data_9DA2
# 
_entry.id   9DA2 
# 
_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   9DA2         pdb_00009da2 10.2210/pdb9da2/pdb 
WWPDB D_1000287612 ?            ?                   
# 
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 2025-02-05 ? 
2 'Structure model' 1 1 2025-02-26 ? 
# 
_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' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
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'               
4 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9DA2 
_pdbx_database_status.recvd_initial_deposition_date   2024-08-21 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB 'CRYSTAL STRUCTURE OF HUMAN DNPH1 (RCL) WITH 6-NAPHTHYL-PURINE-RIBOSIDE-MONOPHOSPHATE' 4P5E unspecified 
PDB 'Crystal structure of human DNPH1 bound to hmdUMP'                                     8QHQ unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              agnidipta.ghosh@einsteinmed.edu 
_pdbx_contact_author.name_first         Agnidipta 
_pdbx_contact_author.name_last          Ghosh 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-7753-0240 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Wagner, A.G.'  1 0000-0003-4786-7747 
'Schramm, V.L.' 2 0000-0002-8056-1929 
'Almo, S.C.'    3 0000-0003-2591-5234 
'Ghosh, A.'     4 0000-0002-7753-0240 
# 
_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                3653 
_citation.page_last                 3672 
_citation.title                     'Transition State Analogs of Human DNPH1 Reveal Two Electrophile Migration Mechanisms.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acs.jmedchem.4c02778 
_citation.pdbx_database_id_PubMed   39818772 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Wagner, A.G.'         1  ? 
primary 'Lang, T.B.D.'         2  ? 
primary 'Ledingham, E.T.'      3  ? 
primary 'Ghosh, A.'            4  ? 
primary 'Brooks, D.'           5  ? 
primary 'Eskandari, R.'        6  ? 
primary 'Suthagar, K.'         7  ? 
primary 'Almo, S.C.'           8  ? 
primary 'Lamiable-Oulaidi, F.' 9  ? 
primary 'Tyler, P.C.'          10 ? 
primary 'Schramm, V.L.'        11 ? 
# 
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 '5-hydroxymethyl-dUMP N-hydrolase'                                                                        
16224.247 2   3.2.2.- ? ? ? 
2 non-polymer syn '1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione' 
356.198   2   ?       ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                                                                                            62.068 
7   ?       ? ? ? 
4 non-polymer syn 'DI(HYDROXYETHYL)ETHER'                                                                                   
106.120   1   ?       ? ? ? 
5 water       nat water                                                                                                     18.015 
219 ?       ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;2'-deoxynucleoside 5'-phosphate N-hydrolase 1,c-Myc-responsive protein RCL
;
# 
_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       
;SMRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQP
SLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADP
;
_entity_poly.pdbx_seq_one_letter_code_can   
;SMRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQP
SLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADP
;
_entity_poly.pdbx_strand_id                 A,B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione' A1BBC 
3 1,2-ETHANEDIOL                                                                                            EDO   
4 'DI(HYDROXYETHYL)ETHER'                                                                                   PEG   
5 water                                                                                                     HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   SER n 
1 2   MET n 
1 3   ARG n 
1 4   PRO n 
1 5   ALA n 
1 6   LEU n 
1 7   TYR n 
1 8   PHE n 
1 9   CYS n 
1 10  GLY n 
1 11  SER n 
1 12  ILE n 
1 13  ARG n 
1 14  GLY n 
1 15  GLY n 
1 16  ARG n 
1 17  GLU n 
1 18  ASP n 
1 19  ARG n 
1 20  THR n 
1 21  LEU n 
1 22  TYR n 
1 23  GLU n 
1 24  ARG n 
1 25  ILE n 
1 26  VAL n 
1 27  SER n 
1 28  ARG n 
1 29  LEU n 
1 30  ARG n 
1 31  ARG n 
1 32  PHE n 
1 33  GLY n 
1 34  THR n 
1 35  VAL n 
1 36  LEU n 
1 37  THR n 
1 38  GLU n 
1 39  HIS n 
1 40  VAL n 
1 41  ALA n 
1 42  ALA n 
1 43  ALA n 
1 44  GLU n 
1 45  LEU n 
1 46  GLY n 
1 47  ALA n 
1 48  ARG n 
1 49  GLY n 
1 50  GLU n 
1 51  GLU n 
1 52  ALA n 
1 53  ALA n 
1 54  GLY n 
1 55  GLY n 
1 56  ASP n 
1 57  ARG n 
1 58  LEU n 
1 59  ILE n 
1 60  HIS n 
1 61  GLU n 
1 62  GLN n 
1 63  ASP n 
1 64  LEU n 
1 65  GLU n 
1 66  TRP n 
1 67  LEU n 
1 68  GLN n 
1 69  GLN n 
1 70  ALA n 
1 71  ASP n 
1 72  VAL n 
1 73  VAL n 
1 74  VAL n 
1 75  ALA n 
1 76  GLU n 
1 77  VAL n 
1 78  THR n 
1 79  GLN n 
1 80  PRO n 
1 81  SER n 
1 82  LEU n 
1 83  GLY n 
1 84  VAL n 
1 85  GLY n 
1 86  TYR n 
1 87  GLU n 
1 88  LEU n 
1 89  GLY n 
1 90  ARG n 
1 91  ALA n 
1 92  VAL n 
1 93  ALA n 
1 94  PHE n 
1 95  ASN n 
1 96  LYS n 
1 97  ARG n 
1 98  ILE n 
1 99  LEU n 
1 100 CYS n 
1 101 LEU n 
1 102 PHE n 
1 103 ARG n 
1 104 PRO n 
1 105 GLN n 
1 106 SER n 
1 107 GLY n 
1 108 ARG n 
1 109 VAL n 
1 110 LEU n 
1 111 SER n 
1 112 ALA n 
1 113 MET n 
1 114 ILE n 
1 115 ARG n 
1 116 GLY n 
1 117 ALA n 
1 118 ALA n 
1 119 ASP n 
1 120 GLY n 
1 121 SER n 
1 122 ARG n 
1 123 PHE n 
1 124 GLN n 
1 125 VAL n 
1 126 TRP n 
1 127 ASP n 
1 128 TYR n 
1 129 GLU n 
1 130 GLU n 
1 131 GLY n 
1 132 GLU n 
1 133 VAL n 
1 134 GLU n 
1 135 ALA n 
1 136 LEU n 
1 137 LEU n 
1 138 ASP n 
1 139 ARG n 
1 140 TYR n 
1 141 PHE n 
1 142 GLU n 
1 143 ALA n 
1 144 ASP n 
1 145 PRO 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                   145 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'DNPH1, C6orf108, RCL' 
_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      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_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              pRIL 
_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          Plasmid 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   LIC 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       'pET-28a(+)' 
_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 
