32.973 -28.633 1.00 80.88  ? 46  PHE   A CB    1 
ATOM   342  C  CG    . PHE   A 1 53  ? 45.137  -32.072 -29.371 1.00 79.25  ? 46  PHE   A CG    1 
ATOM   343  C  CD1   . PHE   A 1 53  ? 45.088  -30.709 -29.104 1.00 80.30  ? 46  PHE   A CD1   1 
ATOM   344  C  CD2   . PHE   A 1 53  ? 44.197  -32.605 -30.249 1.00 79.80  ? 46  PHE   A CD2   1 
ATOM   345  C  CE1   . PHE   A 1 53  ? 44.126  -29.893 -29.709 1.00 79.16  ? 46  PHE   A CE1   1 
ATOM   346  C  CE2   . PHE   A 1 53  ? 43.225  -31.792 -30.838 1.00 80.55  ? 46  PHE   A CE2   1 
ATOM   347  C  CZ    . PHE   A 1 53  ? 43.207  -30.440 -30.577 1.00 77.48  ? 46  PHE   A CZ    1 
ATOM   348  N  N     . GLU   A 1 54  ? 43.875  -34.976 -27.876 1.00 78.20  ? 47  GLU   A N     1 
ATOM   349  C  CA    . GLU   A 1 54  ? 42.548  -35.547 -28.107 1.00 77.39  ? 47  GLU   A CA    1 
ATOM   350  C  C     . GLU   A 1 54  ? 41.706  -35.675 -26.827 1.00 77.36  ? 47  GLU   A C     1 
ATOM   351  O  O     . GLU   A 1 54  ? 40.488  -35.475 -26.869 1.00 75.06  ? 47  GLU   A O     1 
ATOM   352  C  CB    . GLU   A 1 54  ? 42.665  -36.884 -28.857 1.00 81.47  ? 47  GLU   A CB    1 
ATOM   353  C  CG    . GLU   A 1 54  ? 43.035  -36.711 -30.325 1.00 97.76  ? 47  GLU   A CG    1 
ATOM   354  C  CD    . GLU   A 1 54  ? 42.573  -37.769 -31.316 1.00 130.43 ? 47  GLU   A CD    1 
ATOM   355  O  OE1   . GLU   A 1 54  ? 41.884  -38.734 -30.907 1.00 125.56 ? 47  GLU   A OE1   1 
ATOM   356  O  OE2   . GLU   A 1 54  ? 42.879  -37.611 -32.521 1.00 130.28 ? 47  GLU   A OE2   1 
ATOM   357  N  N     . ARG   A 1 55  ? 42.378  -35.953 -25.694 1.00 72.68  ? 48  ARG   A N     1 
ATOM   358  C  CA    . ARG   A 1 55  ? 41.794  -36.100 -24.365 1.00 70.28  ? 48  ARG   A CA    1 
ATOM   359  C  C     . ARG   A 1 55  ? 41.382  -34.745 -23.815 1.00 70.28  ? 48  ARG   A C     1 
ATOM   360  O  O     . ARG   A 1 55  ? 40.249  -34.603 -23.361 1.00 67.93  ? 48  ARG   A O     1 
ATOM   361  C  CB    . ARG   A 1 55  ? 42.796  -36.783 -23.417 1.00 69.84  ? 48  ARG   A CB    1 
ATOM   362  C  CG    . ARG   A 1 55  ? 42.838  -38.300 -23.547 1.00 67.95  ? 48  ARG   A CG    1 
ATOM   363  C  CD    . ARG   A 1 55  ? 43.482  -38.963 -22.340 1.00 68.30  ? 48  ARG   A CD    1 
ATOM   364  N  NE    . ARG   A 1 55  ? 44.770  -38.363 -21.972 1.00 72.87  ? 48  ARG   A NE    1 
ATOM   365  C  CZ    . ARG   A 1 55  ? 45.949  -38.726 -22.479 1.00 86.99  ? 48  ARG   A CZ    1 
ATOM   366  N  NH1   . ARG   A 1 55  ? 47.063  -38.125 -22.081 1.00 68.44  ? 48  ARG   A NH1   1 
ATOM   367  N  NH2   . ARG   A 1 55  ? 46.020  -39.687 -23.397 1.00 71.04  ? 48  ARG   A NH2   1 
ATOM   368  N  N     . VAL   A 1 56  ? 42.301  -33.750 -23.866 1.00 66.49  ? 49  VAL   A N     1 
ATOM   369  C  CA    . VAL   A 1 56  ? 42.103  -32.366 -23.403 1.00 64.77  ? 49  VAL   A CA    1 
ATOM   370  C  C     . VAL   A 1 56  ? 40.938  -31.713 -24.198 1.00 66.38  ? 49  VAL   A C     1 
ATOM   371  O  O     . VAL   A 1 56  ? 40.048  -31.085 -23.617 1.00 65.40  ? 49  VAL   A O     1 
ATOM   372  C  CB    . VAL   A 1 56  ? 43.432  -31.559 -23.535 1.00 70.29  ? 49  VAL   A CB    1 
ATOM   373  C  CG1   . VAL   A 1 56  ? 43.266  -30.114 -23.087 1.00 69.04  ? 49  VAL   A CG1   1 
ATOM   374  C  CG2   . VAL   A 1 56  ? 44.541  -32.211 -22.741 1.00 72.22  ? 49  VAL   A CG2   1 
ATOM   375  N  N     . TYR   A 1 57  ? 40.946  -31.907 -25.520 1.00 62.56  ? 50  TYR   A N     1 
ATOM   376  C  CA    . TYR   A 1 57  ? 39.944  -31.405 -26.438 1.00 60.20  ? 50  TYR   A CA    1 
ATOM   377  C  C     . TYR   A 1 57  ? 38.570  -32.037 -26.157 1.00 63.15  ? 50  TYR   A C     1 
ATOM   378  O  O     . TYR   A 1 57  ? 37.558  -31.322 -26.179 1.00 63.76  ? 50  TYR   A O     1 
ATOM   379  C  CB    . TYR   A 1 57  ? 40.406  -31.593 -27.906 1.00 61.99  ? 50  TYR   A CB    1 
ATOM   380  C  CG    . TYR   A 1 57  ? 39.303  -31.296 -28.891 1.00 62.21  ? 50  TYR   A CG    1 
ATOM   381  C  CD1   . TYR   A 1 57  ? 38.819  -29.998 -29.054 1.00 62.63  ? 50  TYR   A CD1   1 
ATOM   382  C  CD2   . TYR   A 1 57  ? 38.657  -32.323 -29.573 1.00 63.11  ? 50  TYR   A CD2   1 
ATOM   383  C  CE1   . TYR   A 1 57  ? 37.730  -29.732 -29.880 1.00 61.49  ? 50  TYR   A CE1   1 
ATOM   384  C  CE2   . TYR   A 1 57  ? 37.558  -32.068 -30.390 1.00 63.41  ? 50  TYR   A CE2   1 
ATOM   385  C  CZ    . TYR   A 1 57  ? 37.110  -30.769 -30.554 1.00 70.13  ? 50  TYR   A CZ    1 
ATOM   386  O  OH    . TYR   A 1 57  ? 36.045  -30.511 -31.377 1.00 75.17  ? 50  TYR   A OH    1 
ATOM   387  N  N     . ARG   A 1 58  ? 38.534  -33.353 -25.867 1.00 59.57  ? 51  ARG   A N     1 
ATOM   388  C  CA    . ARG   A 1 58  ? 37.288  -34.078 -25.571 1.00 58.56  ? 51  ARG   A CA    1 
ATOM   389  C  C     . ARG   A 1 58  ? 36.691  -33.621 -24.230 1.00 58.18  ? 51  ARG   A C     1 
ATOM   390  O  O     . ARG   A 1 58  ? 35.479  -33.433 -24.135 1.00 55.63  ? 51  ARG   A O     1 
ATOM   391  C  CB    . ARG   A 1 58  ? 37.476  -35.613 -25.640 1.00 61.00  ? 51  ARG   A CB    1 
ATOM   392  C  CG    . ARG   A 1 58  ? 36.154  -36.380 -25.531 1.00 67.22  ? 51  ARG   A CG    1 
ATOM   393  C  CD    . ARG   A 1 58  ? 35.664  -36.991 -26.831 1.00 79.23  ? 51  ARG   A CD    1 
ATOM   394  N  NE    . ARG   A 1 58  ? 35.724  -36.091 -27.990 1.00 94.02  ? 51  ARG   A NE    1 
ATOM   395  C  CZ    . ARG   A 1 58  ? 34.727  -35.304 -28.388 1.00 114.94 ? 51  ARG   A CZ    1 
ATOM   396  N  NH1   . ARG   A 1 58  ? 33.577  -35.279 -27.713 1.00 100.97 ? 51  ARG   A NH1   1 
ATOM   397  N  NH2   . ARG   A 1 58  ? 34.865  -34.544 -29.466 1.00 105.06 ? 51  ARG   A NH2   1 
ATOM   398  N  N     . ALA   A 1 59  ? 37.566  -33.375 -23.234 1.00 55.09  ? 52  ALA   A N     1 
ATOM   399  C  CA    . ALA   A 1 59  ? 37.243  -32.875 -21.894 1.00 53.35  ? 52  ALA   A CA    1 
ATOM   400  C  C     . ALA   A 1 59  ? 36.523  -31.522 -21.981 1.00 57.03  ? 52  ALA   A C     1 
ATOM   401  O  O     . ALA   A 1 59  ? 35.510  -31.314 -21.316 1.00 55.31  ? 52  ALA   A O     1 
ATOM   402  C  CB    . ALA   A 1 59  ? 38.522  -32.751 -21.071 1.00 54.63  ? 52  ALA   A CB    1 
ATOM   403  N  N     . GLN   A 1 60  ? 37.017  -30.626 -22.853 1.00 55.06  ? 53  GLN   A N     1 
ATOM   404  C  CA    . GLN   A 1 60  ? 36.451  -29.297 -23.068 1.00 52.71  ? 53  GLN   A CA    1 
ATOM   405  C  C     . GLN   A 1 60  ? 35.096  -29.410 -23.760 1.00 54.36  ? 53  GLN   A C     1 
ATOM   406  O  O     . GLN   A 1 60  ? 34.153  -28.777 -23.309 1.00 53.12  ? 53  GLN   A O     1 
ATOM   407  C  CB    . GLN   A 1 60  ? 37.435  -28.429 -23.849 1.00 54.68  ? 53  GLN   A CB    1 
ATOM   408  C  CG    . GLN   A 1 60  ? 36.919  -27.032 -24.178 1.00 58.99  ? 53  GLN   A CG    1 
ATOM   409  C  CD    . GLN   A 1 60  ? 37.259  -26.615 -25.583 1.00 90.32  ? 53  GLN   A CD    1 
ATOM   410  O  OE1   . GLN   A 1 60  ? 37.115  -27.375 -26.560 1.00 94.08  ? 53  GLN   A OE1   1 
ATOM   411  N  NE2   . GLN   A 1 60  ? 37.727  -25.387 -25.714 1.00 81.97  ? 53  GLN   A NE2   1 
ATOM   412  N  N     . VAL   A 1 61  ? 34.979  -30.283 -24.778 1.00 51.68  ? 54  VAL   A N     1 
ATOM   413  C  CA    . VAL   A 1 61  ? 33.730  -30.533 -25.518 1.00 49.95  ? 54  VAL   A CA    1 
ATOM   414  C  C     . VAL   A 1 61  ? 32.661  -31.035 -24.564 1.00 55.10  ? 54  VAL   A C     1 
ATOM   415  O  O     . VAL   A 1 61  ? 31.554  -30.488 -24.563 1.00 54.60  ? 54  VAL   A O     1 
ATOM   416  C  CB    . VAL   A 1 61  ? 33.943  -31.457 -26.776 1.00 52.70  ? 54  VAL   A CB    1 
ATOM   417  C  CG1   . VAL   A 1 61  ? 32.620  -31.956 -27.362 1.00 51.12  ? 54  VAL   A CG1   1 
ATOM   418  C  CG2   . VAL   A 1 61  ? 34.738  -30.732 -27.838 1.00 51.93  ? 54  VAL   A CG2   1 
ATOM   419  N  N     . ASN   A 1 62  ? 33.027  -32.006 -23.686 1.00 53.39  ? 55  ASN   A N     1 
ATOM   420  C  CA    . ASN   A 1 62  ? 32.124  -32.593 -22.690 1.00 52.83  ? 55  ASN   A CA    1 
ATOM   421  C  C     . ASN   A 1 62  ? 31.625  -31.576 -21.690 1.00 56.53  ? 55  ASN   A C     1 
ATOM   422  O  O     . ASN   A 1 62  ? 30.421  -31.504 -21.469 1.00 57.44  ? 55  ASN   A O     1 
ATOM   423  C  CB    . ASN   A 1 62  ? 32.757  -33.792 -22.009 1.00 54.18  ? 55  ASN   A CB    1 
ATOM   424  C  CG    . ASN   A 1 62  ? 32.989  -34.932 -22.947 1.00 59.58  ? 55  ASN   A CG    1 
ATOM   425  O  OD1   . ASN   A 1 62  ? 32.206  -35.187 -23.841 1.00 53.13  ? 55  ASN   A OD1   1 
ATOM   426  N  ND2   . ASN   A 1 62  ? 34.081  -35.638 -22.769 1.00 54.80  ? 55  ASN   A ND2   1 
ATOM   427  N  N     . CYS   A 1 63  ? 32.533  -30.744 -21.141 1.00 52.63  ? 56  CYS   A N     1 
ATOM   428  C  CA    . CYS   A 1 63  ? 32.218  -29.650 -20.221 1.00 50.49  ? 56  CYS   A CA    1 
ATOM   429  C  C     . CYS   A 1 63  ? 31.324  -28.601 -20.883 1.00 50.68  ? 56  CYS   A C     1 
ATOM   430  O  O     . CYS   A 1 63  ? 30.431  -28.073 -20.243 1.00 50.19  ? 56  CYS   A O     1 
ATOM   431  C  CB    . CYS   A 1 63  ? 33.490  -29.033 -19.657 1.00 52.51  ? 56  CYS   A CB    1 
ATOM   432  S  SG    . CYS   A 1 63  ? 34.395  -30.114 -18.515 1.00 58.56  ? 56  CYS   A SG    1 
ATOM   433  N  N     . SER   A 1 64  ? 31.535  -28.329 -22.165 1.00 46.93  ? 57  SER   A N     1 
ATOM   434  C  CA    . SER   A 1 64  ? 30.704  -27.434 -22.956 1.00 44.84  ? 57  SER   A CA    1 
ATOM   435  C  C     . SER   A 1 64  ? 29.306  -28.012 -23.157 1.00 49.86  ? 57  SER   A C     1 
ATOM   436  O  O     . SER   A 1 64  ? 28.362  -27.269 -23.017 1.00 49.04  ? 57  SER   A O     1 
ATOM   437  C  CB    . SER   A 1 64  ? 31.343  -27.183 -24.309 1.00 48.89  ? 57  SER   A CB    1 
ATOM   438  O  OG    . SER   A 1 64  ? 31.847  -25.867 -24.304 1.00 63.68  ? 57  SER   A OG    1 
ATOM   439  N  N     . GLU   A 1 65  ? 29.159  -29.321 -23.492 1.00 48.73  ? 58  GLU   A N     1 
ATOM   440  C  CA    . GLU   A 1 65  ? 27.838  -29.928 -23.668 1.00 48.74  ? 58  GLU   A CA    1 
ATOM   441  C  C     . GLU   A 1 65  ? 26.961  -29.777 -22.411 1.00 50.55  ? 58  GLU   A C     1 
ATOM   442  O  O     . GLU   A 1 65  ? 25.769  -29.483 -22.509 1.00 49.55  ? 58  GLU   A O     1 
ATOM   443  C  CB    . GLU   A 1 65  ? 27.962  -31.425 -23.979 1.00 51.67  ? 58  GLU   A CB    1 
ATOM   444  C  CG    . GLU   A 1 65  ? 28.613  -31.730 -25.309 1.00 72.57  ? 58  GLU   A CG    1 
ATOM   445  C  CD    . GLU   A 1 65  ? 28.005  -32.868 -26.109 1.00 103.60 ? 58  GLU   A CD    1 
ATOM   446  O  OE1   . GLU   A 1 65  ? 27.190  -33.646 -25.550 1.00 84.39  ? 58  GLU   A OE1   1 
ATOM   447  O  OE2   . GLU   A 1 65  ? 28.324  -32.947 -27.320 1.00 95.75  ? 58  GLU   A OE2   1 
ATOM   448  N  N     . TYR   A 1 66  ? 27.566  -29.985 -21.245 1.00 46.55  ? 59  TYR   A N     1 
ATOM   449  C  CA    . TYR   A 1 66  ? 26.914  -29.991 -19.949 1.00 45.70  ? 59  TYR   A CA    1 
ATOM   450  C  C     . TYR   A 1 66  ? 26.768  -28.644 -19.280 1.00 49.89  ? 59  TYR   A C     1 
ATOM   451  O  O     . TYR   A 1 66  ? 25.897  -28.503 -18.418 1.00 50.28  ? 59  TYR   A O     1 
ATOM   452  C  CB    . TYR   A 1 66  ? 27.626  -30.982 -19.029 1.00 47.73  ? 59  TYR   A CB    1 
ATOM   453  C  CG    . TYR   A 1 66  ? 27.226  -32.396 -19.370 1.00 48.98  ? 59  TYR   A CG    1 
ATOM   454  C  CD1   . TYR   A 1 66  ? 26.057  -32.950 -18.856 1.00 49.43  ? 59  TYR   A CD1   1 
ATOM   455  C  CD2   . TYR   A 1 66  ? 27.949  -33.140 -20.300 1.00 51.62  ? 59  TYR   A CD2   1 
ATOM   456  C  CE1   . TYR   A 1 66  ? 25.641  -34.222 -19.222 1.00 52.14  ? 59  TYR   A CE1   1 
ATOM   457  C  CE2   . TYR   A 1 66  ? 27.532  -34.411 -20.686 1.00 53.17  ? 59  TYR   A CE2   1 
ATOM   458  C  CZ    . TYR   A 1 66  ? 26.380  -34.949 -20.135 1.00 58.84  ? 59  TYR   A CZ    1 
ATOM   459  O  OH    . TYR   A 1 66  ? 25.931  -36.183 -20.504 1.00 66.48  ? 59  TYR   A OH    1 
ATOM   460  N  N     . PHE   A 1 67  ? 27.540  -27.643 -19.704 1.00 46.26  ? 60  PHE   A N     1 
ATOM   461  C  CA    . PHE   A 1 67  ? 27.436  -26.309 -19.130 1.00 45.67  ? 60  PHE   A CA    1 
ATOM   462  C  C     . PHE   A 1 67  ? 25.966  -25.736 -19.193 1.00 46.27  ? 60  PHE   A C     1 
ATOM   463  O  O     . PHE   A 1 67  ? 25.489  -25.288 -18.151 1.00 45.18  ? 60  PHE   A O     1 
ATOM   464  C  CB    . PHE   A 1 67  ? 28.494  -25.354 -19.731 1.00 48.31  ? 60  PHE   A CB    1 
ATOM   465  C  CG    . PHE   A 1 67  ? 28.538  -24.030 -19.014 1.00 50.40  ? 60  PHE   A CG    1 
ATOM   466  C  CD1   . PHE   A 1 67  ? 28.964  -23.951 -17.689 1.00 54.38  ? 60  PHE   A CD1   1 
ATOM   467  C  CD2   . PHE   A 1 67  ? 28.094  -22.870 -19.635 1.00 53.18  ? 60  PHE   A CD2   1 
ATOM   468  C  CE1   . PHE   A 1 67  ? 28.959  -22.734 -17.012 1.00 54.77  ? 60  PHE   A CE1   1 
ATOM   469  C  CE2   . PHE   A 1 67  ? 28.117  -21.649 -18.960 1.00 56.39  ? 60  PHE   A CE2   1 
ATOM   470  C  CZ    . PHE   A 1 67  ? 28.548  -21.593 -17.655 1.00 53.97  ? 60  PHE   A CZ    1 
ATOM   471  N  N     . PRO   A 1 68  ? 25.209  -25.828 -20.329 1.00 42.18  ? 61  PRO   A N     1 
ATOM   472  C  CA    . PRO   A 1 68  ? 23.808  -25.340 -20.342 1.00 41.26  ? 61  PRO   A CA    1 
ATOM   473  C  C     . PRO   A 1 68  ? 22.870  -26.116 -19.422 1.00 46.74  ? 61  PRO   A C     1 
ATOM   474  O  O     . PRO   A 1 68  ? 21.931  -25.526 -18.891 1.00 47.99  ? 61  PRO   A O     1 
ATOM   475  C  CB    . PRO   A 1 68  ? 23.387  -25.526 -21.816 1.00 42.79  ? 61  PRO   A CB    1 
ATOM   476  C  CG    . PRO   A 1 68  ? 24.660  -25.522 -22.555 1.00 46.32  ? 61  PRO   A CG    1 
ATOM   477  C  CD    . PRO   A 1 68  ? 25.597  -26.273 -21.685 1.00 42.61  ? 61  PRO   A CD    1 
ATOM   478  N  N     . LEU   A 1 69  ? 23.120  -27.424 -19.238 1.00 43.54  ? 62  LEU   A N     1 
ATOM   479  C  CA    . LEU   A 1 69  ? 22.352  -28.335 -18.363 1.00 43.63  ? 62  LEU   A CA    1 
ATOM   480  C  C     . LEU   A 1 69  ? 22.555  -27.935 -16.913 1.00 47.15  ? 62  LEU   A C     1 
ATOM   481  O  O     . LEU   A 1 69  ? 21.602  -27.852 -16.140 1.00 48.89  ? 62  LEU   A O     1 
ATOM   482  C  CB    . LEU   A 1 69  ? 22.847  -29.795 -18.584 1.00 44.40  ? 62  LEU   A CB    1 
ATOM   483  C  CG    . LEU   A 1 69  ? 22.044  -30.672 -19.567 1.00 47.26  ? 62  LEU   A CG    1 
ATOM   484  C  CD1   . LEU   A 1 69  ? 21.782  -29.990 -20.847 1.00 44.63  ? 62  LEU   A CD1   1 
ATOM   485  C  CD2   . LEU   A 1 69  ? 22.735  -31.998 -19.811 1.00 47.35  ? 62  LEU   A CD2   1 
ATOM   486  N  N     . PHE   A 1 70  ? 23.812  -27.669 -16.548 1.00 43.12  ? 63  PHE   A N     1 
ATOM   487  C  CA    . PHE   A 1 70  ? 24.179  -27.197 -15.229 1.00 41.98  ? 63  PHE   A CA    1 
ATOM   488  C  C     . PHE   A 1 70  ? 23.479  -25.861 -14.948 1.00 45.23  ? 63  PHE   A C     1 
ATOM   489  O  O     . PHE   A 1 70  ? 22.882  -25.723 -13.903 1.00 46.24  ? 63  PHE   A O     1 
ATOM   490  C  CB    . PHE   A 1 70  ? 25.711  -27.083 -15.109 1.00 43.65  ? 63  PHE   A CB    1 
ATOM   491  C  CG    . PHE   A 1 70  ? 26.195  -26.150 -14.016 1.00 43.91  ? 63  PHE   A CG    1 
ATOM   492  C  CD1   . PHE   A 1 70  ? 26.056  -26.491 -12.671 1.00 47.27  ? 63  PHE   A CD1   1 
ATOM   493  C  CD2   . PHE   A 1 70  ? 26.754  -24.921 -14.329 1.00 43.05  ? 63  PHE   A CD2   1 
ATOM   494  C  CE1   . PHE   A 1 70  ? 26.498  -25.624 -11.670 1.00 47.37  ? 63  PHE   A CE1   1 
ATOM   495  C  CE2   . PHE   A 1 70  ? 27.180  -24.052 -13.324 1.00 45.73  ? 63  PHE   A CE2   1 
ATOM   496  C  CZ    . PHE   A 1 70  ? 27.073  -24.418 -12.005 1.00 44.43  ? 63  PHE   A CZ    1 
ATOM   497  N  N     . LEU   A 1 71  ? 23.520  -24.910 -15.875 1.00 43.14  ? 64  LEU   A N     1 
ATOM   498  C  CA    . LEU   A 1 71  ? 22.891  -23.608 -15.690 1.00 44.62  ? 64  LEU   A CA    1 
ATOM   499  C  C     . LEU   A 1 71  ? 21.402  -23.691 -15.510 1.00 46.72  ? 64  LEU   A C     1 
ATOM   500  O  O     . LEU   A 1 71  ? 20.848  -23.029 -14.633 1.00 46.30  ? 64  LEU   A O     1 
ATOM   501  C  CB    . LEU   A 1 71  ? 23.210  -22.653 -16.846 1.00 46.28  ? 64  LEU   A CB    1 
ATOM   502  C  CG    . LEU   A 1 71  ? 24.651  -22.218 -16.998 1.00 53.94  ? 64  LEU   A CG    1 
ATOM   503  C  CD1   . LEU   A 1 71  ? 24.808  -21.326 -18.235 1.00 55.08  ? 64  LEU   A CD1   1 
ATOM   504  C  CD2   . LEU   A 1 71  ? 25.174  -21.558 -15.719 1.00 57.99  ? 64  LEU   A CD2   1 
ATOM   505  N  N     . ALA   A 1 72  ? 20.761  -24.517 -16.322 1.00 43.27  ? 65  ALA   A N     1 
ATOM   506  C  CA    . ALA   A 1 72  ? 19.317  -24.717 -16.298 1.00 42.31  ? 65  ALA   A CA    1 
ATOM   507  C  C     . ALA   A 1 72  ? 18.854  -25.250 -14.941 1.00 45.59  ? 65  ALA   A C     1 
ATOM   508  O  O     . ALA   A 1 72  ? 17.950  -24.677 -14.358 1.00 45.35  ? 65  ALA   A O     1 
ATOM   509  C  CB    . ALA   A 1 72  ? 18.890  -25.639 -17.454 1.00 42.61  ? 65  ALA   A CB    1 
ATOM   510  N  N     . THR   A 1 73  ? 19.525  -26.279 -14.412 1.00 43.04  ? 66  THR   A N     1 
ATOM   511  C  CA    . THR   A 1 73  ? 19.170  -26.913 -13.140 1.00 42.68  ? 66  THR   A CA    1 
ATOM   512  C  C     . THR   A 1 73  ? 19.555  -26.021 -11.977 1.00 44.90  ? 66  THR   A C     1 
ATOM   513  O  O     . THR   A 1 73  ? 18.824  -25.978 -11.001 1.00 45.71  ? 66  THR   A O     1 
ATOM   514  C  CB    . THR   A 1 73  ? 19.717  -28.389 -13.037 1.00 47.85  ? 66  THR   A CB    1 
ATOM   515  O  OG1   . THR   A 1 73  ? 21.139  -28.398 -13.003 1.00 60.72  ? 66  THR   A OG1   1 
ATOM   516  C  CG2   . THR   A 1 73  ? 19.365  -29.190 -14.200 1.00 36.74  ? 66  THR   A CG2   1 
ATOM   517  N  N     . LEU   A 1 74  ? 20.685  -25.311 -12.064 1.00 41.10  ? 67  LEU   A N     1 
ATOM   518  C  CA    . LEU   A 1 74  ? 21.129  -24.386 -11.009 1.00 40.00  ? 67  LEU   A CA    1 
ATOM   519  C  C     . LEU   A 1 74  ? 20.054  -23.314 -10.778 1.00 43.74  ? 67  LEU   A C     1 
ATOM   520  O  O     . LEU   A 1 74  ? 19.692  -23.047 -9.647  1.00 44.14  ? 67  LEU   A O     1 
ATOM   521  C  CB    . LEU   A 1 74  ? 22.475  -23.734 -11.422 1.00 39.37  ? 67  LEU   A CB    1 
ATOM   522  C  CG    . LEU   A 1 74  ? 23.033  -22.600 -10.541 1.00 41.76  ? 67  LEU   A CG    1 
ATOM   523  C  CD1   . LEU   A 1 74  ? 23.574  -23.125 -9.170  1.00 41.24  ? 67  LEU   A CD1   1 
ATOM   524  C  CD2   . LEU   A 1 74  ? 24.034  -21.769 -11.318 1.00 37.15  ? 67  LEU   A CD2   1 
ATOM   525  N  N     . TRP   A 1 75  ? 19.530  -22.730 -11.857 1.00 41.86  ? 68  TRP   A N     1 
ATOM   526  C  CA    . TRP   A 1 75  ? 18.522  -21.683 -11.781 1.00 42.04  ? 68  TRP   A CA    1 
ATOM   527  C  C     . TRP   A 1 75  ? 17.161  -22.216 -11.318 1.00 45.21  ? 68  TRP   A C     1 
ATOM   528  O  O     . TRP   A 1 75  ? 16.540  -21.588 -10.466 1.00 45.51  ? 68  TRP   A O     1 
ATOM   529  C  CB    . TRP   A 1 75  ? 18.459  -20.893 -13.097 1.00 40.64  ? 68  TRP   A CB    1 
ATOM   530  C  CG    . TRP   A 1 75  ? 19.617  -19.942 -13.183 1.00 41.92  ? 68  TRP   A CG    1 
ATOM   531  C  CD1   . TRP   A 1 75  ? 20.886  -20.219 -13.634 1.00 44.19  ? 68  TRP   A CD1   1 
ATOM   532  C  CD2   . TRP   A 1 75  ? 19.671  -18.632 -12.616 1.00 42.60  ? 68  TRP   A CD2   1 
ATOM   533  N  NE1   . TRP   A 1 75  ? 21.702  -19.136 -13.443 1.00 42.66  ? 68  TRP   A NE1   1 
ATOM   534  C  CE2   . TRP   A 1 75  ? 20.986  -18.141 -12.822 1.00 45.49  ? 68  TRP   A CE2   1 
ATOM   535  C  CE3   . TRP   A 1 75  ? 18.715  -17.791 -12.007 1.00 44.09  ? 68  TRP   A CE3   1 
ATOM   536  C  CZ2   . TRP   A 1 75  ? 21.373  -16.856 -12.422 1.00 45.80  ? 68  TRP   A CZ2   1 
ATOM   537  C  CZ3   . TRP   A 1 75  ? 19.106  -16.522 -11.598 1.00 46.03  ? 68  TRP   A CZ3   1 
ATOM   538  C  CH2   . TRP   A 1 75  ? 20.417  -16.066 -11.802 1.00 47.32  ? 68  TRP   A CH2   1 
ATOM   539  N  N     . VAL   A 1 76  ? 16.739  -23.391 -11.806 1.00 41.01  ? 69  VAL   A N     1 
ATOM   540  C  CA    . VAL   A 1 76  ? 15.481  -24.005 -11.374 1.00 40.29  ? 69  VAL   A CA    1 
ATOM   541  C  C     . VAL   A 1 76  ? 15.572  -24.388 -9.890  1.00 46.87  ? 69  VAL   A C     1 
ATOM   542  O  O     . VAL   A 1 76  ? 14.676  -24.051 -9.126  1.00 49.82  ? 69  VAL   A O     1 
ATOM   543  C  CB    . VAL   A 1 76  ? 15.009  -25.160 -12.304 1.00 41.83  ? 69  VAL   A CB    1 
ATOM   544  C  CG1   . VAL   A 1 76  ? 13.739  -25.830 -11.764 1.00 40.93  ? 69  VAL   A CG1   1 
ATOM   545  C  CG2   . VAL   A 1 76  ? 14.780  -24.641 -13.722 1.00 40.42  ? 69  VAL   A CG2   1 
ATOM   546  N  N     . ALA   A 1 77  ? 16.667  -25.031 -9.476  1.00 42.72  ? 70  ALA   A N     1 
ATOM   547  C  CA    . ALA   A 1 77  ? 16.895  -25.439 -8.087  1.00 41.93  ? 70  ALA   A CA    1 
ATOM   548  C  C     . ALA   A 1 77  ? 17.012  -24.254 -7.151  1.00 46.67  ? 70  ALA   A C     1 
ATOM   549  O  O     . ALA   A 1 77  ? 16.433  -24.282 -6.062  1.00 46.69  ? 70  ALA   A O     1 
ATOM   550  C  CB    . ALA   A 1 77  ? 18.126  -26.327 -7.987  1.00 42.89  ? 70  ALA   A CB    1 
ATOM   551  N  N     . GLY   A 1 78  ? 17.727  -23.217 -7.587  1.00 43.64  ? 71  GLY   A N     1 
ATOM   552  C  CA    . GLY   A 1 78  ? 17.945  -22.007 -6.804  1.00 44.29  ? 71  GLY   A CA    1 
ATOM   553  C  C     . GLY   A 1 78  ? 16.726  -21.143 -6.611  1.00 50.40  ? 71  GLY   A C     1 
ATOM   554  O  O     . GLY   A 1 78  ? 16.633  -20.431 -5.612  1.00 51.46  ? 71  GLY   A O     1 
ATOM   555  N  N     . ILE   A 1 79  ? 15.804  -21.157 -7.586  1.00 48.68  ? 72  ILE   A N     1 
ATOM   556  C  CA    . ILE   A 1 79  ? 14.565  -20.372 -7.520  1.00 47.88  ? 72  ILE   A CA    1 
ATOM   557  C  C     . ILE   A 1 79  ? 13.454  -21.144 -6.820  1.00 50.25  ? 72  ILE   A C     1 
ATOM   558  O  O     . ILE   A 1 79  ? 12.770  -20.562 -6.002  1.00 50.87  ? 72  ILE   A O     1 
ATOM   559  C  CB    . ILE   A 1 79  ? 14.148  -19.820 -8.919  1.00 50.13  ? 72  ILE   A CB    1 
ATOM   560  C  CG1   . ILE   A 1 79  ? 15.087  -18.664 -9.300  1.00 51.17  ? 72  ILE   A CG1   1 
ATOM   561  C  CG2   . ILE   A 1 79  ? 12.670  -19.356 -8.965  1.00 48.92  ? 72  ILE   A CG2   1 
ATOM   562  C  CD1   . ILE   A 1 79  ? 15.305  -18.541 -10.715 1.00 59.05  ? 72  ILE   A CD1   1 
ATOM   563  N  N     . PHE   A 1 80  ? 13.289  -22.442 -7.105  1.00 45.68  ? 73  PHE   A N     1 
ATOM   564  C  CA    . PHE   A 1 80  ? 12.177  -23.235 -6.574  1.00 44.05  ? 73  PHE   A CA    1 
ATOM   565  C  C     . PHE   A 1 80  ? 12.521  -24.043 -5.318  1.00 49.42  ? 73  PHE   A C     1 
ATOM   566  O  O     . PHE   A 1 80  ? 11.624  -24.333 -4.514  1.00 51.07  ? 73  PHE   A O     1 
ATOM   567  C  CB    . PHE   A 1 80  ? 11.581  -24.114 -7.686  1.00 44.61  ? 73  PHE   A CB    1 
ATOM   568  C  CG    . PHE   A 1 80  ? 10.860  -23.284 -8.729  1.00 44.59  ? 73  PHE   A CG    1 
ATOM   569  C  CD1   . PHE   A 1 80  ? 9.548   -22.846 -8.516  1.00 46.60  ? 73  PHE   A CD1   1 
ATOM   570  C  CD2   . PHE   A 1 80  ? 11.514  -22.870 -9.890  1.00 44.76  ? 73  PHE   A CD2   1 
ATOM   571  C  CE1   . PHE   A 1 80  ? 8.878   -22.075 -9.486  1.00 46.22  ? 73  PHE   A CE1   1 
ATOM   572  C  CE2   . PHE   A 1 80  ? 10.852  -22.079 -10.844 1.00 46.35  ? 73  PHE   A CE2   1 
ATOM   573  C  CZ    . PHE   A 1 80  ? 9.534   -21.697 -10.641 1.00 44.42  ? 73  PHE   A CZ    1 
ATOM   574  N  N     . PHE   A 1 81  ? 13.794  -24.364 -5.105  1.00 45.63  ? 74  PHE   A N     1 
ATOM   575  C  CA    . PHE   A 1 81  ? 14.160  -25.076 -3.887  1.00 44.69  ? 74  PHE   A CA    1 
ATOM   576  C  C     . PHE   A 1 81  ? 14.662  -24.056 -2.864  1.00 53.33  ? 74  PHE   A C     1 
ATOM   577  O  O     . PHE   A 1 81  ? 13.837  -23.495 -2.149  1.00 54.37  ? 74  PHE   A O     1 
ATOM   578  C  CB    . PHE   A 1 81  ? 15.120  -26.253 -4.143  1.00 44.13  ? 74  PHE   A CB    1 
ATOM   579  C  CG    . PHE   A 1 81  ? 15.378  -27.118 -2.934  1.00 44.51  ? 74  PHE   A CG    1 
ATOM   580  C  CD1   . PHE   A 1 81  ? 14.445  -28.045 -2.513  1.00 45.44  ? 74  PHE   A CD1   1 
ATOM   581  C  CD2   . PHE   A 1 81  ? 16.583  -27.041 -2.249  1.00 47.50  ? 74  PHE   A CD2   1 
ATOM   582  C  CE1   . PHE   A 1 81  ? 14.683  -28.841 -1.393  1.00 48.00  ? 74  PHE   A CE1   1 
ATOM   583  C  CE2   . PHE   A 1 81  ? 16.821  -27.838 -1.126  1.00 50.66  ? 74  PHE   A CE2   1 
ATOM   584  C  CZ    . PHE   A 1 81  ? 15.859  -28.720 -0.695  1.00 48.84  ? 74  PHE   A CZ    1 
ATOM   585  N  N     . HIS   A 1 82  ? 15.983  -23.796 -2.817  1.00 51.15  ? 75  HIS   A N     1 
ATOM   586  C  CA    . HIS   A 1 82  ? 16.667  -22.849 -1.927  1.00 50.80  ? 75  HIS   A CA    1 
ATOM   587  C  C     . HIS   A 1 82  ? 17.931  -22.408 -2.636  1.00 53.14  ? 75  HIS   A C     1 
ATOM   588  O  O     . HIS   A 1 82  ? 18.710  -23.245 -3.096  1.00 53.44  ? 75  HIS   A O     1 
ATOM   589  C  CB    . HIS   A 1 82  ? 17.044  -23.491 -0.574  1.00 52.68  ? 75  HIS   A CB    1 
ATOM   590  C  CG    . HIS   A 1 82  ? 15.875  -23.930 0.249   1.00 56.57  ? 75  HIS   A CG    1 
ATOM   591  N  ND1   . HIS   A 1 82  ? 15.736  -25.249 0.661   1.00 58.52  ? 75  HIS   A ND1   1 
ATOM   592  C  CD2   . HIS   A 1 82  ? 14.821  -23.211 0.712   1.00 57.85  ? 75  HIS   A CD2   1 
ATOM   593  C  CE1   . HIS   A 1 82  ? 14.593  -25.294 1.315   1.00 57.85  ? 75  HIS   A CE1   1 
ATOM   594  N  NE2   . HIS   A 1 82  ? 14.010  -24.092 1.377   1.00 58.01  ? 75  HIS   A NE2   1 
ATOM   595  N  N     . GLU   A 1 83  ? 18.145  -21.100 -2.688  1.00 47.91  ? 76  GLU   A N     1 
ATOM   596  C  CA    . GLU   A 1 83  ? 19.262  -20.463 -3.351  1.00 46.96  ? 76  GLU   A CA    1 
ATOM   597  C  C     . GLU   A 1 83  ? 20.664  -20.929 -2.863  1.00 52.06  ? 76  GLU   A C     1 
ATOM   598  O  O     . GLU   A 1 83  ? 21.517  -21.242 -3.696  1.00 52.04  ? 76  GLU   A O     1 
ATOM   599  C  CB    . GLU   A 1 83  ? 19.122  -18.951 -3.277  1.00 48.05  ? 76  GLU   A CB    1 
ATOM   600  C  CG    . GLU   A 1 83  ? 19.993  -18.303 -4.317  1.00 56.43  ? 76  GLU   A CG    1 
ATOM   601  C  CD    . GLU   A 1 83  ? 20.424  -16.883 -4.075  1.00 64.49  ? 76  GLU   A CD    1 
ATOM   602  O  OE1   . GLU   A 1 83  ? 20.280  -16.382 -2.942  1.00 66.06  ? 76  GLU   A OE1   1 
ATOM   603  O  OE2   . GLU   A 1 83  ? 20.944  -16.276 -5.033  1.00 66.48  ? 76  GLU   A OE2   1 
ATOM   604  N  N     . GLY   A 1 84  ? 20.871  -20.975 -1.551  1.00 47.88  ? 77  GLY   A N     1 
ATOM   605  C  CA    . GLY   A 1 84  ? 22.124  -21.394 -0.944  1.00 48.22  ? 77  GLY   A CA    1 
ATOM   606  C  C     . GLY   A 1 84  ? 22.433  -22.838 -1.246  1.00 55.19  ? 77  GLY   A C     1 
ATOM   607  O  O     . GLY   A 1 84  ? 23.566  -23.138 -1.622  1.00 57.11  ? 77  GLY   A O     1 
ATOM   608  N  N     . ALA   A 1 85  ? 21.416  -23.744 -1.120  1.00 51.46  ? 78  ALA   A N     1 
ATOM   609  C  CA    . ALA   A 1 85  ? 21.539  -25.186 -1.381  1.00 50.60  ? 78  ALA   A CA    1 
ATOM   610  C  C     . ALA   A 1 85  ? 21.989  -25.471 -2.815  1.00 54.23  ? 78  ALA   A C     1 
ATOM   611  O  O     . ALA   A 1 85  ? 22.906  -26.272 -3.016  1.00 54.46  ? 78  ALA   A O     1 
ATOM   612  C  CB    . ALA   A 1 85  ? 20.229  -25.903 -1.091  1.00 50.35  ? 78  ALA   A CB    1 
ATOM   613  N  N     . ALA   A 1 86  ? 21.339  -24.803 -3.800  1.00 47.62  ? 79  ALA   A N     1 
ATOM   614  C  CA    . ALA   A 1 86  ? 21.638  -24.920 -5.214  1.00 45.30  ? 79  ALA   A CA    1 
ATOM   615  C  C     . ALA   A 1 86  ? 23.036  -24.363 -5.535  1.00 50.57  ? 79  ALA   A C     1 
ATOM   616  O  O     . ALA   A 1 86  ? 23.791  -25.012 -6.253  1.00 51.32  ? 79  ALA   A O     1 
ATOM   617  C  CB    . ALA   A 1 86  ? 20.588  -24.201 -6.017  1.00 43.98  ? 79  ALA   A CB    1 
ATOM   618  N  N     . ALA   A 1 87  ? 23.376  -23.179 -4.991  1.00 47.53  ? 80  ALA   A N     1 
ATOM   619  C  CA    . ALA   A 1 87  ? 24.647  -22.489 -5.205  1.00 47.76  ? 80  ALA   A CA    1 
ATOM   620  C  C     . ALA   A 1 87  ? 25.823  -23.301 -4.704  1.00 52.56  ? 80  ALA   A C     1 
ATOM   621  O  O     . ALA   A 1 87  ? 26.838  -23.328 -5.378  1.00 51.88  ? 80  ALA   A O     1 
ATOM   622  C  CB    . ALA   A 1 87  ? 24.624  -21.116 -4.552  1.00 49.08  ? 80  ALA   A CB    1 
ATOM   623  N  N     . LEU   A 1 88  ? 25.681  -23.985 -3.548  1.00 52.26  ? 81  LEU   A N     1 
ATOM   624  C  CA    . LEU   A 1 88  ? 26.693  -24.847 -2.929  1.00 54.92  ? 81  LEU   A CA    1 
ATOM   625  C  C     . LEU   A 1 88  ? 26.920  -26.075 -3.804  1.00 58.41  ? 81  LEU   A C     1 
ATOM   626  O  O     . LEU   A 1 88  ? 28.054  -26.477 -4.059  1.00 59.62  ? 81  LEU   A O     1 
ATOM   627  C  CB    . LEU   A 1 88  ? 26.175  -25.297 -1.565  1.00 57.32  ? 81  LEU   A CB    1 
ATOM   628  C  CG    . LEU   A 1 88  ? 27.137  -25.281 -0.372  1.00 67.84  ? 81  LEU   A CG    1 
ATOM   629  C  CD1   . LEU   A 1 88  ? 28.359  -26.207 -0.586  1.00 70.32  ? 81  LEU   A CD1   1 
ATOM   630  C  CD2   . LEU   A 1 88  ? 27.526  -23.841 0.031   1.00 74.37  ? 81  LEU   A CD2   1 
ATOM   631  N  N     . CYS   A 1 89  ? 25.837  -26.639 -4.279  1.00 54.62  ? 82  CYS   A N     1 
ATOM   632  C  CA    . CYS   A 1 89  ? 25.812  -27.792 -5.138  1.00 56.57  ? 82  CYS   A CA    1 
ATOM   633  C  C     . CYS   A 1 89  ? 26.453  -27.512 -6.526  1.00 53.92  ? 82  CYS   A C     1 
ATOM   634  O  O     . CYS   A 1 89  ? 27.147  -28.377 -7.074  1.00 51.92  ? 82  CYS   A O     1 
ATOM   635  C  CB    . CYS   A 1 89  ? 24.382  -28.289 -5.254  1.00 59.57  ? 82  CYS   A CB    1 
ATOM   636  S  SG    . CYS   A 1 89  ? 24.260  -30.030 -5.683  1.00 66.86  ? 82  CYS   A SG    1 
ATOM   637  N  N     . GLY   A 1 90  ? 26.224  -26.292 -7.038  1.00 47.37  ? 83  GLY   A N     1 
ATOM   638  C  CA    . GLY   A 1 90  ? 26.781  -25.741 -8.263  1.00 45.04  ? 83  GLY   A CA    1 
ATOM   639  C  C     . GLY   A 1 90  ? 28.290  -25.628 -8.177  1.00 50.11  ? 83  GLY   A C     1 
ATOM   640  O  O     . GLY   A 1 90  ? 28.979  -25.985 -9.134  1.00 51.74  ? 83  GLY   A O     1 
ATOM   641  N  N     . LEU   A 1 91  ? 28.817  -25.185 -7.008  1.00 46.37  ? 84  LEU   A N     1 
ATOM   642  C  CA    . LEU   A 1 91  ? 30.238  -25.085 -6.689  1.00 48.16  ? 84  LEU   A CA    1 
ATOM   643  C  C     . LEU   A 1 91  ? 30.907  -26.463 -6.646  1.00 53.88  ? 84  LEU   A C     1 
ATOM   644  O  O     . LEU   A 1 91  ? 32.053  -26.595 -7.096  1.00 55.58  ? 84  LEU   A O     1 
ATOM   645  C  CB    . LEU   A 1 91  ? 30.471  -24.394 -5.338  1.00 49.81  ? 84  LEU   A CB    1 
ATOM   646  C  CG    . LEU   A 1 91  ? 30.193  -22.906 -5.283  1.00 55.63  ? 84  LEU   A CG    1 
ATOM   647  C  CD1   . LEU   A 1 91  ? 30.402  -22.380 -3.883  1.00 57.94  ? 84  LEU   A CD1   1 
ATOM   648  C  CD2   . LEU   A 1 91  ? 31.025  -22.121 -6.303  1.00 55.81  ? 84  LEU   A CD2   1 
ATOM   649  N  N     . VAL   A 1 92  ? 30.207  -27.472 -6.082  1.00 48.25  ? 85  VAL   A N     1 
ATOM   650  C  CA    . VAL   A 1 92  ? 30.693  -28.850 -5.992  1.00 48.39  ? 85  VAL   A CA    1 
ATOM   651  C  C     . VAL   A 1 92  ? 30.847  -29.423 -7.414  1.00 51.27  ? 85  VAL   A C     1 
ATOM   652  O  O     . VAL   A 1 92  ? 31.881  -29.984 -7.735  1.00 52.28  ? 85  VAL   A O     1 
ATOM   653  C  CB    . VAL   A 1 92  ? 29.790  -29.701 -5.033  1.00 51.45  ? 85  VAL   A CB    1 
ATOM   654  C  CG1   . VAL   A 1 92  ? 30.040  -31.202 -5.181  1.00 51.04  ? 85  VAL   A CG1   1 
ATOM   655  C  CG2   . VAL   A 1 92  ? 30.004  -29.268 -3.586  1.00 52.07  ? 85  VAL   A CG2   1 
ATOM   656  N  N     . TYR   A 1 93  ? 29.862  -29.157 -8.279  1.00 47.79  ? 86  TYR   A N     1 
ATOM   657  C  CA    . TYR   A 1 93  ? 29.816  -29.553 -9.678  1.00 46.64  ? 86  TYR   A CA    1 
ATOM   658  C  C     . TYR   A 1 93  ? 30.965  -28.899 -10.451 1.00 52.03  ? 86  TYR   A C     1 
ATOM   659  O  O     . TYR   A 1 93  ? 31.676  -29.580 -11.213 1.00 53.10  ? 86  TYR   A O     1 
ATOM   660  C  CB    . TYR   A 1 93  ? 28.428  -29.221 -10.317 1.00 44.37  ? 86  TYR   A CB    1 
ATOM   661  C  CG    . TYR   A 1 93  ? 28.426  -29.492 -11.809 1.00 43.31  ? 86  TYR   A CG    1 
ATOM   662  C  CD1   . TYR   A 1 93  ? 28.283  -30.793 -12.303 1.00 44.75  ? 86  TYR   A CD1   1 
ATOM   663  C  CD2   . TYR   A 1 93  ? 28.753  -28.486 -12.719 1.00 42.33  ? 86  TYR   A CD2   1 
ATOM   664  C  CE1   . TYR   A 1 93  ? 28.365  -31.062 -13.676 1.00 41.28  ? 86  TYR   A CE1   1 
ATOM   665  C  CE2   . TYR   A 1 93  ? 28.856  -28.747 -14.084 1.00 42.17  ? 86  TYR   A CE2   1 
ATOM   666  C  CZ    . TYR   A 1 93  ? 28.660  -30.035 -14.556 1.00 44.64  ? 86  TYR   A CZ    1 
ATOM   667  O  OH    . TYR   A 1 93  ? 28.714  -30.253 -15.899 1.00 43.77  ? 86  TYR   A OH    1 
ATOM   668  N  N     . LEU   A 1 94  ? 31.140  -27.582 -10.264 1.00 47.50  ? 87  LEU   A N     1 
ATOM   669  C  CA    . LEU   A 1 94  ? 32.202  -26.829 -10.952 1.00 46.74  ? 87  LEU   A CA    1 
ATOM   670  C  C     . LEU   A 1 94  ? 33.585  -27.312 -10.564 1.00 53.01  ? 87  LEU   A C     1 
ATOM   671  O  O     . LEU   A 1 94  ? 34.422  -27.494 -11.435 1.00 55.49  ? 87  LEU   A O     1 
ATOM   672  C  CB    . LEU   A 1 94  ? 32.069  -25.293 -10.752 1.00 45.04  ? 87  LEU   A CB    1 
ATOM   673  C  CG    . LEU   A 1 94  ? 30.892  -24.631 -11.455 1.00 45.85  ? 87  LEU   A CG    1 
ATOM   674  C  CD1   . LEU   A 1 94  ? 30.761  -23.179 -11.057 1.00 45.43  ? 87  LEU   A CD1   1 
ATOM   675  C  CD2   . LEU   A 1 94  ? 30.900  -24.887 -12.980 1.00 40.45  ? 87  LEU   A CD2   1 
ATOM   676  N  N     . PHE   A 1 95  ? 33.820  -27.542 -9.271  1.00 49.29  ? 88  PHE   A N     1 
ATOM   677  C  CA    . PHE   A 1 95  ? 35.114  -28.008 -8.804  1.00 51.20  ? 88  PHE   A CA    1 
ATOM   678  C  C     . PHE   A 1 95  ? 35.395  -29.460 -9.284  1.00 53.61  ? 88  PHE   A C     1 
ATOM   679  O  O     . PHE   A 1 95  ? 36.524  -29.790 -9.648  1.00 53.78  ? 88  PHE   A O     1 
ATOM   680  C  CB    . PHE   A 1 95  ? 35.240  -27.799 -7.278  1.00 54.99  ? 88  PHE   A CB    1 
ATOM   681  C  CG    . PHE   A 1 95  ? 36.541  -28.260 -6.664  1.00 61.20  ? 88  PHE   A CG    1 
ATOM   682  C  CD1   . PHE   A 1 95  ? 37.753  -28.075 -7.328  1.00 65.77  ? 88  PHE   A CD1   1 
ATOM   683  C  CD2   . PHE   A 1 95  ? 36.560  -28.875 -5.410  1.00 66.19  ? 88  PHE   A CD2   1 
ATOM   684  C  CE1   . PHE   A 1 95  ? 38.942  -28.571 -6.788  1.00 68.98  ? 88  PHE   A CE1   1 
ATOM   685  C  CE2   . PHE   A 1 95  ? 37.757  -29.348 -4.862  1.00 70.17  ? 88  PHE   A CE2   1 
ATOM   686  C  CZ    . PHE   A 1 95  ? 38.934  -29.193 -5.557  1.00 69.15  ? 88  PHE   A CZ    1 
ATOM   687  N  N     . ALA   A 1 96  ? 34.353  -30.296 -9.348  1.00 49.14  ? 89  ALA   A N     1 
ATOM   688  C  CA    . ALA   A 1 96  ? 34.462  -31.671 -9.827  1.00 49.19  ? 89  ALA   A CA    1 
ATOM   689  C  C     . ALA   A 1 96  ? 34.787  -31.716 -11.327 1.00 52.63  ? 89  ALA   A C     1 
ATOM   690  O  O     . ALA   A 1 96  ? 35.502  -32.601 -11.767 1.00 54.83  ? 89  ALA   A O     1 
ATOM   691  C  CB    . ALA   A 1 96  ? 33.181  -32.432 -9.515  1.00 49.21  ? 89  ALA   A CB    1 
ATOM   692  N  N     . ARG   A 1 97  ? 34.391  -30.690 -12.058 1.00 49.40  ? 90  ARG   A N     1 
ATOM   693  C  CA    . ARG   A 1 97  ? 34.649  -30.580 -13.476 1.00 48.81  ? 90  ARG   A CA    1 
ATOM   694  C  C     . ARG   A 1 97  ? 36.065  -30.133 -13.753 1.00 55.28  ? 90  ARG   A C     1 
ATOM   695  O  O     . ARG   A 1 97  ? 36.645  -30.533 -14.716 1.00 57.72  ? 90  ARG   A O     1 
ATOM   696  C  CB    . ARG   A 1 97  ? 33.638  -29.662 -14.128 1.00 45.89  ? 90  ARG   A CB    1 
ATOM   697  C  CG    . ARG   A 1 97  ? 32.322  -30.343 -14.369 1.00 44.74  ? 90  ARG   A CG    1 
ATOM   698  C  CD    . ARG   A 1 97  ? 32.296  -30.933 -15.740 1.00 51.72  ? 90  ARG   A CD    1 
ATOM   699  N  NE    . ARG   A 1 97  ? 31.677  -32.228 -15.765 1.00 58.85  ? 90  ARG   A NE    1 
ATOM   700  C  CZ    . ARG   A 1 97  ? 31.458  -32.908 -16.866 1.00 69.72  ? 90  ARG   A CZ    1 
ATOM   701  N  NH1   . ARG   A 1 97  ? 30.897  -34.073 -16.819 1.00 68.50  ? 90  ARG   A NH1   1 
ATOM   702  N  NH2   . ARG   A 1 97  ? 31.810  -32.424 -18.015 1.00 59.01  ? 90  ARG   A NH2   1 
ATOM   703  N  N     . LEU   A 1 98  ? 36.580  -29.241 -12.933 1.00 50.94  ? 91  LEU   A N     1 
ATOM   704  C  CA    . LEU   A 1 98  ? 37.983  -28.808 -12.979 1.00 51.52  ? 91  LEU   A CA    1 
ATOM   705  C  C     . LEU   A 1 98  ? 38.855  -30.068 -12.822 1.00 57.17  ? 91  LEU   A C     1 
ATOM   706  O  O     . LEU   A 1 98  ? 39.745  -30.305 -13.646 1.00 59.81  ? 91  LEU   A O     1 
ATOM   707  C  CB    . LEU   A 1 98  ? 38.267  -27.858 -11.790 1.00 51.81  ? 91  LEU   A CB    1 
ATOM   708  C  CG    . LEU   A 1 98  ? 39.370  -26.773 -11.861 1.00 56.80  ? 91  LEU   A CG    1 
ATOM   709  C  CD1   . LEU   A 1 98  ? 39.959  -26.530 -10.501 1.00 58.42  ? 91  LEU   A CD1   1 
ATOM   710  C  CD2   . LEU   A 1 98  ? 40.445  -27.018 -12.943 1.00 54.08  ? 91  LEU   A CD2   1 
ATOM   711  N  N     . ARG   A 1 99  ? 38.563  -30.899 -11.799 1.00 53.15  ? 92  ARG   A N     1 
ATOM   712  C  CA    . ARG   A 1 99  ? 39.300  -32.146 -11.515 1.00 54.89  ? 92  ARG   A CA    1 
ATOM   713  C  C     . ARG   A 1 99  ? 39.165  -33.191 -12.638 1.00 58.99  ? 92  ARG   A C     1 
ATOM   714  O  O     . ARG   A 1 99  ? 40.117  -33.906 -12.931 1.00 61.23  ? 92  ARG   A O     1 
ATOM   715  C  CB    . ARG   A 1 99  ? 38.897  -32.735 -10.150 1.00 53.41  ? 92  ARG   A CB    1 
ATOM   716  C  CG    . ARG   A 1 99  ? 39.257  -31.853 -8.954  1.00 59.88  ? 92  ARG   A CG    1 
ATOM   717  C  CD    . ARG   A 1 99  ? 39.086  -32.571 -7.620  1.00 75.10  ? 92  ARG   A CD    1 
ATOM   718  N  NE    . ARG   A 1 99  ? 37.902  -33.440 -7.572  1.00 76.96  ? 92  ARG   A NE    1 
ATOM   719  C  CZ    . ARG   A 1 99  ? 36.698  -33.077 -7.133  1.00 79.92  ? 92  ARG   A CZ    1 
ATOM   720  N  NH1   . ARG   A 1 99  ? 36.492  -31.847 -6.680  1.00 56.13  ? 92  ARG   A NH1   1 
ATOM   721  N  NH2   . ARG   A 1 99  ? 35.694  -33.939 -7.144  1.00 66.70  ? 92  ARG   A NH2   1 
ATOM   722  N  N     . TYR   A 1 100 ? 37.982  -33.257 -13.271 1.00 53.83  ? 93  TYR   A N     1 
ATOM   723  C  CA    . TYR   A 1 100 ? 37.657  -34.114 -14.416 1.00 52.83  ? 93  TYR   A CA    1 
ATOM   724  C  C     . TYR   A 1 100 ? 38.602  -33.744 -15.563 1.00 57.60  ? 93  TYR   A C     1 
ATOM   725  O  O     . TYR   A 1 100 ? 39.244  -34.615 -16.175 1.00 58.62  ? 93  TYR   A O     1 
ATOM   726  C  CB    . TYR   A 1 100 ? 36.169  -33.881 -14.827 1.00 51.26  ? 93  TYR   A CB    1 
ATOM   727  C  CG    . TYR   A 1 100 ? 35.821  -34.345 -16.230 1.00 50.88  ? 93  TYR   A CG    1 
ATOM   728  C  CD1   . TYR   A 1 100 ? 35.681  -35.702 -16.523 1.00 54.10  ? 93  TYR   A CD1   1 
ATOM   729  C  CD2   . TYR   A 1 100 ? 35.657  -33.431 -17.270 1.00 48.21  ? 93  TYR   A CD2   1 
ATOM   730  C  CE1   . TYR   A 1 100 ? 35.383  -36.135 -17.814 1.00 53.36  ? 93  TYR   A CE1   1 
ATOM   731  C  CE2   . TYR   A 1 100 ? 35.353  -33.857 -18.564 1.00 47.72  ? 93  TYR   A CE2   1 
ATOM   732  C  CZ    . TYR   A 1 100 ? 35.196  -35.207 -18.822 1.00 53.30  ? 93  TYR   A CZ    1 
ATOM   733  O  OH    . TYR   A 1 100 ? 34.888  -35.652 -20.077 1.00 58.26  ? 93  TYR   A OH    1 
ATOM   734  N  N     . PHE   A 1 101 ? 38.704  -32.427 -15.818 1.00 52.96  ? 94  PHE   A N     1 
ATOM   735  C  CA    . PHE   A 1 101 ? 39.507  -31.869 -16.886 1.00 52.48  ? 94  PHE   A CA    1 
ATOM   736  C  C     . PHE   A 1 101 ? 40.983  -32.196 -16.703 1.00 59.61  ? 94  PHE   A C     1 
ATOM   737  O  O     . PHE   A 1 101 ? 41.620  -32.725 -17.618 1.00 61.42  ? 94  PHE   A O     1 
ATOM   738  C  CB    . PHE   A 1 101 ? 39.242  -30.364 -17.018 1.00 52.02  ? 94  PHE   A CB    1 
ATOM   739  C  CG    . PHE   A 1 101 ? 39.844  -29.771 -18.270 1.00 53.67  ? 94  PHE   A CG    1 
ATOM   740  C  CD1   . PHE   A 1 101 ? 41.177  -29.353 -18.294 1.00 58.31  ? 94  PHE   A CD1   1 
ATOM   741  C  CD2   . PHE   A 1 101 ? 39.089  -29.643 -19.429 1.00 53.61  ? 94  PHE   A CD2   1 
ATOM   742  C  CE1   . PHE   A 1 101 ? 41.740  -28.829 -19.461 1.00 59.78  ? 94  PHE   A CE1   1 
ATOM   743  C  CE2   . PHE   A 1 101 ? 39.658  -29.119 -20.595 1.00 57.30  ? 94  PHE   A CE2   1 
ATOM   744  C  CZ    . PHE   A 1 101 ? 40.982  -28.727 -20.609 1.00 56.84  ? 94  PHE   A CZ    1 
ATOM   745  N  N     . GLN   A 1 102 ? 41.507  -31.923 -15.497 1.00 56.15  ? 95  GLN   A N     1 
ATOM   746  C  CA    . GLN   A 1 102 ? 42.896  -32.176 -15.110 1.00 55.89  ? 95  GLN   A CA    1 
ATOM   747  C  C     . GLN   A 1 102 ? 43.224  -33.666 -15.117 1.00 63.92  ? 95  GLN   A C     1 
ATOM   748  O  O     . GLN   A 1 102 ? 44.350  -34.039 -15.504 1.00 67.88  ? 95  GLN   A O     1 
ATOM   749  C  CB    . GLN   A 1 102 ? 43.183  -31.543 -13.753 1.00 56.45  ? 95  GLN   A CB    1 
ATOM   750  C  CG    . GLN   A 1 102 ? 43.192  -30.024 -13.829 1.00 63.29  ? 95  GLN   A CG    1 
ATOM   751  C  CD    . GLN   A 1 102 ? 43.292  -29.316 -12.496 1.00 83.03  ? 95  GLN   A CD    1 
ATOM   752  O  OE1   . GLN   A 1 102 ? 43.705  -28.147 -12.434 1.00 81.20  ? 95  GLN   A OE1   1 
ATOM   753  N  NE2   . GLN   A 1 102 ? 42.884  -29.972 -11.408 1.00 71.06  ? 95  GLN   A NE2   1 
ATOM   754  N  N     . GLY   A 1 103 ? 42.253  -34.488 -14.687 1.00 59.22  ? 96  GLY   A N     1 
ATOM   755  C  CA    . GLY   A 1 103 ? 42.340  -35.948 -14.691 1.00 61.10  ? 96  GLY   A CA    1 
ATOM   756  C  C     . GLY   A 1 103 ? 42.439  -36.499 -16.105 1.00 66.18  ? 96  GLY   A C     1 
ATOM   757  O  O     . GLY   A 1 103 ? 43.402  -37.184 -16.441 1.00 68.13  ? 96  GLY   A O     1 
ATOM   758  N  N     . TYR   A 1 104 ? 41.447  -36.160 -16.954 1.00 63.03  ? 97  TYR   A N     1 
ATOM   759  C  CA    . TYR   A 1 104 ? 41.329  -36.540 -18.368 1.00 62.90  ? 97  TYR   A CA    1 
ATOM   760  C  C     . TYR   A 1 104 ? 42.557  -36.141 -19.177 1.00 68.65  ? 97  TYR   A C     1 
ATOM   761  O  O     . TYR   A 1 104 ? 42.977  -36.919 -20.026 1.00 70.79  ? 97  TYR   A O     1 
ATOM   762  C  CB    . TYR   A 1 104 ? 40.067  -35.907 -18.979 1.00 61.32  ? 97  TYR   A CB    1 
ATOM   763  C  CG    . TYR   A 1 104 ? 39.410  -36.670 -20.114 1.00 62.38  ? 97  TYR   A CG    1 
ATOM   764  C  CD1   . TYR   A 1 104 ? 40.075  -37.707 -20.766 1.00 66.21  ? 97  TYR   A CD1   1 
ATOM   765  C  CD2   . TYR   A 1 104 ? 38.163  -36.289 -20.602 1.00 60.55  ? 97  TYR   A CD2   1 
ATOM   766  C  CE1   . TYR   A 1 104 ? 39.484  -38.391 -21.825 1.00 67.90  ? 97  TYR   A CE1   1 
ATOM   767  C  CE2   . TYR   A 1 104 ? 37.562  -36.968 -21.658 1.00 61.66  ? 97  TYR   A CE2   1 
ATOM   768  C  CZ    . TYR   A 1 104 ? 38.218  -38.031 -22.255 1.00 70.73  ? 97  TYR   A CZ    1 
ATOM   769  O  OH    . TYR   A 1 104 ? 37.622  -38.709 -23.284 1.00 71.37  ? 97  TYR   A OH    1 
ATOM   770  N  N     . ALA   A 1 105 ? 43.143  -34.949 -18.914 1.00 64.30  ? 98  ALA   A N     1 
ATOM   771  C  CA    . ALA   A 1 105 ? 44.355  -34.471 -19.593 1.00 64.86  ? 98  ALA   A CA    1 
ATOM   772  C  C     . ALA   A 1 105 ? 45.503  -35.479 -19.418 1.00 74.88  ? 98  ALA   A C     1 
ATOM   773  O  O     . ALA   A 1 105 ? 46.236  -35.748 -20.371 1.00 77.58  ? 98  ALA   A O     1 
ATOM   774  C  CB    . ALA   A 1 105 ? 44.754  -33.107 -19.041 1.00 64.47  ? 98  ALA   A CB    1 
ATOM   775  N  N     . ARG   A 1 106 ? 45.623  -36.077 -18.209 1.00 72.03  ? 99  ARG   A N     1 
ATOM   776  C  CA    . ARG   A 1 106 ? 46.649  -37.069 -17.871 1.00 73.77  ? 99  ARG   A CA    1 
ATOM   777  C  C     . ARG   A 1 106 ? 46.285  -38.476 -18.411 1.00 76.37  ? 99  ARG   A C     1 
ATOM   778  O  O     . ARG   A 1 106 ? 47.150  -39.174 -18.949 1.00 77.99  ? 99  ARG   A O     1 
ATOM   779  C  CB    . ARG   A 1 106 ? 46.835  -37.154 -16.345 1.00 76.54  ? 99  ARG   A CB    1 
ATOM   780  C  CG    . ARG   A 1 106 ? 47.228  -35.862 -15.618 1.00 88.31  ? 99  ARG   A CG    1 
ATOM   781  C  CD    . ARG   A 1 106 ? 47.246  -36.057 -14.102 1.00 100.13 ? 99  ARG   A CD    1 
ATOM   782  N  NE    . ARG   A 1 106 ? 48.336  -36.947 -13.682 1.00 120.93 ? 99  ARG   A NE    1 
ATOM   783  C  CZ    . ARG   A 1 106 ? 48.442  -37.510 -12.481 1.00 138.60 ? 99  ARG   A CZ    1 
ATOM   784  N  NH1   . ARG   A 1 106 ? 47.519  -37.292 -11.552 1.00 124.65 ? 99  ARG   A NH1   1 
ATOM   785  N  NH2   . ARG   A 1 106 ? 49.470  -38.301 -12.201 1.00 130.11 ? 99  ARG   A NH2   1 
ATOM   786  N  N     . SER   A 1 107 ? 45.021  -38.919 -18.203 1.00 69.29  ? 100 SER   A N     1 
ATOM   787  C  CA    . SER   A 1 107 ? 44.552  -40.242 -18.629 1.00 68.49  ? 100 SER   A CA    1 
ATOM   788  C  C     . SER   A 1 107 ? 43.038  -40.331 -18.635 1.00 69.07  ? 100 SER   A C     1 
ATOM   789  O  O     . SER   A 1 107 ? 42.386  -39.671 -17.827 1.00 68.08  ? 100 SER   A O     1 
ATOM   790  C  CB    . SER   A 1 107 ? 45.144  -41.339 -17.741 1.00 72.60  ? 100 SER   A CB    1 
ATOM   791  O  OG    . SER   A 1 107 ? 44.190  -42.031 -16.948 1.00 75.99  ? 100 SER   A OG    1 
ATOM   792  N  N     . ALA   A 1 108 ? 42.482  -41.183 -19.514 1.00 64.83  ? 101 ALA   A N     1 
ATOM   793  C  CA    . ALA   A 1 108 ? 41.043  -41.444 -19.612 1.00 64.70  ? 101 ALA   A CA    1 
ATOM   794  C  C     . ALA   A 1 108 ? 40.507  -42.127 -18.347 1.00 70.45  ? 101 ALA   A C     1 
ATOM   795  O  O     . ALA   A 1 108 ? 39.358  -41.913 -17.988 1.00 68.41  ? 101 ALA   A O     1 
ATOM   796  C  CB    . ALA   A 1 108 ? 40.750  -42.304 -20.829 1.00 66.92  ? 101 ALA   A CB    1 
ATOM   797  N  N     . GLN   A 1 109 ? 41.339  -42.930 -17.660 1.00 70.12  ? 102 GLN   A N     1 
ATOM   798  C  CA    . GLN   A 1 109 ? 40.929  -43.588 -16.420 1.00 70.82  ? 102 GLN   A CA    1 
ATOM   799  C  C     . GLN   A 1 109 ? 40.866  -42.586 -15.244 1.00 72.23  ? 102 GLN   A C     1 
ATOM   800  O  O     . GLN   A 1 109 ? 39.925  -42.634 -14.440 1.00 71.50  ? 102 GLN   A O     1 
ATOM   801  C  CB    . GLN   A 1 109 ? 41.858  -44.779 -16.105 1.00 75.61  ? 102 GLN   A CB    1 
ATOM   802  C  CG    . GLN   A 1 109 ? 41.109  -45.976 -15.539 1.00 75.48  ? 102 GLN   A CG    1 
ATOM   803  C  CD    . GLN   A 1 109 ? 40.907  -45.890 -14.050 1.00 99.31  ? 102 GLN   A CD    1 
ATOM   804  O  OE1   . GLN   A 1 109 ? 41.682  -45.257 -13.314 1.00 97.53  ? 102 GLN   A OE1   1 
ATOM   805  N  NE2   . GLN   A 1 109 ? 39.899  -46.600 -13.562 1.00 91.01  ? 102 GLN   A NE2   1 
ATOM   806  N  N     . LEU   A 1 110 ? 41.845  -41.653 -15.181 1.00 67.18  ? 103 LEU   A N     1 
ATOM   807  C  CA    . LEU   A 1 110 ? 41.949  -40.646 -14.119 1.00 65.31  ? 103 LEU   A CA    1 
ATOM   808  C  C     . LEU   A 1 110 ? 40.808  -39.624 -14.113 1.00 68.83  ? 103 LEU   A C     1 
ATOM   809  O  O     . LEU   A 1 110 ? 40.596  -38.975 -13.084 1.00 70.08  ? 103 LEU   A O     1 
ATOM   810  C  CB    . LEU   A 1 110 ? 43.321  -39.937 -14.118 1.00 64.89  ? 103 LEU   A CB    1 
ATOM   811  C  CG    . LEU   A 1 110 ? 44.499  -40.739 -13.591 1.00 69.18  ? 103 LEU   A CG    1 
ATOM   812  C  CD1   . LEU   A 1 110 ? 45.794  -40.004 -13.818 1.00 70.03  ? 103 LEU   A CD1   1 
ATOM   813  C  CD2   . LEU   A 1 110 ? 44.338  -41.091 -12.137 1.00 66.09  ? 103 LEU   A CD2   1 
ATOM   814  N  N     . ARG   A 1 111 ? 40.045  -39.526 -15.225 1.00 62.60  ? 104 ARG   A N     1 
ATOM   815  C  CA    . ARG   A 1 111 ? 38.890  -38.636 -15.375 1.00 58.34  ? 104 ARG   A CA    1 
ATOM   816  C  C     . ARG   A 1 111 ? 37.661  -39.158 -14.651 1.00 63.25  ? 104 ARG   A C     1 
ATOM   817  O  O     . ARG   A 1 111 ? 36.767  -38.367 -14.324 1.00 62.26  ? 104 ARG   A O     1 
ATOM   818  C  CB    . ARG   A 1 111 ? 38.558  -38.449 -16.879 1.00 54.82  ? 104 ARG   A CB    1 
ATOM   819  C  CG    . ARG   A 1 111 ? 37.405  -39.308 -17.442 1.00 58.44  ? 104 ARG   A CG    1 
ATOM   820  C  CD    . ARG   A 1 111 ? 37.398  -39.391 -18.960 1.00 53.88  ? 104 ARG   A CD    1 
ATOM   821  N  NE    . ARG   A 1 111 ? 36.192  -40.038 -19.489 1.00 60.92  ? 104 ARG   A NE    1 
ATOM   822  C  CZ    . ARG   A 1 111 ? 36.036  -41.350 -19.656 1.00 72.13  ? 104 ARG   A CZ    1 
ATOM   823  N  NH1   . ARG   A 1 111 ? 34.907  -41.831 -20.155 1.00 57.37  ? 104 ARG   A NH1   1 
ATOM   824  N  NH2   . ARG   A 1 111 ? 36.998  -42.187 -19.321 1.00 62.30  ? 104 ARG   A NH2   1 
ATOM   825  N  N     . LEU   A 1 112 ? 37.582  -40.490 -14.465 1.00 61.46  ? 105 LEU   A N     1 
ATOM   826  C  CA    . LEU   A 1 112 ? 36.401  -41.200 -13.971 1.00 61.11  ? 105 LEU   A CA    1 
ATOM   827  C  C     . LEU   A 1 112 ? 35.952  -40.839 -12.569 1.00 64.07  ? 105 LEU   A C     1 
ATOM   828  O  O     . LEU   A 1 112 ? 34.759  -40.533 -12.403 1.00 63.31  ? 105 LEU   A O     1 
ATOM   829  C  CB    . LEU   A 1 112 ? 36.559  -42.715 -14.108 1.00 63.90  ? 105 LEU   A CB    1 
ATOM   830  C  CG    . LEU   A 1 112 ? 36.603  -43.249 -15.546 1.00 67.41  ? 105 LEU   A CG    1 
ATOM   831  C  CD1   . LEU   A 1 112 ? 37.196  -44.656 -15.569 1.00 69.56  ? 105 LEU   A CD1   1 
ATOM   832  C  CD2   . LEU   A 1 112 ? 35.202  -43.149 -16.234 1.00 64.52  ? 105 LEU   A CD2   1 
ATOM   833  N  N     . ALA   A 1 113 ? 36.866  -40.839 -11.573 1.00 60.43  ? 106 ALA   A N     1 
ATOM   834  C  CA    . ALA   A 1 113 ? 36.500  -40.481 -10.193 1.00 59.01  ? 106 ALA   A CA    1 
ATOM   835  C  C     . ALA   A 1 113 ? 35.876  -39.050 -10.152 1.00 60.43  ? 106 ALA   A C     1 
ATOM   836  O  O     . ALA   A 1 113 ? 34.702  -38.939 -9.779  1.00 58.72  ? 106 ALA   A O     1 
ATOM   837  C  CB    . ALA   A 1 113 ? 37.692  -40.629 -9.244  1.00 61.25  ? 106 ALA   A CB    1 
ATOM   838  N  N     . PRO   A 1 114 ? 36.529  -37.976 -10.678 1.00 55.42  ? 107 PRO   A N     1 
ATOM   839  C  CA    . PRO   A 1 114 ? 35.845  -36.667 -10.672 1.00 52.49  ? 107 PRO   A CA    1 
ATOM   840  C  C     . PRO   A 1 114 ? 34.627  -36.575 -11.605 1.00 57.65  ? 107 PRO   A C     1 
ATOM   841  O  O     . PRO   A 1 114 ? 33.751  -35.756 -11.348 1.00 56.57  ? 107 PRO   A O     1 
ATOM   842  C  CB    . PRO   A 1 114 ? 36.946  -35.678 -11.023 1.00 53.85  ? 107 PRO   A CB    1 
ATOM   843  C  CG    . PRO   A 1 114 ? 38.039  -36.494 -11.661 1.00 58.40  ? 107 PRO   A CG    1 
ATOM   844  C  CD    . PRO   A 1 114 ? 37.924  -37.875 -11.180 1.00 56.25  ? 107 PRO   A CD    1 
ATOM   845  N  N     . LEU   A 1 115 ? 34.535  -37.429 -12.654 1.00 55.80  ? 108 LEU   A N     1 
ATOM   846  C  CA    . LEU   A 1 115 ? 33.370  -37.484 -13.552 1.00 53.41  ? 108 LEU   A CA    1 
ATOM   847  C  C     . LEU   A 1 115 ? 32.148  -38.000 -12.780 1.00 58.06  ? 108 LEU   A C     1 
ATOM   848  O  O     . LEU   A 1 115 ? 31.069  -37.437 -12.934 1.00 56.05  ? 108 LEU   A O     1 
ATOM   849  C  CB    . LEU   A 1 115 ? 33.656  -38.397 -14.778 1.00 54.10  ? 108 LEU   A CB    1 
ATOM   850  C  CG    . LEU   A 1 115 ? 32.498  -38.704 -15.747 1.00 55.06  ? 108 LEU   A CG    1 
ATOM   851  C  CD1   . LEU   A 1 115 ? 31.849  -37.431 -16.264 1.00 51.86  ? 108 LEU   A CD1   1 
ATOM   852  C  CD2   . LEU   A 1 115 ? 32.976  -39.519 -16.887 1.00 53.28  ? 108 LEU   A CD2   1 
ATOM   853  N  N     . TYR   A 1 116 ? 32.321  -39.058 -11.950 1.00 58.08  ? 109 TYR   A N     1 
ATOM   854  C  CA    . TYR   A 1 116 ? 31.241  -39.617 -11.128 1.00 58.70  ? 109 TYR   A CA    1 
ATOM   855  C  C     . TYR   A 1 116 ? 30.842  -38.613 -10.035 1.00 59.80  ? 109 TYR   A C     1 
ATOM   856  O  O     . TYR   A 1 116 ? 29.659  -38.515 -9.698  1.00 59.46  ? 109 TYR   A O     1 
ATOM   857  C  CB    . TYR   A 1 116 ? 31.612  -41.004 -10.505 1.00 63.82  ? 109 TYR   A CB    1 
ATOM   858  C  CG    . TYR   A 1 116 ? 32.095  -42.090 -11.447 1.00 69.37  ? 109 TYR   A CG    1 
ATOM   859  C  CD1   . TYR   A 1 116 ? 31.526  -42.258 -12.705 1.00 70.40  ? 109 TYR   A CD1   1 
ATOM   860  C  CD2   . TYR   A 1 116 ? 33.077  -42.998 -11.050 1.00 75.70  ? 109 TYR   A CD2   1 
ATOM   861  C  CE1   . TYR   A 1 116 ? 31.971  -43.254 -13.578 1.00 72.92  ? 109 TYR   A CE1   1 
ATOM   862  C  CE2   . TYR   A 1 116 ? 33.518  -44.014 -11.903 1.00 79.58  ? 109 TYR   A CE2   1 
ATOM   863  C  CZ    . TYR   A 1 116 ? 32.963  -44.134 -13.171 1.00 91.43  ? 109 TYR   A CZ    1 
ATOM   864  O  OH    . TYR   A 1 116 ? 33.398  -45.128 -14.027 1.00 101.91 ? 109 TYR   A OH    1 
ATOM   865  N  N     . ALA   A 1 117 ? 31.825  -37.856 -9.501  1.00 54.69  ? 110 ALA   A N     1 
ATOM   866  C  CA    . ALA   A 1 117 ? 31.602  -36.832 -8.478  1.00 52.70  ? 110 ALA   A CA    1 
ATOM   867  C  C     . ALA   A 1 117 ? 30.730  -35.709 -9.042  1.00 56.72  ? 110 ALA   A C     1 
ATOM   868  O  O     . ALA   A 1 117 ? 29.807  -35.259 -8.360  1.00 56.41  ? 110 ALA   A O     1 
ATOM   869  C  CB    . ALA   A 1 117 ? 32.930  -36.286 -7.961  1.00 53.85  ? 110 ALA   A CB    1 
ATOM   870  N  N     . SER   A 1 118 ? 30.995  -35.299 -10.307 1.00 52.35  ? 111 SER   A N     1 
ATOM   871  C  CA    . SER   A 1 118 ? 30.259  -34.266 -11.035 1.00 48.84  ? 111 SER   A CA    1 
ATOM   872  C  C     . SER   A 1 118 ? 28.859  -34.750 -11.462 1.00 53.78  ? 111 SER   A C     1 
ATOM   873  O  O     . SER   A 1 118 ? 27.904  -33.960 -11.470 1.00 53.30  ? 111 SER   A O     1 
ATOM   874  C  CB    . SER   A 1 118 ? 31.084  -33.743 -12.212 1.00 48.20  ? 111 SER   A CB    1 
ATOM   875  O  OG    . SER   A 1 118 ? 30.920  -34.533 -13.371 1.00 57.14  ? 111 SER   A OG    1 
ATOM   876  N  N     . ALA   A 1 119 ? 28.741  -36.049 -11.805 1.00 51.58  ? 112 ALA   A N     1 
ATOM   877  C  CA    . ALA   A 1 119 ? 27.485  -36.723 -12.175 1.00 50.78  ? 112 ALA   A CA    1 
ATOM   878  C  C     . ALA   A 1 119 ? 26.576  -36.773 -10.938 1.00 56.41  ? 112 ALA   A C     1 
ATOM   879  O  O     . ALA   A 1 119 ? 25.382  -36.473 -11.031 1.00 56.05  ? 112 ALA   A O     1 
ATOM   880  C  CB    . ALA   A 1 119 ? 27.785  -38.133 -12.667 1.00 53.15  ? 112 ALA   A CB    1 
ATOM   881  N  N     . ARG   A 1 120 ? 27.169  -37.095 -9.768  1.00 54.11  ? 113 ARG   A N     1 
ATOM   882  C  CA    . ARG   A 1 120 ? 26.483  -37.111 -8.478  1.00 54.30  ? 113 ARG   A CA    1 
ATOM   883  C  C     . ARG   A 1 120 ? 25.964  -35.705 -8.126  1.00 55.47  ? 113 ARG   A C     1 
ATOM   884  O  O     . ARG   A 1 120 ? 24.814  -35.576 -7.741  1.00 55.79  ? 113 ARG   A O     1 
ATOM   885  C  CB    . ARG   A 1 120 ? 27.417  -37.640 -7.369  1.00 56.12  ? 113 ARG   A CB    1 
ATOM   886  C  CG    . ARG   A 1 120 ? 27.307  -39.133 -7.152  1.00 59.63  ? 113 ARG   A CG    1 
ATOM   887  C  CD    . ARG   A 1 120 ? 28.196  -39.613 -6.017  1.00 67.79  ? 113 ARG   A CD    1 
ATOM   888  N  NE    . ARG   A 1 120 ? 29.289  -40.428 -6.551  1.00 80.95  ? 113 ARG   A NE    1 
ATOM   889  C  CZ    . ARG   A 1 120 ? 30.573  -40.082 -6.536  1.00 89.82  ? 113 ARG   A CZ    1 
ATOM   890  N  NH1   . ARG   A 1 120 ? 31.484  -40.880 -7.071  1.00 76.76  ? 113 ARG   A NH1   1 
ATOM   891  N  NH2   . ARG   A 1 120 ? 30.960  -38.951 -5.951  1.00 69.13  ? 113 ARG   A NH2   1 
ATOM   892  N  N     . ALA   A 1 121 ? 26.801  -34.666 -8.297  1.00 50.18  ? 114 ALA   A N     1 
ATOM   893  C  CA    . ALA   A 1 121 ? 26.491  -33.258 -8.032  1.00 46.99  ? 114 ALA   A CA    1 
ATOM   894  C  C     . ALA   A 1 121 ? 25.391  -32.708 -8.970  1.00 50.64  ? 114 ALA   A C     1 
ATOM   895  O  O     . ALA   A 1 121 ? 24.514  -31.990 -8.496  1.00 51.41  ? 114 ALA   A O     1 
ATOM   896  C  CB    . ALA   A 1 121 ? 27.754  -32.420 -8.116  1.00 46.99  ? 114 ALA   A CB    1 
ATOM   897  N  N     . LEU   A 1 122 ? 25.408  -33.071 -10.271 1.00 46.52  ? 115 LEU   A N     1 
ATOM   898  C  CA    . LEU   A 1 122 ? 24.400  -32.640 -11.239 1.00 44.71  ? 115 LEU   A CA    1 
ATOM   899  C  C     . LEU   A 1 122 ? 23.034  -33.309 -11.005 1.00 49.09  ? 115 LEU   A C     1 
ATOM   900  O  O     . LEU   A 1 122 ? 22.003  -32.646 -11.182 1.00 47.89  ? 115 LEU   A O     1 
ATOM   901  C  CB    . LEU   A 1 122 ? 24.884  -32.832 -12.688 1.00 45.09  ? 115 LEU   A CB    1 
ATOM   902  C  CG    . LEU   A 1 122 ? 24.133  -32.027 -13.791 1.00 47.73  ? 115 LEU   A CG    1 
ATOM   903  C  CD1   . LEU   A 1 122 ? 24.131  -30.532 -13.502 1.00 45.89  ? 115 LEU   A CD1   1 
ATOM   904  C  CD2   . LEU   A 1 122 ? 24.681  -32.345 -15.181 1.00 45.08  ? 115 LEU   A CD2   1 
ATOM   905  N  N     . TRP   A 1 123 ? 23.023  -34.610 -10.612 1.00 46.80  ? 116 TRP   A N     1 
ATOM   906  C  CA    . TRP   A 1 123 ? 21.802  -35.363 -10.286 1.00 46.64  ? 116 TRP   A CA    1 
ATOM   907  C  C     . TRP   A 1 123 ? 21.178  -34.787 -9.018  1.00 52.04  ? 116 TRP   A C     1 
ATOM   908  O  O     . TRP   A 1 123 ? 19.951  -34.688 -8.930  1.00 52.14  ? 116 TRP   A O     1 
ATOM   909  C  CB    . TRP   A 1 123 ? 22.075  -36.875 -10.110 1.00 47.01  ? 116 TRP   A CB    1 
ATOM   910  C  CG    . TRP   A 1 123 ? 22.050  -37.659 -11.391 1.00 47.84  ? 116 TRP   A CG    1 
ATOM   911  C  CD1   . TRP   A 1 123 ? 23.034  -38.472 -11.871 1.00 51.77  ? 116 TRP   A CD1   1 
ATOM   912  C  CD2   . TRP   A 1 123 ? 20.988  -37.693 -12.364 1.00 46.95  ? 116 TRP   A CD2   1 
ATOM   913  N  NE1   . TRP   A 1 123 ? 22.650  -39.024 -13.075 1.00 51.66  ? 116 TRP   A NE1   1 
ATOM   914  C  CE2   . TRP   A 1 123 ? 21.409  -38.545 -13.413 1.00 51.92  ? 116 TRP   A CE2   1 
ATOM   915  C  CE3   . TRP   A 1 123 ? 19.717  -37.093 -12.448 1.00 46.86  ? 116 TRP   A CE3   1 
ATOM   916  C  CZ2   . TRP   A 1 123 ? 20.611  -38.800 -14.538 1.00 51.01  ? 116 TRP   A CZ2   1 
ATOM   917  C  CZ3   . TRP   A 1 123 ? 18.940  -37.328 -13.570 1.00 48.06  ? 116 TRP   A CZ3   1 
ATOM   918  C  CH2   . TRP   A 1 123 ? 19.382  -38.182 -14.593 1.00 49.98  ? 116 TRP   A CH2   1 
ATOM   919  N  N     . LEU   A 1 124 ? 22.021  -34.352 -8.073  1.00 49.84  ? 117 LEU   A N     1 
ATOM   920  C  CA    . LEU   A 1 124 ? 21.596  -33.702 -6.849  1.00 51.66  ? 117 LEU   A CA    1 
ATOM   921  C  C     . LEU   A 1 124 ? 20.874  -32.390 -7.172  1.00 54.85  ? 117 LEU   A C     1 
ATOM   922  O  O     . LEU   A 1 124 ? 19.811  -32.148 -6.612  1.00 57.17  ? 117 LEU   A O     1 
ATOM   923  C  CB    . LEU   A 1 124 ? 22.779  -33.478 -5.896  1.00 54.52  ? 117 LEU   A CB    1 
ATOM   924  C  CG    . LEU   A 1 124 ? 22.421  -32.972 -4.487  1.00 63.05  ? 117 LEU   A CG    1 
ATOM   925  C  CD1   . LEU   A 1 124 ? 21.319  -33.841 -3.831  1.00 64.93  ? 117 LEU   A CD1   1 
ATOM   926  C  CD2   . LEU   A 1 124 ? 23.664  -32.904 -3.594  1.00 68.50  ? 117 LEU   A CD2   1 
ATOM   927  N  N     . LEU   A 1 125 ? 21.414  -31.582 -8.113  1.00 47.85  ? 118 LEU   A N     1 
ATOM   928  C  CA    . LEU   A 1 125 ? 20.794  -30.361 -8.605  1.00 45.31  ? 118 LEU   A CA    1 
ATOM   929  C  C     . LEU   A 1 125 ? 19.479  -30.669 -9.339  1.00 48.51  ? 118 LEU   A C     1 
ATOM   930  O  O     . LEU   A 1 125 ? 18.530  -29.923 -9.176  1.00 49.13  ? 118 LEU   A O     1 
ATOM   931  C  CB    . LEU   A 1 125 ? 21.744  -29.622 -9.554  1.00 45.03  ? 118 LEU   A CB    1 