A1BBC non-polymer         . 
'1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione' ?                 
'C10 H14 F N2 O9 P' 356.198 
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 
EDO   non-polymer         . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2'          62.068  
GLN   'L-peptide linking' y GLUTAMINE ?                 'C5 H10 N2 O3'      146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ?                 'C5 H9 N O4'        147.129 
GLY   'peptide linking'   y GLYCINE ?                 'C2 H5 N O2'        75.067  
HIS   'L-peptide linking' y HISTIDINE ?                 'C6 H10 N3 O2 1'    156.162 
HOH   non-polymer         . WATER ?                 'H2 O'              18.015  
ILE   'L-peptide linking' y ISOLEUCINE ?                 'C6 H13 N O2'       131.173 
LEU   'L-peptide linking' y LEUCINE ?                 'C6 H13 N O2'       131.173 
LYS   'L-peptide linking' y LYSINE ?                 'C6 H15 N2 O2 1'    147.195 
MET   'L-peptide linking' y METHIONINE ?                 'C5 H11 N O2 S'     149.211 
PEG   non-polymer         . 'DI(HYDROXYETHYL)ETHER' ?                 'C4 H10 O3'         106.120 
PHE   'L-peptide linking' y PHENYLALANINE ?                 'C9 H11 N O2'       165.189 
PRO   'L-peptide linking' y PROLINE ?                 'C5 H9 N O2'        115.130 
SER   'L-peptide linking' y SERINE ?                 'C3 H7 N O3'        105.093 
THR   'L-peptide linking' y THREONINE ?                 'C4 H9 N O3'        119.119 
TRP   'L-peptide linking' y TRYPTOPHAN ?                 'C11 H12 N2 O2'     204.225 
TYR   'L-peptide linking' y TYROSINE ?                 'C9 H11 N O3'       181.189 
VAL   'L-peptide linking' y VALINE ?                 'C5 H11 N O2'       117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   SER 1   18  ?   ?   ?   A . n 
A 1 2   MET 2   19  ?   ?   ?   A . n 
A 1 3   ARG 3   20  20  ARG ARG A . n 
A 1 4   PRO 4   21  21  PRO PRO A . n 
A 1 5   ALA 5   22  22  ALA ALA A . n 
A 1 6   LEU 6   23  23  LEU LEU A . n 
A 1 7   TYR 7   24  24  TYR TYR A . n 
A 1 8   PHE 8   25  25  PHE PHE A . n 
A 1 9   CYS 9   26  26  CYS CYS A . n 
A 1 10  GLY 10  27  27  GLY GLY A . n 
A 1 11  SER 11  28  28  SER SER A . n 
A 1 12  ILE 12  29  29  ILE ILE A . n 
A 1 13  ARG 13  30  30  ARG ARG A . n 
A 1 14  GLY 14  31  31  GLY GLY A . n 
A 1 15  GLY 15  32  32  GLY GLY A . n 
A 1 16  ARG 16  33  33  ARG ARG A . n 
A 1 17  GLU 17  34  34  GLU GLU A . n 
A 1 18  ASP 18  35  35  ASP ASP A . n 
A 1 19  ARG 19  36  36  ARG ARG A . n 
A 1 20  THR 20  37  37  THR THR A . n 
A 1 21  LEU 21  38  38  LEU LEU A . n 
A 1 22  TYR 22  39  39  TYR TYR A . n 
A 1 23  GLU 23  40  40  GLU GLU A . n 
A 1 24  ARG 24  41  41  ARG ARG A . n 
A 1 25  ILE 25  42  42  ILE ILE A . n 
A 1 26  VAL 26  43  43  VAL VAL A . n 
A 1 27  SER 27  44  44  SER SER A . n 
A 1 28  ARG 28  45  45  ARG ARG A . n 
A 1 29  LEU 29  46  46  LEU LEU A . n 
A 1 30  ARG 30  47  47  ARG ARG A . n 
A 1 31  ARG 31  48  48  ARG ARG A . n 
A 1 32  PHE 32  49  49  PHE PHE A . n 
A 1 33  GLY 33  50  50  GLY GLY A . n 
A 1 34  THR 34  51  51  THR THR A . n 
A 1 35  VAL 35  52  52  VAL VAL A . n 