ATOM   932  C  CG    . LEU   A 1 125 ? 22.664  -28.546 -8.982  1.00 48.75  ? 118 LEU   A CG    1 
ATOM   933  C  CD1   . LEU   A 1 125 ? 23.500  -27.937 -10.105 1.00 48.90  ? 118 LEU   A CD1   1 
ATOM   934  C  CD2   . LEU   A 1 125 ? 21.886  -27.454 -8.207  1.00 44.57  ? 118 LEU   A CD2   1 
ATOM   935  N  N     . VAL   A 1 126 ? 19.423  -31.750 -10.160 1.00 44.55  ? 119 VAL   A N     1 
ATOM   936  C  CA    . VAL   A 1 126 ? 18.193  -32.194 -10.836 1.00 43.29  ? 119 VAL   A CA    1 
ATOM   937  C  C     . VAL   A 1 126 ? 17.116  -32.546 -9.749  1.00 52.15  ? 119 VAL   A C     1 
ATOM   938  O  O     . VAL   A 1 126 ? 15.967  -32.113 -9.850  1.00 53.26  ? 119 VAL   A O     1 
ATOM   939  C  CB    . VAL   A 1 126 ? 18.457  -33.346 -11.843 1.00 45.40  ? 119 VAL   A CB    1 
ATOM   940  C  CG1   . VAL   A 1 126 ? 17.155  -33.984 -12.315 1.00 45.88  ? 119 VAL   A CG1   1 
ATOM   941  C  CG2   . VAL   A 1 126 ? 19.279  -32.872 -13.040 1.00 43.28  ? 119 VAL   A CG2   1 
ATOM   942  N  N     . ALA   A 1 127 ? 17.526  -33.263 -8.687  1.00 49.96  ? 120 ALA   A N     1 
ATOM   943  C  CA    . ALA   A 1 127 ? 16.674  -33.651 -7.559  1.00 49.40  ? 120 ALA   A CA    1 
ATOM   944  C  C     . ALA   A 1 127 ? 16.122  -32.432 -6.810  1.00 51.64  ? 120 ALA   A C     1 
ATOM   945  O  O     . ALA   A 1 127 ? 14.933  -32.412 -6.502  1.00 52.46  ? 120 ALA   A O     1 
ATOM   946  C  CB    . ALA   A 1 127 ? 17.443  -34.576 -6.613  1.00 51.01  ? 120 ALA   A CB    1 
ATOM   947  N  N     . LEU   A 1 128 ? 16.966  -31.412 -6.540  1.00 46.38  ? 121 LEU   A N     1 
ATOM   948  C  CA    . LEU   A 1 128 ? 16.572  -30.163 -5.866  1.00 44.01  ? 121 LEU   A CA    1 
ATOM   949  C  C     . LEU   A 1 128 ? 15.582  -29.356 -6.718  1.00 47.57  ? 121 LEU   A C     1 
ATOM   950  O  O     . LEU   A 1 128 ? 14.639  -28.792 -6.178  1.00 48.62  ? 121 LEU   A O     1 
ATOM   951  C  CB    . LEU   A 1 128 ? 17.800  -29.300 -5.502  1.00 43.26  ? 121 LEU   A CB    1 
ATOM   952  C  CG    . LEU   A 1 128 ? 18.859  -29.879 -4.524  1.00 47.24  ? 121 LEU   A CG    1 
ATOM   953  C  CD1   . LEU   A 1 128 ? 19.855  -28.814 -4.119  1.00 45.43  ? 121 LEU   A CD1   1 
ATOM   954  C  CD2   . LEU   A 1 128 ? 18.228  -30.566 -3.294  1.00 47.97  ? 121 LEU   A CD2   1 
ATOM   955  N  N     . ALA   A 1 129 ? 15.796  -29.310 -8.043  1.00 43.70  ? 122 ALA   A N     1 
ATOM   956  C  CA    . ALA   A 1 129 ? 14.923  -28.671 -9.023  1.00 42.52  ? 122 ALA   A CA    1 
ATOM   957  C  C     . ALA   A 1 129 ? 13.534  -29.353 -9.013  1.00 47.35  ? 122 ALA   A C     1 
ATOM   958  O  O     . ALA   A 1 129 ? 12.523  -28.670 -8.956  1.00 48.60  ? 122 ALA   A O     1 
ATOM   959  C  CB    . ALA   A 1 129 ? 15.555  -28.777 -10.418 1.00 42.79  ? 122 ALA   A CB    1 
ATOM   960  N  N     . ALA   A 1 130 ? 13.500  -30.690 -9.061  1.00 43.99  ? 123 ALA   A N     1 
ATOM   961  C  CA    . ALA   A 1 130 ? 12.295  -31.534 -9.060  1.00 45.00  ? 123 ALA   A CA    1 
ATOM   962  C  C     . ALA   A 1 130 ? 11.516  -31.346 -7.761  1.00 48.84  ? 123 ALA   A C     1 
ATOM   963  O  O     . ALA   A 1 130 ? 10.326  -31.074 -7.814  1.00 48.99  ? 123 ALA   A O     1 
ATOM   964  C  CB    . ALA   A 1 130 ? 12.679  -33.010 -9.262  1.00 46.98  ? 123 ALA   A CB    1 
ATOM   965  N  N     . LEU   A 1 131 ? 12.208  -31.414 -6.610  1.00 46.10  ? 124 LEU   A N     1 
ATOM   966  C  CA    . LEU   A 1 131 ? 11.664  -31.176 -5.280  1.00 46.30  ? 124 LEU   A CA    1 
ATOM   967  C  C     . LEU   A 1 131 ? 11.082  -29.778 -5.162  1.00 50.55  ? 124 LEU   A C     1 
ATOM   968  O  O     . LEU   A 1 131 ? 10.007  -29.614 -4.581  1.00 51.19  ? 124 LEU   A O     1 
ATOM   969  C  CB    . LEU   A 1 131 ? 12.738  -31.377 -4.195  1.00 46.91  ? 124 LEU   A CB    1 
ATOM   970  C  CG    . LEU   A 1 131 ? 13.025  -32.804 -3.746  1.00 52.96  ? 124 LEU   A CG    1 
ATOM   971  C  CD1   . LEU   A 1 131 ? 14.208  -32.828 -2.799  1.00 53.28  ? 124 LEU   A CD1   1 
ATOM   972  C  CD2   . LEU   A 1 131 ? 11.781  -33.471 -3.138  1.00 53.22  ? 124 LEU   A CD2   1 
ATOM   973  N  N     . GLY   A 1 132 ? 11.813  -28.787 -5.671  1.00 45.40  ? 125 GLY   A N     1 
ATOM   974  C  CA    . GLY   A 1 132 ? 11.385  -27.392 -5.656  1.00 44.10  ? 125 GLY   A CA    1 
ATOM   975  C  C     . GLY   A 1 132 ? 10.114  -27.199 -6.455  1.00 47.14  ? 125 GLY   A C     1 
ATOM   976  O  O     . GLY   A 1 132 ? 9.159   -26.588 -5.982  1.00 47.20  ? 125 GLY   A O     1 
ATOM   977  N  N     . LEU   A 1 133 ? 10.082  -27.754 -7.653  1.00 43.68  ? 126 LEU   A N     1 
ATOM   978  C  CA    . LEU   A 1 133 ? 8.918   -27.702 -8.520  1.00 42.62  ? 126 LEU   A CA    1 
ATOM   979  C  C     . LEU   A 1 133 ? 7.714   -28.410 -7.891  1.00 49.89  ? 126 LEU   A C     1 
ATOM   980  O  O     . LEU   A 1 133 ? 6.627   -27.838 -7.872  1.00 51.63  ? 126 LEU   A O     1 
ATOM   981  C  CB    . LEU   A 1 133 ? 9.246   -28.249 -9.911  1.00 41.17  ? 126 LEU   A CB    1 
ATOM   982  C  CG    . LEU   A 1 133 ? 10.086  -27.321 -10.770 1.00 42.47  ? 126 LEU   A CG    1 
ATOM   983  C  CD1   . LEU   A 1 133 ? 10.628  -28.076 -12.011 1.00 42.66  ? 126 LEU   A CD1   1 
ATOM   984  C  CD2   . LEU   A 1 133 ? 9.330   -26.029 -11.129 1.00 38.09  ? 126 LEU   A CD2   1 
ATOM   985  N  N     . LEU   A 1 134 ? 7.917   -29.597 -7.313  1.00 46.91  ? 127 LEU   A N     1 
ATOM   986  C  CA    . LEU   A 1 134 ? 6.860   -30.316 -6.597  1.00 47.23  ? 127 LEU   A CA    1 
ATOM   987  C  C     . LEU   A 1 134 ? 6.317   -29.497 -5.404  1.00 51.78  ? 127 LEU   A C     1 
ATOM   988  O  O     . LEU   A 1 134 ? 5.100   -29.453 -5.217  1.00 53.49  ? 127 LEU   A O     1 
ATOM   989  C  CB    . LEU   A 1 134 ? 7.341   -31.685 -6.106  1.00 47.81  ? 127 LEU   A CB    1 
ATOM   990  C  CG    . LEU   A 1 134 ? 7.550   -32.774 -7.144  1.00 52.75  ? 127 LEU   A CG    1 
ATOM   991  C  CD1   . LEU   A 1 134 ? 8.162   -34.000 -6.493  1.00 54.40  ? 127 LEU   A CD1   1 
ATOM   992  C  CD2   . LEU   A 1 134 ? 6.253   -33.137 -7.856  1.00 53.10  ? 127 LEU   A CD2   1 
ATOM   993  N  N     . ALA   A 1 135 ? 7.206   -28.823 -4.633  1.00 47.03  ? 128 ALA   A N     1 
ATOM   994  C  CA    . ALA   A 1 135 ? 6.847   -27.977 -3.474  1.00 46.64  ? 128 ALA   A CA    1 
ATOM   995  C  C     . ALA   A 1 135 ? 5.975   -26.777 -3.855  1.00 54.64  ? 128 ALA   A C     1 
ATOM   996  O  O     . ALA   A 1 135 ? 5.302   -26.208 -3.004  1.00 54.25  ? 128 ALA   A O     1 
ATOM   997  C  CB    . ALA   A 1 135 ? 8.095   -27.501 -2.755  1.00 45.94  ? 128 ALA   A CB    1 
ATOM   998  N  N     . HIS   A 1 136 ? 6.000   -26.398 -5.123  1.00 56.12  ? 129 HIS   A N     1 
ATOM   999  C  CA    . HIS   A 1 136 ? 5.240   -25.287 -5.663  1.00 58.61  ? 129 HIS   A CA    1 
ATOM   1000 C  C     . HIS   A 1 136 ? 4.012   -25.743 -6.449  1.00 65.55  ? 129 HIS   A C     1 
ATOM   1001 O  O     . HIS   A 1 136 ? 3.293   -24.888 -6.933  1.00 68.90  ? 129 HIS   A O     1 
ATOM   1002 C  CB    . HIS   A 1 136 ? 6.164   -24.351 -6.490  1.00 60.07  ? 129 HIS   A CB    1 
ATOM   1003 C  CG    . HIS   A 1 136 ? 7.208   -23.672 -5.637  1.00 64.50  ? 129 HIS   A CG    1 
ATOM   1004 N  ND1   . HIS   A 1 136 ? 7.048   -22.363 -5.194  1.00 66.77  ? 129 HIS   A ND1   1 
ATOM   1005 C  CD2   . HIS   A 1 136 ? 8.352   -24.173 -5.101  1.00 66.56  ? 129 HIS   A CD2   1 
ATOM   1006 C  CE1   . HIS   A 1 136 ? 8.104   -22.113 -4.430  1.00 66.53  ? 129 HIS   A CE1   1 
ATOM   1007 N  NE2   . HIS   A 1 136 ? 8.920   -23.169 -4.351  1.00 66.67  ? 129 HIS   A NE2   1 
ATOM   1008 N  N     . PHE   A 1 137 ? 3.746   -27.061 -6.567  1.00 61.48  ? 130 PHE   A N     1 
ATOM   1009 C  CA    . PHE   A 1 137 ? 2.578   -27.556 -7.300  1.00 61.88  ? 130 PHE   A CA    1 
ATOM   1010 C  C     . PHE   A 1 137 ? 1.721   -28.552 -6.487  1.00 63.63  ? 130 PHE   A C     1 
ATOM   1011 O  O     . PHE   A 1 137 ? 0.500   -28.444 -6.501  1.00 63.87  ? 130 PHE   A O     1 
ATOM   1012 C  CB    . PHE   A 1 137 ? 2.945   -28.132 -8.692  1.00 64.74  ? 130 PHE   A CB    1 
ATOM   1013 C  CG    . PHE   A 1 137 ? 1.803   -28.900 -9.347  1.00 69.92  ? 130 PHE   A CG    1 
ATOM   1014 C  CD1   . PHE   A 1 137 ? 0.666   -28.234 -9.816  1.00 75.31  ? 130 PHE   A CD1   1 
ATOM   1015 C  CD2   . PHE   A 1 137 ? 1.822   -30.292 -9.413  1.00 73.71  ? 130 PHE   A CD2   1 
ATOM   1016 C  CE1   . PHE   A 1 137 ? -0.414  -28.949 -10.368 1.00 77.21  ? 130 PHE   A CE1   1 
ATOM   1017 C  CE2   . PHE   A 1 137 ? 0.740   -31.004 -9.968  1.00 78.10  ? 130 PHE   A CE2   1 
ATOM   1018 C  CZ    . PHE   A 1 137 ? -0.360  -30.327 -10.452 1.00 76.49  ? 130 PHE   A CZ    1 
ATOM   1019 N  N     . LEU   A 1 138 ? 2.348   -29.556 -5.867  1.00 58.55  ? 131 LEU   A N     1 
ATOM   1020 C  CA    . LEU   A 1 138 ? 1.668   -30.570 -5.069  1.00 58.45  ? 131 LEU   A CA    1 
ATOM   1021 C  C     . LEU   A 1 138 ? 0.851   -29.947 -3.910  1.00 58.09  ? 131 LEU   A C     1 
ATOM   1022 O  O     . LEU   A 1 138 ? -0.325  -30.292 -3.810  1.00 58.45  ? 131 LEU   A O     1 
ATOM   1023 C  CB    . LEU   A 1 138 ? 2.682   -31.620 -4.568  1.00 59.16  ? 131 LEU   A CB    1 
ATOM   1024 C  CG    . LEU   A 1 138 ? 2.667   -33.009 -5.192  1.00 65.14  ? 131 LEU   A CG    1 
ATOM   1025 C  CD1   . LEU   A 1 138 ? 2.460   -32.958 -6.702  1.00 65.25  ? 131 LEU   A CD1   1 
ATOM   1026 C  CD2   . LEU   A 1 138 ? 3.944   -33.762 -4.848  1.00 66.17  ? 131 LEU   A CD2   1 
ATOM   1027 N  N     . PRO   A 1 139 ? 1.365   -28.978 -3.091  1.00 51.61  ? 132 PRO   A N     1 
ATOM   1028 C  CA    . PRO   A 1 139 ? 0.522   -28.394 -2.036  1.00 50.79  ? 132 PRO   A CA    1 
ATOM   1029 C  C     . PRO   A 1 139 ? -0.746  -27.701 -2.544  1.00 55.74  ? 132 PRO   A C     1 
ATOM   1030 O  O     . PRO   A 1 139 ? -1.790  -27.800 -1.903  1.00 56.53  ? 132 PRO   A O     1 
ATOM   1031 C  CB    . PRO   A 1 139 ? 1.472   -27.409 -1.350  1.00 51.10  ? 132 PRO   A CB    1 
ATOM   1032 C  CG    . PRO   A 1 139 ? 2.816   -27.965 -1.588  1.00 54.95  ? 132 PRO   A CG    1 
ATOM   1033 C  CD    . PRO   A 1 139 ? 2.731   -28.415 -3.010  1.00 50.82  ? 132 PRO   A CD    1 
ATOM   1034 N  N     . ALA   A 1 140 ? -0.660  -27.004 -3.695  1.00 52.53  ? 133 ALA   A N     1 
ATOM   1035 C  CA    . ALA   A 1 140 ? -1.778  -26.277 -4.306  1.00 52.40  ? 133 ALA   A CA    1 
ATOM   1036 C  C     . ALA   A 1 140 ? -2.835  -27.243 -4.806  1.00 56.03  ? 133 ALA   A C     1 
ATOM   1037 O  O     . ALA   A 1 140 ? -4.025  -26.980 -4.656  1.00 57.91  ? 133 ALA   A O     1 
ATOM   1038 C  CB    . ALA   A 1 140 ? -1.273  -25.424 -5.453  1.00 52.28  ? 133 ALA   A CB    1 
ATOM   1039 N  N     . ALA   A 1 141 ? -2.391  -28.366 -5.390  1.00 51.23  ? 134 ALA   A N     1 
ATOM   1040 C  CA    . ALA   A 1 141 ? -3.233  -29.445 -5.898  1.00 51.34  ? 134 ALA   A CA    1 
ATOM   1041 C  C     . ALA   A 1 141 ? -3.933  -30.165 -4.725  1.00 55.73  ? 134 ALA   A C     1 
ATOM   1042 O  O     . ALA   A 1 141 ? -5.130  -30.440 -4.812  1.00 58.08  ? 134 ALA   A O     1 
ATOM   1043 C  CB    . ALA   A 1 141 ? -2.395  -30.409 -6.723  1.00 51.31  ? 134 ALA   A CB    1 
ATOM   1044 N  N     . LEU   A 1 142 ? -3.204  -30.388 -3.608  1.00 50.37  ? 135 LEU   A N     1 
ATOM   1045 C  CA    . LEU   A 1 142 ? -3.703  -30.984 -2.360  1.00 50.39  ? 135 LEU   A CA    1 
ATOM   1046 C  C     . LEU   A 1 142 ? -4.799  -30.116 -1.768  1.00 55.17  ? 135 LEU   A C     1 
ATOM   1047 O  O     . LEU   A 1 142 ? -5.842  -30.637 -1.393  1.00 57.94  ? 135 LEU   A O     1 
ATOM   1048 C  CB    . LEU   A 1 142 ? -2.559  -31.100 -1.334  1.00 49.02  ? 135 LEU   A CB    1 
ATOM   1049 C  CG    . LEU   A 1 142 ? -2.527  -32.286 -0.370  1.00 52.91  ? 135 LEU   A CG    1 
ATOM   1050 C  CD1   . LEU   A 1 142 ? -2.131  -31.867 0.971   1.00 50.96  ? 135 LEU   A CD1   1 
ATOM   1051 C  CD2   . LEU   A 1 142 ? -3.789  -33.149 -0.398  1.00 56.09  ? 135 LEU   A CD2   1 
ATOM   1052 N  N     . ARG   A 1 143 ? -4.571  -28.797 -1.700  1.00 51.68  ? 136 ARG   A N     1 
ATOM   1053 C  CA    . ARG   A 1 143 ? -5.513  -27.818 -1.174  1.00 52.07  ? 136 ARG   A CA    1 
ATOM   1054 C  C     . ARG   A 1 143 ? -6.802  -27.802 -2.010  1.00 57.39  ? 136 ARG   A C     1 
ATOM   1055 O  O     . ARG   A 1 143 ? -7.896  -27.861 -1.439  1.00 58.73  ? 136 ARG   A O     1 
ATOM   1056 C  CB    . ARG   A 1 143 ? -4.857  -26.437 -1.139  1.00 52.52  ? 136 ARG   A CB    1 
ATOM   1057 C  CG    . ARG   A 1 143 ? -5.629  -25.407 -0.308  1.00 61.62  ? 136 ARG   A CG    1 
ATOM   1058 C  CD    . ARG   A 1 143 ? -5.011  -24.038 -0.458  1.00 70.95  ? 136 ARG   A CD    1 
ATOM   1059 N  NE    . ARG   A 1 143 ? -5.673  -23.039 0.385   1.00 90.98  ? 136 ARG   A NE    1 
ATOM   1060 C  CZ    . ARG   A 1 143 ? -6.711  -22.292 0.005   1.00 105.27 ? 136 ARG   A CZ    1 
ATOM   1061 N  NH1   . ARG   A 1 143 ? -7.249  -21.416 0.846   1.00 91.98  ? 136 ARG   A NH1   1 
ATOM   1062 N  NH2   . ARG   A 1 143 ? -7.227  -22.424 -1.213  1.00 85.86  ? 136 ARG   A NH2   1 
ATOM   1063 N  N     . ALA   A 1 144 ? -6.670  -27.777 -3.365  1.00 52.65  ? 137 ALA   A N     1 
ATOM   1064 C  CA    . ALA   A 1 144 ? -7.811  -27.797 -4.278  1.00 52.79  ? 137 ALA   A CA    1 
ATOM   1065 C  C     . ALA   A 1 144 ? -8.594  -29.098 -4.158  1.00 57.30  ? 137 ALA   A C     1 
ATOM   1066 O  O     . ALA   A 1 144 ? -9.822  -29.039 -4.069  1.00 58.64  ? 137 ALA   A O     1 
ATOM   1067 C  CB    . ALA   A 1 144 ? -7.360  -27.567 -5.708  1.00 52.73  ? 137 ALA   A CB    1 
ATOM   1068 N  N     . ALA   A 1 145 ? -7.896  -30.266 -4.090  1.00 53.08  ? 138 ALA   A N     1 
ATOM   1069 C  CA    . ALA   A 1 145 ? -8.544  -31.587 -3.939  1.00 54.16  ? 138 ALA   A CA    1 
ATOM   1070 C  C     . ALA   A 1 145 ? -9.360  -31.636 -2.659  1.00 58.99  ? 138 ALA   A C     1 
ATOM   1071 O  O     . ALA   A 1 145 ? -10.539 -32.001 -2.714  1.00 61.99  ? 138 ALA   A O     1 
ATOM   1072 C  CB    . ALA   A 1 145 ? -7.513  -32.715 -3.961  1.00 54.58  ? 138 ALA   A CB    1 
ATOM   1073 N  N     . LEU   A 1 146 ? -8.768  -31.190 -1.519  1.00 52.19  ? 139 LEU   A N     1 
ATOM   1074 C  CA    . LEU   A 1 146 ? -9.440  -31.167 -0.206  1.00 51.34  ? 139 LEU   A CA    1 
ATOM   1075 C  C     . LEU   A 1 146 ? -10.640 -30.200 -0.160  1.00 57.61  ? 139 LEU   A C     1 
ATOM   1076 O  O     . LEU   A 1 146 ? -11.571 -30.416 0.606   1.00 59.19  ? 139 LEU   A O     1 
ATOM   1077 C  CB    . LEU   A 1 146 ? -8.429  -30.855 0.927   1.00 48.86  ? 139 LEU   A CB    1 
ATOM   1078 C  CG    . LEU   A 1 146 ? -7.389  -31.946 1.231   1.00 50.62  ? 139 LEU   A CG    1 
ATOM   1079 C  CD1   . LEU   A 1 146 ? -6.221  -31.394 2.014   1.00 46.27  ? 139 LEU   A CD1   1 
ATOM   1080 C  CD2   . LEU   A 1 146 ? -8.030  -33.135 1.983   1.00 53.90  ? 139 LEU   A CD2   1 
ATOM   1081 N  N     . LEU   A 1 147 ? -10.609 -29.133 -0.962  1.00 54.18  ? 140 LEU   A N     1 
ATOM   1082 C  CA    . LEU   A 1 147 ? -11.677 -28.131 -1.020  1.00 54.21  ? 140 LEU   A CA    1 
ATOM   1083 C  C     . LEU   A 1 147 ? -12.716 -28.432 -2.107  1.00 62.32  ? 140 LEU   A C     1 
ATOM   1084 O  O     . LEU   A 1 147 ? -13.673 -27.686 -2.252  1.00 62.24  ? 140 LEU   A O     1 
ATOM   1085 C  CB    . LEU   A 1 147 ? -11.038 -26.742 -1.241  1.00 51.53  ? 140 LEU   A CB    1 
ATOM   1086 C  CG    . LEU   A 1 147 ? -10.769 -25.832 -0.023  1.00 53.78  ? 140 LEU   A CG    1 
ATOM   1087 C  CD1   . LEU   A 1 147 ? -11.112 -26.463 1.329   1.00 53.79  ? 140 LEU   A CD1   1 
ATOM   1088 C  CD2   . LEU   A 1 147 ? -9.443  -25.155 -0.105  1.00 51.05  ? 140 LEU   A CD2   1 
ATOM   1089 N  N     . GLY   A 1 148 ? -12.518 -29.521 -2.854  1.00 63.03  ? 141 GLY   A N     1 
ATOM   1090 C  CA    . GLY   A 1 148 ? -13.382 -29.935 -3.958  1.00 64.97  ? 141 GLY   A CA    1 
ATOM   1091 C  C     . GLY   A 1 148 ? -13.366 -28.940 -5.098  1.00 70.75  ? 141 GLY   A C     1 
ATOM   1092 O  O     . GLY   A 1 148 ? -14.394 -28.699 -5.724  1.00 71.93  ? 141 GLY   A O     1 
ATOM   1093 N  N     . ARG   A 1 149 ? -12.206 -28.316 -5.330  1.00 68.20  ? 142 ARG   A N     1 
ATOM   1094 C  CA    . ARG   A 1 149 ? -11.989 -27.278 -6.331  1.00 68.80  ? 142 ARG   A CA    1 
ATOM   1095 C  C     . ARG   A 1 149 ? -10.862 -27.662 -7.293  1.00 76.85  ? 142 ARG   A C     1 
ATOM   1096 O  O     . ARG   A 1 149 ? -10.231 -26.758 -7.851  1.00 75.12  ? 142 ARG   A O     1 
ATOM   1097 C  CB    . ARG   A 1 149 ? -11.636 -25.940 -5.625  1.00 68.03  ? 142 ARG   A CB    1 
ATOM   1098 C  CG    . ARG   A 1 149 ? -12.749 -25.318 -4.776  1.00 80.27  ? 142 ARG   A CG    1 
ATOM   1099 C  CD    . ARG   A 1 149 ? -13.824 -24.673 -5.633  1.00 87.07  ? 142 ARG   A CD    1 
ATOM   1100 N  NE    . ARG   A 1 149 ? -14.869 -24.012 -4.848  1.00 85.72  ? 142 ARG   A NE    1 
ATOM   1101 C  CZ    . ARG   A 1 149 ? -15.973 -24.609 -4.411  1.00 101.54 ? 142 ARG   A CZ    1 
ATOM   1102 N  NH1   . ARG   A 1 149 ? -16.170 -25.905 -4.632  1.00 95.72  ? 142 ARG   A NH1   1 
ATOM   1103 N  NH2   . ARG   A 1 149 ? -16.878 -23.922 -3.730  1.00 84.02  ? 142 ARG   A NH2   1 
ATOM   1104 N  N     . LEU   A 1 150 ? -10.591 -28.988 -7.476  1.00 78.65  ? 143 LEU   A N     1 
ATOM   1105 C  CA    . LEU   A 1 150 ? -9.512  -29.492 -8.346  1.00 80.00  ? 143 LEU   A CA    1 
ATOM   1106 C  C     . LEU   A 1 150 ? -9.702  -29.156 -9.820  1.00 90.06  ? 143 LEU   A C     1 
ATOM   1107 O  O     . LEU   A 1 150 ? -8.745  -28.721 -10.460 1.00 86.98  ? 143 LEU   A O     1 
ATOM   1108 C  CB    . LEU   A 1 150 ? -9.265  -31.003 -8.182  1.00 80.91  ? 143 LEU   A CB    1 
ATOM   1109 C  CG    . LEU   A 1 150 ? -7.881  -31.459 -7.706  1.00 83.56  ? 143 LEU   A CG    1 
ATOM   1110 C  CD1   . LEU   A 1 150 ? -7.734  -32.944 -7.896  1.00 85.48  ? 143 LEU   A CD1   1 
ATOM   1111 C  CD2   . LEU   A 1 150 ? -6.734  -30.717 -8.402  1.00 80.81  ? 143 LEU   A CD2   1 
ATOM   1112 N  N     . ARG   A 1 151 ? -10.937 -29.362 -10.349 1.00 94.52  ? 144 ARG   A N     1 
ATOM   1113 C  CA    . ARG   A 1 151 ? -11.339 -29.073 -11.733 1.00 97.51  ? 144 ARG   A CA    1 
ATOM   1114 C  C     . ARG   A 1 151 ? -11.012 -27.610 -12.097 1.00 104.11 ? 144 ARG   A C     1 
ATOM   1115 O  O     . ARG   A 1 151 ? -10.547 -27.344 -13.206 1.00 103.99 ? 144 ARG   A O     1 
ATOM   1116 C  CB    . ARG   A 1 151 ? -12.833 -29.435 -11.944 1.00 101.28 ? 144 ARG   A CB    1 
ATOM   1117 C  CG    . ARG   A 1 151 ? -13.591 -28.667 -13.035 1.00 120.16 ? 144 ARG   A CG    1 
ATOM   1118 C  CD    . ARG   A 1 151 ? -13.300 -29.163 -14.447 1.00 140.34 ? 144 ARG   A CD    1 
ATOM   1119 N  NE    . ARG   A 1 151 ? -13.292 -28.063 -15.415 1.00 152.93 ? 144 ARG   A NE    1 
ATOM   1120 C  CZ    . ARG   A 1 151 ? -14.361 -27.629 -16.079 1.00 170.42 ? 144 ARG   A CZ    1 
ATOM   1121 N  NH1   . ARG   A 1 151 ? -15.546 -28.201 -15.891 1.00 158.51 ? 144 ARG   A NH1   1 
ATOM   1122 N  NH2   . ARG   A 1 151 ? -14.254 -26.620 -16.932 1.00 158.36 ? 144 ARG   A NH2   1 
ATOM   1123 N  N     . THR   A 1 152 ? -11.189 -26.687 -11.135 1.00 102.70 ? 145 THR   A N     1 
ATOM   1124 C  CA    . THR   A 1 152 ? -10.890 -25.263 -11.305 1.00 102.86 ? 145 THR   A CA    1 
ATOM   1125 C  C     . THR   A 1 152 ? -9.360  -25.022 -11.391 1.00 108.22 ? 145 THR   A C     1 
ATOM   1126 O  O     . THR   A 1 152 ? -8.944  -24.096 -12.083 1.00 107.58 ? 145 THR   A O     1 
ATOM   1127 C  CB    . THR   A 1 152 ? -11.608 -24.388 -10.243 1.00 110.30 ? 145 THR   A CB    1 
ATOM   1128 O  OG1   . THR   A 1 152 ? -10.744 -24.130 -9.137  1.00 111.52 ? 145 THR   A OG1   1 
ATOM   1129 C  CG2   . THR   A 1 152 ? -12.952 -24.977 -9.771  1.00 108.09 ? 145 THR   A CG2   1 
ATOM   1130 N  N     . LEU   A 1 153 ? -8.535  -25.859 -10.716 1.00 106.60 ? 146 LEU   A N     1 
ATOM   1131 C  CA    . LEU   A 1 153 ? -7.065  -25.759 -10.747 1.00 105.80 ? 146 LEU   A CA    1 
ATOM   1132 C  C     . LEU   A 1 153 ? -6.475  -26.472 -11.989 1.00 114.25 ? 146 LEU   A C     1 
ATOM   1133 O  O     . LEU   A 1 153 ? -5.513  -25.979 -12.591 1.00 112.86 ? 146 LEU   A O     1 
ATOM   1134 C  CB    . LEU   A 1 153 ? -6.439  -26.313 -9.448  1.00 104.52 ? 146 LEU   A CB    1 
ATOM   1135 C  CG    . LEU   A 1 153 ? -4.955  -25.983 -9.231  1.00 106.31 ? 146 LEU   A CG    1 
ATOM   1136 C  CD1   . LEU   A 1 153 ? -4.777  -24.704 -8.426  1.00 105.22 ? 146 LEU   A CD1   1 
ATOM   1137 C  CD2   . LEU   A 1 153 ? -4.240  -27.123 -8.568  1.00 106.91 ? 146 LEU   A CD2   1 
ATOM   1138 N  N     . LEU   A 1 154 ? -7.049  -27.643 -12.342 1.00 115.00 ? 147 LEU   A N     1 
ATOM   1139 C  CA    . LEU   A 1 154 ? -6.672  -28.475 -13.486 1.00 116.52 ? 147 LEU   A CA    1 
ATOM   1140 C  C     . LEU   A 1 154 ? -7.861  -29.335 -13.985 1.00 125.26 ? 147 LEU   A C     1 
ATOM   1141 O  O     . LEU   A 1 154 ? -8.200  -30.349 -13.362 1.00 125.64 ? 147 LEU   A O     1 
ATOM   1142 C  CB    . LEU   A 1 154 ? -5.390  -29.316 -13.244 1.00 115.60 ? 147 LEU   A CB    1 
ATOM   1143 C  CG    . LEU   A 1 154 ? -5.235  -30.064 -11.916 1.00 119.99 ? 147 LEU   A CG    1 
ATOM   1144 C  CD1   . LEU   A 1 154 ? -5.336  -31.561 -12.120 1.00 121.79 ? 147 LEU   A CD1   1 
ATOM   1145 C  CD2   . LEU   A 1 154 ? -3.910  -29.739 -11.277 1.00 119.81 ? 147 LEU   A CD2   1 
ATOM   1146 N  N     . PRO   A 1 155 ? -8.527  -28.917 -15.096 1.00 124.98 ? 148 PRO   A N     1 
ATOM   1147 C  CA    . PRO   A 1 155 ? -9.673  -29.698 -15.614 1.00 128.07 ? 148 PRO   A CA    1 
ATOM   1148 C  C     . PRO   A 1 155 ? -9.313  -31.116 -16.086 1.00 134.12 ? 148 PRO   A C     1 
ATOM   1149 O  O     . PRO   A 1 155 ? -10.100 -32.046 -15.893 1.00 135.85 ? 148 PRO   A O     1 
ATOM   1150 C  CB    . PRO   A 1 155 ? -10.206 -28.830 -16.765 1.00 130.76 ? 148 PRO   A CB    1 
ATOM   1151 C  CG    . PRO   A 1 155 ? -9.607  -27.466 -16.553 1.00 132.84 ? 148 PRO   A CG    1 
ATOM   1152 C  CD    . PRO   A 1 155 ? -8.277  -27.723 -15.929 1.00 126.01 ? 148 PRO   A CD    1 
ATOM   1153 N  N     . TRP   A 1 156 ? -8.115  -31.268 -16.687 1.00 129.98 ? 149 TRP   A N     1 
ATOM   1154 C  CA    . TRP   A 1 156 ? -7.546  -32.517 -17.209 1.00 166.03 ? 149 TRP   A CA    1 
ATOM   1155 C  C     . TRP   A 1 156 ? -7.196  -33.507 -16.080 1.00 189.84 ? 149 TRP   A C     1 
ATOM   1156 O  O     . TRP   A 1 156 ? -6.032  -33.850 -15.852 1.00 147.33 ? 149 TRP   A O     1 
ATOM   1157 C  CB    . TRP   A 1 156 ? -6.321  -32.213 -18.099 1.00 163.52 ? 149 TRP   A CB    1 
ATOM   1158 C  CG    . TRP   A 1 156 ? -5.456  -31.105 -17.573 1.00 161.82 ? 149 TRP   A CG    1 
ATOM   1159 C  CD1   . TRP   A 1 156 ? -4.478  -31.204 -16.628 1.00 162.93 ? 149 TRP   A CD1   1 
ATOM   1160 C  CD2   . TRP   A 1 156 ? -5.541  -29.714 -17.920 1.00 160.81 ? 149 TRP   A CD2   1 
ATOM   1161 N  NE1   . TRP   A 1 156 ? -3.932  -29.965 -16.378 1.00 160.46 ? 149 TRP   A NE1   1 
ATOM   1162 C  CE2   . TRP   A 1 156 ? -4.567  -29.031 -17.157 1.00 162.37 ? 149 TRP   A CE2   1 
ATOM   1163 C  CE3   . TRP   A 1 156 ? -6.347  -28.976 -18.807 1.00 163.24 ? 149 TRP   A CE3   1 
ATOM   1164 C  CZ2   . TRP   A 1 156 ? -4.372  -27.647 -17.257 1.00 160.47 ? 149 TRP   A CZ2   1 
ATOM   1165 C  CZ3   . TRP   A 1 156 ? -6.151  -27.607 -18.906 1.00 163.52 ? 149 TRP   A CZ3   1 
ATOM   1166 C  CH2   . TRP   A 1 156 ? -5.176  -26.956 -18.136 1.00 161.83 ? 149 TRP   A CH2   1 
HETATM 1167 S  S     . SO4   B 2 .   ? 4.347   -20.741 -3.301  1.00 140.86 ? 201 SO4   A S     1 
HETATM 1168 O  O1    . SO4   B 2 .   ? 4.701   -22.127 -3.608  1.00 140.44 ? 201 SO4   A O1    1 
HETATM 1169 O  O2    . SO4   B 2 .   ? 5.293   -19.821 -3.942  1.00 140.31 ? 201 SO4   A O2    1 
HETATM 1170 O  O3    . SO4   B 2 .   ? 2.992   -20.487 -3.790  1.00 142.20 ? 201 SO4   A O3    1 
HETATM 1171 O  O4    . SO4   B 2 .   ? 4.391   -20.535 -1.854  1.00 141.49 ? 201 SO4   A O4    1 
HETATM 1172 C  C1    . PLM   C 3 .   ? 16.013  -19.526 -0.207  1.00 88.72  ? 202 PLM   A C1    1 
HETATM 1173 O  O1    . PLM   C 3 .   ? 14.973  -20.096 0.446   1.00 89.23  ? 202 PLM   A O1    1 
HETATM 1174 O  O2    . PLM   C 3 .   ? 16.026  -19.302 -1.427  1.00 84.50  ? 202 PLM   A O2    1 
HETATM 1175 C  C2    . PLM   C 3 .   ? 17.176  -19.160 0.701   1.00 88.97  ? 202 PLM   A C2    1 
HETATM 1176 C  C3    . PLM   C 3 .   ? 18.478  -19.962 0.408   1.00 84.66  ? 202 PLM   A C3    1 
HETATM 1177 C  C4    . PLM   C 3 .   ? 19.264  -20.377 1.676   1.00 83.45  ? 202 PLM   A C4    1 
HETATM 1178 C  C5    . PLM   C 3 .   ? 18.920  -21.827 2.104   1.00 83.12  ? 202 PLM   A C5    1 
HETATM 1179 C  C6    . PLM   C 3 .   ? 19.989  -22.841 1.620   1.00 82.94  ? 202 PLM   A C6    1 
HETATM 1180 C  C7    . PLM   C 3 .   ? 19.818  -24.278 2.197   1.00 85.01  ? 202 PLM   A C7    1 
HETATM 1181 C  C8    . PLM   C 3 .   ? 21.048  -24.782 3.025   1.00 88.42  ? 202 PLM   A C8    1 
HETATM 1182 C  C9    . PLM   C 3 .   ? 22.399  -24.908 2.241   1.00 87.58  ? 202 PLM   A C9    1 
HETATM 1183 C  CA    . PLM   C 3 .   ? 22.756  -26.379 1.864   1.00 86.52  ? 202 PLM   A CA    1 
HETATM 1184 C  C1    . PAM   D 4 .   ? 1.430   -22.679 -13.097 1.00 104.23 ? 203 PAM   A C1    1 
HETATM 1185 O  O1    . PAM   D 4 .   ? 0.279   -22.378 -13.719 1.00 106.08 ? 203 PAM   A O1    1 
HETATM 1186 O  O2    . PAM   D 4 .   ? 2.537   -22.401 -13.564 1.00 102.53 ? 203 PAM   A O2    1 
HETATM 1187 C  C2    . PAM   D 4 .   ? 1.220   -23.381 -11.769 1.00 102.07 ? 203 PAM   A C2    1 
HETATM 1188 C  C3    . PAM   D 4 .   ? 2.337   -24.381 -11.338 1.00 99.62  ? 203 PAM   A C3    1 
HETATM 1189 C  C4    . PAM   D 4 .   ? 2.559   -25.609 -12.272 1.00 94.64  ? 203 PAM   A C4    1 
HETATM 1190 C  C5    . PAM   D 4 .   ? 3.953   -26.224 -11.972 1.00 90.25  ? 203 PAM   A C5    1 
HETATM 1191 C  C6    . PAM   D 4 .   ? 4.056   -27.713 -12.376 1.00 89.40  ? 203 PAM   A C6    1 
HETATM 1192 C  C7    . PAM   D 4 .   ? 5.163   -28.444 -11.566 1.00 87.05  ? 203 PAM   A C7    1 
HETATM 1193 C  C8    . PAM   D 4 .   ? 4.959   -29.985 -11.628 1.00 85.51  ? 203 PAM   A C8    1 
HETATM 1194 C  C9    . PAM   D 4 .   ? 6.220   -30.694 -12.064 1.00 81.72  ? 203 PAM   A C9    1 
HETATM 1195 C  C10   . PAM   D 4 .   ? 7.099   -31.332 -11.277 1.00 79.90  ? 203 PAM   A C10   1 
HETATM 1196 C  C11   . PAM   D 4 .   ? 8.346   -32.024 -11.784 1.00 80.27  ? 203 PAM   A C11   1 
HETATM 1197 C  C12   . PAM   D 4 .   ? 9.026   -32.824 -10.645 1.00 81.18  ? 203 PAM   A C12   1 
HETATM 1198 C  C8    . PLM   E 3 .   ? 37.134  -27.109 -2.000  1.00 115.48 ? 204 PLM   A C8    1 
HETATM 1199 C  C9    . PLM   E 3 .   ? 37.972  -25.916 -2.532  1.00 116.20 ? 204 PLM   A C9    1 
HETATM 1200 C  CA    . PLM   E 3 .   ? 39.327  -26.404 -3.116  1.00 118.39 ? 204 PLM   A CA    1 
HETATM 1201 C  CB    . PLM   E 3 .   ? 40.107  -25.241 -3.794  1.00 119.14 ? 204 PLM   A CB    1 
HETATM 1202 C  CC    . PLM   E 3 .   ? 40.166  -25.406 -5.338  1.00 117.49 ? 204 PLM   A CC    1 
HETATM 1203 C  CD    . PLM   E 3 .   ? 39.491  -24.214 -6.078  1.00 115.06 ? 204 PLM   A CD    1 
HETATM 1204 C  CE    . PLM   E 3 .   ? 39.972  -24.080 -7.553  1.00 112.68 ? 204 PLM   A CE    1 
HETATM 1205 C  CF    . PLM   E 3 .   ? 41.072  -22.996 -7.719  1.00 112.59 ? 204 PLM   A CF    1 
HETATM 1206 C  C7    . PLM   F 3 .   ? 32.178  -26.610 -0.749  1.00 91.86  ? 205 PLM   A C7    1 
HETATM 1207 C  C8    . PLM   F 3 .   ? 32.291  -26.043 -2.195  1.00 88.92  ? 205 PLM   A C8    1 
HETATM 1208 C  C9    . PLM   F 3 .   ? 33.619  -26.501 -2.863  1.00 88.21  ? 205 PLM   A C9    1 
HETATM 1209 C  CA    . PLM   F 3 .   ? 33.824  -25.888 -4.277  1.00 85.62  ? 205 PLM   A CA    1 
HETATM 1210 C  CB    . PLM   F 3 .   ? 34.771  -24.655 -4.264  1.00 85.10  ? 205 PLM   A CB    1 
HETATM 1211 C  CC    . PLM   F 3 .   ? 35.743  -24.658 -5.475  1.00 85.44  ? 205 PLM   A CC    1 
HETATM 1212 C  CD    . PLM   F 3 .   ? 35.208  -23.856 -6.697  1.00 85.13  ? 205 PLM   A CD    1 
HETATM 1213 C  CE    . PLM   F 3 .   ? 36.200  -23.951 -7.899  1.00 86.82  ? 205 PLM   A CE    1 
HETATM 1214 C  CF    . PLM   F 3 .   ? 35.500  -23.803 -9.284  1.00 83.58  ? 205 PLM   A CF    1 
HETATM 1215 C  CG    . PLM   F 3 .   ? 36.508  -23.379 -10.379 1.00 83.63  ? 205 PLM   A CG    1 
HETATM 1216 C  CA    . PLM   G 3 .   ? -6.958  -36.299 -6.400  1.00 86.88  ? 206 PLM   A CA    1 
HETATM 1217 C  CB    . PLM   G 3 .   ? -5.669  -36.147 -5.535  1.00 85.75  ? 206 PLM   A CB    1 
HETATM 1218 C  CC    . PLM   G 3 .   ? -4.823  -34.881 -5.877  1.00 80.17  ? 206 PLM   A CC    1 
HETATM 1219 C  CD    . PLM   G 3 .   ? -3.900  -34.466 -4.692  1.00 75.91  ? 206 PLM   A CD    1 
HETATM 1220 C  CE    . PLM   G 3 .   ? -2.397  -34.472 -5.092  1.00 73.65  ? 206 PLM   A CE    1 
HETATM 1221 C  CF    . PLM   G 3 .   ? -1.443  -34.007 -3.953  1.00 72.18  ? 206 PLM   A CF    1 
HETATM 1222 C  CG    . PLM   G 3 .   ? -0.751  -35.197 -3.229  1.00 72.64  ? 206 PLM   A CG    1 
HETATM 1223 C  C5    . PLM   H 3 .   ? 2.463   -31.924 -13.394 1.00 101.94 ? 207 PLM   A C5    1 
HETATM 1224 C  C6    . PLM   H 3 .   ? 2.393   -30.603 -14.213 1.00 99.97  ? 207 PLM   A C6    1 
HETATM 1225 C  C7    . PLM   H 3 .   ? 1.195   -29.717 -13.766 1.00 97.77  ? 207 PLM   A C7    1 
HETATM 1226 C  C8    . PLM   H 3 .   ? 0.478   -29.020 -14.955 1.00 96.09  ? 207 PLM   A C8    1 
HETATM 1227 C  C9    . PLM   H 3 .   ? -0.123  -27.652 -14.517 1.00 94.78  ? 207 PLM   A C9    1 
HETATM 1228 C  CA    . PLM   H 3 .   ? -1.181  -27.113 -15.523 1.00 94.84  ? 207 PLM   A CA    1 
HETATM 1229 C  CB    . PLM   H 3 .   ? -1.447  -25.593 -15.319 1.00 93.09  ? 207 PLM   A CB    1 
HETATM 1230 C  C6    . PLM   I 3 .   ? 11.407  -14.823 -11.025 1.00 78.23  ? 208 PLM   A C6    1 
HETATM 1231 C  C7    . PLM   I 3 .   ? 12.234  -16.073 -11.434 1.00 78.82  ? 208 PLM   A C7    1 
HETATM 1232 C  C8    . PLM   I 3 .   ? 12.970  -15.856 -12.788 1.00 79.86  ? 208 PLM   A C8    1 
HETATM 1233 C  C9    . PLM   I 3 .   ? 13.328  -17.204 -13.478 1.00 79.06  ? 208 PLM   A C9    1 
HETATM 1234 C  CA    . PLM   I 3 .   ? 14.806  -17.231 -13.972 1.00 79.27  ? 208 PLM   A CA    1 
HETATM 1235 C  CB    . PLM   I 3 .   ? 14.954  -17.876 -15.380 1.00 77.55  ? 208 PLM   A CB    1 
HETATM 1236 C  CC    . PLM   I 3 .   ? 15.716  -19.220 -15.319 1.00 76.72  ? 208 PLM   A CC    1 
HETATM 1237 C  CD    . PLM   I 3 .   ? 16.785  -19.281 -16.437 1.00 76.15  ? 208 PLM   A CD    1 
HETATM 1238 C  CE    . PLM   I 3 .   ? 16.501  -20.430 -17.439 1.00 75.68  ? 208 PLM   A CE    1 
HETATM 1239 C  CF    . PLM   I 3 .   ? 17.465  -21.625 -17.260 1.00 74.55  ? 208 PLM   A CF    1 
HETATM 1240 C  CG    . PLM   I 3 .   ? 18.797  -21.377 -18.021 1.00 75.37  ? 208 PLM   A CG    1 
HETATM 1241 C  C7    . PAM   J 4 .   ? 17.191  -36.676 -1.968  1.00 84.19  ? 209 PAM   A C7    1 
HETATM 1242 C  C8    . PAM   J 4 .   ? 16.408  -36.282 -3.251  1.00 82.80  ? 209 PAM   A C8    1 
HETATM 1243 C  C9    . PAM   J 4 .   ? 15.674  -37.469 -3.857  1.00 83.29  ? 209 PAM   A C9    1 
HETATM 1244 C  C10   . PAM   J 4 .   ? 14.675  -37.465 -4.772  1.00 81.21  ? 209 PAM   A C10   1 
HETATM 1245 C  C11   . PAM   J 4 .   ? 14.014  -36.270 -5.430  1.00 79.18  ? 209 PAM   A C11   1 
HETATM 1246 C  C12   . PAM   J 4 .   ? 13.218  -36.722 -6.675  1.00 79.44  ? 209 PAM   A C12   1 
HETATM 1247 C  C13   . PAM   J 4 .   ? 11.692  -36.568 -6.459  1.00 80.43  ? 209 PAM   A C13   1 
HETATM 1248 C  C14   . PAM   J 4 .   ? 10.996  -36.036 -7.742  1.00 81.82  ? 209 PAM   A C14   1 
HETATM 1249 C  C15   . PAM   J 4 .   ? 10.158  -37.126 -8.473  1.00 85.12  ? 209 PAM   A C15   1 
HETATM 1250 C  C16   . PAM   J 4 .   ? 9.800   -36.715 -9.931  1.00 83.70  ? 209 PAM   A C16   1 
HETATM 1251 C  C7    . PAM   K 4 .   ? 22.609  -38.153 -5.253  1.00 74.66  ? 210 PAM   A C7    1 
HETATM 1252 C  C8    . PAM   K 4 .   ? 21.963  -38.592 -6.594  1.00 74.26  ? 210 PAM   A C8    1 
HETATM 1253 C  C9    . PAM   K 4 .   ? 20.483  -38.256 -6.671  1.00 70.80  ? 210 PAM   A C9    1 
HETATM 1254 C  C10   . PAM   K 4 .   ? 19.690  -38.480 -7.741  1.00 68.27  ? 210 PAM   A C10   1 
HETATM 1255 C  C11   . PAM   K 4 .   ? 18.213  -38.157 -7.813  1.00 67.42  ? 210 PAM   A C11   1 
HETATM 1256 C  C12   . PAM   K 4 .   ? 17.682  -38.004 -9.261  1.00 66.20  ? 210 PAM   A C12   1 
HETATM 1257 C  C13   . PAM   K 4 .   ? 16.220  -37.494 -9.207  1.00 66.48  ? 210 PAM   A C13   1 
HETATM 1258 C  C14   . PAM   K 4 .   ? 15.569  -37.359 -10.607 1.00 67.70  ? 210 PAM   A C14   1 
HETATM 1259 C  C15   . PAM   K 4 .   ? 14.458  -36.273 -10.566 1.00 67.24  ? 210 PAM   A C15   1 
HETATM 1260 C  C16   . PAM   K 4 .   ? 13.282  -36.560 -11.538 1.00 68.38  ? 210 PAM   A C16   1 
HETATM 1261 C  C1    . PAM   L 4 .   ? -13.642 -30.866 -8.124  1.00 118.74 ? 211 PAM   A C1    1 
HETATM 1262 O  O1    . PAM   L 4 .   ? -12.519 -31.095 -7.419  1.00 115.65 ? 211 PAM   A O1    1 
HETATM 1263 O  O2    . PAM   L 4 .   ? -13.815 -29.842 -8.780  1.00 117.04 ? 211 PAM   A O2    1 
HETATM 1264 C  C2    . PAM   L 4 .   ? -14.699 -31.950 -8.034  1.00 123.26 ? 211 PAM   A C2    1 
HETATM 1265 C  C3    . PAM   L 4 .   ? -14.241 -33.333 -8.584  1.00 125.79 ? 211 PAM   A C3    1 
HETATM 1266 C  C4    . PAM   L 4 .   ? -14.103 -34.400 -7.459  1.00 127.45 ? 211 PAM   A C4    1 
HETATM 1267 C  C5    . PAM   L 4 .   ? -13.023 -35.467 -7.798  1.00 127.73 ? 211 PAM   A C5    1 
HETATM 1268 C  C6    . PAM   L 4 .   ? -11.834 -35.438 -6.796  1.00 126.46 ? 211 PAM   A C6    1 
HETATM 1269 C  C7    . PAM   L 4 .   ? -11.865 -36.649 -5.818  1.00 128.76 ? 211 PAM   A C7    1 
HETATM 1270 C  C8    . PAM   L 4 .   ? -10.514 -36.814 -5.067  1.00 126.25 ? 211 PAM   A C8    1 
HETATM 1271 C  C9    . PAM   L 4 .   ? -10.713 -36.510 -3.596  1.00 124.47 ? 211 PAM   A C9    1 
HETATM 1272 C  C10   . PAM   L 4 .   ? -9.792  -36.289 -2.636  1.00 121.23 ? 211 PAM   A C10   1 
HETATM 1273 C  C11   . PAM   L 4 .   ? -8.281  -36.271 -2.708  1.00 117.71 ? 211 PAM   A C11   1 
HETATM 1274 C  C12   . PAM   L 4 .   ? -7.699  -36.083 -1.283  1.00 114.55 ? 211 PAM   A C12   1 
HETATM 1275 C  C13   . PAM   L 4 .   ? -6.250  -36.635 -1.177  1.00 112.43 ? 211 PAM   A C13   1 
HETATM 1276 C  C14   . PAM   L 4 .   ? -5.839  -36.849 0.306   1.00 111.98 ? 211 PAM   A C14   1 
HETATM 1277 C  C15   . PAM   L 4 .   ? -4.376  -37.354 0.441   1.00 110.11 ? 211 PAM   A C15   1 
HETATM 1278 C  C16   . PAM   L 4 .   ? -3.714  -36.822 1.738   1.00 108.70 ? 211 PAM   A C16   1 
HETATM 1279 C  C6    . PAM   M 4 .   ? -11.789 -40.442 -3.018  1.00 125.51 ? 212 PAM   A C6    1 
HETATM 1280 C  C7    . PAM   M 4 .   ? -10.303 -40.048 -2.789  1.00 122.70 ? 212 PAM   A C7    1 
HETATM 1281 C  C8    . PAM   M 4 .   ? -9.834  -40.394 -1.350  1.00 123.43 ? 212 PAM   A C8    1 
HETATM 1282 C  C9    . PAM   M 4 .   ? -8.377  -40.005 -1.189  1.00 121.57 ? 212 PAM   A C9    1 
HETATM 1283 C  C10   . PAM   M 4 .   ? -7.551  -40.177 -0.136  1.00 121.87 ? 212 PAM   A C10   1 
HETATM 1284 C  C11   . PAM   M 4 .   ? -7.831  -40.817 1.209   1.00 124.87 ? 212 PAM   A C11   1 
HETATM 1285 C  C12   . PAM   M 4 .   ? -6.577  -41.597 1.682   1.00 126.07 ? 212 PAM   A C12   1 
HETATM 1286 C  C13   . PAM   M 4 .   ? -6.117  -41.173 3.104   1.00 125.83 ? 212 PAM   A C13   1 
HETATM 1287 C  C14   . PAM   M 4 .   ? -4.642  -40.682 3.094   1.00 123.82 ? 212 PAM   A C14   1 
HETATM 1288 C  C15   . PAM   M 4 .   ? -3.807  -41.366 4.212   1.00 124.73 ? 212 PAM   A C15   1 
HETATM 1289 C  C7    . PAM   N 4 .   ? -13.160 -41.108 3.024   1.00 126.61 ? 213 PAM   A C7    1 
HETATM 1290 C  C8    . PAM   N 4 .   ? -11.734 -40.858 3.584   1.00 124.83 ? 213 PAM   A C8    1 
HETATM 1291 C  C9    . PAM   N 4 .   ? -11.591 -41.523 4.941   1.00 127.38 ? 213 PAM   A C9    1 
HETATM 1292 C  C10   . PAM   N 4 .   ? -10.708 -41.256 5.927   1.00 126.99 ? 213 PAM   A C10   1 
HETATM 1293 C  C11   . PAM   N 4 .   ? -9.610  -40.209 5.967   1.00 123.46 ? 213 PAM   A C11   1 
HETATM 1294 C  C12   . PAM   N 4 .   ? -8.259  -40.842 6.396   1.00 122.89 ? 213 PAM   A C12   1 
HETATM 1295 C  C1    . PLM   O 3 .   ? 35.321  -19.755 -4.829  1.00 116.52 ? 214 PLM   A C1    1 
HETATM 1296 O  O1    . PLM   O 3 .   ? 35.438  -18.715 -5.659  1.00 115.60 ? 214 PLM   A O1    1 
HETATM 1297 O  O2    . PLM   O 3 .   ? 35.675  -20.881 -5.142  1.00 116.99 ? 214 PLM   A O2    1 
HETATM 1298 C  C2    . PLM   O 3 .   ? 34.743  -19.430 -3.470  1.00 117.09 ? 214 PLM   A C2    1 
HETATM 1299 C  C3    . PLM   O 3 .   ? 33.458  -20.234 -3.128  1.00 114.82 ? 214 PLM   A C3    1 
HETATM 1300 C  C4    . PLM   O 3 .   ? 33.758  -21.456 -2.215  1.00 114.73 ? 214 PLM   A C4    1 
HETATM 1301 C  C5    . PLM   O 3 .   ? 32.752  -21.531 -1.032  1.00 113.72 ? 214 PLM   A C5    1 
HETATM 1302 C  C6    . PLM   O 3 .   ? 32.817  -22.902 -0.306  1.00 113.82 ? 214 PLM   A C6    1 
HETATM 1303 C  C7    . PLM   O 3 .   ? 31.537  -23.174 0.532   1.00 113.08 ? 214 PLM   A C7    1 
HETATM 1304 C  C2    . PLM   P 3 .   ? 36.237  -38.318 -5.941  1.00 83.67  ? 215 PLM   A C2    1 
HETATM 1305 C  C3    . PLM   P 3 .   ? 36.574  -37.274 -7.051  1.00 79.69  ? 215 PLM   A C3    1 
HETATM 1306 C  C4    . PLM   P 3 .   ? 37.951  -36.591 -6.835  1.00 78.70  ? 215 PLM   A C4    1 
HETATM 1307 C  C5    . PLM   P 3 .   ? 39.026  -37.151 -7.800  1.00 82.37  ? 215 PLM   A C5    1 
HETATM 1308 C  C6    . PLM   P 3 .   ? 40.274  -36.228 -7.916  1.00 82.50  ? 215 PLM   A C6    1 
HETATM 1309 C  C7    . PLM   P 3 .   ? 40.890  -36.212 -9.346  1.00 80.14  ? 215 PLM   A C7    1 
HETATM 1310 C  C8    . PLM   P 3 .   ? 41.877  -35.013 -9.484  1.00 79.71  ? 215 PLM   A C8    1 
HETATM 1311 C  C9    . PLM   P 3 .   ? 42.160  -34.557 -10.949 1.00 74.61  ? 215 PLM   A C9    1 
HETATM 1312 C  C9    . PLM   Q 3 .   ? -16.238 -41.153 6.075   1.00 119.46 ? 216 PLM   A C9    1 
HETATM 1313 C  CA    . PLM   Q 3 .   ? -14.819 -40.817 6.612   1.00 117.56 ? 216 PLM   A CA    1 
HETATM 1314 C  CB    . PLM   Q 3 .   ? -14.697 -41.132 8.130   1.00 119.82 ? 216 PLM   A CB    1 
HETATM 1315 C  CC    . PLM   Q 3 .   ? -13.213 -41.301 8.563   1.00 118.58 ? 216 PLM   A CC    1 
HETATM 1316 C  CD    . PLM   Q 3 .   ? -12.701 -40.085 9.384   1.00 116.35 ? 216 PLM   A CD    1 
HETATM 1317 C  CE    . PLM   Q 3 .   ? -11.331 -40.375 10.059  1.00 115.94 ? 216 PLM   A CE    1 
HETATM 1318 C  C1B   . LMT   R 5 .   ? 18.500  -30.570 3.148   1.00 133.50 ? 217 LMT   A C1B   1 
HETATM 1319 C  C2B   . LMT   R 5 .   ? 18.495  -29.023 3.305   1.00 132.43 ? 217 LMT   A C2B   1 
HETATM 1320 C  C3B   . LMT   R 5 .   ? 18.811  -28.354 1.946   1.00 131.17 ? 217 LMT   A C3B   1 
HETATM 1321 C  C4B   . LMT   R 5 .   ? 20.159  -28.939 1.429   1.00 134.19 ? 217 LMT   A C4B   1 
HETATM 1322 C  C5B   . LMT   R 5 .   ? 19.994  -30.469 1.243   1.00 134.51 ? 217 LMT   A C5B   1 
HETATM 1323 C  C6B   . LMT   R 5 .   ? 21.285  -31.130 0.690   1.00 134.99 ? 217 LMT   A C6B   1 
HETATM 1324 O  O1B   . LMT   R 5 .   ? 17.333  -30.932 2.394   1.00 129.30 ? 217 LMT   A O1B   1 
HETATM 1325 O  O2B   . LMT   R 5 .   ? 17.217  -28.546 3.762   1.00 131.19 ? 217 LMT   A O2B   1 
HETATM 1326 O  O3B   . LMT   R 5 .   ? 18.880  -26.925 2.106   1.00 129.11 ? 217 LMT   A O3B   1 
HETATM 1327 O  "O4'" . LMT   R 5 .   ? 20.595  -28.355 0.187   1.00 134.80 ? 217 LMT   A "O4'" 1 
HETATM 1328 O  O5B   . LMT   R 5 .   ? 19.714  -31.058 2.532   1.00 135.93 ? 217 LMT   A O5B   1 
HETATM 1329 O  O6B   . LMT   R 5 .   ? 21.244  -31.157 -0.748  1.00 132.86 ? 217 LMT   A O6B   1 
HETATM 1330 C  "C1'" . LMT   R 5 .   ? 14.466  -33.701 1.636   1.00 119.51 ? 217 LMT   A "C1'" 1 
HETATM 1331 C  "C2'" . LMT   R 5 .   ? 14.943  -33.821 3.106   1.00 125.52 ? 217 LMT   A "C2'" 1 
HETATM 1332 C  "C3'" . LMT   R 5 .   ? 15.809  -32.579 3.468   1.00 126.22 ? 217 LMT   A "C3'" 1 
HETATM 1333 C  "C4'" . LMT   R 5 .   ? 16.955  -32.327 2.436   1.00 126.33 ? 217 LMT   A "C4'" 1 
HETATM 1334 C  "C5'" . LMT   R 5 .   ? 16.486  -32.562 0.965   1.00 120.91 ? 217 LMT   A "C5'" 1 
HETATM 1335 C  "C6'" . LMT   R 5 .   ? 17.686  -32.675 -0.013  1.00 116.58 ? 217 LMT   A "C6'" 1 
HETATM 1336 O  "O1'" . LMT   R 5 .   ? 13.592  -34.804 1.325   1.00 115.42 ? 217 LMT   A "O1'" 1 
HETATM 1337 O  "O2'" . LMT   R 5 .   ? 13.831  -33.912 4.015   1.00 127.86 ? 217 LMT   A "O2'" 1 
HETATM 1338 O  "O3'" . LMT   R 5 .   ? 16.323  -32.732 4.805   1.00 127.32 ? 217 LMT   A "O3'" 1 
HETATM 1339 O  "O5'" . LMT   R 5 .   ? 15.638  -33.720 0.795   1.00 120.74 ? 217 LMT   A "O5'" 1 
HETATM 1340 O  "O6'" . LMT   R 5 .   ? 18.164  -34.030 -0.027  1.00 115.99 ? 217 LMT   A "O6'" 1 
HETATM 1341 C  C1    . LMT   R 5 .   ? 12.710  -34.515 0.221   1.00 109.80 ? 217 LMT   A C1    1 
HETATM 1342 C  C2    . LMT   R 5 .   ? 11.657  -35.642 0.046   1.00 107.43 ? 217 LMT   A C2    1 
HETATM 1343 C  C3    . LMT   R 5 .   ? 12.269  -37.022 -0.345  1.00 105.84 ? 217 LMT   A C3    1 
HETATM 1344 C  C4    . LMT   R 5 .   ? 11.804  -37.525 -1.745  1.00 101.76 ? 217 LMT   A C4    1 
HETATM 1345 C  C5    . LMT   R 5 .   ? 10.262  -37.712 -1.847  1.00 99.13  ? 217 LMT   A C5    1 
HETATM 1346 C  C6    . LMT   R 5 .   ? 9.750   -37.485 -3.296  1.00 96.32  ? 217 LMT   A C6    1 
HETATM 1347 C  C7    . LMT   R 5 .   ? 8.284   -36.972 -3.310  1.00 96.25  ? 217 LMT   A C7    1 
HETATM 1348 C  C8    . LMT   R 5 .   ? 7.391   -37.810 -4.269  1.00 99.19  ? 217 LMT   A C8    1 
HETATM 1349 C  C9    . LMT   R 5 .   ? 6.121   -37.029 -4.711  1.00 99.75  ? 217 LMT   A C9    1 
HETATM 1350 C  C10   . LMT   R 5 .   ? 5.418   -37.699 -5.925  1.00 101.92 ? 217 LMT   A C10   1 
HETATM 1351 C  C11   . LMT   R 5 .   ? 5.930   -37.133 -7.281  1.00 101.52 ? 217 LMT   A C11   1 
HETATM 1352 C  C12   . LMT   R 5 .   ? 4.799   -37.068 -8.343  1.00 101.80 ? 217 LMT   A C12   1 
HETATM 1353 C  C10   . PAM   S 4 .   ? 1.769   -28.139 -20.035 1.00 99.60  ? 218 PAM   A C10   1 
HETATM 1354 C  C11   . PAM   S 4 .   ? 2.899   -28.258 -19.032 1.00 98.10  ? 218 PAM   A C11   1 
HETATM 1355 C  C12   . PAM   S 4 .   ? 3.209   -29.747 -18.718 1.00 97.38  ? 218 PAM   A C12   1 
HETATM 1356 C  C13   . PAM   S 4 .   ? 4.602   -29.906 -18.049 1.00 94.29  ? 218 PAM   A C13   1 
HETATM 1357 C  C14   . PAM   S 4 .   ? 4.741   -31.281 -17.343 1.00 94.51  ? 218 PAM   A C14   1 
HETATM 1358 C  C15   . PAM   S 4 .   ? 5.965   -31.272 -16.386 1.00 93.62  ? 218 PAM   A C15   1 
HETATM 1359 C  C16   . PAM   S 4 .   ? 6.829   -32.559 -16.486 1.00 94.25  ? 218 PAM   A C16   1 
HETATM 1360 C  C1    . PAM   T 4 .   ? 38.078  -48.763 -22.378 1.00 102.85 ? 219 PAM   A C1    1 
HETATM 1361 O  O1    . PAM   T 4 .   ? 37.999  -49.356 -21.178 1.00 108.28 ? 219 PAM   A O1    1 
HETATM 1362 O  O2    . PAM   T 4 .   ? 38.982  -49.037 -23.180 1.00 105.05 ? 219 PAM   A O2    1 
HETATM 1363 C  C2    . PAM   T 4 .   ? 36.971  -47.760 -22.667 1.00 90.48  ? 219 PAM   A C2    1 
HETATM 1364 C  C3    . PAM   T 4 .   ? 35.713  -47.899 -21.758 1.00 86.61  ? 219 PAM   A C3    1 
HETATM 1365 C  C4    . PAM   T 4 .   ? 34.830  -46.603 -21.636 1.00 79.94  ? 219 PAM   A C4    1 
HETATM 1366 C  C5    . PAM   T 4 .   ? 35.142  -45.741 -20.378 1.00 73.38  ? 219 PAM   A C5    1 
HETATM 1367 C  C6    . PAM   T 4 .   ? 33.847  -45.529 -19.548 1.00 72.97  ? 219 PAM   A C6    1 
HETATM 1368 C  C7    . PAM   T 4 .   ? 32.906  -44.345 -19.955 1.00 68.48  ? 219 PAM   A C7    1 
HETATM 1369 C  C8    . PAM   T 4 .   ? 32.058  -43.923 -18.715 1.00 70.76  ? 219 PAM   A C8    1 
HETATM 1370 C  C9    . PAM   T 4 .   ? 31.412  -42.567 -18.876 1.00 72.98  ? 219 PAM   A C9    1 
HETATM 1371 C  C10   . PAM   T 4 .   ? 30.453  -41.942 -18.148 1.00 75.61  ? 219 PAM   A C10   1 
HETATM 1372 C  C11   . PAM   T 4 .   ? 29.677  -42.367 -16.912 1.00 77.99  ? 219 PAM   A C11   1 
HETATM 1373 C  C12   . PAM   T 4 .   ? 28.879  -41.151 -16.349 1.00 75.14  ? 219 PAM   A C12   1 
HETATM 1374 C  C13   . PAM   T 4 .   ? 28.693  -41.209 -14.805 1.00 77.85  ? 219 PAM   A C13   1 
HETATM 1375 C  C14   . PAM   T 4 .   ? 27.453  -42.038 -14.340 1.00 81.59  ? 219 PAM   A C14   1 
HETATM 1376 C  C15   . PAM   T 4 .   ? 27.048  -41.790 -12.847 1.00 80.77  ? 219 PAM   A C15   1 
HETATM 1377 C  C16   . PAM   T 4 .   ? 25.520  -41.946 -12.600 1.00 78.99  ? 219 PAM   A C16   1 
HETATM 1378 C  C1    . PLM   U 3 .   ? 44.155  -24.818 -11.570 1.00 76.37  ? 220 PLM   A C1    1 
HETATM 1379 C  C2    . PLM   U 3 .   ? 43.633  -23.434 -11.875 1.00 76.42  ? 220 PLM   A C2    1 
HETATM 1380 C  C3    . PLM   U 3 .   ? 42.093  -23.403 -12.062 1.00 74.97  ? 220 PLM   A C3    1 
HETATM 1381 C  C4    . PLM   U 3 .   ? 41.603  -22.040 -12.629 1.00 75.89  ? 220 PLM   A C4    1 
HETATM 1382 C  C5    . PLM   U 3 .   ? 40.057  -22.037 -12.808 1.00 75.39  ? 220 PLM   A C5    1 
HETATM 1383 C  C6    . PLM   U 3 .   ? 39.482  -20.616 -13.067 1.00 75.77  ? 220 PLM   A C6    1 
HETATM 1384 C  C7    . PLM   U 3 .   ? 38.008  -20.507 -12.587 1.00 75.20  ? 220 PLM   A C7    1 
HETATM 1385 C  C8    . PLM   U 3 .   ? 37.695  -19.089 -12.037 1.00 76.45  ? 220 PLM   A C8    1 
HETATM 1386 C  C1    . A1IHJ V 6 .   ? 24.456  -36.991 -15.121 1.00 58.02  ? 221 A1IHJ A C1    1 
HETATM 1387 C  C2    . A1IHJ V 6 .   ? 23.797  -36.140 -14.218 1.00 58.73  ? 221 A1IHJ A C2    1 
HETATM 1388 C  C3    . A1IHJ V 6 .   ? 22.741  -35.364 -14.713 1.00 56.85  ? 221 A1IHJ A C3    1 
HETATM 1389 C  C11   . A1IHJ V 6 .   ? 23.995  -38.892 -18.102 1.00 51.92  ? 221 A1IHJ A C11   1 
HETATM 1390 C  C12   . A1IHJ V 6 .   ? 23.792  -40.225 -17.340 1.00 53.33  ? 221 A1IHJ A C12   1 
HETATM 1391 C  C13   . A1IHJ V 6 .   ? 22.983  -41.214 -18.217 1.00 49.43  ? 221 A1IHJ A C13   1 
HETATM 1392 C  C14   . A1IHJ V 6 .   ? 25.132  -40.844 -16.844 1.00 54.03  ? 221 A1IHJ A C14   1 
HETATM 1393 C  C16   . A1IHJ V 6 .   ? 28.649  -36.980 -18.350 1.00 52.56  ? 221 A1IHJ A C16   1 
HETATM 1394 C  C17   . A1IHJ V 6 .   ? 27.971  -36.237 -17.348 1.00 53.35  ? 221 A1IHJ A C17   1 
HETATM 1395 C  C19   . A1IHJ V 6 .   ? 26.081  -37.651 -17.620 1.00 55.80  ? 221 A1IHJ A C19   1 
HETATM 1396 C  C20   . A1IHJ V 6 .   ? 26.772  -38.398 -18.593 1.00 52.81  ? 221 A1IHJ A C20   1 
HETATM 1397 C  C23   . A1IHJ V 6 .   ? 27.916  -34.652 -15.478 1.00 49.10  ? 221 A1IHJ A C23   1 
HETATM 1398 C  C24   . A1IHJ V 6 .   ? 32.034  -37.298 -20.363 1.00 52.28  ? 221 A1IHJ A C24   1 
HETATM 1399 C  C25   . A1IHJ V 6 .   ? 30.869  -37.318 -21.377 1.00 49.18  ? 221 A1IHJ A C25   1 
HETATM 1400 C  C26   . A1IHJ V 6 .   ? 30.608  -37.664 -19.895 1.00 52.01  ? 221 A1IHJ A C26   1 
HETATM 1401 C  C27   . A1IHJ V 6 .   ? 33.021  -38.443 -20.292 1.00 53.62  ? 221 A1IHJ A C27   1 
HETATM 1402 C  C28   . A1IHJ V 6 .   ? 29.986  -36.653 -18.966 1.00 52.99  ? 221 A1IHJ A C28   1 
HETATM 1403 C  C4    . A1IHJ V 6 .   ? 22.416  -35.388 -16.057 1.00 55.81  ? 221 A1IHJ A C4    1 
HETATM 1404 C  C5    . A1IHJ V 6 .   ? 23.081  -36.224 -16.965 1.00 54.77  ? 221 A1IHJ A C5    1 
HETATM 1405 C  C6    . A1IHJ V 6 .   ? 24.104  -37.053 -16.479 1.00 56.87  ? 221 A1IHJ A C6    1 
HETATM 1406 F  F7    . A1IHJ V 6 .   ? 21.976  -34.632 -13.937 1.00 56.42  ? 221 A1IHJ A F7    1 
HETATM 1407 CL CL8   . A1IHJ V 6 .   ? 21.104  -34.361 -16.527 1.00 56.16  ? 221 A1IHJ A CL8   1 
HETATM 1408 F  F9    . A1IHJ V 6 .   ? 25.438  -37.743 -14.691 1.00 59.63  ? 221 A1IHJ A F9    1 
HETATM 1409 N  N10   . A1IHJ V 6 .   ? 24.767  -37.880 -17.337 1.00 57.59  ? 221 A1IHJ A N10   1 
HETATM 1410 F  F15   . A1IHJ V 6 .   ? 23.077  -39.967 -16.220 1.00 58.09  ? 221 A1IHJ A F15   1 
HETATM 1411 N  N18   . A1IHJ V 6 .   ? 26.716  -36.614 -17.025 1.00 52.86  ? 221 A1IHJ A N18   1 
HETATM 1412 N  N21   . A1IHJ V 6 .   ? 28.013  -38.020 -18.943 1.00 51.51  ? 221 A1IHJ A N21   1 
HETATM 1413 O  O22   . A1IHJ V 6 .   ? 28.522  -35.129 -16.689 1.00 53.38  ? 221 A1IHJ A O22   1 
HETATM 1414 O  O29   . A1IHJ V 6 .   ? 30.511  -35.567 -18.844 1.00 51.84  ? 221 A1IHJ A O29   1 
HETATM 1415 O  O30   . A1IHJ V 6 .   ? 34.195  -38.217 -20.063 1.00 51.72  ? 221 A1IHJ A O30   1 
HETATM 1416 O  O31   . A1IHJ V 6 .   ? 32.537  -39.682 -20.455 1.00 56.46  ? 221 A1IHJ A O31   1 
HETATM 1417 O  O     . HOH   W 7 .   ? 30.091  -28.500 -17.300 1.00 51.85  ? 301 HOH   A O     1 
HETATM 1418 O  O     . HOH   W 7 .   ? -5.028  -24.511 -4.420  1.00 60.08  ? 302 HOH   A O     1 
HETATM 1419 O  O     . HOH   W 7 .   ? 30.035  -34.800 -5.707  1.00 65.29  ? 303 HOH   A O     1 
HETATM 1420 O  O     . HOH   W 7 .   ? 37.962  -51.089 -24.622 1.00 76.68  ? 304 HOH   A O     1 
HETATM 1421 O  O     . HOH   W 7 .   ? 34.124  -40.361 -7.541  1.00 62.88  ? 305 HOH   A O     1 
HETATM 1422 O  O     . HOH   W 7 .   ? -11.721 -32.460 -5.127  1.00 66.94  ? 306 HOH   A O     1 
HETATM 1423 O  O     . HOH   W 7 .   ? 47.975  -29.213 -37.680 1.00 69.43  ? 307 HOH   A O     1 
HETATM 1424 O  O     . HOH   W 7 .   ? 3.292   -24.071 -2.279  1.00 63.16  ? 308 HOH   A O     1 
HETATM 1425 O  O     . HOH   W 7 .   ? 55.532  -24.540 -30.503 1.00 79.34  ? 309 HOH   A O     1 
HETATM 1426 O  O     . HOH   W 7 .   ? 23.810  -28.499 -24.256 1.00 58.38  ? 310 HOH   A O     1 
HETATM 1427 O  O     . HOH   W 7 .   ? 38.800  -32.387 -37.252 1.00 76.37  ? 311 HOH   A O     1 
HETATM 1428 O  O     . HOH   W 7 .   ? -7.807  -23.909 -3.564  1.00 70.71  ? 312 HOH   A O     1 
HETATM 1429 O  O     . HOH   W 7 .   ? 49.494  -38.274 -26.891 1.00 72.71  ? 313 HOH   A O     1 
HETATM 1430 O  O     . HOH   W 7 .   ? 11.312  -22.115 -2.268  1.00 56.26  ? 314 HOH   A O     1 
HETATM 1431 O  O     . HOH   W 7 .   ? 43.037  -44.390 -10.837 1.00 71.99  ? 315 HOH   A O     1 
HETATM 1432 O  O     . HOH   W 7 .   ? 30.333  -29.133 -26.936 1.00 66.59  ? 316 HOH   A O     1 
HETATM 1433 O  O     . HOH   W 7 .   ? 39.462  -42.557 -11.477 1.00 64.45  ? 317 HOH   A O     1 
HETATM 1434 O  O     . HOH   W 7 .   ? 11.679  -22.766 2.750   1.00 73.83  ? 318 HOH   A O     1 
HETATM 1435 O  O     . HOH   W 7 .   ? 1.793   -24.989 -4.306  1.00 66.76  ? 319 HOH   A O     1 
HETATM 1436 O  O     . HOH   W 7 .   ? 23.585  -28.557 -1.123  1.00 71.20  ? 320 HOH   A O     1 
HETATM 1437 O  O     . HOH   W 7 .   ? 34.545  -33.719 -32.390 1.00 65.63  ? 321 HOH   A O     1 
HETATM 1438 O  O     . HOH   W 7 .   ? 15.678  -17.584 -4.754  1.00 68.82  ? 322 HOH   A O     1 
HETATM 1439 O  O     . HOH   W 7 .   ? 13.066  -15.606 -7.059  1.00 77.93  ? 323 HOH   A O     1 
HETATM 1440 O  O     . HOH   W 7 .   ? 39.002  -46.143 -18.264 1.00 71.75  ? 324 HOH   A O     1 
HETATM 1441 O  O     . HOH   W 7 .   ? 33.139  -14.650 -9.840  1.00 76.12  ? 325 HOH   A O     1 
HETATM 1442 O  O     . HOH   W 7 .   ? -3.099  -22.808 -3.091  1.00 78.88  ? 326 HOH   A O     1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N     . GLY A 8   ? 1.2051 0.9738 1.0865 0.0020  0.1745  -0.1369 1   GLY A N     
2    C CA    . GLY A 8   ? 1.1747 0.9516 1.0606 0.0176  0.1695  -0.1147 1   GLY A CA    
3    C C     . GLY A 8   ? 1.1821 0.9761 1.0777 0.0119  0.1590  -0.1095 1   GLY A C     
4    O O     . GLY A 8   ? 1.1557 0.9743 1.0495 0.0159  0.1434  -0.1020 1   GLY A O     
5    N N     . LYS A 9   ? 1.1186 0.8981 1.0257 0.0026  0.1691  -0.1134 2   LYS A N     
6    C CA    . LYS A 9   ? 1.0767 0.8716 0.9952 -0.0039 0.1622  -0.1098 2   LYS A CA    
7    C C     . LYS A 9   ? 1.1262 0.9516 1.0429 -0.0166 0.1445  -0.1214 2   LYS A C     
8    O O     . LYS A 9   ? 1.1028 0.9516 1.0217 -0.0122 0.1310  -0.1127 2   LYS A O     
9    C CB    . LYS A 9   ? 1.0929 0.8653 1.0248 -0.0153 0.1792  -0.1150 2   LYS A CB    
10   C CG    . LYS A 9   ? 0.9348 0.6798 0.8716 -0.0016 0.1977  -0.0984 2   LYS A CG    
11   C CD    . LYS A 9   ? 0.9504 0.6734 0.9020 -0.0157 0.2148  -0.1038 2   LYS A CD    
12   C CE    . LYS A 9   ? 1.2521 0.9403 1.2075 -0.0020 0.2380  -0.0876 2   LYS A CE    
13   N NZ    . LYS A 9   ? 1.4588 1.1232 1.4309 -0.0169 0.2568  -0.0909 2   LYS A NZ    
14   N N     . ASP A 10  ? 1.1006 0.9273 1.0131 -0.0314 0.1450  -0.1411 3   ASP A N     
15   C CA    . ASP A 10  ? 1.0946 0.9550 1.0052 -0.0428 0.1287  -0.1516 3   ASP A CA    
16   C C     . ASP A 10  ? 1.1335 1.0161 1.0307 -0.0319 0.1130  -0.1430 3   ASP A C     
17   O O     . ASP A 10  ? 1.1351 1.0481 1.0310 -0.0361 0.0987  -0.1450 3   ASP A O     
18   C CB    . ASP A 10  ? 1.1486 1.0091 1.0592 -0.0632 0.1340  -0.1769 3   ASP A CB    
19   C CG    . ASP A 10  ? 1.2268 1.0767 1.1560 -0.0788 0.1454  -0.1857 3   ASP A CG    
20   O OD1   . ASP A 10  ? 1.2837 1.0959 1.2187 -0.0780 0.1650  -0.1845 3   ASP A OD1   
21   O OD2   . ASP A 10  ? 1.1877 1.0682 1.1268 -0.0909 0.1354  -0.1919 3   ASP A OD2   
22   N N     . GLU A 11  ? 1.0705 0.9397 0.9602 -0.0165 0.1160  -0.1306 4   GLU A N     
23   C CA    . GLU A 11  ? 1.0413 0.9273 0.9218 -0.0062 0.1038  -0.1200 4   GLU A CA    
24   C C     . GLU A 11  ? 1.0043 0.9055 0.8936 -0.0003 0.0934  -0.1070 4   GLU A C     
25   O O     . GLU A 11  ? 1.0097 0.9267 0.8947 0.0054  0.0824  -0.0994 4   GLU A O     
26   C CB    . GLU A 11  ? 1.0701 0.9393 0.9452 0.0075  0.1114  -0.1104 4   GLU A CB    
27   C CG    . GLU A 11  ? 1.3878 1.2420 1.2529 0.0068  0.1222  -0.1203 4   GLU A CG    
28   C CD    . GLU A 11  ? 1.9055 1.7467 1.7684 0.0219  0.1307  -0.1095 4   GLU A CD    
29   O OE1   . GLU A 11  ? 1.9512 1.8013 1.8178 0.0320  0.1249  -0.0952 4   GLU A OE1   
30   O OE2   . GLU A 11  ? 1.9205 1.7443 1.7786 0.0237  0.1436  -0.1165 4   GLU A OE2   
31   N N     . VAL A 12  ? 0.8641 0.7578 0.7659 -0.0002 0.0990  -0.1034 5   VAL A N     
32   C CA    . VAL A 12  ? 0.7956 0.7023 0.7065 0.0058  0.0918  -0.0928 5   VAL A CA    
33   C C     . VAL A 12  ? 0.7564 0.6746 0.6804 -0.0049 0.0914  -0.0986 5   VAL A C     
34   O O     . VAL A 12  ? 0.7450 0.6735 0.6777 0.0002  0.0875  -0.0906 5   VAL A O     
35   C CB    . VAL A 12  ? 0.8323 0.7266 0.7450 0.0196  0.0978  -0.0800 5   VAL A CB    
36   C CG1   . VAL A 12  ? 0.8227 0.7143 0.7254 0.0290  0.0959  -0.0749 5   VAL A CG1   
37   C CG2   . VAL A 12  ? 0.8404 0.7139 0.7588 0.0196  0.1137  -0.0789 5   VAL A CG2   
38   N N     . ALA A 13  ? 0.6656 0.5843 0.5918 -0.0203 0.0956  -0.1136 6   ALA A N     
39   C CA    . ALA A 13  ? 0.6520 0.5830 0.5931 -0.0332 0.0970  -0.1209 6   ALA A CA    
40   C C     . ALA A 13  ? 0.6905 0.6585 0.6379 -0.0331 0.0815  -0.1183 6   ALA A C     
41   O O     . ALA A 13  ? 0.6772 0.6569 0.6395 -0.0371 0.0825  -0.1171 6   ALA A O     
42   C CB    . ALA A 13  ? 0.6769 0.6010 0.6194 -0.0517 0.1054  -0.1407 6   ALA A CB    
43   N N     . LEU A 14  ? 0.6437 0.6292 0.5805 -0.0268 0.0687  -0.1153 7   LEU A N     
44   C CA    . LEU A 14  ? 0.6576 0.6762 0.5983 -0.0223 0.0547  -0.1096 7   LEU A CA    
45   C C     . LEU A 14  ? 0.6850 0.6995 0.6316 -0.0072 0.0531  -0.0941 7   LEU A C     
46   O O     . LEU A 14  ? 0.6961 0.7319 0.6542 -0.0049 0.0479  -0.0904 7   LEU A O     
47   C CB    . LEU A 14  ? 0.6845 0.7155 0.6098 -0.0178 0.0452  -0.1079 7   LEU A CB    
48   C CG    . LEU A 14  ? 0.7822 0.8531 0.7075 -0.0219 0.0333  -0.1116 7   LEU A CG    
49   C CD1   . LEU A 14  ? 0.8183 0.9048 0.7490 -0.0418 0.0358  -0.1322 7   LEU A CD1   
50   C CD2   . LEU A 14  ? 0.8020 0.8800 0.7094 -0.0151 0.0268  -0.1064 7   LEU A CD2   
51   N N     . LEU A 15  ? 0.6198 0.6094 0.5591 0.0030  0.0578  -0.0862 8   LEU A N     
52   C CA    . LEU A 15  ? 0.5848 0.5689 0.5283 0.0159  0.0579  -0.0750 8   LEU A CA    
53   C C     . LEU A 15  ? 0.5972 0.5801 0.5534 0.0137  0.0659  -0.0748 8   LEU A C     
54   O O     . LEU A 15  ? 0.5988 0.5934 0.5633 0.0207  0.0630  -0.0691 8   LEU A O     
55   C CB    . LEU A 15  ? 0.5842 0.5464 0.5177 0.0243  0.0619  -0.0698 8   LEU A CB    
56   C CG    . LEU A 15  ? 0.6363 0.5967 0.5575 0.0264  0.0569  -0.0686 8   LEU A CG    
57   C CD1   . LEU A 15  ? 0.6154 0.5574 0.5302 0.0332  0.0626  -0.0646 8   LEU A CD1   
58   C CD2   . LEU A 15  ? 0.6295 0.6061 0.5516 0.0322  0.0463  -0.0621 8   LEU A CD2   
59   N N     . ALA A 16  ? 0.5426 0.5103 0.5007 0.0042  0.0774  -0.0807 9   ALA A N     
60   C CA    . ALA A 16  ? 0.5192 0.4832 0.4896 0.0007  0.0880  -0.0792 9   ALA A CA    
61   C C     . ALA A 16  ? 0.5772 0.5682 0.5623 -0.0089 0.0838  -0.0843 9   ALA A C     
62   O O     . ALA A 16  ? 0.5849 0.5836 0.5814 -0.0066 0.0879  -0.0789 9   ALA A O     
63   C CB    . ALA A 16  ? 0.5310 0.4688 0.5002 -0.0074 0.1030  -0.0838 9   ALA A CB    
64   N N     . ALA A 17  ? 0.5635 0.5733 0.5485 -0.0192 0.0755  -0.0946 10  ALA A N     
65   C CA    . ALA A 17  ? 0.5596 0.6038 0.5589 -0.0289 0.0693  -0.1010 10  ALA A CA    
66   C C     . ALA A 17  ? 0.5809 0.6493 0.5847 -0.0141 0.0585  -0.0900 10  ALA A C     
67   O O     . ALA A 17  ? 0.5720 0.6611 0.5914 -0.0151 0.0591  -0.0885 10  ALA A O     
68   C CB    . ALA A 17  ? 0.5819 0.6430 0.5762 -0.0417 0.0624  -0.1150 10  ALA A CB    
69   N N     . VAL A 18  ? 0.5368 0.6010 0.5280 -0.0001 0.0503  -0.0823 11  VAL A N     
70   C CA    . VAL A 18  ? 0.5295 0.6082 0.5239 0.0157  0.0423  -0.0717 11  VAL A CA    
71   C C     . VAL A 18  ? 0.5768 0.6440 0.5776 0.0247  0.0498  -0.0652 11  VAL A C     
72   O O     . VAL A 18  ? 0.5625 0.6496 0.5749 0.0316  0.0476  -0.0612 11  VAL A O     
73   C CB    . VAL A 18  ? 0.5762 0.6484 0.5564 0.0264  0.0345  -0.0652 11  VAL A CB    
74   C CG1   . VAL A 18  ? 0.5570 0.6339 0.5412 0.0436  0.0300  -0.0541 11  VAL A CG1   
75   C CG2   . VAL A 18  ? 0.5820 0.6755 0.5563 0.0193  0.0265  -0.0699 11  VAL A CG2   
76   N N     . THR A 19  ? 0.5439 0.5828 0.5374 0.0251  0.0592  -0.0644 12  THR A N     
77   C CA    . THR A 19  ? 0.5354 0.5656 0.5318 0.0333  0.0673  -0.0585 12  THR A CA    
78   C C     . THR A 19  ? 0.5866 0.6343 0.5994 0.0268  0.0735  -0.0591 12  THR A C     
79   O O     . THR A 19  ? 0.5766 0.6371 0.5967 0.0360  0.0741  -0.0543 12  THR A O     
80   C CB    . THR A 19  ? 0.5913 0.5938 0.5771 0.0336  0.0767  -0.0569 12  THR A CB    
81   O OG1   . THR A 19  ? 0.5438 0.5350 0.5168 0.0404  0.0709  -0.0559 12  THR A OG1   
82   C CG2   . THR A 19  ? 0.5402 0.5389 0.5280 0.0419  0.0860  -0.0499 12  THR A CG2   
83   N N     . LEU A 20  ? 0.5287 0.5768 0.5479 0.0102  0.0791  -0.0662 13  LEU A N     
84   C CA    . LEU A 20  ? 0.5283 0.5914 0.5649 -0.0002 0.0870  -0.0680 13  LEU A CA    
85   C C     . LEU A 20  ? 0.6008 0.7027 0.6516 0.0011  0.0776  -0.0689 13  LEU A C     
86   O O     . LEU A 20  ? 0.6094 0.7277 0.6739 0.0028  0.0828  -0.0650 13  LEU A O     
87   C CB    . LEU A 20  ? 0.5433 0.5943 0.5841 -0.0206 0.0962  -0.0781 13  LEU A CB    
88   C CG    . LEU A 20  ? 0.6198 0.6794 0.6805 -0.0339 0.1090  -0.0794 13  LEU A CG    
89   C CD1   . LEU A 20  ? 0.6307 0.6732 0.6913 -0.0235 0.1228  -0.0655 13  LEU A CD1   
90   C CD2   . LEU A 20  ? 0.6474 0.6969 0.7146 -0.0563 0.1172  -0.0930 13  LEU A CD2   
91   N N     . LEU A 21  ? 0.5625 0.6807 0.6096 0.0024  0.0645  -0.0723 14  LEU A N     
92   C CA    . LEU A 21  ? 0.5692 0.7261 0.6281 0.0075  0.0545  -0.0709 14  LEU A CA    
93   C C     . LEU A 21  ? 0.5743 0.7329 0.6344 0.0283  0.0534  -0.0603 14  LEU A C     
94   O O     . LEU A 21  ? 0.5811 0.7688 0.6564 0.0330  0.0524  -0.0577 14  LEU A O     
95   C CB    . LEU A 21  ? 0.5939 0.7644 0.6443 0.0067  0.0417  -0.0743 14  LEU A CB    
96   C CG    . LEU A 21  ? 0.6799 0.8967 0.7420 0.0119  0.0304  -0.0720 14  LEU A CG    
97   C CD1   . LEU A 21  ? 0.6973 0.9502 0.7804 -0.0051 0.0324  -0.0814 14  LEU A CD1   
98   C CD2   . LEU A 21  ? 0.7132 0.9410 0.7630 0.0138  0.0191  -0.0723 14  LEU A CD2   
99   N N     . GLY A 22  ? 0.5085 0.6368 0.5535 0.0399  0.0548  -0.0555 15  GLY A N     
100  C CA    . GLY A 22  ? 0.4724 0.5966 0.5165 0.0578  0.0556  -0.0492 15  GLY A CA    
101  C C     . GLY A 22  ? 0.5132 0.6412 0.5655 0.0584  0.0665  -0.0475 15  GLY A C     
102  O O     . GLY A 22  ? 0.5386 0.6818 0.5987 0.0701  0.0673  -0.0446 15  GLY A O     
103  N N     . VAL A 23  ? 0.4538 0.5677 0.5043 0.0470  0.0763  -0.0486 16  VAL A N     
104  C CA    . VAL A 23  ? 0.4492 0.5668 0.5070 0.0467  0.0888  -0.0445 16  VAL A CA    
105  C C     . VAL A 23  ? 0.5159 0.6689 0.5954 0.0405  0.0896  -0.0456 16  VAL A C     
106  O O     . VAL A 23  ? 0.5393 0.7087 0.6270 0.0492  0.0945  -0.0413 16  VAL A O     
107  C CB    . VAL A 23  ? 0.4844 0.5764 0.5362 0.0360  0.1006  -0.0432 16  VAL A CB    
108  C CG1   . VAL A 23  ? 0.4628 0.5608 0.5249 0.0332  0.1155  -0.0367 16  VAL A CG1   
109  C CG2   . VAL A 23  ? 0.4707 0.5348 0.5025 0.0454  0.1000  -0.0407 16  VAL A CG2   
110  N N     . LEU A 24  ? 0.4743 0.6423 0.5631 0.0257  0.0845  -0.0523 17  LEU A N     
111  C CA    . LEU A 24  ? 0.4746 0.6823 0.5856 0.0170  0.0835  -0.0554 17  LEU A CA    
112  C C     . LEU A 24  ? 0.5226 0.7597 0.6405 0.0348  0.0745  -0.0510 17  LEU A C     
113  O O     . LEU A 24  ? 0.5058 0.7730 0.6415 0.0360  0.0785  -0.0490 17  LEU A O     
114  C CB    . LEU A 24  ? 0.4826 0.7020 0.5992 -0.0034 0.0783  -0.0664 17  LEU A CB    
115  C CG    . LEU A 24  ? 0.5585 0.7549 0.6771 -0.0250 0.0913  -0.0731 17  LEU A CG    
116  C CD1   . LEU A 24  ? 0.5681 0.7780 0.6909 -0.0447 0.0850  -0.0877 17  LEU A CD1   
117  C CD2   . LEU A 24  ? 0.5852 0.7922 0.7234 -0.0341 0.1064  -0.0701 17  LEU A CD2   
118  N N     . LEU A 25  ? 0.4778 0.7047 0.5826 0.0492  0.0641  -0.0488 18  LEU A N     
119  C CA    . LEU A 25  ? 0.4738 0.7194 0.5835 0.0692  0.0577  -0.0433 18  LEU A CA    
120  C C     . LEU A 25  ? 0.5050 0.7455 0.6159 0.0833  0.0667  -0.0395 18  LEU A C     
121  O O     . LEU A 25  ? 0.5191 0.7884 0.6447 0.0935  0.0675  -0.0367 18  LEU A O     
122  C CB    . LEU A 25  ? 0.4799 0.7066 0.5741 0.0802  0.0481  -0.0406 18  LEU A CB    
123  C CG    . LEU A 25  ? 0.5287 0.7716 0.6289 0.1014  0.0424  -0.0335 18  LEU A CG    
124  C CD1   . LEU A 25  ? 0.5198 0.8131 0.6391 0.1009  0.0359  -0.0312 18  LEU A CD1   
125  C CD2   . LEU A 25  ? 0.5114 0.7258 0.5954 0.1116  0.0369  -0.0295 18  LEU A CD2   
126  N N     . GLN A 26  ? 0.4368 0.6445 0.5325 0.0842  0.0736  -0.0398 19  GLN A N     
127  C CA    . GLN A 26  ? 0.4225 0.6255 0.5153 0.0956  0.0828  -0.0379 19  GLN A CA    
128  C C     . GLN A 26  ? 0.4991 0.7295 0.6087 0.0896  0.0927  -0.0354 19  GLN A C     
129  O O     . GLN A 26  ? 0.5241 0.7732 0.6411 0.1025  0.0967  -0.0338 19  GLN A O     
130  C CB    . GLN A 26  ? 0.4373 0.6066 0.5105 0.0950  0.0874  -0.0384 19  GLN A CB    
131  C CG    . GLN A 26  ? 0.5765 0.7195 0.6340 0.1012  0.0792  -0.0413 19  GLN A CG    
132  C CD    . GLN A 26  ? 0.7858 0.9292 0.8433 0.1184  0.0752  -0.0431 19  GLN A CD    
133  O OE1   . GLN A 26  ? 0.7954 0.9379 0.8551 0.1228  0.0674  -0.0421 19  GLN A OE1   
134  N NE2   . GLN A 26  ? 0.7587 0.9015 0.8127 0.1289  0.0815  -0.0459 19  GLN A NE2   
135  N N     . ALA A 27  ? 0.4628 0.6973 0.5805 0.0695  0.0973  -0.0360 20  ALA A N     
136  C CA    . ALA A 27  ? 0.4533 0.7145 0.5904 0.0602  0.1083  -0.0334 20  ALA A CA    
137  C C     . ALA A 27  ? 0.5060 0.8109 0.6639 0.0651  0.1025  -0.0342 20  ALA A C     
138  O O     . ALA A 27  ? 0.5123 0.8415 0.6829 0.0703  0.1107  -0.0306 20  ALA A O     
139  C CB    . ALA A 27  ? 0.4617 0.7148 0.6050 0.0359  0.1148  -0.0360 20  ALA A CB    
140  N N     . TYR A 28  ? 0.4591 0.7757 0.6192 0.0662  0.0886  -0.0376 21  TYR A N     
141  C CA    . TYR A 28  ? 0.4497 0.8112 0.6290 0.0740  0.0816  -0.0366 21  TYR A CA    
142  C C     . TYR A 28  ? 0.5009 0.8668 0.6797 0.1002  0.0834  -0.0315 21  TYR A C     
143  O O     . TYR A 28  ? 0.5046 0.9077 0.7024 0.1067  0.0871  -0.0290 21  TYR A O     
144  C CB    . TYR A 28  ? 0.4615 0.8344 0.6398 0.0717  0.0666  -0.0391 21  TYR A CB    
145  C CG    . TYR A 28  ? 0.4995 0.9194 0.6954 0.0857  0.0588  -0.0347 21  TYR A CG    
146  C CD1   . TYR A 28  ? 0.5279 0.9994 0.7498 0.0757  0.0600  -0.0366 21  TYR A CD1   
147  C CD2   . TYR A 28  ? 0.5113 0.9247 0.6994 0.1099  0.0519  -0.0279 21  TYR A CD2   
148  C CE1   . TYR A 28  ? 0.5369 1.0565 0.7761 0.0911  0.0531  -0.0313 21  TYR A CE1   
149  C CE2   . TYR A 28  ? 0.5258 0.9817 0.7304 0.1264  0.0464  -0.0214 21  TYR A CE2   
150  C CZ    . TYR A 28  ? 0.6288 1.1400 0.8589 0.1178  0.0465  -0.0227 21  TYR A CZ    
151  O OH    . TYR A 28  ? 0.6580 1.2158 0.9051 0.1360  0.0407  -0.0151 21  TYR A OH    
152  N N     . PHE A 29  ? 0.4439 0.7727 0.6021 0.1145  0.0816  -0.0313 22  PHE A N     
153  C CA    . PHE A 29  ? 0.4236 0.7476 0.5785 0.1382  0.0844  -0.0300 22  PHE A CA    
154  C C     . PHE A 29  ? 0.5131 0.8477 0.6722 0.1410  0.0977  -0.0299 22  PHE A C     
155  O O     . PHE A 29  ? 0.5353 0.8936 0.7057 0.1564  0.1017  -0.0288 22  PHE A O     
156  C CB    . PHE A 29  ? 0.4283 0.7073 0.5601 0.1457  0.0812  -0.0328 22  PHE A CB    
157  C CG    . PHE A 29  ? 0.4228 0.6908 0.5497 0.1476  0.0696  -0.0307 22  PHE A CG    
158  C CD1   . PHE A 29  ? 0.4270 0.7283 0.5690 0.1508  0.0621  -0.0255 22  PHE A CD1   
159  C CD2   . PHE A 29  ? 0.4420 0.6705 0.5494 0.1462  0.0665  -0.0331 22  PHE A CD2   
160  C CE1   . PHE A 29  ? 0.4366 0.7305 0.5725 0.1542  0.0521  -0.0214 22  PHE A CE1   
161  C CE2   . PHE A 29  ? 0.4777 0.6971 0.5803 0.1484  0.0573  -0.0295 22  PHE A CE2   
162  C CZ    . PHE A 29  ? 0.4453 0.6967 0.5614 0.1536  0.0504  -0.0229 22  PHE A CZ    
163  N N     . SER A 30  ? 0.4827 0.8016 0.6333 0.1268  0.1053  -0.0300 23  SER A N     
164  C CA    . SER A 30  ? 0.4800 0.8079 0.6320 0.1266  0.1194  -0.0272 23  SER A CA    
165  C C     . SER A 30  ? 0.5592 0.9330 0.7381 0.1213  0.1256  -0.0235 23  SER A C     
166  O O     . SER A 30  ? 0.5974 0.9912 0.7820 0.1325  0.1350  -0.0213 23  SER A O     
167  C CB    . SER A 30  ? 0.4908 0.7917 0.6295 0.1116  0.1258  -0.0248 23  SER A CB    
168  O OG    . SER A 30  ? 0.6115 0.9264 0.7561 0.1075  0.1407  -0.0184 23  SER A OG    
169  N N     . LEU A 31  ? 0.4968 0.8899 0.6923 0.1041  0.1203  -0.0240 24  LEU A N     
170  C CA    . LEU A 31  ? 0.4915 0.9325 0.7155 0.0951  0.1243  -0.0224 24  LEU A CA    
171  C C     . LEU A 31  ? 0.5548 1.0307 0.7918 0.1175  0.1201  -0.0211 24  LEU A C     
172  O O     . LEU A 31  ? 0.5547 1.0668 0.8100 0.1209  0.1290  -0.0181 24  LEU A O     
173  C CB    . LEU A 31  ? 0.4847 0.9365 0.7201 0.0717  0.1163  -0.0273 24  LEU A CB    
174  C CG    . LEU A 31  ? 0.5231 1.0303 0.7903 0.0585  0.1170  -0.0289 24  LEU A CG    
175  C CD1   . LEU A 31  ? 0.5137 1.0263 0.7944 0.0380  0.1340  -0.0273 24  LEU A CD1   
176  C CD2   . LEU A 31  ? 0.5344 1.0558 0.8076 0.0435  0.1033  -0.0364 24  LEU A CD2   
177  N N     . GLN A 32  ? 0.5219 0.9846 0.7492 0.1339  0.1083  -0.0223 25  GLN A N     
178  C CA    . GLN A 32  ? 0.5141 1.0007 0.7513 0.1589  0.1049  -0.0197 25  GLN A CA    
179  C C     . GLN A 32  ? 0.5531 1.0333 0.7848 0.1789  0.1163  -0.0204 25  GLN A C     
180  O O     . GLN A 32  ? 0.5779 1.0937 0.8271 0.1938  0.1206  -0.0179 25  GLN A O     
181  C CB    . GLN A 32  ? 0.5299 0.9959 0.7563 0.1706  0.0917  -0.0189 25  GLN A CB    
182  C CG    . GLN A 32  ? 0.6005 1.0824 0.8326 0.1541  0.0795  -0.0185 25  GLN A CG    
183  C CD    . GLN A 32  ? 0.7794 1.3225 1.0403 0.1458  0.0782  -0.0171 25  GLN A CD    
184  O OE1   . GLN A 32  ? 0.7783 1.3590 1.0551 0.1639  0.0748  -0.0114 25  GLN A OE1   
185  N NE2   . GLN A 32  ? 0.6614 1.2164 0.9309 0.1183  0.0819  -0.0222 25  GLN A NE2   
186  N N     . VAL A 33  ? 0.4957 0.9343 0.7034 0.1798  0.1213  -0.0244 26  VAL A N     
187  C CA    . VAL A 33  ? 0.4984 0.9314 0.6972 0.1964  0.1323  -0.0279 26  VAL A CA    
188  C C     . VAL A 33  ? 0.6043 1.0724 0.8164 0.1900  0.1459  -0.0235 26  VAL A C     
189  O O     . VAL A 33  ? 0.6259 1.1170 0.8451 0.2067  0.1543  -0.0244 26  VAL A O     
190  C CB    . VAL A 33  ? 0.5189 0.9046 0.6887 0.1975  0.1325  -0.0343 26  VAL A CB    
191  C CG1   . VAL A 33  ? 0.5247 0.9110 0.6847 0.2140  0.1436  -0.0405 26  VAL A CG1   
192  C CG2   . VAL A 33  ? 0.5001 0.8535 0.6599 0.2036  0.1208  -0.0380 26  VAL A CG2   
193  N N     . ILE A 34  ? 0.5652 1.0375 0.7822 0.1658  0.1493  -0.0187 27  ILE A N     
194  C CA    . ILE A 34  ? 0.5593 1.0637 0.7919 0.1560  0.1636  -0.0125 27  ILE A CA    
195  C C     . ILE A 34  ? 0.6379 1.1955 0.9006 0.1622  0.1640  -0.0107 27  ILE A C     
196  O O     . ILE A 34  ? 0.6646 1.2522 0.9377 0.1698  0.1766  -0.0075 27  ILE A O     
197  C CB    . ILE A 34  ? 0.5833 1.0764 0.8184 0.1272  0.1674  -0.0081 27  ILE A CB    
198  C CG1   . ILE A 34  ? 0.5744 1.0225 0.7812 0.1253  0.1719  -0.0065 27  ILE A CG1   
199  C CG2   . ILE A 34  ? 0.5807 1.1127 0.8415 0.1124  0.1816  -0.0014 27  ILE A CG2   
200  C CD1   . ILE A 34  ? 0.6160 1.0373 0.8200 0.1012  0.1708  -0.0049 27  ILE A CD1   
201  N N     . SER A 35  ? 0.5886 1.1609 0.8647 0.1602  0.1505  -0.0121 28  SER A N     
202  C CA    . SER A 35  ? 0.5798 1.2074 0.8854 0.1676  0.1485  -0.0097 28  SER A CA    
203  C C     . SER A 35  ? 0.6470 1.2838 0.9523 0.2001  0.1518  -0.0099 28  SER A C     
204  O O     . SER A 35  ? 0.6535 1.3357 0.9801 0.2084  0.1602  -0.0068 28  SER A O     
205  C CB    . SER A 35  ? 0.5994 1.2418 0.9158 0.1592  0.1322  -0.0106 28  SER A CB    
206  O OG    . SER A 35  ? 0.7141 1.3572 1.0363 0.1274  0.1316  -0.0129 28  SER A OG    
207  N N     . ALA A 36  ? 0.6111 1.2048 0.8935 0.2178  0.1466  -0.0143 29  ALA A N     
208  C CA    . ALA A 36  ? 0.6337 1.2249 0.9134 0.2484  0.1512  -0.0173 29  ALA A CA    
209  C C     . ALA A 36  ? 0.7629 1.3616 1.0375 0.2543  0.1675  -0.0204 29  ALA A C     
210  O O     . ALA A 36  ? 0.7727 1.3991 1.0591 0.2750  0.1759  -0.0210 29  ALA A O     
211  C CB    . ALA A 36  ? 0.6451 1.1819 0.9004 0.2592  0.1443  -0.0233 29  ALA A CB    
212  N N     . ARG A 37  ? 0.7416 1.3190 0.9991 0.2367  0.1729  -0.0210 30  ARG A N     
213  C CA    . ARG A 37  ? 0.7518 1.3375 1.0011 0.2400  0.1885  -0.0215 30  ARG A CA    
214  C C     . ARG A 37  ? 0.8500 1.4918 1.1266 0.2389  0.2000  -0.0142 30  ARG A C     
215  O O     . ARG A 37  ? 0.8738 1.5330 1.1484 0.2548  0.2125  -0.0162 30  ARG A O     
216  C CB    . ARG A 37  ? 0.7021 1.2568 0.9294 0.2219  0.1914  -0.0197 30  ARG A CB    
217  C CG    . ARG A 37  ? 0.6741 1.1827 0.8715 0.2318  0.1861  -0.0298 30  ARG A CG    
218  C CD    . ARG A 37  ? 0.6426 1.1303 0.8166 0.2220  0.1921  -0.0278 30  ARG A CD    
219  N NE    . ARG A 37  ? 0.7474 1.1981 0.8954 0.2321  0.1862  -0.0399 30  ARG A NE    
220  C CZ    . ARG A 37  ? 0.9594 1.4098 1.0901 0.2473  0.1932  -0.0496 30  ARG A CZ    
221  N NH1   . ARG A 37  ? 0.9628 1.3806 1.0726 0.2532  0.1870  -0.0627 30  ARG A NH1   
222  N NH2   . ARG A 37  ? 0.7500 1.2349 0.8842 0.2556  0.2070  -0.0471 30  ARG A NH2   
223  N N     . ARG A 38  ? 0.8241 1.4971 1.1268 0.2206  0.1959  -0.0072 31  ARG A N     
224  C CA    . ARG A 38  ? 0.8349 1.5671 1.1686 0.2173  0.2059  -0.0007 31  ARG A CA    
225  C C     . ARG A 38  ? 0.9009 1.6670 1.2526 0.2435  0.2026  -0.0024 31  ARG A C     
226  O O     . ARG A 38  ? 0.9188 1.7150 1.2790 0.2605  0.2151  -0.0019 31  ARG A O     
227  C CB    . ARG A 38  ? 0.8506 1.6054 1.2072 0.1859  0.2030  0.0044  31  ARG A CB    
228  C CG    . ARG A 38  ? 1.0148 1.7401 1.3589 0.1605  0.2116  0.0083  31  ARG A CG    
229  C CD    . ARG A 38  ? 1.2115 1.9655 1.5839 0.1291  0.2147  0.0119  31  ARG A CD    
230  N NE    . ARG A 38  ? 1.4291 2.1487 1.7900 0.1064  0.2252  0.0168  31  ARG A NE    
231  C CZ    . ARG A 38  ? 1.6564 2.3375 2.0068 0.0877  0.2175  0.0135  31  ARG A CZ    
232  N NH1   . ARG A 38  ? 1.5106 2.1848 1.8599 0.0875  0.1985  0.0050  31  ARG A NH1   
233  N NH2   . ARG A 38  ? 1.4777 2.1275 1.8188 0.0703  0.2298  0.0197  31  ARG A NH2   
234  N N     . ALA A 39  ? 0.8551 1.6138 1.2103 0.2494  0.1866  -0.0036 32  ALA A N     
235  C CA    . ALA A 39  ? 0.8630 1.6491 1.2347 0.2763  0.1820  -0.0022 32  ALA A CA    
236  C C     . ALA A 39  ? 0.9407 1.7101 1.3003 0.3095  0.1917  -0.0082 32  ALA A C     
237  O O     . ALA A 39  ? 0.9497 1.7506 1.3277 0.3338  0.1940  -0.0056 32  ALA A O     
238  C CB    . ALA A 39  ? 0.8647 1.6339 1.2342 0.2762  0.1639  -0.0008 32  ALA A CB    
239  N N     . PHE A 40  ? 0.8972 1.6194 1.2266 0.3107  0.1977  -0.0168 33  PHE A N     
240  C CA    . PHE A 40  ? 0.9173 1.6210 1.2327 0.3382  0.2076  -0.0268 33  PHE A CA    
241  C C     . PHE A 40  ? 0.9970 1.7032 1.2970 0.3349  0.2228  -0.0318 33  PHE A C     
242  O O     . PHE A 40  ? 1.0063 1.6918 1.2879 0.3532  0.2308  -0.0439 33  PHE A O     
243  C CB    . PHE A 40  ? 0.9497 1.5934 1.2421 0.3481  0.1991  -0.0356 33  PHE A CB    
244  C CG    . PHE A 40  ? 0.9751 1.6178 1.2815 0.3564  0.1865  -0.0283 33  PHE A CG    
245  C CD1   . PHE A 40  ? 1.0406 1.7036 1.3650 0.3856  0.1903  -0.0254 33  PHE A CD1   
246  C CD2   . PHE A 40  ? 0.9845 1.6080 1.2857 0.3366  0.1716  -0.0233 33  PHE A CD2   
247  C CE1   . PHE A 40  ? 1.0523 1.7166 1.3885 0.3958  0.1792  -0.0156 33  PHE A CE1   
248  C CE2   . PHE A 40  ? 1.0232 1.6498 1.3354 0.3455  0.1601  -0.0151 33  PHE A CE2   
249  C CZ    . PHE A 40  ? 1.0194 1.6676 1.3491 0.3753  0.1638  -0.0102 33  PHE A CZ    
250  N N     . ARG A 41  ? 0.9596 1.6934 1.2681 0.3116  0.2279  -0.0224 34  ARG A N     
251  C CA    . ARG A 41  ? 0.9723 1.7154 1.2685 0.3065  0.2435  -0.0217 34  ARG A CA    
252  C C     . ARG A 41  ? 1.0329 1.7268 1.2909 0.3102  0.2439  -0.0325 34  ARG A C     
253  O O     . ARG A 41  ? 1.0544 1.7574 1.2980 0.3208  0.2571  -0.0375 34  ARG A O     
254  C CB    . ARG A 41  ? 1.0096 1.8023 1.3222 0.3265  0.2592  -0.0216 34  ARG A CB    
255  C CG    . ARG A 41  ? 1.1508 2.0036 1.5001 0.3150  0.2645  -0.0084 34  ARG A CG    
256  C CD    . ARG A 41  ? 1.2618 2.1479 1.6406 0.3311  0.2577  -0.0073 34  ARG A CD    
257  N NE    . ARG A 41  ? 1.4066 2.3614 1.8190 0.3314  0.2689  0.0012  34  ARG A NE    
258  C CZ    . ARG A 41  ? 1.6049 2.5976 2.0433 0.3047  0.2687  0.0113  34  ARG A CZ    
259  N NH1   . ARG A 41  ? 1.4190 2.4765 1.8892 0.3058  0.2799  0.0180  34  ARG A NH1   
260  N NH2   . ARG A 41  ? 1.4681 2.4347 1.9018 0.2758  0.2582  0.0136  34  ARG A NH2   
261  N N     . VAL A 42  ? 0.9483 1.5942 1.1901 0.3018  0.2295  -0.0368 35  VAL A N     
262  C CA    . VAL A 42  ? 0.9339 1.5364 1.1418 0.3035  0.2283  -0.0478 35  VAL A CA    
263  C C     . VAL A 42  ? 0.9860 1.5877 1.1804 0.2838  0.2337  -0.0384 35  VAL A C     
264  O O     . VAL A 42  ? 0.9763 1.5679 1.1758 0.2622  0.2276  -0.0283 35  VAL A O     
265  C CB    . VAL A 42  ? 0.9608 1.5141 1.1564 0.3051  0.2133  -0.0570 35  VAL A CB    
266  C CG1   . VAL A 42  ? 0.9619 1.4808 1.1260 0.3112  0.2148  -0.0725 35  VAL A CG1   
267  C CG2   . VAL A 42  ? 0.9649 1.5215 1.1786 0.3246  0.2095  -0.0604 35  VAL A CG2   
268  N N     . SER A 43  ? 0.9695 1.5859 1.1485 0.2925  0.2471  -0.0409 36  SER A N     
269  C CA    . SER A 43  ? 0.9792 1.6005 1.1434 0.2803  0.2564  -0.0298 36  SER A CA    
270  C C     . SER A 43  ? 1.0361 1.6171 1.1672 0.2789  0.2491  -0.0379 36  SER A C     
271  O O     . SER A 43  ? 1.0373 1.6051 1.1511 0.2944  0.2465  -0.0561 36  SER A O     
272  C CB    . SER A 43  ? 1.0571 1.7207 1.2203 0.2937  0.2746  -0.0278 36  SER A CB    
273  O OG    . SER A 43  ? 1.2293 1.9033 1.3790 0.2850  0.2866  -0.0136 36  SER A OG    
274  N N     . PRO A 44  ? 0.9991 1.5606 1.1214 0.2608  0.2466  -0.0260 37  PRO A N     
275  C CA    . PRO A 44  ? 0.9950 1.5245 1.0870 0.2611  0.2399  -0.0333 37  PRO A CA    
276  C C     . PRO A 44  ? 1.0003 1.5527 1.0687 0.2740  0.2522  -0.0350 37  PRO A C     
277  O O     . PRO A 44  ? 0.9877 1.5756 1.0641 0.2769  0.2670  -0.0235 37  PRO A O     
278  C CB    . PRO A 44  ? 1.0064 1.5128 1.1004 0.2394  0.2357  -0.0178 37  PRO A CB    
279  C CG    . PRO A 44  ? 1.0596 1.5811 1.1870 0.2262  0.2366  -0.0078 37  PRO A CG    
280  C CD    . PRO A 44  ? 1.0162 1.5820 1.1563 0.2389  0.2500  -0.0068 37  PRO A CD    
281  N N     . PRO A 45  ? 0.9312 1.4699 0.9718 0.2828  0.2473  -0.0506 38  PRO A N     
282  C CA    . PRO A 45  ? 0.9091 1.4078 0.9377 0.2792  0.2315  -0.0651 38  PRO A CA    
283  C C     . PRO A 45  ? 0.9409 1.4213 0.9771 0.2885  0.2235  -0.0871 38  PRO A C     
284  O O     . PRO A 45  ? 0.9290 1.3783 0.9535 0.2871  0.2130  -0.1014 38  PRO A O     
285  C CB    . PRO A 45  ? 0.9437 1.4494 0.9406 0.2850  0.2336  -0.0709 38  PRO A CB    
286  C CG    . PRO A 45  ? 1.0143 1.5627 1.0053 0.3001  0.2484  -0.0731 38  PRO A CG    
287  C CD    . PRO A 45  ? 0.9553 1.5241 0.9727 0.2955  0.2589  -0.0526 38  PRO A CD    
288  N N     . LEU A 46  ? 0.8950 1.3939 0.9521 0.2983  0.2292  -0.0888 39  LEU A N     
289  C CA    . LEU A 46  ? 0.8959 1.3768 0.9617 0.3104  0.2244  -0.1069 39  LEU A CA    
290  C C     . LEU A 46  ? 0.9290 1.3778 1.0096 0.3008  0.2108  -0.1021 39  LEU A C     
291  O O     . LEU A 46  ? 0.9006 1.3574 0.9984 0.2887  0.2080  -0.0842 39  LEU A O     
292  C CB    . LEU A 46  ? 0.9061 1.4200 0.9892 0.3276  0.2361  -0.1096 39  LEU A CB    
293  C CG    . LEU A 46  ? 0.9704 1.5242 1.0416 0.3379  0.2516  -0.1117 39  LEU A CG    
294  C CD1   . LEU A 46  ? 0.9708 1.5615 1.0661 0.3509  0.2631  -0.1071 39  LEU A CD1   
295  C CD2   . LEU A 46  ? 1.0061 1.5510 1.0494 0.3487  0.2533  -0.1374 39  LEU A CD2   
296  N N     . THR A 47  ? 0.9085 1.3218 0.9828 0.3061  0.2033  -0.1189 40  THR A N     
297  C CA    . THR A 47  ? 0.8946 1.2752 0.9800 0.3002  0.1911  -0.1158 40  THR A CA    
298  C C     . THR A 47  ? 0.9709 1.3405 1.0702 0.3187  0.1931  -0.1259 40  THR A C     
299  O O     . THR A 47  ? 0.9603 1.3046 1.0692 0.3179  0.1847  -0.1223 40  THR A O     
300  C CB    . THR A 47  ? 0.9753 1.3194 1.0413 0.2873  0.1810  -0.1216 40  THR A CB    
301  O OG1   . THR A 47  ? 0.9964 1.3250 1.0452 0.2956  0.1836  -0.1449 40  THR A OG1   
302  C CG2   . THR A 47  ? 0.9101 1.2628 0.9652 0.2709  0.1794  -0.1078 40  THR A CG2   
303  N N     . THR A 48  ? 0.9590 1.3480 1.0591 0.3367  0.2056  -0.1379 41  THR A N     
304  C CA    . THR A 48  ? 0.9761 1.3565 1.0902 0.3578  0.2113  -0.1476 41  THR A CA    
305  C C     . THR A 48  ? 0.9970 1.4182 1.1374 0.3670  0.2162  -0.1310 41  THR A C     
306  O O     . THR A 48  ? 0.9858 1.4452 1.1301 0.3590  0.2198  -0.1190 41  THR A O     
307  C CB    . THR A 48  ? 1.1385 1.5126 1.2371 0.3720  0.2227  -0.1743 41  THR A CB    
308  O OG1   . THR A 48  ? 1.1811 1.5995 1.2735 0.3756  0.2330  -0.1743 41  THR A OG1   
309  C CG2   . THR A 48  ? 1.0942 1.4301 1.1691 0.3614  0.2171  -0.1935 41  THR A CG2   
310  N N     . GLY A 49  ? 0.9391 1.3531 1.0985 0.3834  0.2167  -0.1290 42  GLY A N     
311  C CA    . GLY A 49  ? 0.9268 1.3832 1.1139 0.3940  0.2201  -0.1133 42  GLY A CA    
312  C C     . GLY A 49  ? 0.9978 1.4396 1.2035 0.4128  0.2183  -0.1089 42  GLY A C     
313  O O     . GLY A 49  ? 1.0242 1.4210 1.2211 0.4231  0.2202  -0.1220 42  GLY A O     
314  N N     . PRO A 50  ? 0.9361 1.4169 1.1684 0.4177  0.2152  -0.0899 43  PRO A N     
315  C CA    . PRO A 50  ? 0.9575 1.4301 1.2081 0.4388  0.2134  -0.0818 43  PRO A CA    
316  C C     . PRO A 50  ? 1.0583 1.4809 1.2989 0.4312  0.2014  -0.0789 43  PRO A C     
317  O O     . PRO A 50  ? 1.0436 1.4553 1.2713 0.4055  0.1902  -0.0763 43  PRO A O     
318  C CB    . PRO A 50  ? 0.9540 1.4876 1.2327 0.4380  0.2090  -0.0615 43  PRO A CB    
319  C CG    . PRO A 50  ? 0.9873 1.5600 1.2654 0.4239  0.2154  -0.0631 43  PRO A CG    
320  C CD    . PRO A 50  ? 0.9227 1.4583 1.1708 0.4039  0.2136  -0.0749 43  PRO A CD    
321  N N     . PRO A 51  ? 1.0480 1.4391 1.2947 0.4535  0.2047  -0.0782 44  PRO A N     
322  C CA    . PRO A 51  ? 1.0412 1.3840 1.2784 0.4464  0.1951  -0.0741 44  PRO A CA    
323  C C     . PRO A 51  ? 1.0199 1.3792 1.2589 0.4248  0.1774  -0.0563 44  PRO A C     
324  O O     . PRO A 51  ? 1.0074 1.3290 1.2295 0.4079  0.1694  -0.0591 44  PRO A O     
325  C CB    . PRO A 51  ? 1.1017 1.4255 1.3537 0.4779  0.2034  -0.0678 44  PRO A CB    
326  C CG    . PRO A 51  ? 1.1784 1.5174 1.4382 0.5000  0.2206  -0.0801 44  PRO A CG    
327  C CD    . PRO A 51  ? 1.0966 1.4918 1.3588 0.4869  0.2196  -0.0809 44  PRO A CD    
328  N N     . GLU A 52  ? 0.9358 1.3528 1.1955 0.4241  0.1719  -0.0401 45  GLU A N     
329  C CA    . GLU A 52  ? 0.9020 1.3432 1.1662 0.4028  0.1560  -0.0258 45  GLU A CA    
330  C C     . GLU A 52  ? 0.9055 1.3398 1.1524 0.3709  0.1509  -0.0335 45  GLU A C     
331  O O     . GLU A 52  ? 0.9048 1.3178 1.1406 0.3529  0.1397  -0.0302 45  GLU A O     
332  C CB    . GLU A 52  ? 0.9171 1.4269 1.2098 0.4096  0.1534  -0.0110 45  GLU A CB    
333  C CG    . GLU A 52  ? 1.1060 1.6531 1.4052 0.3815  0.1400  -0.0029 45  GLU A CG    
334  C CD    . GLU A 52  ? 1.5180 2.0647 1.8178 0.3757  0.1247  0.0093  45  GLU A CD    
335  O OE1   . GLU A 52  ? 1.3935 1.9283 1.6809 0.3482  0.1153  0.0070  45  GLU A OE1   
336  O OE2   . GLU A 52  ? 1.5187 2.0816 1.8320 0.3992  0.1225  0.0222  45  GLU A OE2   
337  N N     . PHE A 53  ? 0.8240 1.2770 1.0684 0.3653  0.1601  -0.0424 46  PHE A N     
338  C CA    . PHE A 53  ? 0.7776 1.2241 1.0053 0.3392  0.1588  -0.0481 46  PHE A CA    
339  C C     . PHE A 53  ? 0.8322 1.2204 1.0333 0.3340  0.1565  -0.0599 46  PHE A C     
340  O O     . PHE A 53  ? 0.8277 1.1979 1.0158 0.3127  0.1479  -0.0585 46  PHE A O     
341  C CB    . PHE A 53  ? 0.7900 1.2650 1.0182 0.3412  0.1724  -0.0546 46  PHE A CB    
342  C CG    . PHE A 53  ? 0.7826 1.2407 0.9880 0.3210  0.1738  -0.0611 46  PHE A CG    
343  C CD1   . PHE A 53  ? 0.7901 1.2637 0.9974 0.2963  0.1694  -0.0515 46  PHE A CD1   
344  C CD2   . PHE A 53  ? 0.8086 1.2331 0.9904 0.3264  0.1792  -0.0770 46  PHE A CD2   
345  C CE1   . PHE A 53  ? 0.7890 1.2438 0.9750 0.2802  0.1712  -0.0547 46  PHE A CE1   
346  C CE2   . PHE A 53  ? 0.8297 1.2410 0.9898 0.3094  0.1790  -0.0811 46  PHE A CE2   
347  C CZ    . PHE A 53  ? 0.7851 1.2114 0.9475 0.2879  0.1755  -0.0684 46  PHE A CZ    
348  N N     . GLU A 54  ? 0.8057 1.1655 1.0001 0.3534  0.1651  -0.0726 47  GLU A N     
349  C CA    . GLU A 54  ? 0.8204 1.1277 0.9925 0.3501  0.1653  -0.0877 47  GLU A CA    
350  C C     . GLU A 54  ? 0.8330 1.1061 1.0002 0.3407  0.1534  -0.0804 47  GLU A C     
351  O O     . GLU A 54  ? 0.8208 1.0619 0.9691 0.3257  0.1493  -0.0886 47  GLU A O     
352  C CB    . GLU A 54  ? 0.8790 1.1660 1.0505 0.3736  0.1787  -0.1037 47  GLU A CB    
353  C CG    . GLU A 54  ? 1.0788 1.3911 1.2447 0.3784  0.1906  -0.1173 47  GLU A CG    
354  C CD    . GLU A 54  ? 1.5064 1.7898 1.6596 0.3910  0.2025  -0.1426 47  GLU A CD    
355  O OE1   . GLU A 54  ? 1.4617 1.6984 1.6107 0.3950  0.2029  -0.1516 47  GLU A OE1   
356  O OE2   . GLU A 54  ? 1.4983 1.8065 1.6453 0.3957  0.2123  -0.1541 47  GLU A OE2   
357  N N     . ARG A 55  ? 0.7641 1.0493 0.9483 0.3497  0.1479  -0.0640 48  ARG A N     
358  C CA    . ARG A 55  ? 0.7424 1.0039 0.9241 0.3439  0.1371  -0.0533 48  ARG A CA    
359  C C     . ARG A 55  ? 0.7400 1.0151 0.9152 0.3169  0.1250  -0.0471 48  ARG A C     
360  O O     . ARG A 55  ? 0.7266 0.9683 0.8861 0.3031  0.1188  -0.0495 48  ARG A O     
361  C CB    . ARG A 55  ? 0.7234 1.0044 0.9258 0.3651  0.1358  -0.0361 48  ARG A CB    
362  C CG    . ARG A 55  ? 0.7096 0.9564 0.9158 0.3921  0.1474  -0.0392 48  ARG A CG    
363  C CD    . ARG A 55  ? 0.7054 0.9619 0.9276 0.4121  0.1444  -0.0176 48  ARG A CD    
364  N NE    . ARG A 55  ? 0.7348 1.0569 0.9772 0.4169  0.1385  -0.0029 48  ARG A NE    
365  C CZ    . ARG A 55  ? 0.8954 1.2529 1.1570 0.4389  0.1474  -0.0003 48  ARG A CZ    
366  N NH1   . ARG A 55  ? 0.6327 1.0539 0.9139 0.4402  0.1410  0.0127  48  ARG A NH1   
367  N NH2   . ARG A 55  ? 0.7022 1.0331 0.9640 0.4589  0.1634  -0.0121 48  ARG A NH2   
368  N N     . VAL A 56  ? 0.6716 0.9950 0.8598 0.3089  0.1230  -0.0400 49  VAL A N     
369  C CA    . VAL A 56  ? 0.6452 0.9847 0.8310 0.2828  0.1143  -0.0351 49  VAL A CA    
370  C C     . VAL A 56  ? 0.6825 0.9935 0.8461 0.2659  0.1167  -0.0460 49  VAL A C     
371  O O     . VAL A 56  ? 0.6805 0.9720 0.8322 0.2484  0.1091  -0.0450 49  VAL A O     
372  C CB    . VAL A 56  ? 0.6887 1.0859 0.8962 0.2787  0.1159  -0.0282 49  VAL A CB    
373  C CG1   . VAL A 56  ? 0.6686 1.0790 0.8756 0.2503  0.1095  -0.0252 49  VAL A CG1   
374  C CG2   . VAL A 56  ? 0.6942 1.1257 0.9241 0.2965  0.1125  -0.0170 49  VAL A CG2   
375  N N     . TYR A 57  ? 0.6360 0.9471 0.7937 0.2732  0.1276  -0.0563 50  TYR A N     
376  C CA    . TYR A 57  ? 0.6194 0.9117 0.7563 0.2622  0.1311  -0.0662 50  TYR A CA    
377  C C     . TYR A 57  ? 0.6785 0.9236 0.7972 0.2600  0.1265  -0.0751 50  TYR A C     
378  O O     . TYR A 57  ? 0.6964 0.9262 0.7998 0.2441  0.1227  -0.0769 50  TYR A O     
379  C CB    . TYR A 57  ? 0.6363 0.9472 0.7716 0.2736  0.1441  -0.0752 50  TYR A CB    
380  C CG    . TYR A 57  ? 0.6528 0.9463 0.7644 0.2665  0.1475  -0.0864 50  TYR A CG    
381  C CD1   . TYR A 57  ? 0.6593 0.9583 0.7619 0.2483  0.1460  -0.0796 50  TYR A CD1   
382  C CD2   . TYR A 57  ? 0.6765 0.9466 0.7749 0.2773  0.1518  -0.1041 50  TYR A CD2   
383  C CE1   . TYR A 57  ? 0.6567 0.9426 0.7371 0.2436  0.1481  -0.0876 50  TYR A CE1   
384  C CE2   . TYR A 57  ? 0.6914 0.9502 0.7678 0.2699  0.1529  -0.1151 50  TYR A CE2   
385  C CZ    . TYR A 57  ? 0.7761 1.0453 0.8433 0.2543  0.1507  -0.1056 50  TYR A CZ    
386  O OH    . TYR A 57  ? 0.8489 1.1127 0.8947 0.2497  0.1517  -0.1144 50  TYR A OH    
387  N N     . ARG A 58  ? 0.6399 0.8619 0.7615 0.2759  0.1280  -0.0799 51  ARG A N     
388  C CA    . ARG A 58  ? 0.6469 0.8233 0.7547 0.2736  0.1255  -0.0888 51  ARG A CA    
389  C C     . ARG A 58  ? 0.6474 0.8104 0.7527 0.2596  0.1137  -0.0770 51  ARG A C     
390  O O     . ARG A 58  ? 0.6288 0.7661 0.7189 0.2468  0.1098  -0.0825 51  ARG A O     
391  C CB    . ARG A 58  ? 0.6839 0.8361 0.7979 0.2944  0.1333  -0.0966 51  ARG A CB    
392  C CG    . ARG A 58  ? 0.7831 0.8872 0.8838 0.2895  0.1335  -0.1090 51  ARG A CG    
393  C CD    . ARG A 58  ? 0.9434 1.0335 1.0337 0.2927  0.1433  -0.1335 51  ARG A CD    
394  N NE    . ARG A 58  ? 1.1231 1.2453 1.2038 0.2866  0.1451  -0.1407 51  ARG A NE    
395  C CZ    . ARG A 58  ? 1.3932 1.5171 1.4570 0.2700  0.1403  -0.1459 51  ARG A CZ    
396  N NH1   . ARG A 58  ? 1.2281 1.3247 1.2836 0.2566  0.1327  -0.1460 51  ARG A NH1   
397  N NH2   . ARG A 58  ? 1.2606 1.4151 1.3160 0.2679  0.1437  -0.1496 51  ARG A NH2   
398  N N     . ALA A 59  ? 0.5956 0.7818 0.7158 0.2616  0.1080  -0.0614 52  ALA A N     
399  C CA    . ALA A 59  ? 0.5746 0.7584 0.6939 0.2493  0.0968  -0.0499 52  ALA A CA    
400  C C     . ALA A 59  ? 0.6251 0.8096 0.7322 0.2262  0.0925  -0.0518 52  ALA A C     
401  O O     . ALA A 59  ? 0.6152 0.7758 0.7107 0.2149  0.0864  -0.0513 52  ALA A O     
402  C CB    . ALA A 59  ? 0.5714 0.7941 0.7100 0.2559  0.0923  -0.0357 52  ALA A CB    
403  N N     . GLN A 60  ? 0.5905 0.8011 0.7004 0.2202  0.0974  -0.0534 53  GLN A N     
404  C CA    . GLN A 60  ? 0.5636 0.7751 0.6640 0.2008  0.0967  -0.0532 53  GLN A CA    
405  C C     . GLN A 60  ? 0.6015 0.7825 0.6814 0.1978  0.0988  -0.0632 53  GLN A C     
406  O O     . GLN A 60  ? 0.5949 0.7594 0.6640 0.1844  0.0940  -0.0619 53  GLN A O     
407  C CB    . GLN A 60  ? 0.5730 0.8204 0.6842 0.1975  0.1040  -0.0500 53  GLN A CB    
408  C CG    . GLN A 60  ? 0.6308 0.8771 0.7335 0.1794  0.1067  -0.0477 53  GLN A CG    
409  C CD    . GLN A 60  ? 1.0218 1.2866 1.1236 0.1827  0.1186  -0.0484 53  GLN A CD    
410  O OE1   . GLN A 60  ? 1.0723 1.3357 1.1667 0.1968  0.1241  -0.0563 53  GLN A OE1   
411  N NE2   . GLN A 60  ? 0.9073 1.1905 1.0169 0.1694  0.1239  -0.0405 53  GLN A NE2   
412  N N     . VAL A 61  ? 0.5712 0.7460 0.6463 0.2107  0.1056  -0.0744 54  VAL A N     
413  C CA    . VAL A 61  ? 0.5629 0.7153 0.6196 0.2086  0.1074  -0.0871 54  VAL A CA    
414  C C     . VAL A 61  ? 0.6417 0.7603 0.6917 0.2029  0.1001  -0.0888 54  VAL A C     
415  O O     . VAL A 61  ? 0.6436 0.7504 0.6806 0.1913  0.0969  -0.0908 54  VAL A O     
416  C CB    . VAL A 61  ? 0.5973 0.7537 0.6515 0.2234  0.1166  -0.1021 54  VAL A CB    
417  C CG1   . VAL A 61  ? 0.5905 0.7241 0.6276 0.2206  0.1169  -0.1186 54  VAL A CG1   
418  C CG2   . VAL A 61  ? 0.5752 0.7669 0.6311 0.2263  0.1245  -0.0995 54  VAL A CG2   
419  N N     . ASN A 62  ? 0.6211 0.7266 0.6810 0.2116  0.0980  -0.0854 55  ASN A N     
420  C CA    . ASN A 62  ? 0.6261 0.6996 0.6816 0.2077  0.0928  -0.0844 55  ASN A CA    
421  C C     . ASN A 62  ? 0.6745 0.7482 0.7250 0.1921  0.0841  -0.0740 55  ASN A C     
422  O O     . ASN A 62  ? 0.6970 0.7494 0.7360 0.1826  0.0812  -0.0779 55  ASN A O     
423  C CB    . ASN A 62  ? 0.6428 0.7051 0.7107 0.2230  0.0945  -0.0792 55  ASN A CB    
424  C CG    . ASN A 62  ? 0.7138 0.7648 0.7851 0.2380  0.1049  -0.0926 55  ASN A CG    
425  O OD1   . ASN A 62  ? 0.6400 0.6776 0.7013 0.2342  0.1092  -0.1095 55  ASN A OD1   
426  N ND2   . ASN A 62  ? 0.6458 0.7045 0.7319 0.2558  0.1095  -0.0862 55  ASN A ND2   
427  N N     . CYS A 63  ? 0.6133 0.7133 0.6729 0.1886  0.0806  -0.0626 56  CYS A N     
428  C CA    . CYS A 63  ? 0.5862 0.6899 0.6422 0.1729  0.0736  -0.0550 56  CYS A CA    
429  C C     . CYS A 63  ? 0.5945 0.6933 0.6378 0.1603  0.0757  -0.0595 56  CYS A C     
430  O O     . CYS A 63  ? 0.5961 0.6804 0.6304 0.1494  0.0715  -0.0579 56  CYS A O     
431  C CB    . CYS A 63  ? 0.5958 0.7329 0.6666 0.1711  0.0710  -0.0458 56  CYS A CB    
432  S SG    . CYS A 63  ? 0.6642 0.8124 0.7486 0.1858  0.0657  -0.0358 56  CYS A SG    
433  N N     . SER A 64  ? 0.5433 0.6546 0.5851 0.1636  0.0830  -0.0643 57  SER A N     
434  C CA    . SER A 64  ? 0.5217 0.6312 0.5509 0.1561  0.0866  -0.0665 57  SER A CA    
435  C C     . SER A 64  ? 0.5978 0.6838 0.6129 0.1559  0.0846  -0.0759 57  SER A C     
436  O O     . SER A 64  ? 0.5932 0.6714 0.5985 0.1469  0.0830  -0.0739 57  SER A O     
437  C CB    . SER A 64  ? 0.5648 0.6973 0.5955 0.1627  0.0955  -0.0682 57  SER A CB    
438  O OG    . SER A 64  ? 0.7452 0.8934 0.7811 0.1533  0.0991  -0.0580 57  SER A OG    
439  N N     . GLU A 65  ? 0.5871 0.6621 0.6022 0.1653  0.0858  -0.0867 58  GLU A N     
440  C CA    . GLU A 65  ? 0.5977 0.6521 0.6020 0.1626  0.0844  -0.0980 58  GLU A CA    
441  C C     . GLU A 65  ? 0.6286 0.6625 0.6298 0.1524  0.0776  -0.0920 58  GLU A C     
442  O O     . GLU A 65  ? 0.6217 0.6484 0.6127 0.1450  0.0759  -0.0959 58  GLU A O     
443  C CB    . GLU A 65  ? 0.6379 0.6786 0.6469 0.1726  0.0881  -0.1109 58  GLU A CB    
444  C CG    . GLU A 65  ? 0.8963 0.9555 0.9056 0.1830  0.0956  -0.1214 58  GLU A CG    
445  C CD    . GLU A 65  ? 1.2951 1.3415 1.2998 0.1868  0.1001  -0.1428 58  GLU A CD    
446  O OE1   . GLU A 65  ? 1.0610 1.0796 1.0659 0.1818  0.0984  -0.1493 58  GLU A OE1   
447  O OE2   . GLU A 65  ? 1.1906 1.2563 1.1912 0.1936  0.1059  -0.1539 58  GLU A OE2   
448  N N     . TYR A 66  ? 0.5767 0.6052 0.5866 0.1531  0.0740  -0.0823 59  TYR A N     
449  C CA    . TYR A 66  ? 0.5725 0.5840 0.5799 0.1456  0.0682  -0.0758 59  TYR A CA    
450  C C     . TYR A 66  ? 0.6243 0.6438 0.6276 0.1344  0.0643  -0.0671 59  TYR A C     
451  O O     . TYR A 66  ? 0.6360 0.6415 0.6329 0.1269  0.0604  -0.0646 59  TYR A O     
452  C CB    . TYR A 66  ? 0.5973 0.6014 0.6147 0.1542  0.0668  -0.0690 59  TYR A CB    
453  C CG    . TYR A 66  ? 0.6205 0.6009 0.6397 0.1618  0.0718  -0.0781 59  TYR A CG    
454  C CD1   . TYR A 66  ? 0.6366 0.5909 0.6505 0.1553  0.0714  -0.0808 59  TYR A CD1   
455  C CD2   . TYR A 66  ? 0.6506 0.6341 0.6768 0.1741  0.0785  -0.0862 59  TYR A CD2   
456  C CE1   . TYR A 66  ? 0.6780 0.6080 0.6951 0.1594  0.0778  -0.0916 59  TYR A CE1   
457  C CE2   . TYR A 66  ? 0.6778 0.6363 0.7060 0.1794  0.0850  -0.0981 59  TYR A CE2   
458  C CZ    . TYR A 66  ? 0.7603 0.6910 0.7845 0.1712  0.0848  -0.1010 59  TYR A CZ    
459  O OH    . TYR A 66  ? 0.8648 0.7685 0.8925 0.1736  0.0926  -0.1144 59  TYR A OH    
460  N N     . PHE A 67  ? 0.5702 0.6105 0.5771 0.1325  0.0666  -0.0634 60  PHE A N     
461  C CA    . PHE A 67  ? 0.5620 0.6067 0.5664 0.1208  0.0654  -0.0571 60  PHE A CA    
462  C C     . PHE A 67  ? 0.5793 0.6086 0.5700 0.1137  0.0658  -0.0591 60  PHE A C     
463  O O     . PHE A 67  ? 0.5698 0.5899 0.5568 0.1057  0.0623  -0.0557 60  PHE A O     
464  C CB    . PHE A 67  ? 0.5853 0.6526 0.5977 0.1191  0.0708  -0.0534 60  PHE A CB    
465  C CG    . PHE A 67  ? 0.6109 0.6798 0.6240 0.1055  0.0710  -0.0485 60  PHE A CG    
466  C CD1   . PHE A 67  ? 0.6583 0.7311 0.6768 0.0988  0.0645  -0.0464 60  PHE A CD1   
467  C CD2   . PHE A 67  ? 0.6490 0.7149 0.6567 0.0998  0.0783  -0.0463 60  PHE A CD2   
468  C CE1   . PHE A 67  ? 0.6632 0.7361 0.6818 0.0848  0.0654  -0.0456 60  PHE A CE1   
469  C CE2   . PHE A 67  ? 0.6904 0.7526 0.6997 0.0869  0.0806  -0.0433 60  PHE A CE2   
470  C CZ    . PHE A 67  ? 0.6568 0.7221 0.6716 0.0785  0.0741  -0.0447 60  PHE A CZ    
471  N N     . PRO A 68  ? 0.5301 0.5592 0.5132 0.1175  0.0696  -0.0649 61  PRO A N     
472  C CA    . PRO A 68  ? 0.5254 0.5452 0.4972 0.1126  0.0694  -0.0658 61  PRO A CA    
473  C C     . PRO A 68  ? 0.6018 0.6035 0.5705 0.1089  0.0640  -0.0691 61  PRO A C     
474  O O     . PRO A 68  ? 0.6223 0.6166 0.5845 0.1027  0.0629  -0.0665 61  PRO A O     
475  C CB    . PRO A 68  ? 0.5427 0.5746 0.5084 0.1195  0.0735  -0.0725 61  PRO A CB    
476  C CG    . PRO A 68  ? 0.5798 0.6279 0.5524 0.1260  0.0781  -0.0714 61  PRO A CG    
477  C CD    . PRO A 68  ? 0.5309 0.5733 0.5147 0.1268  0.0745  -0.0710 61  PRO A CD    
478  N N     . LEU A 69  ? 0.5622 0.5559 0.5362 0.1133  0.0621  -0.0740 62  LEU A N     
479  C CA    . LEU A 69  ? 0.5699 0.5444 0.5434 0.1103  0.0590  -0.0757 62  LEU A CA    
480  C C     . LEU A 69  ? 0.6160 0.5858 0.5896 0.1054  0.0549  -0.0651 62  LEU A C     
481  O O     . LEU A 69  ? 0.6435 0.6028 0.6113 0.0990  0.0531  -0.0632 62  LEU A O     
482  C CB    . LEU A 69  ? 0.5801 0.5452 0.5616 0.1183  0.0609  -0.0815 62  LEU A CB    
483  C CG    . LEU A 69  ? 0.6190 0.5775 0.5991 0.1186  0.0644  -0.0970 62  LEU A CG    
484  C CD1   . LEU A 69  ? 0.5811 0.5601 0.5545 0.1191  0.0661  -0.1044 62  LEU A CD1   
485  C CD2   . LEU A 69  ? 0.6210 0.5677 0.6104 0.1274  0.0688  -0.1033 62  LEU A CD2   
486  N N     . PHE A 70  ? 0.5589 0.5403 0.5393 0.1081  0.0537  -0.0588 63  PHE A N     
487  C CA    . PHE A 70  ? 0.5432 0.5282 0.5237 0.1031  0.0492  -0.0507 63  PHE A CA    
488  C C     . PHE A 70  ? 0.5874 0.5717 0.5594 0.0926  0.0498  -0.0507 63  PHE A C     
489  O O     . PHE A 70  ? 0.6046 0.5815 0.5707 0.0872  0.0471  -0.0482 63  PHE A O     
490  C CB    . PHE A 70  ? 0.5539 0.5596 0.5451 0.1072  0.0479  -0.0465 63  PHE A CB    
491  C CG    . PHE A 70  ? 0.5526 0.5718 0.5441 0.0984  0.0438  -0.0421 63  PHE A CG    
492  C CD1   . PHE A 70  ? 0.5967 0.6149 0.5846 0.0972  0.0382  -0.0367 63  PHE A CD1   
493  C CD2   . PHE A 70  ? 0.5359 0.5689 0.5311 0.0906  0.0465  -0.0441 63  PHE A CD2   
494  C CE1   . PHE A 70  ? 0.5927 0.6272 0.5798 0.0882  0.0341  -0.0357 63  PHE A CE1   
495  C CE2   . PHE A 70  ? 0.5654 0.6104 0.5618 0.0801  0.0435  -0.0438 63  PHE A CE2   
496  C CZ    . PHE A 70  ? 0.5495 0.5972 0.5416 0.0789  0.0366  -0.0408 63  PHE A CZ    
497  N N     . LEU A 71  ? 0.5589 0.5499 0.5303 0.0910  0.0547  -0.0527 64  LEU A N     
498  C CA    . LEU A 71  ? 0.5812 0.5682 0.5459 0.0832  0.0578  -0.0516 64  LEU A CA    
499  C C     . LEU A 71  ? 0.6153 0.5893 0.5704 0.0818  0.0577  -0.0531 64  LEU A C     
500  O O     . LEU A 71  ? 0.6141 0.5812 0.5637 0.0755  0.0577  -0.0516 64  LEU A O     
501  C CB    . LEU A 71  ? 0.5989 0.5941 0.5654 0.0842  0.0654  -0.0505 64  LEU A CB    
502  C CG    . LEU A 71  ? 0.6874 0.6973 0.6648 0.0823  0.0677  -0.0485 64  LEU A CG    
503  C CD1   . LEU A 71  ? 0.6995 0.7156 0.6778 0.0844  0.0773  -0.0453 64  LEU A CD1   
504  C CD2   . LEU A 71  ? 0.7369 0.7485 0.7180 0.0713  0.0652  -0.0483 64  LEU A CD2   
505  N N     . ALA A 72  ? 0.5726 0.5451 0.5263 0.0872  0.0579  -0.0575 65  ALA A N     
506  C CA    . ALA A 72  ? 0.5649 0.5305 0.5120 0.0855  0.0577  -0.0604 65  ALA A CA    
507  C C     . ALA A 72  ? 0.6111 0.5647 0.5566 0.0804  0.0539  -0.0583 65  ALA A C     
508  O O     . ALA A 72  ? 0.6115 0.5610 0.5507 0.0760  0.0546  -0.0566 65  ALA A O     
509  C CB    . ALA A 72  ? 0.5666 0.5372 0.5150 0.0904  0.0582  -0.0687 65  ALA A CB    
510  N N     . THR A 73  ? 0.5785 0.5275 0.5293 0.0825  0.0508  -0.0567 66  THR A N     
511  C CA    . THR A 73  ? 0.5779 0.5167 0.5269 0.0796  0.0482  -0.0519 66  THR A CA    
512  C C     . THR A 73  ? 0.6059 0.5499 0.5500 0.0751  0.0458  -0.0462 66  THR A C     
513  O O     . THR A 73  ? 0.6201 0.5588 0.5577 0.0708  0.0451  -0.0434 66  THR A O     
514  C CB    . THR A 73  ? 0.6437 0.5741 0.6003 0.0859  0.0478  -0.0501 66  THR A CB    
515  O OG1   . THR A 73  ? 0.8012 0.7423 0.7638 0.0921  0.0460  -0.0460 66  THR A OG1   
516  C CG2   . THR A 73  ? 0.5033 0.4279 0.4647 0.0886  0.0513  -0.0596 66  THR A CG2   
517  N N     . LEU A 74  ? 0.5526 0.5088 0.5003 0.0751  0.0451  -0.0458 67  LEU A N     
518  C CA    . LEU A 74  ? 0.5371 0.5013 0.4814 0.0684  0.0431  -0.0443 67  LEU A CA    
519  C C     . LEU A 74  ? 0.5903 0.5462 0.5256 0.0617  0.0471  -0.0473 67  LEU A C     
520  O O     . LEU A 74  ? 0.5981 0.5530 0.5262 0.0568  0.0457  -0.0468 67  LEU A O     
521  C CB    . LEU A 74  ? 0.5212 0.5009 0.4740 0.0673  0.0435  -0.0459 67  LEU A CB    
522  C CG    . LEU A 74  ? 0.5482 0.5384 0.5002 0.0571  0.0428  -0.0487 67  LEU A CG    
523  C CD1   . LEU A 74  ? 0.5373 0.5421 0.4876 0.0565  0.0350  -0.0455 67  LEU A CD1   
524  C CD2   . LEU A 74  ? 0.4830 0.4836 0.4450 0.0536  0.0471  -0.0517 67  LEU A CD2   
525  N N     . TRP A 75  ? 0.5679 0.5196 0.5031 0.0631  0.0527  -0.0498 68  TRP A N     
526  C CA    . TRP A 75  ? 0.5750 0.5192 0.5031 0.0601  0.0582  -0.0509 68  TRP A CA    
527  C C     . TRP A 75  ? 0.6193 0.5573 0.5411 0.0604  0.0573  -0.0503 68  TRP A C     
528  O O     . TRP A 75  ? 0.6270 0.5604 0.5419 0.0564  0.0594  -0.0506 68  TRP A O     
529  C CB    . TRP A 75  ? 0.5563 0.5014 0.4866 0.0641  0.0652  -0.0505 68  TRP A CB    
530  C CG    . TRP A 75  ? 0.5697 0.5175 0.5055 0.0598  0.0692  -0.0506 68  TRP A CG    
531  C CD1   . TRP A 75  ? 0.5918 0.5507 0.5366 0.0603  0.0676  -0.0505 68  TRP A CD1   
532  C CD2   . TRP A 75  ? 0.5816 0.5211 0.5157 0.0524  0.0758  -0.0524 68  TRP A CD2   
533  N NE1   . TRP A 75  ? 0.5704 0.5304 0.5202 0.0526  0.0726  -0.0518 68  TRP A NE1   
534  C CE2   . TRP A 75  ? 0.6129 0.5592 0.5563 0.0470  0.0782  -0.0537 68  TRP A CE2   
535  C CE3   . TRP A 75  ? 0.6074 0.5338 0.5339 0.0499  0.0814  -0.0537 68  TRP A CE3   
536  C CZ2   . TRP A 75  ? 0.6185 0.5571 0.5645 0.0371  0.0862  -0.0576 68  TRP A CZ2   
537  C CZ3   . TRP A 75  ? 0.6347 0.5514 0.5626 0.0418  0.0896  -0.0577 68  TRP A CZ3   
538  C CH2   . TRP A 75  ? 0.6461 0.5680 0.5840 0.0345  0.0921  -0.0602 68  TRP A CH2   
539  N N     . VAL A 76  ? 0.5651 0.5030 0.4901 0.0641  0.0550  -0.0505 69  VAL A N     
540  C CA    . VAL A 76  ? 0.5585 0.4919 0.4804 0.0623  0.0548  -0.0503 69  VAL A CA    
541  C C     . VAL A 76  ? 0.6446 0.5740 0.5622 0.0585  0.0521  -0.0458 69  VAL A C     
542  O O     . VAL A 76  ? 0.6848 0.6124 0.5958 0.0552  0.0541  -0.0448 69  VAL A O     
543  C CB    . VAL A 76  ? 0.5757 0.5097 0.5039 0.0647  0.0543  -0.0544 69  VAL A CB    
544  C CG1   . VAL A 76  ? 0.5659 0.4959 0.4936 0.0601  0.0550  -0.0546 69  VAL A CG1   
545  C CG2   . VAL A 76  ? 0.5540 0.4987 0.4833 0.0692  0.0568  -0.0588 69  VAL A CG2   
546  N N     . ALA A 77  ? 0.5905 0.5214 0.5113 0.0602  0.0481  -0.0422 70  ALA A N     
547  C CA    . ALA A 77  ? 0.5816 0.5140 0.4975 0.0588  0.0451  -0.0356 70  ALA A CA    
548  C C     . ALA A 77  ? 0.6422 0.5821 0.5491 0.0535  0.0448  -0.0376 70  ALA A C     
549  O O     . ALA A 77  ? 0.6450 0.5856 0.5432 0.0508  0.0449  -0.0347 70  ALA A O     
550  C CB    . ALA A 77  ? 0.5902 0.5270 0.5126 0.0647  0.0411  -0.0300 70  ALA A CB    
551  N N     . GLY A 78  ? 0.6014 0.5462 0.5105 0.0512  0.0457  -0.0435 71  GLY A N     
552  C CA    . GLY A 78  ? 0.6102 0.5598 0.5128 0.0442  0.0470  -0.0491 71  GLY A CA    
553  C C     . GLY A 78  ? 0.6936 0.6330 0.5883 0.0415  0.0537  -0.0530 71  GLY A C     
554  O O     . GLY A 78  ? 0.7091 0.6505 0.5955 0.0359  0.0552  -0.0577 71  GLY A O     
555  N N     . ILE A 79  ? 0.6737 0.6047 0.5711 0.0460  0.0582  -0.0517 72  ILE A N     
556  C CA    . ILE A 79  ? 0.6678 0.5919 0.5595 0.0464  0.0652  -0.0535 72  ILE A CA    
557  C C     . ILE A 79  ? 0.6990 0.6243 0.5858 0.0466  0.0643  -0.0498 72  ILE A C     
558  O O     . ILE A 79  ? 0.7100 0.6341 0.5888 0.0447  0.0683  -0.0517 72  ILE A O     
559  C CB    . ILE A 79  ? 0.6956 0.6163 0.5927 0.0523  0.0710  -0.0529 72  ILE A CB    
560  C CG1   . ILE A 79  ? 0.7095 0.6253 0.6094 0.0505  0.0761  -0.0558 72  ILE A CG1   
561  C CG2   . ILE A 79  ? 0.6823 0.6012 0.5754 0.0564  0.0773  -0.0518 72  ILE A CG2   
562  C CD1   . ILE A 79  ? 0.8065 0.7240 0.7130 0.0567  0.0789  -0.0524 72  ILE A CD1   
563  N N     . PHE A 80  ? 0.6389 0.5659 0.5310 0.0483  0.0604  -0.0452 73  PHE A N     
564  C CA    . PHE A 80  ? 0.6187 0.5459 0.5093 0.0471  0.0614  -0.0412 73  PHE A CA    
565  C C     . PHE A 80  ? 0.6879 0.6164 0.5734 0.0449  0.0582  -0.0344 73  PHE A C     
566  O O     . PHE A 80  ? 0.7100 0.6396 0.5906 0.0428  0.0610  -0.0304 73  PHE A O     
567  C CB    . PHE A 80  ? 0.6224 0.5495 0.5232 0.0486  0.0615  -0.0417 73  PHE A CB    
568  C CG    . PHE A 80  ? 0.6194 0.5524 0.5224 0.0521  0.0652  -0.0462 73  PHE A CG    
569  C CD1   . PHE A 80  ? 0.6436 0.5828 0.5444 0.0524  0.0698  -0.0461 73  PHE A CD1   
570  C CD2   . PHE A 80  ? 0.6197 0.5546 0.5265 0.0566  0.0648  -0.0488 73  PHE A CD2   
571  C CE1   . PHE A 80  ? 0.6349 0.5832 0.5379 0.0584  0.0735  -0.0478 73  PHE A CE1   
572  C CE2   . PHE A 80  ? 0.6369 0.5798 0.5446 0.0622  0.0689  -0.0499 73  PHE A CE2   
573  C CZ    . PHE A 80  ? 0.6106 0.5608 0.5165 0.0637  0.0730  -0.0490 73  PHE A CZ    
574  N N     . PHE A 81  ? 0.6387 0.5700 0.5251 0.0464  0.0531  -0.0319 74  PHE A N     
575  C CA    . PHE A 81  ? 0.6270 0.5639 0.5074 0.0469  0.0502  -0.0230 74  PHE A CA    
576  C C     . PHE A 81  ? 0.7359 0.6857 0.6047 0.0437  0.0483  -0.0274 74  PHE A C     
577  O O     . PHE A 81  ? 0.7517 0.7031 0.6109 0.0406  0.0522  -0.0300 74  PHE A O     
578  C CB    . PHE A 81  ? 0.6175 0.5528 0.5063 0.0525  0.0464  -0.0152 74  PHE A CB    
579  C CG    . PHE A 81  ? 0.6224 0.5632 0.5056 0.0561  0.0450  -0.0018 74  PHE A CG    
580  C CD1   . PHE A 81  ? 0.6376 0.5683 0.5207 0.0560  0.0503  0.0077  74  PHE A CD1   
581  C CD2   . PHE A 81  ? 0.6557 0.6141 0.5348 0.0600  0.0390  0.0025  74  PHE A CD2   
582  C CE1   . PHE A 81  ? 0.6704 0.6058 0.5477 0.0609  0.0506  0.0234  74  PHE A CE1   
583  C CE2   . PHE A 81  ? 0.6948 0.6625 0.5675 0.0658  0.0378  0.0176  74  PHE A CE2   
584  C CZ    . PHE A 81  ? 0.6766 0.6314 0.5476 0.0668  0.0442  0.0290  74  PHE A CZ    
585  N N     . HIS A 82  ? 0.7041 0.6648 0.5746 0.0438  0.0429  -0.0299 75  HIS A N     
586  C CA    . HIS A 82  ? 0.6971 0.6739 0.5590 0.0385  0.0402  -0.0376 75  HIS A CA    
587  C C     . HIS A 82  ? 0.7214 0.7045 0.5934 0.0369  0.0370  -0.0438 75  HIS A C     
588  O O     . HIS A 82  ? 0.7206 0.7082 0.6018 0.0428  0.0327  -0.0367 75  HIS A O     
589  C CB    . HIS A 82  ? 0.7175 0.7145 0.5695 0.0408  0.0350  -0.0288 75  HIS A CB    
590  C CG    . HIS A 82  ? 0.7715 0.7652 0.6128 0.0420  0.0392  -0.0211 75  HIS A CG    
591  N ND1   . HIS A 82  ? 0.7962 0.7902 0.6373 0.0491  0.0388  -0.0038 75  HIS A ND1   
592  C CD2   . HIS A 82  ? 0.7922 0.7820 0.6239 0.0375  0.0452  -0.0277 75  HIS A CD2   
593  C CE1   . HIS A 82  ? 0.7917 0.7825 0.6238 0.0473  0.0445  -0.0004 75  HIS A CE1   
594  N NE2   . HIS A 82  ? 0.7961 0.7859 0.6220 0.0408  0.0480  -0.0148 75  HIS A NE2   
595  N N     . GLU A 83  ? 0.6555 0.6384 0.5266 0.0289  0.0402  -0.0570 76  GLU A N     
596  C CA    . GLU A 83  ? 0.6383 0.6261 0.5199 0.0246  0.0397  -0.0643 76  GLU A CA    
597  C C     . GLU A 83  ? 0.6920 0.7080 0.5782 0.0245  0.0305  -0.0623 76  GLU A C     
598  O O     . GLU A 83  ? 0.6860 0.7063 0.5849 0.0279  0.0284  -0.0593 76  GLU A O     
599  C CB    . GLU A 83  ? 0.6558 0.6351 0.5349 0.0146  0.0474  -0.0788 76  GLU A CB    
600  C CG    . GLU A 83  ? 0.7585 0.7343 0.6512 0.0108  0.0508  -0.0834 76  GLU A CG    
601  C CD    . GLU A 83  ? 0.8610 0.8337 0.7555 -0.0021 0.0578  -0.0987 76  GLU A CD    
602  O OE1   . GLU A 83  ? 0.8823 0.8610 0.7668 -0.0099 0.0581  -0.1093 76  GLU A OE1   
603  O OE2   . GLU A 83  ? 0.8852 0.8494 0.7912 -0.0049 0.0639  -0.1005 76  GLU A OE2   
604  N N     . GLY A 84  ? 0.6353 0.6730 0.5110 0.0217  0.0252  -0.0636 77  GLY A N     
605  C CA    . GLY A 84  ? 0.6273 0.6990 0.5059 0.0229  0.0158  -0.0609 77  GLY A CA    
606  C C     . GLY A 84  ? 0.7125 0.7872 0.5974 0.0377  0.0114  -0.0423 77  GLY A C     
607  O O     . GLY A 84  ? 0.7270 0.8193 0.6238 0.0414  0.0067  -0.0395 77  GLY A O     
608  N N     . ALA A 85  ? 0.6736 0.7297 0.5520 0.0459  0.0144  -0.0297 78  ALA A N     
609  C CA    . ALA A 85  ? 0.6625 0.7130 0.5472 0.0597  0.0134  -0.0121 78  ALA A CA    
610  C C     . ALA A 85  ? 0.7076 0.7442 0.6086 0.0637  0.0155  -0.0133 78  ALA A C     
611  O O     . ALA A 85  ? 0.7039 0.7511 0.6142 0.0735  0.0122  -0.0046 78  ALA A O     
612  C CB    . ALA A 85  ? 0.6692 0.6978 0.5462 0.0632  0.0190  -0.0024 78  ALA A CB    
613  N N     . ALA A 86  ? 0.6302 0.6451 0.5340 0.0574  0.0214  -0.0235 79  ALA A N     
614  C CA    . ALA A 86  ? 0.6003 0.6040 0.5170 0.0604  0.0243  -0.0262 79  ALA A CA    
615  C C     . ALA A 86  ? 0.6565 0.6817 0.5832 0.0583  0.0210  -0.0315 79  ALA A C     
616  O O     . ALA A 86  ? 0.6610 0.6902 0.5990 0.0663  0.0201  -0.0272 79  ALA A O     
617  C CB    . ALA A 86  ? 0.5912 0.5741 0.5059 0.0549  0.0311  -0.0343 79  ALA A CB    
618  N N     . ALA A 87  ? 0.6142 0.6537 0.5378 0.0468  0.0200  -0.0417 80  ALA A N     
619  C CA    . ALA A 87  ? 0.6061 0.6679 0.5406 0.0405  0.0180  -0.0492 80  ALA A CA    
620  C C     . ALA A 87  ? 0.6539 0.7480 0.5951 0.0484  0.0095  -0.0412 80  ALA A C     
621  O O     . ALA A 87  ? 0.6359 0.7442 0.5912 0.0503  0.0087  -0.0416 80  ALA A O     
622  C CB    . ALA A 87  ? 0.6227 0.6904 0.5519 0.0246  0.0200  -0.0638 80  ALA A CB    
623  N N     . LEU A 88  ? 0.6491 0.7563 0.5804 0.0545  0.0038  -0.0321 81  LEU A N     
624  C CA    . LEU A 88  ? 0.6703 0.8104 0.6060 0.0657  -0.0041 -0.0203 81  LEU A CA    
625  C C     . LEU A 88  ? 0.7156 0.8417 0.6622 0.0823  -0.0015 -0.0071 81  LEU A C     
626  O O     . LEU A 88  ? 0.7189 0.8682 0.6782 0.0908  -0.0048 -0.0022 81  LEU A O     
627  C CB    . LEU A 88  ? 0.7030 0.8526 0.6224 0.0701  -0.0078 -0.0108 81  LEU A CB    
628  C CG    . LEU A 88  ? 0.8205 1.0203 0.7368 0.0715  -0.0177 -0.0083 81  LEU A CG    
629  C CD1   . LEU A 88  ? 0.8380 1.0647 0.7691 0.0878  -0.0226 0.0058  81  LEU A CD1   
630  C CD2   . LEU A 88  ? 0.8957 1.1189 0.8110 0.0512  -0.0206 -0.0310 81  LEU A CD2   
631  N N     . CYS A 89  ? 0.6813 0.7705 0.6235 0.0864  0.0050  -0.0030 82  CYS A N     
632  C CA    . CYS A 89  ? 0.7101 0.7784 0.6610 0.0996  0.0095  0.0056  82  CYS A CA    
633  C C     . CYS A 89  ? 0.6723 0.7392 0.6372 0.0994  0.0125  -0.0031 82  CYS A C     
634  O O     . CYS A 89  ? 0.6426 0.7116 0.6186 0.1123  0.0137  0.0033  82  CYS A O     
635  C CB    . CYS A 89  ? 0.7627 0.7950 0.7056 0.0989  0.0159  0.0077  82  CYS A CB    
636  S SG    . CYS A 89  ? 0.8607 0.8679 0.8116 0.1154  0.0220  0.0212  82  CYS A SG    
637  N N     . GLY A 90  ? 0.5908 0.6545 0.5547 0.0857  0.0147  -0.0166 83  GLY A N     
638  C CA    . GLY A 90  ? 0.5569 0.6224 0.5319 0.0829  0.0185  -0.0246 83  GLY A CA    
639  C C     . GLY A 90  ? 0.6049 0.7061 0.5931 0.0849  0.0141  -0.0237 83  GLY A C     
640  O O     . GLY A 90  ? 0.6200 0.7256 0.6203 0.0926  0.0168  -0.0228 83  GLY A O     
641  N N     . LEU A 91  ? 0.5483 0.6790 0.5346 0.0785  0.0072  -0.0245 84  LEU A N     
642  C CA    . LEU A 91  ? 0.5522 0.7262 0.5515 0.0792  0.0012  -0.0241 84  LEU A CA    
643  C C     . LEU A 91  ? 0.6175 0.8051 0.6246 0.1006  -0.0018 -0.0085 84  LEU A C     
644  O O     . LEU A 91  ? 0.6248 0.8391 0.6478 0.1063  -0.0027 -0.0072 84  LEU A O     
645  C CB    . LEU A 91  ? 0.5652 0.7696 0.5578 0.0675  -0.0063 -0.0298 84  LEU A CB    
646  C CG    . LEU A 91  ? 0.6415 0.8407 0.6312 0.0452  -0.0027 -0.0477 84  LEU A CG    
647  C CD1   . LEU A 91  ? 0.6631 0.8934 0.6449 0.0345  -0.0102 -0.0553 84  LEU A CD1   
648  C CD2   . LEU A 91  ? 0.6354 0.8422 0.6428 0.0358  0.0027  -0.0567 84  LEU A CD2   
649  N N     . VAL A 92  ? 0.5557 0.7252 0.5525 0.1126  -0.0019 0.0040  85  VAL A N     
650  C CA    . VAL A 92  ? 0.5541 0.7273 0.5573 0.1348  -0.0019 0.0211  85  VAL A CA    
651  C C     . VAL A 92  ? 0.5944 0.7444 0.6092 0.1437  0.0063  0.0192  85  VAL A C     
652  O O     . VAL A 92  ? 0.5961 0.7657 0.6247 0.1577  0.0064  0.0256  85  VAL A O     
653  C CB    . VAL A 92  ? 0.6041 0.7577 0.5931 0.1430  -0.0012 0.0351  85  VAL A CB    
654  C CG1   . VAL A 92  ? 0.6009 0.7411 0.5972 0.1661  0.0038  0.0529  85  VAL A CG1   
655  C CG2   . VAL A 92  ? 0.6032 0.7934 0.5820 0.1388  -0.0103 0.0392  85  VAL A CG2   
656  N N     . TYR A 93  ? 0.5643 0.6782 0.5735 0.1351  0.0128  0.0090  86  TYR A N     
657  C CA    . TYR A 93  ? 0.5544 0.6469 0.5709 0.1405  0.0206  0.0034  86  TYR A CA    
658  C C     . TYR A 93  ? 0.6086 0.7294 0.6388 0.1385  0.0207  -0.0030 86  TYR A C     
659  O O     . TYR A 93  ? 0.6168 0.7422 0.6587 0.1519  0.0246  -0.0008 86  TYR A O     
660  C CB    . TYR A 93  ? 0.5411 0.5980 0.5467 0.1296  0.0258  -0.0067 86  TYR A CB    
661  C CG    . TYR A 93  ? 0.5302 0.5732 0.5421 0.1339  0.0330  -0.0147 86  TYR A CG    
662  C CD1   . TYR A 93  ? 0.5543 0.5761 0.5700 0.1472  0.0384  -0.0128 86  TYR A CD1   
663  C CD2   . TYR A 93  ? 0.5130 0.5672 0.5282 0.1261  0.0351  -0.0238 86  TYR A CD2   
664  C CE1   . TYR A 93  ? 0.5114 0.5250 0.5322 0.1514  0.0449  -0.0225 86  TYR A CE1   
665  C CE2   . TYR A 93  ? 0.5115 0.5594 0.5313 0.1317  0.0416  -0.0303 86  TYR A CE2   
666  C CZ    . TYR A 93  ? 0.5484 0.5775 0.5703 0.1442  0.0459  -0.0307 86  TYR A CZ    
667  O OH    . TYR A 93  ? 0.5378 0.5629 0.5625 0.1488  0.0522  -0.0399 86  TYR A OH    
668  N N     . LEU A 94  ? 0.5456 0.6842 0.5751 0.1214  0.0179  -0.0114 87  LEU A N     
669  C CA    . LEU A 94  ? 0.5222 0.6879 0.5659 0.1159  0.0195  -0.0175 87  LEU A CA    
670  C C     . LEU A 94  ? 0.5826 0.7899 0.6417 0.1269  0.0145  -0.0099 87  LEU A C     
671  O O     . LEU A 94  ? 0.6047 0.8261 0.6778 0.1343  0.0186  -0.0100 87  LEU A O     
672  C CB    . LEU A 94  ? 0.4995 0.6714 0.5406 0.0937  0.0197  -0.0283 87  LEU A CB    
673  C CG    . LEU A 94  ? 0.5256 0.6612 0.5554 0.0848  0.0271  -0.0352 87  LEU A CG    
674  C CD1   . LEU A 94  ? 0.5202 0.6584 0.5476 0.0649  0.0286  -0.0442 87  LEU A CD1   
675  C CD2   . LEU A 94  ? 0.4597 0.5829 0.4942 0.0926  0.0353  -0.0360 87  LEU A CD2   
676  N N     . PHE A 95  ? 0.5288 0.7589 0.5852 0.1296  0.0060  -0.0025 88  PHE A N     
677  C CA    . PHE A 95  ? 0.5327 0.8091 0.6037 0.1419  0.0003  0.0066  88  PHE A CA    
678  C C     . PHE A 95  ? 0.5648 0.8297 0.6425 0.1685  0.0051  0.0199  88  PHE A C     
679  O O     . PHE A 95  ? 0.5511 0.8464 0.6458 0.1806  0.0056  0.0242  88  PHE A O     
680  C CB    . PHE A 95  ? 0.5722 0.8809 0.6364 0.1376  -0.0105 0.0107  88  PHE A CB    
681  C CG    . PHE A 95  ? 0.6273 0.9923 0.7056 0.1512  -0.0181 0.0213  88  PHE A CG    
682  C CD1   . PHE A 95  ? 0.6662 1.0666 0.7661 0.1530  -0.0173 0.0183  88  PHE A CD1   
683  C CD2   . PHE A 95  ? 0.6860 1.0727 0.7563 0.1632  -0.0258 0.0356  88  PHE A CD2   
684  C CE1   . PHE A 95  ? 0.6835 1.1397 0.7979 0.1681  -0.0242 0.0294  88  PHE A CE1   
685  C CE2   . PHE A 95  ? 0.7133 1.1562 0.7966 0.1789  -0.0329 0.0478  88  PHE A CE2   
686  C CZ    . PHE A 95  ? 0.6812 1.1593 0.7871 0.1813  -0.0324 0.0442  88  PHE A CZ    
687  N N     . ALA A 96  ? 0.5272 0.7468 0.5930 0.1767  0.0101  0.0249  89  ALA A N     
688  C CA    . ALA A 96  ? 0.5329 0.7314 0.6045 0.1998  0.0173  0.0347  89  ALA A CA    
689  C C     . ALA A 96  ? 0.5764 0.7653 0.6581 0.2026  0.0259  0.0243  89  ALA A C     
690  O O     . ALA A 96  ? 0.5986 0.7923 0.6924 0.2221  0.0309  0.0304  89  ALA A O     
691  C CB    . ALA A 96  ? 0.5538 0.7049 0.6111 0.2026  0.0217  0.0396  89  ALA A CB    
692  N N     . ARG A 97  ? 0.5404 0.7193 0.6174 0.1843  0.0280  0.0095  90  ARG A N     
693  C CA    . ARG A 97  ? 0.5317 0.7069 0.6159 0.1853  0.0360  -0.0002 90  ARG A CA    
694  C C     . ARG A 97  ? 0.5920 0.8142 0.6944 0.1872  0.0350  0.0005  90  ARG A C     
695  O O     . ARG A 97  ? 0.6177 0.8448 0.7304 0.1998  0.0420  -0.0008 90  ARG A O     
696  C CB    . ARG A 97  ? 0.5067 0.6581 0.5788 0.1672  0.0392  -0.0128 90  ARG A CB    
697  C CG    . ARG A 97  ? 0.5116 0.6187 0.5695 0.1684  0.0426  -0.0157 90  ARG A CG    
698  C CD    . ARG A 97  ? 0.6048 0.6958 0.6646 0.1764  0.0515  -0.0245 90  ARG A CD    
699  N NE    . ARG A 97  ? 0.7057 0.7665 0.7639 0.1892  0.0558  -0.0232 90  ARG A NE    
700  C CZ    . ARG A 97  ? 0.8490 0.8914 0.9086 0.1975  0.0642  -0.0326 90  ARG A CZ    
701  N NH1   . ARG A 97  ? 0.8433 0.8558 0.9034 0.2077  0.0693  -0.0320 90  ARG A NH1   
702  N NH2   . ARG A 97  ? 0.7091 0.7634 0.7698 0.1959  0.0684  -0.0429 90  ARG A NH2   
703  N N     . LEU A 98  ? 0.5233 0.7819 0.6304 0.1743  0.0270  0.0013  91  LEU A N     
704  C CA    . LEU A 98  ? 0.5066 0.8171 0.6337 0.1738  0.0249  0.0020  91  LEU A CA    
705  C C     . LEU A 98  ? 0.5670 0.8981 0.7068 0.2011  0.0248  0.0152  91  LEU A C     
706  O O     . LEU A 98  ? 0.5887 0.9398 0.7441 0.2116  0.0305  0.0151  91  LEU A O     
707  C CB    . LEU A 98  ? 0.4984 0.8434 0.6266 0.1560  0.0147  0.0000  91  LEU A CB    
708  C CG    . LEU A 98  ? 0.5393 0.9328 0.6859 0.1396  0.0133  -0.0076 91  LEU A CG    
709  C CD1   . LEU A 98  ? 0.5426 0.9830 0.6942 0.1338  0.0012  -0.0059 91  LEU A CD1   
710  C CD2   . LEU A 98  ? 0.4899 0.9079 0.6570 0.1503  0.0205  -0.0062 91  LEU A CD2   
711  N N     . ARG A 99  ? 0.5208 0.8452 0.6536 0.2140  0.0198  0.0276  92  ARG A N     
712  C CA    . ARG A 99  ? 0.5342 0.8737 0.6778 0.2428  0.0209  0.0439  92  ARG A CA    
713  C C     . ARG A 99  ? 0.5978 0.8995 0.7442 0.2615  0.0339  0.0431  92  ARG A C     
714  O O     . ARG A 99  ? 0.6141 0.9363 0.7763 0.2830  0.0383  0.0506  92  ARG A O     
715  C CB    . ARG A 99  ? 0.5199 0.8567 0.6530 0.2519  0.0144  0.0594  92  ARG A CB    
716  C CG    . ARG A 99  ? 0.5858 0.9718 0.7176 0.2377  0.0009  0.0604  92  ARG A CG    
717  C CD    . ARG A 99  ? 0.7786 1.1734 0.9014 0.2524  -0.0051 0.0795  92  ARG A CD    
718  N NE    . ARG A 99  ? 0.8278 1.1612 0.9350 0.2606  0.0025  0.0868  92  ARG A NE    
719  C CZ    . ARG A 99  ? 0.8825 1.1836 0.9704 0.2442  0.0013  0.0815  92  ARG A CZ    
720  N NH1   . ARG A 99  ? 0.5772 0.8979 0.6575 0.2197  -0.0070 0.0685  92  ARG A NH1   
721  N NH2   . ARG A 99  ? 0.7361 0.9848 0.8135 0.2519  0.0093  0.0884  92  ARG A NH2   
722  N N     . TYR A 100 ? 0.5550 0.8040 0.6864 0.2528  0.0401  0.0326  93  TYR A N     
723  C CA    . TYR A 100 ? 0.5552 0.7657 0.6863 0.2645  0.0525  0.0256  93  TYR A CA    
724  C C     . TYR A 100 ? 0.6018 0.8401 0.7467 0.2665  0.0578  0.0171  93  TYR A C     
725  O O     . TYR A 100 ? 0.6105 0.8501 0.7666 0.2876  0.0662  0.0188  93  TYR A O     
726  C CB    . TYR A 100 ? 0.5578 0.7201 0.6699 0.2476  0.0551  0.0127  93  TYR A CB    
727  C CG    . TYR A 100 ? 0.5632 0.6965 0.6737 0.2516  0.0663  -0.0016 93  TYR A CG    
728  C CD1   . TYR A 100 ? 0.6138 0.7150 0.7269 0.2701  0.0759  -0.0014 93  TYR A CD1   
729  C CD2   . TYR A 100 ? 0.5287 0.6678 0.6352 0.2373  0.0682  -0.0155 93  TYR A CD2   
730  C CE1   . TYR A 100 ? 0.6127 0.6907 0.7240 0.2727  0.0862  -0.0178 93  TYR A CE1   
731  C CE2   . TYR A 100 ? 0.5303 0.6491 0.6336 0.2416  0.0779  -0.0292 93  TYR A CE2   
732  C CZ    . TYR A 100 ? 0.6103 0.6993 0.7156 0.2584  0.0862  -0.0320 93  TYR A CZ    
733  O OH    . TYR A 100 ? 0.6803 0.7513 0.7820 0.2616  0.0957  -0.0487 93  TYR A OH    
734  N N     . PHE A 101 ? 0.5358 0.7964 0.6802 0.2448  0.0539  0.0086  94  PHE A N     
735  C CA    . PHE A 101 ? 0.5167 0.8043 0.6729 0.2422  0.0596  0.0013  94  PHE A CA    
736  C C     . PHE A 101 ? 0.5828 0.9203 0.7617 0.2588  0.0591  0.0109  94  PHE A C     
737  O O     . PHE A 101 ? 0.5997 0.9447 0.7892 0.2747  0.0682  0.0091  94  PHE A O     
738  C CB    . PHE A 101 ? 0.5092 0.8066 0.6608 0.2147  0.0567  -0.0068 94  PHE A CB    
739  C CG    . PHE A 101 ? 0.5209 0.8368 0.6813 0.2107  0.0654  -0.0138 94  PHE A CG    
740  C CD1   . PHE A 101 ? 0.5554 0.9227 0.7374 0.2106  0.0656  -0.0103 94  PHE A CD1   
741  C CD2   . PHE A 101 ? 0.5344 0.8204 0.6820 0.2074  0.0738  -0.0232 94  PHE A CD2   
742  C CE1   . PHE A 101 ? 0.5653 0.9502 0.7560 0.2071  0.0753  -0.0151 94  PHE A CE1   
743  C CE2   . PHE A 101 ? 0.5725 0.8778 0.7269 0.2055  0.0829  -0.0275 94  PHE A CE2   
744  C CZ    . PHE A 101 ? 0.5435 0.8965 0.7195 0.2054  0.0843  -0.0229 94  PHE A CZ    
745  N N     . GLN A 102 ? 0.5244 0.8983 0.7106 0.2563  0.0483  0.0208  95  GLN A N     
746  C CA    . GLN A 102 ? 0.4947 0.9256 0.7033 0.2714  0.0452  0.0315  95  GLN A CA    
747  C C     . GLN A 102 ? 0.5978 1.0184 0.8125 0.3053  0.0514  0.0440  95  GLN A C     
748  O O     . GLN A 102 ? 0.6294 1.0859 0.8638 0.3232  0.0561  0.0487  95  GLN A O     
749  C CB    . GLN A 102 ? 0.4872 0.9591 0.6984 0.2590  0.0312  0.0373  95  GLN A CB    
750  C CG    . GLN A 102 ? 0.5673 1.0576 0.7797 0.2263  0.0277  0.0236  95  GLN A CG    
751  C CD    . GLN A 102 ? 0.8061 1.3307 1.0178 0.2096  0.0145  0.0238  95  GLN A CD    
752  O OE1   . GLN A 102 ? 0.7696 1.3250 0.9906 0.1854  0.0120  0.0132  95  GLN A OE1   
753  N NE2   . GLN A 102 ? 0.6602 1.1792 0.8606 0.2207  0.0068  0.0347  95  GLN A NE2   
754  N N     . GLY A 103 ? 0.5598 0.9313 0.7589 0.3139  0.0529  0.0493  96  GLY A N     
755  C CA    . GLY A 103 ? 0.5907 0.9372 0.7936 0.3448  0.0618  0.0607  96  GLY A CA    
756  C C     . GLY A 103 ? 0.6620 0.9834 0.8692 0.3558  0.0766  0.0486  96  GLY A C     
757  O O     . GLY A 103 ? 0.6743 1.0161 0.8983 0.3802  0.0838  0.0548  96  GLY A O     
758  N N     . TYR A 104 ? 0.6407 0.9219 0.8324 0.3380  0.0810  0.0305  97  TYR A N     
759  C CA    . TYR A 104 ? 0.6475 0.9043 0.8380 0.3433  0.0941  0.0146  97  TYR A CA    
760  C C     . TYR A 104 ? 0.6985 1.0036 0.9062 0.3488  0.0982  0.0116  97  TYR A C     
761  O O     . TYR A 104 ? 0.7255 1.0239 0.9402 0.3682  0.1102  0.0066  97  TYR A O     
762  C CB    . TYR A 104 ? 0.6463 0.8675 0.8163 0.3187  0.0939  -0.0025 97  TYR A CB    
763  C CG    . TYR A 104 ? 0.6769 0.8551 0.8382 0.3244  0.1063  -0.0193 97  TYR A CG    
764  C CD1   . TYR A 104 ? 0.7231 0.8971 0.8954 0.3488  0.1187  -0.0223 97  TYR A CD1   
765  C CD2   . TYR A 104 ? 0.6705 0.8171 0.8131 0.3051  0.1059  -0.0339 97  TYR A CD2   
766  C CE1   . TYR A 104 ? 0.7597 0.8963 0.9237 0.3523  0.1304  -0.0415 97  TYR A CE1   
767  C CE2   . TYR A 104 ? 0.6981 0.8119 0.8328 0.3086  0.1164  -0.0519 97  TYR A CE2   
768  C CZ    . TYR A 104 ? 0.8116 0.9194 0.9566 0.3314  0.1286  -0.0568 97  TYR A CZ    
769  O OH    . TYR A 104 ? 0.8329 0.9093 0.9697 0.3334  0.1392  -0.0778 97  TYR A OH    
770  N N     . ALA A 105 ? 0.6247 0.9783 0.8401 0.3316  0.0894  0.0141  98  ALA A N     
771  C CA    . ALA A 105 ? 0.6083 1.0133 0.8428 0.3340  0.0934  0.0127  98  ALA A CA    
772  C C     . ALA A 105 ? 0.7183 1.1531 0.9738 0.3659  0.0980  0.0252  98  ALA A C     
773  O O     . ALA A 105 ? 0.7427 1.1948 1.0101 0.3795  0.1086  0.0207  98  ALA A O     
774  C CB    . ALA A 105 ? 0.5860 1.0359 0.8276 0.3089  0.0828  0.0147  98  ALA A CB    
775  N N     . ARG A 106 ? 0.6792 1.1191 0.9386 0.3798  0.0911  0.0417  99  ARG A N     
776  C CA    . ARG A 106 ? 0.6853 1.1533 0.9643 0.4132  0.0950  0.0579  99  ARG A CA    
777  C C     . ARG A 106 ? 0.7384 1.1503 1.0129 0.4402  0.1106  0.0566  99  ARG A C     
778  O O     . ARG A 106 ? 0.7485 1.1756 1.0392 0.4663  0.1216  0.0593  99  ARG A O     
779  C CB    . ARG A 106 ? 0.7101 1.2055 0.9924 0.4185  0.0819  0.0780  99  ARG A CB    
780  C CG    . ARG A 106 ? 0.8381 1.3914 1.1258 0.3925  0.0660  0.0781  99  ARG A CG    
781  C CD    . ARG A 106 ? 0.9808 1.5569 1.2667 0.3987  0.0532  0.0963  99  ARG A CD    
782  N NE    . ARG A 106 ? 1.2229 1.8427 1.5290 0.4335  0.0545  0.1168  99  ARG A NE    
783  C CZ    . ARG A 106 ? 1.4413 2.0782 1.7468 0.4516  0.0475  0.1382  99  ARG A CZ    
784  N NH1   . ARG A 106 ? 1.2790 1.8928 1.5641 0.4372  0.0385  0.1412  99  ARG A NH1   
785  N NH2   . ARG A 106 ? 1.3130 1.9922 1.6382 0.4857  0.0500  0.1581  99  ARG A NH2   
786  N N     . SER A 107 ? 0.6769 1.0249 0.9311 0.4341  0.1122  0.0524  100 SER A N     
787  C CA    . SER A 107 ? 0.6878 0.9767 0.9377 0.4551  0.1277  0.0488  100 SER A CA    
788  C C     . SER A 107 ? 0.7241 0.9496 0.9509 0.4358  0.1279  0.0370  100 SER A C     
789  O O     . SER A 107 ? 0.7152 0.9408 0.9306 0.4152  0.1153  0.0415  100 SER A O     
790  C CB    . SER A 107 ? 0.7343 1.0264 0.9978 0.4886  0.1320  0.0732  100 SER A CB    
791  O OG    . SER A 107 ? 0.7984 1.0392 1.0496 0.4911  0.1330  0.0828  100 SER A OG    
792  N N     . ALA A 108 ? 0.6898 0.8629 0.9106 0.4425  0.1426  0.0210  101 ALA A N     
793  C CA    . ALA A 108 ? 0.7147 0.8275 0.9163 0.4258  0.1449  0.0077  101 ALA A CA    
794  C C     . ALA A 108 ? 0.7990 0.8798 0.9978 0.4324  0.1437  0.0267  101 ALA A C     
795  O O     . ALA A 108 ? 0.7886 0.8390 0.9718 0.4119  0.1386  0.0224  101 ALA A O     
796  C CB    . ALA A 108 ? 0.7573 0.8287 0.9567 0.4334  0.1619  -0.0152 101 ALA A CB    
797  N N     . GLN A 109 ? 0.7866 0.8773 1.0005 0.4619  0.1487  0.0494  102 GLN A N     
798  C CA    . GLN A 109 ? 0.8046 0.8698 1.0163 0.4716  0.1487  0.0721  102 GLN A CA    
799  C C     . GLN A 109 ? 0.8107 0.9184 1.0153 0.4557  0.1288  0.0877  102 GLN A C     
800  O O     . GLN A 109 ? 0.8150 0.8950 1.0066 0.4447  0.1249  0.0948  102 GLN A O     
801  C CB    . GLN A 109 ? 0.8595 0.9236 1.0897 0.5115  0.1619  0.0936  102 GLN A CB    
802  C CG    . GLN A 109 ? 0.8806 0.8794 1.1079 0.5241  0.1756  0.1057  102 GLN A CG    
803  C CD    . GLN A 109 ? 1.1795 1.1922 1.4014 0.5259  0.1651  0.1351  102 GLN A CD    
804  O OE1   . GLN A 109 ? 1.1341 1.2114 1.3603 0.5306  0.1503  0.1527  102 GLN A OE1   
805  N NE2   . GLN A 109 ? 1.0969 1.0506 1.3103 0.5236  0.1739  0.1415  102 GLN A NE2   
806  N N     . LEU A 110 ? 0.7211 0.8966 0.9347 0.4528  0.1169  0.0909  103 LEU A N     
807  C CA    . LEU A 110 ? 0.6830 0.9063 0.8924 0.4370  0.0984  0.1018  103 LEU A CA    
808  C C     . LEU A 110 ? 0.7400 0.9458 0.9295 0.4009  0.0891  0.0855  103 LEU A C     
809  O O     . LEU A 110 ? 0.7507 0.9793 0.9327 0.3878  0.0760  0.0941  103 LEU A O     
810  C CB    . LEU A 110 ? 0.6459 0.9464 0.8730 0.4412  0.0899  0.1061  103 LEU A CB    
811  C CG    . LEU A 110 ? 0.6808 1.0200 0.9278 0.4769  0.0927  0.1304  103 LEU A CG    
812  C CD1   . LEU A 110 ? 0.6596 1.0755 0.9259 0.4771  0.0855  0.1295  103 LEU A CD1   
813  C CD2   . LEU A 110 ? 0.6407 0.9880 0.8824 0.4874  0.0854  0.1561  103 LEU A CD2   
814  N N     . ARG A 111 ? 0.6773 0.8432 0.8579 0.3864  0.0964  0.0625  104 ARG A N     
815  C CA    . ARG A 111 ? 0.6363 0.7820 0.7985 0.3551  0.0899  0.0468  104 ARG A CA    
816  C C     . ARG A 111 ? 0.7193 0.8164 0.8673 0.3499  0.0910  0.0518  104 ARG A C     
817  O O     . ARG A 111 ? 0.7138 0.8045 0.8473 0.3261  0.0826  0.0459  104 ARG A O     
818  C CB    . ARG A 111 ? 0.5994 0.7257 0.7577 0.3454  0.0981  0.0220  104 ARG A CB    
819  C CG    . ARG A 111 ? 0.6698 0.7333 0.8173 0.3436  0.1090  0.0081  104 ARG A CG    
820  C CD    . ARG A 111 ? 0.6153 0.6696 0.7624 0.3427  0.1188  -0.0151 104 ARG A CD    
821  N NE    . ARG A 111 ? 0.7260 0.7270 0.8618 0.3351  0.1270  -0.0325 104 ARG A NE    
822  C CZ    . ARG A 111 ? 0.8802 0.8394 1.0211 0.3506  0.1409  -0.0364 104 ARG A CZ    
823  N NH1   . ARG A 111 ? 0.7110 0.6261 0.8425 0.3391  0.1476  -0.0554 104 ARG A NH1   
824  N NH2   . ARG A 111 ? 0.7497 0.7114 0.9061 0.3775  0.1488  -0.0217 104 ARG A NH2   
825  N N     . LEU A 112 ? 0.7074 0.7678 0.8602 0.3718  0.1030  0.0620  105 LEU A N     
826  C CA    . LEU A 112 ? 0.7246 0.7304 0.8668 0.3680  0.1090  0.0653  105 LEU A CA    
827  C C     . LEU A 112 ? 0.7620 0.7784 0.8940 0.3601  0.0980  0.0835  105 LEU A C     
828  O O     . LEU A 112 ? 0.7663 0.7552 0.8839 0.3388  0.0956  0.0752  105 LEU A O     
829  C CB    . LEU A 112 ? 0.7705 0.7342 0.9234 0.3945  0.1271  0.0730  105 LEU A CB    
830  C CG    . LEU A 112 ? 0.8222 0.7579 0.9810 0.3984  0.1412  0.0486  105 LEU A CG    
831  C CD1   . LEU A 112 ? 0.8539 0.7613 1.0280 0.4308  0.1593  0.0598  105 LEU A CD1   
832  C CD2   . LEU A 112 ? 0.8048 0.6971 0.9495 0.3718  0.1440  0.0225  105 LEU A CD2   
833  N N     . ALA A 113 ? 0.6991 0.7589 0.8378 0.3765  0.0910  0.1072  106 ALA A N     
834  C CA    . ALA A 113 ? 0.6793 0.7562 0.8068 0.3700  0.0801  0.1243  106 ALA A CA    
835  C C     . ALA A 113 ? 0.6962 0.7905 0.8096 0.3367  0.0664  0.1070  106 ALA A C     
836  O O     . ALA A 113 ? 0.6898 0.7529 0.7885 0.3210  0.0659  0.1041  106 ALA A O     
837  C CB    . ALA A 113 ? 0.6862 0.8176 0.8235 0.3934  0.0737  0.1502  106 ALA A CB    
838  N N     . PRO A 114 ? 0.6170 0.7533 0.7354 0.3246  0.0580  0.0934  107 PRO A N     
839  C CA    . PRO A 114 ? 0.5821 0.7248 0.6874 0.2941  0.0485  0.0776  107 PRO A CA    
840  C C     . PRO A 114 ? 0.6675 0.7604 0.7624 0.2774  0.0553  0.0579  107 PRO A C     
841  O O     . PRO A 114 ? 0.6606 0.7466 0.7420 0.2561  0.0496  0.0502  107 PRO A O     
842  C CB    . PRO A 114 ? 0.5774 0.7744 0.6940 0.2878  0.0412  0.0704  107 PRO A CB    
843  C CG    . PRO A 114 ? 0.6247 0.8346 0.7598 0.3129  0.0492  0.0758  107 PRO A CG    
844  C CD    . PRO A 114 ? 0.6064 0.7878 0.7432 0.3381  0.0575  0.0940  107 PRO A CD    
845  N N     . LEU A 115 ? 0.6532 0.7130 0.7540 0.2876  0.0678  0.0494  108 LEU A N     
846  C CA    . LEU A 115 ? 0.6405 0.6570 0.7319 0.2733  0.0744  0.0299  108 LEU A CA    
847  C C     . LEU A 115 ? 0.7162 0.6934 0.7966 0.2673  0.0766  0.0358  108 LEU A C     
848  O O     . LEU A 115 ? 0.6997 0.6617 0.7682 0.2470  0.0739  0.0240  108 LEU A O     
849  C CB    . LEU A 115 ? 0.6536 0.6473 0.7544 0.2870  0.0878  0.0182  108 LEU A CB    
850  C CG    . LEU A 115 ? 0.6829 0.6337 0.7756 0.2748  0.0957  -0.0034 108 LEU A CG    
851  C CD1   . LEU A 115 ? 0.6419 0.6060 0.7224 0.2510  0.0878  -0.0182 108 LEU A CD1   
852  C CD2   . LEU A 115 ? 0.6618 0.5989 0.7638 0.2889  0.1082  -0.0161 108 LEU A CD2   
853  N N     . TYR A 116 ? 0.7197 0.6821 0.8048 0.2857  0.0823  0.0556  109 TYR A N     
854  C CA    . TYR A 116 ? 0.7425 0.6689 0.8188 0.2815  0.0862  0.0650  109 TYR A CA    
855  C C     . TYR A 116 ? 0.7522 0.7050 0.8150 0.2665  0.0728  0.0725  109 TYR A C     
856  O O     . TYR A 116 ? 0.7598 0.6882 0.8114 0.2515  0.0732  0.0696  109 TYR A O     
857  C CB    . TYR A 116 ? 0.8117 0.7160 0.8971 0.3074  0.0977  0.0880  109 TYR A CB    
858  C CG    . TYR A 116 ? 0.8868 0.7622 0.9869 0.3257  0.1133  0.0823  109 TYR A CG    
859  C CD1   . TYR A 116 ? 0.9099 0.7542 1.0107 0.3141  0.1210  0.0549  109 TYR A CD1   
860  C CD2   . TYR A 116 ? 0.9615 0.8402 1.0744 0.3557  0.1212  0.1042  109 TYR A CD2   
861  C CE1   . TYR A 116 ? 0.9464 0.7643 1.0599 0.3303  0.1361  0.0465  109 TYR A CE1   
862  C CE2   . TYR A 116 ? 1.0160 0.8649 1.1428 0.3738  0.1374  0.0981  109 TYR A CE2   
863  C CZ    . TYR A 116 ? 1.1764 0.9941 1.3032 0.3602  0.1449  0.0677  109 TYR A CZ    
864  O OH    . TYR A 116 ? 1.3147 1.1031 1.4545 0.3774  0.1616  0.0585  109 TYR A OH    
865  N N     . ALA A 117 ? 0.6695 0.6742 0.7342 0.2697  0.0614  0.0805  110 ALA A N     
866  C CA    . ALA A 117 ? 0.6382 0.6734 0.6907 0.2553  0.0486  0.0844  110 ALA A CA    
867  C C     . ALA A 117 ? 0.6950 0.7226 0.7375 0.2288  0.0446  0.0624  110 ALA A C     
868  O O     . ALA A 117 ? 0.6980 0.7181 0.7271 0.2150  0.0410  0.0623  110 ALA A O     
869  C CB    . ALA A 117 ? 0.6305 0.7253 0.6903 0.2630  0.0382  0.0929  110 ALA A CB    
870  N N     . SER A 118 ? 0.6371 0.6660 0.6859 0.2235  0.0467  0.0449  111 SER A N     
871  C CA    . SER A 118 ? 0.5974 0.6200 0.6383 0.2022  0.0448  0.0258  111 SER A CA    
872  C C     . SER A 118 ? 0.6778 0.6550 0.7107 0.1944  0.0521  0.0170  111 SER A C     
873  O O     . SER A 118 ? 0.6774 0.6484 0.6994 0.1772  0.0491  0.0083  111 SER A O     
874  C CB    . SER A 118 ? 0.5796 0.6220 0.6299 0.2019  0.0459  0.0139  111 SER A CB    
875  O OG    . SER A 118 ? 0.7000 0.7160 0.7550 0.2097  0.0559  0.0045  111 SER A OG    
876  N N     . ALA A 119 ? 0.6581 0.6043 0.6975 0.2071  0.0622  0.0187  112 ALA A N     
877  C CA    . ALA A 119 ? 0.6634 0.5670 0.6990 0.1999  0.0706  0.0096  112 ALA A CA    
878  C C     . ALA A 119 ? 0.7418 0.6337 0.7677 0.1927  0.0687  0.0218  112 ALA A C     
879  O O     . ALA A 119 ? 0.7452 0.6215 0.7629 0.1766  0.0689  0.0122  112 ALA A O     
880  C CB    . ALA A 119 ? 0.6993 0.5736 0.7467 0.2162  0.0833  0.0098  112 ALA A CB    
881  N N     . ARG A 120 ? 0.7082 0.6130 0.7348 0.2052  0.0665  0.0436  113 ARG A N     
882  C CA    . ARG A 120 ? 0.7151 0.6166 0.7313 0.2011  0.0644  0.0584  113 ARG A CA    
883  C C     . ARG A 120 ? 0.7267 0.6511 0.7297 0.1819  0.0537  0.0500  113 ARG A C     
884  O O     . ARG A 120 ? 0.7393 0.6473 0.7331 0.1697  0.0550  0.0482  113 ARG A O     
885  C CB    . ARG A 120 ? 0.7306 0.6524 0.7494 0.2211  0.0630  0.0842  113 ARG A CB    
886  C CG    . ARG A 120 ? 0.7848 0.6697 0.8111 0.2379  0.0770  0.1004  113 ARG A CG    
887  C CD    . ARG A 120 ? 0.8798 0.7886 0.9074 0.2602  0.0758  0.1295  113 ARG A CD    
888  N NE    . ARG A 120 ? 1.0417 0.9489 1.0853 0.2834  0.0829  0.1360  113 ARG A NE    
889  C CZ    . ARG A 120 ? 1.1365 1.0894 1.1870 0.2966  0.0748  0.1411  113 ARG A CZ    
890  N NH1   . ARG A 120 ? 0.9672 0.9161 1.0332 0.3187  0.0831  0.1467  113 ARG A NH1   
891  N NH2   . ARG A 120 ? 0.8600 0.8637 0.9027 0.2876  0.0592  0.1402  113 ARG A NH2   
892  N N     . ALA A 121 ? 0.6474 0.6082 0.6510 0.1789  0.0448  0.0440  114 ALA A N     
893  C CA    . ALA A 121 ? 0.6035 0.5852 0.5968 0.1616  0.0363  0.0347  114 ALA A CA    
894  C C     . ALA A 121 ? 0.6585 0.6186 0.6472 0.1461  0.0395  0.0167  114 ALA A C     
895  O O     . ALA A 121 ? 0.6723 0.6309 0.6501 0.1333  0.0370  0.0134  114 ALA A O     
896  C CB    . ALA A 121 ? 0.5879 0.6101 0.5873 0.1622  0.0289  0.0320  114 ALA A CB    
897  N N     . LEU A 122 ? 0.6085 0.5541 0.6050 0.1485  0.0452  0.0055  115 LEU A N     
898  C CA    . LEU A 122 ? 0.5918 0.5227 0.5841 0.1364  0.0480  -0.0107 115 LEU A CA    
899  C C     . LEU A 122 ? 0.6586 0.5600 0.6465 0.1302  0.0531  -0.0117 115 LEU A C     
900  O O     . LEU A 122 ? 0.6468 0.5457 0.6272 0.1177  0.0522  -0.0201 115 LEU A O     
901  C CB    . LEU A 122 ? 0.5940 0.5246 0.5946 0.1414  0.0523  -0.0228 115 LEU A CB    
902  C CG    . LEU A 122 ? 0.6290 0.5603 0.6243 0.1303  0.0530  -0.0385 115 LEU A CG    
903  C CD1   . LEU A 122 ? 0.6013 0.5529 0.5895 0.1204  0.0475  -0.0378 115 LEU A CD1   
904  C CD2   . LEU A 122 ? 0.5921 0.5265 0.5943 0.1373  0.0578  -0.0494 115 LEU A CD2   
905  N N     . TRP A 123 ? 0.6349 0.5145 0.6286 0.1393  0.0596  -0.0024 116 TRP A N     
906  C CA    . TRP A 123 ? 0.6431 0.4937 0.6354 0.1328  0.0664  -0.0015 116 TRP A CA    
907  C C     . TRP A 123 ? 0.7125 0.5716 0.6931 0.1254  0.0619  0.0094  116 TRP A C     
908  O O     . TRP A 123 ? 0.7190 0.5668 0.6952 0.1134  0.0642  0.0044  116 TRP A O     
909  C CB    . TRP A 123 ? 0.6537 0.4762 0.6564 0.1453  0.0768  0.0083  116 TRP A CB    
910  C CG    . TRP A 123 ? 0.6678 0.4686 0.6812 0.1467  0.0853  -0.0086 116 TRP A CG    
911  C CD1   . TRP A 123 ? 0.7169 0.5089 0.7411 0.1623  0.0916  -0.0077 116 TRP A CD1   
912  C CD2   . TRP A 123 ? 0.6605 0.4490 0.6744 0.1322  0.0886  -0.0304 116 TRP A CD2   
913  N NE1   . TRP A 123 ? 0.7199 0.4922 0.7506 0.1577  0.0992  -0.0292 116 TRP A NE1   
914  C CE2   . TRP A 123 ? 0.7253 0.4978 0.7497 0.1388  0.0967  -0.0438 116 TRP A CE2   
915  C CE3   . TRP A 123 ? 0.6604 0.4529 0.6672 0.1149  0.0856  -0.0402 116 TRP A CE3   
916  C CZ2   . TRP A 123 ? 0.7161 0.4789 0.7430 0.1274  0.1010  -0.0681 116 TRP A CZ2   
917  C CZ3   . TRP A 123 ? 0.6766 0.4622 0.6871 0.1047  0.0893  -0.0624 116 TRP A CZ3   
918  C CH2   . TRP A 123 ? 0.7024 0.4741 0.7225 0.1102  0.0966  -0.0768 116 TRP A CH2   
919  N N     . LEU A 124 ? 0.6781 0.5616 0.6540 0.1321  0.0552  0.0227  117 LEU A N     
920  C CA    . LEU A 124 ? 0.7005 0.5984 0.6638 0.1260  0.0502  0.0312  117 LEU A CA    
921  C C     . LEU A 124 ? 0.7407 0.6476 0.6959 0.1106  0.0460  0.0161  117 LEU A C     
922  O O     . LEU A 124 ? 0.7747 0.6759 0.7215 0.1019  0.0473  0.0166  117 LEU A O     
923  C CB    . LEU A 124 ? 0.7273 0.6562 0.6879 0.1361  0.0431  0.0449  117 LEU A CB    
924  C CG    . LEU A 124 ? 0.8344 0.7809 0.7804 0.1315  0.0383  0.0542  117 LEU A CG    
925  C CD1   . LEU A 124 ? 0.8682 0.7893 0.8096 0.1309  0.0466  0.0659  117 LEU A CD1   
926  C CD2   . LEU A 124 ? 0.8919 0.8746 0.8363 0.1428  0.0309  0.0673  117 LEU A CD2   
927  N N     . LEU A 125 ? 0.6467 0.5664 0.6050 0.1084  0.0426  0.0037  118 LEU A N     
928  C CA    . LEU A 125 ? 0.6147 0.5398 0.5671 0.0966  0.0410  -0.0092 118 LEU A CA    
929  C C     . LEU A 125 ? 0.6618 0.5668 0.6147 0.0901  0.0465  -0.0181 118 LEU A C     
930  O O     . LEU A 125 ? 0.6716 0.5780 0.6171 0.0814  0.0464  -0.0223 118 LEU A O     
931  C CB    . LEU A 125 ? 0.6040 0.5447 0.5621 0.0977  0.0388  -0.0175 118 LEU A CB    
932  C CG    . LEU A 125 ? 0.6433 0.6098 0.5992 0.0948  0.0330  -0.0164 118 LEU A CG    
933  C CD1   . LEU A 125 ? 0.6386 0.6166 0.6026 0.0950  0.0337  -0.0243 118 LEU A CD1   
934  C CD2   . LEU A 125 ? 0.5935 0.5628 0.5374 0.0833  0.0316  -0.0195 118 LEU A CD2   
935  N N     . VAL A 126 ? 0.6140 0.5025 0.5763 0.0943  0.0517  -0.0225 119 VAL A N     
936  C CA    . VAL A 126 ? 0.6024 0.4754 0.5671 0.0868  0.0569  -0.0331 119 VAL A CA    
937  C C     . VAL A 126 ? 0.7197 0.5816 0.6803 0.0800  0.0598  -0.0250 119 VAL A C     
938  O O     . VAL A 126 ? 0.7341 0.5981 0.6912 0.0704  0.0605  -0.0314 119 VAL A O     
939  C CB    . VAL A 126 ? 0.6305 0.4878 0.6066 0.0917  0.0628  -0.0416 119 VAL A CB    
940  C CG1   . VAL A 126 ? 0.6404 0.4823 0.6205 0.0816  0.0685  -0.0531 119 VAL A CG1   
941  C CG2   . VAL A 126 ? 0.5979 0.4701 0.5763 0.0968  0.0606  -0.0517 119 VAL A CG2   
942  N N     . ALA A 127 ? 0.6946 0.5483 0.6553 0.0863  0.0618  -0.0092 120 ALA A N     
943  C CA    . ALA A 127 ? 0.6919 0.5366 0.6483 0.0819  0.0657  0.0023  120 ALA A CA    
944  C C     . ALA A 127 ? 0.7184 0.5823 0.6615 0.0750  0.0605  0.0031  120 ALA A C     
945  O O     . ALA A 127 ? 0.7311 0.5905 0.6716 0.0663  0.0641  0.0022  120 ALA A O     
946  C CB    . ALA A 127 ? 0.7144 0.5515 0.6722 0.0939  0.0687  0.0221  120 ALA A CB    
947  N N     . LEU A 128 ? 0.6472 0.5323 0.5829 0.0782  0.0531  0.0034  121 LEU A N     
948  C CA    . LEU A 128 ? 0.6158 0.5172 0.5391 0.0717  0.0493  0.0013  121 LEU A CA    
949  C C     . LEU A 128 ? 0.6612 0.5620 0.5844 0.0635  0.0508  -0.0125 121 LEU A C     
950  O O     . LEU A 128 ? 0.6759 0.5799 0.5915 0.0576  0.0523  -0.0132 121 LEU A O     
951  C CB    . LEU A 128 ? 0.6006 0.5239 0.5193 0.0751  0.0421  0.0017  121 LEU A CB    
952  C CG    . LEU A 128 ? 0.6473 0.5832 0.5645 0.0845  0.0386  0.0162  121 LEU A CG    
953  C CD1   . LEU A 128 ? 0.6167 0.5803 0.5290 0.0831  0.0311  0.0120  121 LEU A CD1   
954  C CD2   . LEU A 128 ? 0.6605 0.5924 0.5697 0.0862  0.0420  0.0311  121 LEU A CD2   
955  N N     . ALA A 129 ? 0.6102 0.5091 0.5412 0.0646  0.0509  -0.0227 122 ALA A N     
956  C CA    . ALA A 129 ? 0.5939 0.4960 0.5257 0.0598  0.0524  -0.0341 122 ALA A CA    
957  C C     . ALA A 129 ? 0.6567 0.5507 0.5918 0.0532  0.0571  -0.0362 122 ALA A C     
958  O O     . ALA A 129 ? 0.6714 0.5730 0.6023 0.0486  0.0583  -0.0393 122 ALA A O     
959  C CB    . ALA A 129 ? 0.5941 0.4982 0.5334 0.0640  0.0519  -0.0427 122 ALA A CB    
960  N N     . ALA A 130 ? 0.6163 0.4951 0.5601 0.0529  0.0609  -0.0345 123 ALA A N     
961  C CA    . ALA A 130 ? 0.6299 0.4992 0.5806 0.0444  0.0669  -0.0375 123 ALA A CA    
962  C C     . ALA A 130 ? 0.6804 0.5513 0.6241 0.0399  0.0693  -0.0268 123 ALA A C     
963  O O     . ALA A 130 ? 0.6794 0.5581 0.6239 0.0324  0.0716  -0.0317 123 ALA A O     
964  C CB    . ALA A 130 ? 0.6587 0.5055 0.6210 0.0455  0.0725  -0.0368 123 ALA A CB    
965  N N     . LEU A 131 ? 0.6489 0.5175 0.5850 0.0455  0.0684  -0.0123 124 LEU A N     
966  C CA    . LEU A 131 ? 0.6530 0.5269 0.5792 0.0433  0.0703  -0.0012 124 LEU A CA    
967  C C     . LEU A 131 ? 0.7042 0.5957 0.6206 0.0403  0.0675  -0.0080 124 LEU A C     
968  O O     . LEU A 131 ? 0.7119 0.6080 0.6251 0.0350  0.0716  -0.0061 124 LEU A O     
969  C CB    . LEU A 131 ? 0.6629 0.5388 0.5808 0.0521  0.0679  0.0142  124 LEU A CB    
970  C CG    . LEU A 131 ? 0.7434 0.6012 0.6678 0.0570  0.0742  0.0293  124 LEU A CG    
971  C CD1   . LEU A 131 ? 0.7467 0.6154 0.6624 0.0688  0.0697  0.0444  124 LEU A CD1   
972  C CD2   . LEU A 131 ? 0.7495 0.5967 0.6761 0.0491  0.0838  0.0370  124 LEU A CD2   
973  N N     . GLY A 132 ? 0.6373 0.5377 0.5499 0.0442  0.0620  -0.0151 125 GLY A N     
974  C CA    . GLY A 132 ? 0.6196 0.5319 0.5242 0.0428  0.0613  -0.0216 125 GLY A CA    
975  C C     . GLY A 132 ? 0.6547 0.5711 0.5652 0.0390  0.0648  -0.0293 125 GLY A C     
976  O O     . GLY A 132 ? 0.6547 0.5786 0.5602 0.0368  0.0681  -0.0294 125 GLY A O     
977  N N     . LEU A 133 ? 0.6080 0.5223 0.5292 0.0386  0.0644  -0.0362 126 LEU A N     
978  C CA    . LEU A 133 ? 0.5888 0.5134 0.5170 0.0350  0.0666  -0.0446 126 LEU A CA    
979  C C     . LEU A 133 ? 0.6791 0.6043 0.6123 0.0267  0.0717  -0.0421 126 LEU A C     
980  O O     . LEU A 133 ? 0.6961 0.6363 0.6291 0.0248  0.0740  -0.0443 126 LEU A O     
981  C CB    . LEU A 133 ? 0.5671 0.4924 0.5048 0.0358  0.0647  -0.0544 126 LEU A CB    
982  C CG    . LEU A 133 ? 0.5827 0.5147 0.5163 0.0438  0.0613  -0.0575 126 LEU A CG    
983  C CD1   . LEU A 133 ? 0.5825 0.5142 0.5243 0.0452  0.0598  -0.0665 126 LEU A CD1   
984  C CD2   . LEU A 133 ? 0.5234 0.4718 0.4521 0.0473  0.0627  -0.0587 126 LEU A CD2   
985  N N     . LEU A 134 ? 0.6451 0.5545 0.5829 0.0227  0.0747  -0.0357 127 LEU A N     
986  C CA    . LEU A 134 ? 0.6480 0.5554 0.5911 0.0139  0.0815  -0.0308 127 LEU A CA    
987  C C     . LEU A 134 ? 0.7062 0.6242 0.6372 0.0150  0.0835  -0.0223 127 LEU A C     
988  O O     . LEU A 134 ? 0.7225 0.6522 0.6577 0.0089  0.0882  -0.0234 127 LEU A O     
989  C CB    . LEU A 134 ? 0.6611 0.5452 0.6102 0.0117  0.0863  -0.0217 127 LEU A CB    
990  C CG    . LEU A 134 ? 0.7235 0.5929 0.6878 0.0076  0.0885  -0.0314 127 LEU A CG    
991  C CD1   . LEU A 134 ? 0.7520 0.5942 0.7206 0.0093  0.0951  -0.0185 127 LEU A CD1   
992  C CD2   . LEU A 134 ? 0.7200 0.5993 0.6983 -0.0056 0.0925  -0.0453 127 LEU A CD2   
993  N N     . ALA A 135 ? 0.6513 0.5681 0.5678 0.0225  0.0801  -0.0156 128 ALA A N     
994  C CA    . ALA A 135 ? 0.6476 0.5744 0.5501 0.0241  0.0819  -0.0103 128 ALA A CA    
995  C C     . ALA A 135 ? 0.7444 0.6863 0.6452 0.0253  0.0832  -0.0191 128 ALA A C     
996  O O     . ALA A 135 ? 0.7392 0.6899 0.6320 0.0255  0.0874  -0.0167 128 ALA A O     
997  C CB    . ALA A 135 ? 0.6436 0.5691 0.5326 0.0305  0.0770  -0.0059 128 ALA A CB    
998  N N     . HIS A 136 ? 0.7597 0.7052 0.6675 0.0276  0.0804  -0.0284 129 HIS A N     
999  C CA    . HIS A 136 ? 0.7865 0.7464 0.6940 0.0319  0.0821  -0.0344 129 HIS A CA    
1000 C C     . HIS A 136 ? 0.8643 0.8407 0.7857 0.0275  0.0843  -0.0392 129 HIS A C     
1001 O O     . HIS A 136 ? 0.9008 0.8938 0.8232 0.0329  0.0859  -0.0424 129 HIS A O     
1002 C CB    . HIS A 136 ? 0.8073 0.7638 0.7113 0.0395  0.0785  -0.0391 129 HIS A CB    
1003 C CG    . HIS A 136 ? 0.8711 0.8172 0.7625 0.0418  0.0774  -0.0370 129 HIS A CG    
1004 N ND1   . HIS A 136 ? 0.9026 0.8495 0.7847 0.0457  0.0817  -0.0393 129 HIS A ND1   
1005 C CD2   . HIS A 136 ? 0.9014 0.8386 0.7890 0.0402  0.0731  -0.0336 129 HIS A CD2   
1006 C CE1   . HIS A 136 ? 0.9050 0.8447 0.7782 0.0443  0.0793  -0.0395 129 HIS A CE1   
1007 N NE2   . HIS A 136 ? 0.9070 0.8433 0.7830 0.0416  0.0735  -0.0353 129 HIS A NE2   
1008 N N     . PHE A 137 ? 0.8099 0.7832 0.7429 0.0179  0.0850  -0.0398 130 PHE A N     
1009 C CA    . PHE A 137 ? 0.8035 0.7960 0.7517 0.0106  0.0869  -0.0474 130 PHE A CA    
1010 C C     . PHE A 137 ? 0.8228 0.8150 0.7799 -0.0017 0.0938  -0.0430 130 PHE A C     
1011 O O     . PHE A 137 ? 0.8154 0.8307 0.7807 -0.0062 0.0975  -0.0455 130 PHE A O     
1012 C CB    . PHE A 137 ? 0.8358 0.8300 0.7942 0.0084  0.0822  -0.0587 130 PHE A CB    
1013 C CG    . PHE A 137 ? 0.8888 0.9035 0.8644 -0.0032 0.0841  -0.0693 130 PHE A CG    
1014 C CD1   . PHE A 137 ? 0.9438 0.9934 0.9242 -0.0012 0.0839  -0.0738 130 PHE A CD1   
1015 C CD2   . PHE A 137 ? 0.9374 0.9375 0.9258 -0.0164 0.0871  -0.0746 130 PHE A CD2   
1016 C CE1   . PHE A 137 ? 0.9536 1.0286 0.9515 -0.0136 0.0851  -0.0850 130 PHE A CE1   
1017 C CE2   . PHE A 137 ? 0.9804 1.0004 0.9866 -0.0303 0.0897  -0.0871 130 PHE A CE2   
1018 C CZ    . PHE A 137 ? 0.9451 1.0051 0.9561 -0.0295 0.0878  -0.0929 130 PHE A CZ    
1019 N N     . LEU A 138 ? 0.7665 0.7343 0.7239 -0.0067 0.0962  -0.0360 131 LEU A N     
1020 C CA    . LEU A 138 ? 0.7643 0.7263 0.7302 -0.0180 0.1047  -0.0289 131 LEU A CA    
1021 C C     . LEU A 138 ? 0.7577 0.7344 0.7152 -0.0167 0.1102  -0.0195 131 LEU A C     
1022 O O     . LEU A 138 ? 0.7528 0.7454 0.7226 -0.0264 0.1165  -0.0207 131 LEU A O     
1023 C CB    . LEU A 138 ? 0.7842 0.7148 0.7488 -0.0185 0.1071  -0.0188 131 LEU A CB    
1024 C CG    . LEU A 138 ? 0.8597 0.7725 0.8428 -0.0296 0.1120  -0.0246 131 LEU A CG    
1025 C CD1   . LEU A 138 ? 0.8529 0.7788 0.8473 -0.0335 0.1066  -0.0453 131 LEU A CD1   
1026 C CD2   . LEU A 138 ? 0.8846 0.7662 0.8635 -0.0232 0.1130  -0.0139 131 LEU A CD2   
1027 N N     . PRO A 139 ? 0.6824 0.6582 0.6204 -0.0057 0.1083  -0.0125 132 PRO A N     
1028 C CA    . PRO A 139 ? 0.6696 0.6608 0.5995 -0.0043 0.1145  -0.0061 132 PRO A CA    
1029 C C     . PRO A 139 ? 0.7199 0.7395 0.6584 -0.0041 0.1168  -0.0143 132 PRO A C     
1030 O O     . PRO A 139 ? 0.7232 0.7587 0.6658 -0.0088 0.1244  -0.0100 132 PRO A O     
1031 C CB    . PRO A 139 ? 0.6829 0.6675 0.5911 0.0071  0.1107  -0.0032 132 PRO A CB    
1032 C CG    . PRO A 139 ? 0.7394 0.7032 0.6454 0.0087  0.1045  -0.0010 132 PRO A CG    
1033 C CD    . PRO A 139 ? 0.6820 0.6439 0.6050 0.0046  0.1013  -0.0111 132 PRO A CD    
1034 N N     . ALA A 140 ? 0.6753 0.7038 0.6169 0.0023  0.1107  -0.0246 133 ALA A N     
1035 C CA    . ALA A 140 ? 0.6607 0.7196 0.6104 0.0063  0.1121  -0.0308 133 ALA A CA    
1036 C C     . ALA A 140 ? 0.6924 0.7724 0.6640 -0.0074 0.1146  -0.0360 133 ALA A C     
1037 O O     . ALA A 140 ? 0.7039 0.8127 0.6836 -0.0083 0.1195  -0.0361 133 ALA A O     
1038 C CB    . ALA A 140 ? 0.6593 0.7208 0.6063 0.0174  0.1055  -0.0377 133 ALA A CB    
1039 N N     . ALA A 141 ? 0.6327 0.6989 0.6148 -0.0184 0.1119  -0.0412 134 ALA A N     
1040 C CA    . ALA A 141 ? 0.6218 0.7026 0.6264 -0.0353 0.1148  -0.0496 134 ALA A CA    
1041 C C     . ALA A 141 ? 0.6761 0.7543 0.6872 -0.0473 0.1257  -0.0398 134 ALA A C     
1042 O O     . ALA A 141 ? 0.6907 0.7973 0.7188 -0.0580 0.1307  -0.0443 134 ALA A O     
1043 C CB    . ALA A 141 ? 0.6265 0.6852 0.6379 -0.0425 0.1108  -0.0584 134 ALA A CB    
1044 N N     . LEU A 142 ? 0.6227 0.6714 0.6196 -0.0445 0.1296  -0.0255 135 LEU A N     
1045 C CA    . LEU A 142 ? 0.6242 0.6682 0.6221 -0.0524 0.1409  -0.0118 135 LEU A CA    
1046 C C     . LEU A 142 ? 0.6749 0.7512 0.6702 -0.0482 0.1457  -0.0088 135 LEU A C     
1047 O O     . LEU A 142 ? 0.6995 0.7926 0.7093 -0.0602 0.1548  -0.0061 135 LEU A O     
1048 C CB    . LEU A 142 ? 0.6240 0.6373 0.6014 -0.0441 0.1415  0.0036  135 LEU A CB    
1049 C CG    . LEU A 142 ? 0.6789 0.6718 0.6594 -0.0530 0.1523  0.0198  135 LEU A CG    
1050 C CD1   . LEU A 142 ? 0.6628 0.6530 0.6203 -0.0424 0.1549  0.0362  135 LEU A CD1   
1051 C CD2   . LEU A 142 ? 0.7075 0.7119 0.7120 -0.0716 0.1638  0.0188  135 LEU A CD2   
1052 N N     . ARG A 143 ? 0.6336 0.7181 0.6118 -0.0315 0.1407  -0.0098 136 ARG A N     
1053 C CA    . ARG A 143 ? 0.6308 0.7431 0.6045 -0.0234 0.1458  -0.0080 136 ARG A CA    
1054 C C     . ARG A 143 ? 0.6776 0.8290 0.6741 -0.0289 0.1470  -0.0172 136 ARG A C     
1055 O O     . ARG A 143 ? 0.6832 0.8597 0.6885 -0.0338 0.1557  -0.0133 136 ARG A O     
1056 C CB    . ARG A 143 ? 0.6457 0.7515 0.5985 -0.0047 0.1408  -0.0099 136 ARG A CB    
1057 C CG    . ARG A 143 ? 0.7579 0.8825 0.7010 0.0057  0.1485  -0.0068 136 ARG A CG    
1058 C CD    . ARG A 143 ? 0.8849 0.9999 0.8111 0.0227  0.1452  -0.0116 136 ARG A CD    
1059 N NE    . ARG A 143 ? 1.1376 1.2656 1.0537 0.0332  0.1542  -0.0103 136 ARG A NE    
1060 C CZ    . ARG A 143 ? 1.3067 1.4614 1.2315 0.0428  0.1592  -0.0130 136 ARG A CZ    
1061 N NH1   . ARG A 143 ? 1.1389 1.3021 1.0537 0.0531  0.1689  -0.0120 136 ARG A NH1   
1062 N NH2   . ARG A 143 ? 1.0477 1.2234 0.9912 0.0429  0.1549  -0.0167 136 ARG A NH2   
1063 N N     . ALA A 144 ? 0.6113 0.7714 0.6178 -0.0286 0.1382  -0.0294 137 ALA A N     
1064 C CA    . ALA A 144 ? 0.5915 0.7948 0.6196 -0.0335 0.1373  -0.0395 137 ALA A CA    
1065 C C     . ALA A 144 ? 0.6370 0.8514 0.6886 -0.0572 0.1439  -0.0426 137 ALA A C     
1066 O O     . ALA A 144 ? 0.6357 0.8895 0.7028 -0.0623 0.1492  -0.0440 137 ALA A O     
1067 C CB    . ALA A 144 ? 0.5877 0.7974 0.6184 -0.0281 0.1264  -0.0512 137 ALA A CB    
1068 N N     . ALA A 145 ? 0.5943 0.7734 0.6493 -0.0714 0.1452  -0.0427 138 ALA A N     
1069 C CA    . ALA A 145 ? 0.5997 0.7798 0.6781 -0.0958 0.1543  -0.0453 138 ALA A CA    
1070 C C     . ALA A 145 ? 0.6570 0.8474 0.7369 -0.1000 0.1671  -0.0309 138 ALA A C     
1071 O O     . ALA A 145 ? 0.6762 0.9006 0.7787 -0.1143 0.1736  -0.0357 138 ALA A O     
1072 C CB    . ALA A 145 ? 0.6211 0.7532 0.6994 -0.1053 0.1558  -0.0443 138 ALA A CB    
1073 N N     . LEU A 146 ? 0.5869 0.7538 0.6425 -0.0868 0.1704  -0.0142 139 LEU A N     
1074 C CA    . LEU A 146 ? 0.5742 0.7504 0.6260 -0.0881 0.1829  0.0009  139 LEU A CA    
1075 C C     . LEU A 146 ? 0.6357 0.8605 0.6928 -0.0807 0.1852  -0.0023 139 LEU A C     
1076 O O     . LEU A 146 ? 0.6458 0.8914 0.7116 -0.0880 0.1968  0.0054  139 LEU A O     
1077 C CB    . LEU A 146 ? 0.5635 0.7078 0.5853 -0.0742 0.1841  0.0168  139 LEU A CB    
1078 C CG    . LEU A 146 ? 0.6018 0.7023 0.6193 -0.0807 0.1860  0.0266  139 LEU A CG    
1079 C CD1   . LEU A 146 ? 0.5645 0.6422 0.5515 -0.0634 0.1814  0.0372  139 LEU A CD1   
1080 C CD2   . LEU A 146 ? 0.6398 0.7356 0.6725 -0.0983 0.2020  0.0399  139 LEU A CD2   
1081 N N     . LEU A 147 ? 0.5879 0.8308 0.6398 -0.0648 0.1753  -0.0119 140 LEU A N     
1082 C CA    . LEU A 147 ? 0.5717 0.8597 0.6282 -0.0532 0.1774  -0.0140 140 LEU A CA    
1083 C C     . LEU A 147 ? 0.6488 0.9837 0.7352 -0.0639 0.1746  -0.0270 140 LEU A C     
1084 O O     . LEU A 147 ? 0.6307 1.0095 0.7246 -0.0540 0.1762  -0.0283 140 LEU A O     
1085 C CB    . LEU A 147 ? 0.5484 0.8274 0.5820 -0.0277 0.1703  -0.0148 140 LEU A CB    
1086 C CG    . LEU A 147 ? 0.5905 0.8545 0.5985 -0.0117 0.1768  -0.0051 140 LEU A CG    
1087 C CD1   . LEU A 147 ? 0.5925 0.8537 0.5975 -0.0218 0.1888  0.0066  140 LEU A CD1   
1088 C CD2   . LEU A 147 ? 0.5763 0.8030 0.5604 0.0014  0.1693  -0.0062 140 LEU A CD2   
1089 N N     . GLY A 148 ? 0.6549 0.9819 0.7581 -0.0836 0.1709  -0.0374 141 GLY A N     
1090 C CA    . GLY A 148 ? 0.6552 1.0268 0.7867 -0.0973 0.1669  -0.0537 141 GLY A CA    
1091 C C     . GLY A 148 ? 0.7199 1.1208 0.8475 -0.0783 0.1546  -0.0623 141 GLY A C     
1092 O O     . GLY A 148 ? 0.7101 1.1671 0.8560 -0.0783 0.1526  -0.0699 141 GLY A O     
1093 N N     . ARG A 149 ? 0.7076 1.0728 0.8109 -0.0607 0.1472  -0.0593 142 ARG A N     
1094 C CA    . ARG A 149 ? 0.7122 1.0949 0.8069 -0.0395 0.1374  -0.0630 142 ARG A CA    
1095 C C     . ARG A 149 ? 0.8255 1.1803 0.9140 -0.0419 0.1272  -0.0724 142 ARG A C     
1096 O O     . ARG A 149 ? 0.8109 1.1594 0.8839 -0.0222 0.1207  -0.0705 142 ARG A O     
1097 C CB    . ARG A 149 ? 0.7167 1.0814 0.7866 -0.0136 0.1409  -0.0492 142 ARG A CB    
1098 C CG    . ARG A 149 ? 0.8603 1.2559 0.9338 -0.0051 0.1513  -0.0407 142 ARG A CG    
1099 C CD    . ARG A 149 ? 0.9209 1.3770 1.0102 0.0069  0.1491  -0.0441 142 ARG A CD    
1100 N NE    . ARG A 149 ? 0.8925 1.3790 0.9854 0.0182  0.1599  -0.0354 142 ARG A NE    
1101 C CZ    . ARG A 149 ? 1.0732 1.5974 1.1873 0.0036  0.1669  -0.0361 142 ARG A CZ    
1102 N NH1   . ARG A 149 ? 0.9903 1.5224 1.1244 -0.0250 0.1653  -0.0452 142 ARG A NH1   
1103 N NH2   . ARG A 149 ? 0.8411 1.3940 0.9574 0.0168  0.1771  -0.0279 142 ARG A NH2   
1104 N N     . LEU A 150 ? 0.8504 1.1866 0.9512 -0.0655 0.1273  -0.0820 143 LEU A N     
1105 C CA    . LEU A 150 ? 0.8786 1.1863 0.9747 -0.0690 0.1192  -0.0921 143 LEU A CA    
1106 C C     . LEU A 150 ? 0.9906 1.3386 1.0927 -0.0630 0.1085  -0.1063 143 LEU A C     
1107 O O     . LEU A 150 ? 0.9626 1.2927 1.0493 -0.0496 0.1013  -0.1067 143 LEU A O     
1108 C CB    . LEU A 150 ? 0.8954 1.1734 1.0053 -0.0948 0.1243  -0.0997 143 LEU A CB    
1109 C CG    . LEU A 150 ? 0.9552 1.1709 1.0488 -0.0932 0.1254  -0.0918 143 LEU A CG    
1110 C CD1   . LEU A 150 ? 0.9817 1.1735 1.0928 -0.1170 0.1307  -0.1022 143 LEU A CD1   
1111 C CD2   . LEU A 150 ? 0.9322 1.1322 1.0058 -0.0738 0.1149  -0.0924 143 LEU A CD2   
1112 N N     . ARG A 151 ? 1.0202 1.4262 1.1450 -0.0729 0.1077  -0.1176 144 ARG A N     
1113 C CA    . ARG A 151 ? 1.0377 1.4969 1.1703 -0.0676 0.0976  -0.1312 144 ARG A CA    
1114 C C     . ARG A 151 ? 1.1254 1.5931 1.2373 -0.0349 0.0927  -0.1177 144 ARG A C     
1115 O O     . ARG A 151 ? 1.1220 1.6018 1.2274 -0.0253 0.0840  -0.1238 144 ARG A O     
1116 C CB    . ARG A 151 ? 1.0539 1.5794 1.2148 -0.0828 0.0991  -0.1422 144 ARG A CB    
1117 C CG    . ARG A 151 ? 1.2667 1.8652 1.4336 -0.0676 0.0901  -0.1473 144 ARG A CG    
1118 C CD    . ARG A 151 ? 1.5130 2.1350 1.6842 -0.0751 0.0790  -0.1687 144 ARG A CD    
1119 N NE    . ARG A 151 ? 1.6632 2.3252 1.8220 -0.0466 0.0701  -0.1625 144 ARG A NE    
1120 C CZ    . ARG A 151 ? 1.8546 2.5946 2.0261 -0.0383 0.0650  -0.1655 144 ARG A CZ    
1121 N NH1   . ARG A 151 ? 1.6782 2.4679 1.8767 -0.0583 0.0672  -0.1769 144 ARG A NH1   
1122 N NH2   . ARG A 151 ? 1.6961 2.4667 1.8541 -0.0096 0.0585  -0.1559 144 ARG A NH2   
1123 N N     . THR A 152 ? 1.1147 1.5719 1.2156 -0.0183 0.0998  -0.0995 145 THR A N     
1124 C CA    . THR A 152 ? 1.1233 1.5794 1.2054 0.0121  0.0991  -0.0855 145 THR A CA    
1125 C C     . THR A 152 ? 1.2180 1.6163 1.2776 0.0199  0.0962  -0.0816 145 THR A C     
1126 O O     . THR A 152 ? 1.2129 1.6141 1.2607 0.0403  0.0928  -0.0761 145 THR A O     
1127 C CB    . THR A 152 ? 1.2163 1.6792 1.2954 0.0260  0.1093  -0.0704 145 THR A CB    
1128 O OG1   . THR A 152 ? 1.2578 1.6619 1.3175 0.0292  0.1155  -0.0607 145 THR A OG1   
1129 C CG2   . THR A 152 ? 1.1659 1.6724 1.2687 0.0103  0.1148  -0.0744 145 THR A CG2   
1130 N N     . LEU A 153 ? 1.2156 1.5642 1.2706 0.0041  0.0981  -0.0834 146 LEU A N     
1131 C CA    . LEU A 153 ? 1.2287 1.5260 1.2650 0.0093  0.0951  -0.0806 146 LEU A CA    
1132 C C     . LEU A 153 ? 1.3335 1.6331 1.3742 0.0015  0.0864  -0.0951 146 LEU A C     
1133 O O     . LEU A 153 ? 1.3261 1.6088 1.3531 0.0140  0.0819  -0.0931 146 LEU A O     
1134 C CB    . LEU A 153 ? 1.2314 1.4798 1.2602 -0.0011 0.1010  -0.0742 146 LEU A CB    
1135 C CG    . LEU A 153 ? 1.2768 1.4770 1.2853 0.0075  0.0987  -0.0683 146 LEU A CG    
1136 C CD1   . LEU A 153 ? 1.2732 1.4603 1.2644 0.0251  0.1036  -0.0559 146 LEU A CD1   
1137 C CD2   . LEU A 153 ? 1.2972 1.4593 1.3055 -0.0079 0.1004  -0.0683 146 LEU A CD2   
1138 N N     . LEU A 154 ? 1.3299 1.6495 1.3901 -0.0202 0.0852  -0.1106 147 LEU A N     
1139 C CA    . LEU A 154 ? 1.3447 1.6706 1.4120 -0.0312 0.0784  -0.1289 147 LEU A CA    
1140 C C     . LEU A 154 ? 1.4308 1.8051 1.5235 -0.0520 0.0777  -0.1476 147 LEU A C     
1141 O O     . LEU A 154 ? 1.4354 1.7956 1.5430 -0.0742 0.0842  -0.1537 147 LEU A O     
1142 C CB    . LEU A 154 ? 1.3547 1.6221 1.4153 -0.0401 0.0795  -0.1314 147 LEU A CB    
1143 C CG    . LEU A 154 ? 1.4235 1.6488 1.4867 -0.0533 0.0885  -0.1236 147 LEU A CG    
1144 C CD1   . LEU A 154 ? 1.4438 1.6577 1.5257 -0.0783 0.0921  -0.1397 147 LEU A CD1   
1145 C CD2   . LEU A 154 ? 1.4449 1.6199 1.4876 -0.0414 0.0891  -0.1095 147 LEU A CD2   
1146 N N     . PRO A 155 ? 1.4052 1.8396 1.5037 -0.0449 0.0703  -0.1564 148 PRO A N     
1147 C CA    . PRO A 155 ? 1.4178 1.9065 1.5417 -0.0658 0.0685  -0.1768 148 PRO A CA    
1148 C C     . PRO A 155 ? 1.4963 1.9668 1.6327 -0.0929 0.0682  -0.2015 148 PRO A C     
1149 O O     . PRO A 155 ? 1.5056 1.9911 1.6652 -0.1185 0.0729  -0.2161 148 PRO A O     
1150 C CB    . PRO A 155 ? 1.4302 1.9860 1.5522 -0.0470 0.0593  -0.1784 148 PRO A CB    
1151 C CG    . PRO A 155 ? 1.4715 2.0060 1.5697 -0.0153 0.0602  -0.1533 148 PRO A CG    
1152 C CD    . PRO A 155 ? 1.4156 1.8738 1.4985 -0.0175 0.0640  -0.1474 148 PRO A CD    
1153 N N     . TRP A 156 ? 1.4600 1.8967 1.5819 -0.0872 0.0641  -0.2062 149 TRP A N     
1154 C CA    . TRP A 156 ? 1.9224 2.3337 2.0521 -0.1078 0.0647  -0.2291 149 TRP A CA    
1155 C C     . TRP A 156 ? 2.2423 2.5913 2.3796 -0.1259 0.0765  -0.2255 149 TRP A C     
1156 O O     . TRP A 156 ? 1.7266 2.0189 1.8525 -0.1222 0.0794  -0.2199 149 TRP A O     
1157 C CB    . TRP A 156 ? 1.9032 2.2971 2.0128 -0.0913 0.0579  -0.2306 149 TRP A CB    
1158 C CG    . TRP A 156 ? 1.9007 2.2613 1.9866 -0.0650 0.0579  -0.2031 149 TRP A CG    
1159 C CD1   . TRP A 156 ? 1.9392 2.2369 2.0147 -0.0620 0.0637  -0.1885 149 TRP A CD1   
1160 C CD2   . TRP A 156 ? 1.8827 2.2734 1.9540 -0.0386 0.0530  -0.1870 149 TRP A CD2   
1161 N NE1   . TRP A 156 ? 1.9178 2.2053 1.9736 -0.0377 0.0621  -0.1673 149 TRP A NE1   
1162 C CE2   . TRP A 156 ? 1.9254 2.2656 1.9785 -0.0230 0.0566  -0.1655 149 TRP A CE2   
1163 C CE3   . TRP A 156 ? 1.8913 2.3476 1.9635 -0.0260 0.0466  -0.1880 149 TRP A CE3   
1164 C CZ2   . TRP A 156 ? 1.9040 2.2521 1.9411 0.0027  0.0555  -0.1467 149 TRP A CZ2   
1165 C CZ3   . TRP A 156 ? 1.8980 2.3615 1.9535 0.0024  0.0459  -0.1662 149 TRP A CZ3   
1166 C CH2   . TRP A 156 ? 1.9010 2.3081 1.9396 0.0155  0.0509  -0.1465 149 TRP A CH2   
1167 S S     . SO4 B .   ? 1.8396 1.8050 1.7073 0.0509  0.1005  -0.0393 201 SO4 A S     
1168 O O1    . SO4 B .   ? 1.8318 1.7969 1.7076 0.0442  0.0937  -0.0351 201 SO4 A O1    
1169 O O2    . SO4 B .   ? 1.8374 1.7904 1.7032 0.0552  0.0996  -0.0443 201 SO4 A O2    
1170 O O3    . SO4 B .   ? 1.8488 1.8297 1.7245 0.0560  0.1062  -0.0385 201 SO4 A O3    
1171 O O4    . SO4 B .   ? 1.8526 1.8170 1.7064 0.0483  0.1036  -0.0394 201 SO4 A O4    
1172 C C1    . PLM C .   ? 1.1842 1.1660 1.0207 0.0186  0.0515  -0.0728 202 PLM A C1    
1173 O O1    . PLM C .   ? 1.1936 1.1759 1.0206 0.0227  0.0534  -0.0648 202 PLM A O1    
1174 O O2    . PLM C .   ? 1.1321 1.0982 0.9803 0.0204  0.0548  -0.0727 202 PLM A O2    
1175 C C2    . PLM C .   ? 1.1810 1.1873 1.0123 0.0112  0.0454  -0.0822 202 PLM A C2    
1176 C C3    . PLM C .   ? 1.1170 1.1415 0.9584 0.0141  0.0355  -0.0744 202 PLM A C3    
1177 C C4    . PLM C .   ? 1.0928 1.1532 0.9249 0.0137  0.0262  -0.0725 202 PLM A C4    
1178 C C5    . PLM C .   ? 1.0883 1.1543 0.9154 0.0263  0.0226  -0.0507 202 PLM A C5    
1179 C C6    . PLM C .   ? 1.0781 1.1554 0.9180 0.0352  0.0155  -0.0375 202 PLM A C6    
1180 C C7    . PLM C .   ? 1.1037 1.1871 0.9392 0.0485  0.0134  -0.0145 202 PLM A C7    
1181 C C8    . PLM C .   ? 1.1343 1.2578 0.9676 0.0557  0.0037  -0.0052 202 PLM A C8    
1182 C C9    . PLM C .   ? 1.1134 1.2499 0.9642 0.0588  -0.0021 -0.0062 202 PLM A C9    
1183 C CA    . PLM C .   ? 1.0987 1.2289 0.9596 0.0762  -0.0022 0.0165  202 PLM A CA    
1184 C C1    . PAM D .   ? 1.3034 1.4084 1.2483 0.0704  0.0781  -0.0597 203 PAM A C1    
1185 O O1    . PAM D .   ? 1.3118 1.4555 1.2633 0.0769  0.0786  -0.0598 203 PAM A O1    
1186 O O2    . PAM D .   ? 1.2898 1.3780 1.2280 0.0752  0.0766  -0.0584 203 PAM A O2    
1187 C C2    . PAM D .   ? 1.2810 1.3692 1.2280 0.0574  0.0801  -0.0600 203 PAM A C2    
1188 C C3    . PAM D .   ? 1.2610 1.3177 1.2065 0.0464  0.0771  -0.0628 203 PAM A C3    
1189 C C4    . PAM D .   ? 1.1930 1.2543 1.1488 0.0371  0.0720  -0.0742 203 PAM A C4    
1190 C C5    . PAM D .   ? 1.1501 1.1775 1.1017 0.0339  0.0702  -0.0734 203 PAM A C5    
1191 C C6    . PAM D .   ? 1.1373 1.1589 1.1007 0.0218  0.0689  -0.0840 203 PAM A C6    
1192 C C7    . PAM D .   ? 1.1201 1.1065 1.0808 0.0189  0.0698  -0.0783 203 PAM A C7    
1193 C C8    . PAM D .   ? 1.1000 1.0747 1.0744 0.0058  0.0728  -0.0862 203 PAM A C8    
1194 C C9    . PAM D .   ? 1.0591 1.0115 1.0344 0.0082  0.0715  -0.0894 203 PAM A C9    
1195 C C10   . PAM D .   ? 1.0460 0.9698 1.0200 0.0094  0.0739  -0.0801 203 PAM A C10   
1196 C C11   . PAM D .   ? 1.0563 0.9608 1.0326 0.0142  0.0734  -0.0831 203 PAM A C11   
1197 C C12   . PAM D .   ? 1.0774 0.9534 1.0537 0.0158  0.0778  -0.0686 203 PAM A C12   
1198 C C8    . PLM E .   ? 1.2761 1.7848 1.3269 0.1306  -0.0555 0.0215  204 PLM A C8    
1199 C C9    . PLM E .   ? 1.2695 1.8068 1.3388 0.1071  -0.0560 -0.0009 204 PLM A C9    
1200 C CA    . PLM E .   ? 1.2746 1.8540 1.3698 0.1217  -0.0571 0.0073  204 PLM A CA    
1201 C CB    . PLM E .   ? 1.2696 1.8719 1.3854 0.0972  -0.0547 -0.0140 204 PLM A CB    
1202 C CC    . PLM E .   ? 1.2573 1.8216 1.3854 0.1026  -0.0419 -0.0125 204 PLM A CC    
1203 C CD    . PLM E .   ? 1.2423 1.7625 1.3669 0.0762  -0.0320 -0.0315 204 PLM A CD    
1204 C CE    . PLM E .   ? 1.2101 1.7187 1.3526 0.0766  -0.0209 -0.0331 204 PLM A CE    
1205 C CF    . PLM E .   ? 1.1857 1.7406 1.3516 0.0539  -0.0201 -0.0480 204 PLM A CF    
1206 C C7    . PLM F .   ? 1.0564 1.4039 1.0298 0.1054  -0.0405 0.0135  205 PLM A C7    
1207 C C8    . PLM F .   ? 1.0233 1.3436 1.0117 0.0953  -0.0329 -0.0001 205 PLM A C8    
1208 C C9    . PLM F .   ? 0.9969 1.3470 1.0077 0.1073  -0.0344 0.0061  205 PLM A C9    
1209 C CA    . PLM F .   ? 0.9662 1.2956 0.9913 0.0972  -0.0263 -0.0068 205 PLM A CA    
1210 C CB    . PLM F .   ? 0.9419 1.3111 0.9804 0.0763  -0.0294 -0.0247 205 PLM A CB    
1211 C CC    . PLM F .   ? 0.9351 1.3149 0.9963 0.0792  -0.0245 -0.0256 205 PLM A CC    
1212 C CD    . PLM F .   ? 0.9448 1.2822 1.0076 0.0657  -0.0127 -0.0370 205 PLM A CD    
1213 C CE    . PLM F .   ? 0.9544 1.3056 1.0387 0.0709  -0.0071 -0.0358 205 PLM A CE    
1214 C CF    . PLM F .   ? 0.9304 1.2334 1.0118 0.0712  0.0052  -0.0376 205 PLM A CF    
1215 C CG    . PLM F .   ? 0.9178 1.2400 1.0198 0.0676  0.0121  -0.0411 205 PLM A CG    
1216 C CA    . PLM G .   ? 1.0283 1.1084 1.1642 -0.1607 0.1615  -0.0907 206 PLM A CA    
1217 C CB    . PLM G .   ? 1.0380 1.0718 1.1483 -0.1422 0.1619  -0.0686 206 PLM A CB    
1218 C CC    . PLM G .   ? 0.9736 1.0140 1.0586 -0.1171 0.1471  -0.0670 206 PLM A CC    
1219 C CD    . PLM G .   ? 0.9375 0.9494 0.9974 -0.1000 0.1480  -0.0435 206 PLM A CD    
1220 C CE    . PLM G .   ? 0.9240 0.9043 0.9699 -0.0872 0.1401  -0.0434 206 PLM A CE    
1221 C CF    . PLM G .   ? 0.9205 0.8803 0.9418 -0.0705 0.1393  -0.0224 206 PLM A CF    
1222 C CG    . PLM G .   ? 0.9393 0.8593 0.9613 -0.0731 0.1485  -0.0070 206 PLM A CG    
1223 C C5    . PLM H .   ? 1.2795 1.3011 1.2928 -0.0273 0.0766  -0.1263 207 PLM A C5    
1224 C C6    . PLM H .   ? 1.2468 1.3020 1.2497 -0.0128 0.0695  -0.1260 207 PLM A C6    
1225 C C7    . PLM H .   ? 1.2091 1.2940 1.2118 -0.0103 0.0703  -0.1186 207 PLM A C7    
1226 C C8    . PLM H .   ? 1.1714 1.3043 1.1752 -0.0031 0.0652  -0.1264 207 PLM A C8    
1227 C C9    . PLM H .   ? 1.1513 1.3029 1.1471 0.0111  0.0664  -0.1114 207 PLM A C9    
1228 C CA    . PLM H .   ? 1.1321 1.3383 1.1330 0.0176  0.0630  -0.1168 207 PLM A CA    
1229 C CB    . PLM H .   ? 1.1097 1.3275 1.0998 0.0382  0.0654  -0.0997 207 PLM A CB    
1230 C C6    . PLM I .   ? 1.0631 0.9530 0.9563 0.0808  0.1167  -0.0418 208 PLM A C6    
1231 C C7    . PLM I .   ? 1.0644 0.9685 0.9619 0.0765  0.1043  -0.0427 208 PLM A C7    
1232 C C8    . PLM I .   ? 1.0748 0.9817 0.9780 0.0815  0.1070  -0.0373 208 PLM A C8    
1233 C C9    . PLM I .   ? 1.0574 0.9818 0.9646 0.0817  0.0962  -0.0382 208 PLM A C9    
1234 C CA    . PLM I .   ? 1.0584 0.9821 0.9712 0.0781  0.0952  -0.0388 208 PLM A CA    
1235 C CB    . PLM I .   ? 1.0300 0.9707 0.9460 0.0858  0.0924  -0.0360 208 PLM A CB    
1236 C CC    . PLM I .   ? 1.0158 0.9632 0.9360 0.0811  0.0821  -0.0422 208 PLM A CC    
1237 C CD    . PLM I .   ? 1.0040 0.9602 0.9293 0.0848  0.0836  -0.0406 208 PLM A CD    
1238 C CE    . PLM I .   ? 0.9923 0.9646 0.9184 0.0906  0.0782  -0.0447 208 PLM A CE    
1239 C CF    . PLM I .   ? 0.9760 0.9484 0.9081 0.0873  0.0713  -0.0507 208 PLM A CF    
1240 C CG    . PLM I .   ? 0.9821 0.9620 0.9196 0.0902  0.0746  -0.0486 208 PLM A CG    
1241 C C7    . PAM J .   ? 1.1441 0.9732 1.0816 0.1163  0.0845  0.1027  209 PAM A C7    
1242 C C8    . PAM J .   ? 1.1278 0.9448 1.0733 0.1007  0.0847  0.0761  209 PAM A C8    
1243 C C9    . PAM J .   ? 1.1414 0.9209 1.1023 0.0950  0.0981  0.0728  209 PAM A C9    
1244 C C10   . PAM J .   ? 1.1162 0.8839 1.0854 0.0797  0.1015  0.0527  209 PAM A C10   
1245 C C11   . PAM J .   ? 1.0852 0.8739 1.0494 0.0674  0.0931  0.0320  209 PAM A C11   
1246 C C12   . PAM J .   ? 1.0888 0.8626 1.0671 0.0554  0.0984  0.0109  209 PAM A C12   
1247 C C13   . PAM J .   ? 1.0999 0.8770 1.0792 0.0393  0.1024  0.0057  209 PAM A C13   
1248 C C14   . PAM J .   ? 1.1111 0.9022 1.0954 0.0288  0.0982  -0.0192 209 PAM A C14   
1249 C C15   . PAM J .   ? 1.1532 0.9259 1.1553 0.0154  0.1081  -0.0338 209 PAM A C15   
1250 C C16   . PAM J .   ? 1.1275 0.9187 1.1341 0.0089  0.1025  -0.0596 209 PAM A C16   
1251 C C7    . PAM K .   ? 1.0053 0.8403 0.9911 0.1765  0.0791  0.0942  210 PAM A C7    
1252 C C8    . PAM K .   ? 1.0079 0.8095 1.0041 0.1665  0.0872  0.0718  210 PAM A C8    
1253 C C9    . PAM K .   ? 0.9702 0.7589 0.9609 0.1456  0.0888  0.0595  210 PAM A C9    
1254 C C10   . PAM K .   ? 0.9430 0.7104 0.9407 0.1331  0.0942  0.0385  210 PAM A C10   
1255 C C11   . PAM K .   ? 0.9355 0.6967 0.9294 0.1132  0.0954  0.0269  210 PAM A C11   
1256 C C12   . PAM K .   ? 0.9194 0.6768 0.9193 0.1015  0.0957  -0.0007 210 PAM A C12   
1257 C C13   . PAM K .   ? 0.9227 0.6853 0.9179 0.0831  0.0946  -0.0099 210 PAM A C13   
1258 C C14   . PAM K .   ? 0.9355 0.7005 0.9363 0.0717  0.0946  -0.0364 210 PAM A C14   
1259 C C15   . PAM K .   ? 0.9248 0.7131 0.9171 0.0590  0.0881  -0.0431 210 PAM A C15   
1260 C C16   . PAM K .   ? 0.9367 0.7242 0.9372 0.0443  0.0918  -0.0647 210 PAM A C16   
1261 C C1    . PAM L .   ? 1.2950 1.7454 1.4711 -0.1207 0.1363  -0.1125 211 PAM A C1    
1262 O O1    . PAM L .   ? 1.2840 1.6697 1.4405 -0.1178 0.1398  -0.1013 211 PAM A O1    
1263 O O2    . PAM L .   ? 1.2642 1.7494 1.4334 -0.0997 0.1280  -0.1124 211 PAM A O2    
1264 C C2    . PAM L .   ? 1.3317 1.8112 1.5404 -0.1515 0.1444  -0.1242 211 PAM A C2    
1265 C C3    . PAM L .   ? 1.3686 1.8189 1.5918 -0.1790 0.1451  -0.1428 211 PAM A C3    
1266 C C4    . PAM L .   ? 1.4038 1.8047 1.6341 -0.1994 0.1613  -0.1331 211 PAM A C4    
1267 C C5    . PAM L .   ? 1.4276 1.7692 1.6565 -0.2123 0.1626  -0.1418 211 PAM A C5    
1268 C C6    . PAM L .   ? 1.4428 1.7173 1.6447 -0.1974 0.1675  -0.1180 211 PAM A C6    
1269 C C7    . PAM L .   ? 1.4818 1.7144 1.6960 -0.2183 0.1856  -0.1076 211 PAM A C7    
1270 C C8    . PAM L .   ? 1.4805 1.6472 1.6693 -0.2042 0.1886  -0.0873 211 PAM A C8    
1271 C C9    . PAM L .   ? 1.4648 1.6242 1.6403 -0.1952 0.1985  -0.0601 211 PAM A C9    
1272 C C10   . PAM L .   ? 1.4453 1.5666 1.5943 -0.1778 0.2003  -0.0378 211 PAM A C10   
1273 C C11   . PAM L .   ? 1.4236 1.4987 1.5500 -0.1620 0.1931  -0.0320 211 PAM A C11   
1274 C C12   . PAM L .   ? 1.4003 1.4498 1.5022 -0.1474 0.1993  -0.0041 211 PAM A C12   
1275 C C13   . PAM L .   ? 1.3952 1.3934 1.4833 -0.1387 0.1979  0.0052  211 PAM A C13   
1276 C C14   . PAM L .   ? 1.4029 1.3785 1.4733 -0.1301 0.2081  0.0344  211 PAM A C14   
1277 C C15   . PAM L .   ? 1.3988 1.3298 1.4551 -0.1183 0.2060  0.0456  211 PAM A C15   
1278 C C16   . PAM L .   ? 1.3919 1.3199 1.4183 -0.0989 0.2054  0.0696  211 PAM A C16   
1279 C C6    . PAM M .   ? 1.4753 1.5667 1.7270 -0.2754 0.2484  -0.0648 212 PAM A C6    
1280 C C7    . PAM M .   ? 1.4656 1.5139 1.6825 -0.2466 0.2393  -0.0492 212 PAM A C7    
1281 C C8    . PAM M .   ? 1.4935 1.5015 1.6947 -0.2377 0.2535  -0.0149 212 PAM A C8    
1282 C C9    . PAM M .   ? 1.4920 1.4654 1.6616 -0.2107 0.2432  -0.0025 212 PAM A C9    
1283 C C10   . PAM M .   ? 1.5146 1.4525 1.6633 -0.1957 0.2494  0.0256  212 PAM A C10   
1284 C C11   . PAM M .   ? 1.5584 1.4787 1.7072 -0.1997 0.2694  0.0551  212 PAM A C11   
1285 C C12   . PAM M .   ? 1.5964 1.4607 1.7330 -0.1880 0.2763  0.0767  212 PAM A C12   
1286 C C13   . PAM M .   ? 1.6037 1.4678 1.7096 -0.1661 0.2784  0.1095  212 PAM A C13   
1287 C C14   . PAM M .   ? 1.5931 1.4410 1.6706 -0.1399 0.2628  0.1147  212 PAM A C14   
1288 C C15   . PAM M .   ? 1.6207 1.4359 1.6825 -0.1256 0.2739  0.1493  212 PAM A C15   
1289 C C7    . PAM N .   ? 1.5088 1.5680 1.7339 -0.2685 0.3201  0.0649  213 PAM A C7    
1290 C C8    . PAM N .   ? 1.5125 1.5304 1.7000 -0.2400 0.3132  0.0854  213 PAM A C8    
1291 C C9    . PAM N .   ? 1.5571 1.5472 1.7355 -0.2376 0.3335  0.1209  213 PAM A C9    
1292 C C10   . PAM N .   ? 1.5694 1.5418 1.7139 -0.2131 0.3326  0.1474  213 PAM A C10   
1293 C C11   . PAM N .   ? 1.5363 1.5103 1.6442 -0.1834 0.3115  0.1470  213 PAM A C11   
1294 C C12   . PAM N .   ? 1.5517 1.4760 1.6416 -0.1687 0.3136  0.1686  213 PAM A C12   
1295 C C1    . PLM O .   ? 1.3309 1.7038 1.3924 -0.0151 -0.0125 -0.0967 214 PLM A C1    
1296 O O1    . PLM O .   ? 1.3216 1.6760 1.3947 -0.0321 -0.0008 -0.1079 214 PLM A O1    
1297 O O2    . PLM O .   ? 1.3318 1.7159 1.3975 0.0066  -0.0166 -0.0798 214 PLM A O2    
1298 C C2    . PLM O .   ? 1.3422 1.7214 1.3852 -0.0241 -0.0187 -0.1062 214 PLM A C2    
1299 C C3    . PLM O .   ? 1.3336 1.6765 1.3525 -0.0072 -0.0197 -0.0925 214 PLM A C3    
1300 C C4    . PLM O .   ? 1.3226 1.7017 1.3348 0.0128  -0.0322 -0.0759 214 PLM A C4    
1301 C C5    . PLM O .   ? 1.3208 1.6921 1.3081 0.0133  -0.0359 -0.0755 214 PLM A C5    
1302 C C6    . PLM O .   ? 1.3175 1.7111 1.2962 0.0379  -0.0445 -0.0521 214 PLM A C6    
1303 C C7    . PLM O .   ? 1.3247 1.6933 1.2783 0.0423  -0.0437 -0.0459 214 PLM A C7    
1304 C C2    . PLM P .   ? 0.9627 1.1631 1.0534 0.3432  0.0348  0.1633  215 PLM A C2    
1305 C C3    . PLM P .   ? 0.9047 1.1205 1.0025 0.3233  0.0306  0.1358  215 PLM A C3    
1306 C C4    . PLM P .   ? 0.8631 1.1528 0.9743 0.3261  0.0192  0.1369  215 PLM A C4    
1307 C C5    . PLM P .   ? 0.8985 1.1997 1.0313 0.3466  0.0269  0.1378  215 PLM A C5    
1308 C C6    . PLM P .   ? 0.8714 1.2435 1.0196 0.3407  0.0167  0.1308  215 PLM A C6    
1309 C C7    . PLM P .   ? 0.8370 1.2066 1.0016 0.3431  0.0253  0.1167  215 PLM A C7    
1310 C C8    . PLM P .   ? 0.8054 1.2400 0.9834 0.3266  0.0155  0.1053  215 PLM A C8    
1311 C C9    . PLM P .   ? 0.7398 1.1671 0.9278 0.3168  0.0235  0.0862  215 PLM A C9    
1312 C C9    . PLM Q .   ? 1.3814 1.5290 1.6285 -0.2913 0.3716  0.1188  216 PLM A C9    
1313 C CA    . PLM Q .   ? 1.3852 1.4922 1.5895 -0.2608 0.3624  0.1376  216 PLM A CA    
1314 C CB    . PLM Q .   ? 1.4253 1.5173 1.6101 -0.2517 0.3810  0.1758  216 PLM A CB    
1315 C CC    . PLM Q .   ? 1.4369 1.4796 1.5888 -0.2288 0.3761  0.1955  216 PLM A CC    
1316 C CD    . PLM Q .   ? 1.4157 1.4809 1.5243 -0.1975 0.3633  0.2056  216 PLM A CD    
1317 C CE    . PLM Q .   ? 1.4344 1.4589 1.5118 -0.1765 0.3620  0.2302  216 PLM A CE    
1318 C C1B   . LMT R .   ? 1.7327 1.7640 1.5758 0.1024  0.0325  0.0889  217 LMT A C1B   
1319 C C2B   . LMT R .   ? 1.7156 1.7670 1.5492 0.0892  0.0261  0.0655  217 LMT A C2B   
1320 C C3B   . LMT R .   ? 1.6995 1.7369 1.5473 0.0820  0.0243  0.0461  217 LMT A C3B   
1321 C C4B   . LMT R .   ? 1.7303 1.7769 1.5914 0.0925  0.0193  0.0526  217 LMT A C4B   
1322 C C5B   . LMT R .   ? 1.7393 1.7628 1.6088 0.1054  0.0262  0.0734  217 LMT A C5B   
1323 C C6B   . LMT R .   ? 1.7384 1.7684 1.6221 0.1185  0.0232  0.0807  217 LMT A C6B   
1324 O O1B   . LMT R .   ? 1.6891 1.6830 1.5408 0.0956  0.0421  0.0855  217 LMT A O1B   
1325 O O2B   . LMT R .   ? 1.7064 1.7496 1.5288 0.0802  0.0320  0.0600  217 LMT A O2B   
1326 O O3B   . LMT R .   ? 1.6708 1.7233 1.5113 0.0703  0.0206  0.0258  217 LMT A O3B   
1327 O "O4'" . LMT R .   ? 1.7365 1.7748 1.6105 0.0870  0.0178  0.0364  217 LMT A "O4'" 
1328 O O5B   . LMT R .   ? 1.7577 1.7927 1.6145 0.1127  0.0284  0.0933  217 LMT A O5B   
1329 O O6B   . LMT R .   ? 1.7150 1.7195 1.6135 0.1148  0.0263  0.0676  217 LMT A O6B   
1330 C "C1'" . LMT R .   ? 1.5864 1.4909 1.4636 0.0885  0.0753  0.1081  217 LMT A "C1'" 
1331 C "C2'" . LMT R .   ? 1.6596 1.5896 1.5200 0.0993  0.0737  0.1295  217 LMT A "C2'" 
1332 C "C3'" . LMT R .   ? 1.6603 1.6280 1.5075 0.1001  0.0599  0.1177  217 LMT A "C3'" 
1333 C "C4'" . LMT R .   ? 1.6572 1.6266 1.5162 0.1034  0.0518  0.1054  217 LMT A "C4'" 
1334 C "C5'" . LMT R .   ? 1.5937 1.5299 1.4706 0.0963  0.0567  0.0913  217 LMT A "C5'" 
1335 C "C6'" . LMT R .   ? 1.5347 1.4705 1.4243 0.1033  0.0515  0.0853  217 LMT A "C6'" 
1336 O "O1'" . LMT R .   ? 1.5409 1.4132 1.4313 0.0842  0.0883  0.1147  217 LMT A "O1'" 
1337 O "O2'" . LMT R .   ? 1.6921 1.6233 1.5426 0.0940  0.0816  0.1390  217 LMT A "O2'" 
1338 O "O3'" . LMT R .   ? 1.6694 1.6674 1.5006 0.1107  0.0571  0.1363  217 LMT A "O3'" 
1339 O "O5'" . LMT R .   ? 1.5988 1.5035 1.4852 0.0955  0.0688  0.1015  217 LMT A "O5'" 
1340 O "O6'" . LMT R .   ? 1.5295 1.4489 1.4288 0.1167  0.0579  0.1035  217 LMT A "O6'" 
1341 C C1    . LMT R .   ? 1.4707 1.3290 1.3723 0.0705  0.0899  0.0933  217 LMT A C1    
1342 C C2    . LMT R .   ? 1.4456 1.2750 1.3612 0.0621  0.1041  0.0983  217 LMT A C2    
1343 C C3    . LMT R .   ? 1.4307 1.2292 1.3616 0.0698  0.1128  0.1085  217 LMT A C3    
1344 C C4    . LMT R .   ? 1.3806 1.1543 1.3314 0.0589  0.1177  0.0878  217 LMT A C4    
1345 C C5    . LMT R .   ? 1.3470 1.1131 1.3062 0.0404  0.1266  0.0797  217 LMT A C5    
1346 C C6    . LMT R .   ? 1.3075 1.0728 1.2795 0.0280  0.1236  0.0510  217 LMT A C6    
1347 C C7    . LMT R .   ? 1.3007 1.0818 1.2744 0.0118  0.1250  0.0404  217 LMT A C7    
1348 C C8    . LMT R .   ? 1.3361 1.1013 1.3315 -0.0045 0.1338  0.0233  217 LMT A C8    
1349 C C9    . LMT R .   ? 1.3329 1.1260 1.3311 -0.0181 0.1301  0.0061  217 LMT A C9    
1350 C C10   . LMT R .   ? 1.3552 1.1428 1.3744 -0.0338 0.1346  -0.0172 217 LMT A C10   
1351 C C11   . LMT R .   ? 1.3460 1.1476 1.3639 -0.0293 0.1231  -0.0381 217 LMT A C11   
1352 C C12   . LMT R .   ? 1.3377 1.1615 1.3688 -0.0448 0.1221  -0.0626 217 LMT A C12   
1353 C C10   . PAM S .   ? 1.1909 1.4167 1.1766 0.0290  0.0459  -0.1571 218 PAM A C10   
1354 C C11   . PAM S .   ? 1.1925 1.3618 1.1732 0.0286  0.0500  -0.1463 218 PAM A C11   
1355 C C12   . PAM S .   ? 1.1896 1.3292 1.1813 0.0107  0.0523  -0.1609 218 PAM A C12   
1356 C C13   . PAM S .   ? 1.1689 1.2595 1.1541 0.0148  0.0551  -0.1505 218 PAM A C13   
1357 C C14   . PAM S .   ? 1.1795 1.2353 1.1761 -0.0005 0.0602  -0.1570 218 PAM A C14   
1358 C C15   . PAM S .   ? 1.1847 1.1982 1.1742 0.0063  0.0627  -0.1407 218 PAM A C15   
1359 C C16   . PAM S .   ? 1.2010 1.1824 1.1976 0.0014  0.0666  -0.1489 218 PAM A C16   
1360 C C1    . PAM T .   ? 1.3164 1.0683 1.5232 0.4810  0.2555  -0.0799 219 PAM A C1    
1361 O O1    . PAM T .   ? 1.3921 1.1160 1.6062 0.4931  0.2595  -0.0520 219 PAM A O1    
1362 O O2    . PAM T .   ? 1.3360 1.1036 1.5517 0.5005  0.2654  -0.0893 219 PAM A O2    
1363 C C2    . PAM T .   ? 1.1625 0.9258 1.3495 0.4439  0.2394  -0.0976 219 PAM A C2    
1364 C C3    . PAM T .   ? 1.1292 0.8534 1.3084 0.4238  0.2354  -0.0908 219 PAM A C3    
1365 C C4    . PAM T .   ? 1.0411 0.7942 1.2022 0.3914  0.2144  -0.0951 219 PAM A C4    
1366 C C5    . PAM T .   ? 0.9458 0.7368 1.1056 0.3909  0.1970  -0.0620 219 PAM A C5    
1367 C C6    . PAM T .   ? 0.9525 0.7191 1.1009 0.3677  0.1896  -0.0571 219 PAM A C6    
1368 C C7    . PAM T .   ? 0.8944 0.6819 1.0255 0.3364  0.1746  -0.0735 219 PAM A C7    
1369 C C8    . PAM T .   ? 0.9278 0.7101 1.0507 0.3214  0.1639  -0.0554 219 PAM A C8    
1370 C C9    . PAM T .   ? 0.9510 0.7633 1.0588 0.2960  0.1479  -0.0636 219 PAM A C9    
1371 C C10   . PAM T .   ? 0.9881 0.7999 1.0850 0.2768  0.1379  -0.0576 219 PAM A C10   
1372 C C11   . PAM T .   ? 1.0282 0.8120 1.1232 0.2725  0.1383  -0.0406 219 PAM A C11   
1373 C C12   . PAM T .   ? 0.9896 0.7950 1.0703 0.2506  0.1232  -0.0371 219 PAM A C12   
1374 C C13   . PAM T .   ? 1.0260 0.8279 1.1043 0.2527  0.1192  -0.0104 219 PAM A C13   
1375 C C14   . PAM T .   ? 1.0894 0.8445 1.1662 0.2431  0.1283  -0.0104 219 PAM A C14   
1376 C C15   . PAM T .   ? 1.0801 0.8392 1.1495 0.2398  0.1222  0.0141  219 PAM A C15   
1377 C C16   . PAM T .   ? 1.0698 0.7984 1.1331 0.2190  0.1258  0.0068  219 PAM A C16   
1378 C C1    . PLM U .   ? 0.6851 1.2967 0.9201 0.1080  0.0049  -0.0209 220 PLM A C1    
1379 C C2    . PLM U .   ? 0.6961 1.2806 0.9269 0.0767  0.0122  -0.0364 220 PLM A C2    
1380 C C3    . PLM U .   ? 0.7110 1.2244 0.9132 0.0758  0.0163  -0.0373 220 PLM A C3    
1381 C C4    . PLM U .   ? 0.7337 1.2164 0.9333 0.0495  0.0273  -0.0494 220 PLM A C4    
1382 C C5    . PLM U .   ? 0.7582 1.1760 0.9302 0.0511  0.0309  -0.0490 220 PLM A C5    
1383 C C6    . PLM U .   ? 0.7742 1.1628 0.9418 0.0257  0.0408  -0.0598 220 PLM A C6    
1384 C C7    . PLM U .   ? 0.7918 1.1321 0.9333 0.0239  0.0391  -0.0617 220 PLM A C7    
1385 C C8    . PLM U .   ? 0.8116 1.1414 0.9518 -0.0036 0.0433  -0.0753 220 PLM A C8    
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