A 1 36  LEU 36  53  53  LEU LEU A . n 
A 1 37  THR 37  54  54  THR THR A . n 
A 1 38  GLU 38  55  ?   ?   ?   A . n 
A 1 39  HIS 39  56  ?   ?   ?   A . n 
A 1 40  VAL 40  57  ?   ?   ?   A . n 
A 1 41  ALA 41  58  ?   ?   ?   A . n 
A 1 42  ALA 42  59  ?   ?   ?   A . n 
A 1 43  ALA 43  60  ?   ?   ?   A . n 
A 1 44  GLU 44  61  ?   ?   ?   A . n 
A 1 45  LEU 45  62  ?   ?   ?   A . n 
A 1 46  GLY 46  63  ?   ?   ?   A . n 
A 1 47  ALA 47  64  ?   ?   ?   A . n 
A 1 48  ARG 48  65  ?   ?   ?   A . n 
A 1 49  GLY 49  66  ?   ?   ?   A . n 
A 1 50  GLU 50  67  ?   ?   ?   A . n 
A 1 51  GLU 51  68  ?   ?   ?   A . n 
A 1 52  ALA 52  69  ?   ?   ?   A . n 
A 1 53  ALA 53  70  ?   ?   ?   A . n 
A 1 54  GLY 54  71  71  GLY GLY A . n 
A 1 55  GLY 55  72  72  GLY GLY A . n 
A 1 56  ASP 56  73  73  ASP ASP A . n 
A 1 57  ARG 57  74  74  ARG ARG A . n 
A 1 58  LEU 58  75  75  LEU LEU A . n 
A 1 59  ILE 59  76  76  ILE ILE A . n 
A 1 60  HIS 60  77  77  HIS HIS A . n 
A 1 61  GLU 61  78  78  GLU GLU A . n 
A 1 62  GLN 62  79  79  GLN GLN A . n 
A 1 63  ASP 63  80  80  ASP ASP A . n 
A 1 64  LEU 64  81  81  LEU LEU A . n 
A 1 65  GLU 65  82  82  GLU GLU A . n 
A 1 66  TRP 66  83  83  TRP TRP A . n 
A 1 67  LEU 67  84  84  LEU LEU A . n 
A 1 68  GLN 68  85  85  GLN GLN A . n 
A 1 69  GLN 69  86  86  GLN GLN A . n 
A 1 70  ALA 70  87  87  ALA ALA A . n 
A 1 71  ASP 71  88  88  ASP ASP A . n 
A 1 72  VAL 72  89  89  VAL VAL A . n 
A 1 73  VAL 73  90  90  VAL VAL A . n 
A 1 74  VAL 74  91  91  VAL VAL A . n 
A 1 75  ALA 75  92  92  ALA ALA A . n 
A 1 76  GLU 76  93  93  GLU GLU A . n 
A 1 77  VAL 77  94  94  VAL VAL A . n 
A 1 78  THR 78  95  95  THR THR A . n 
A 1 79  GLN 79  96  96  GLN GLN A . n 
A 1 80  PRO 80  97  97  PRO PRO A . n 
A 1 81  SER 81  98  98  SER SER A . n 
A 1 82  LEU 82  99  99  LEU LEU A . n 
A 1 83  GLY 83  100 100 GLY GLY A . n 
A 1 84  VAL 84  101 101 VAL VAL A . n 
A 1 85  GLY 85  102 102 GLY GLY A . n 
A 1 86  TYR 86  103 103 TYR TYR A . n 
A 1 87  GLU 87  104 104 GLU GLU A . n 
A 1 88  LEU 88  105 105 LEU LEU A . n 
A 1 89  GLY 89  106 106 GLY GLY A . n 
A 1 90  ARG 90  107 107 ARG ARG A . n 
A 1 91  ALA 91  108 108 ALA ALA A . n 
A 1 92  VAL 92  109 109 VAL VAL A . n 
A 1 93  ALA 93  110 110 ALA ALA A . n 
A 1 94  PHE 94  111 111 PHE PHE A . n 
A 1 95  ASN 95  112 112 ASN ASN A . n 
A 1 96  LYS 96  113 113 LYS LYS A . n 
A 1 97  ARG 97  114 114 ARG ARG A . n 
A 1 98  ILE 98  115 115 ILE ILE A . n 
A 1 99  LEU 99  116 116 LEU LEU A . n 
A 1 100 CYS 100 117 117 CYS CYS A . n 
A 1 101 LEU 101 118 118 LEU LEU A . n 
A 1 102 PHE 102 119 119 PHE PHE A . n 
A 1 103 ARG 103 120 120 ARG ARG A . n 
A 1 104 PRO 104 121 121 PRO PRO A . n 
A 1 105 GLN 105 122 122 GLN GLN A . n 
A 1 106 SER 106 123 123 SER SER A . n 
A 1 107 GLY 107 124 124 GLY GLY A . n 
A 1 108 ARG 108 125 125 ARG ARG A . n 
A 1 109 VAL 109 126 126 VAL VAL A . n 
A 1 110 LEU 110 127 127 LEU LEU A . n 
A 1 111 SER 111 128 128 SER SER A . n 
A 1 112 ALA 112 129 129 ALA ALA A . n 
A 1 113 MET 113 130 130 MET MET A . n 
A 1 114 ILE 114 131 131 ILE ILE A . n 
A 1 115 ARG 115 132 132 ARG ARG A . n 
A 1 116 GLY 116 133 133 GLY GLY A . n 
A 1 117 ALA 117 134 134 ALA ALA A . n 
A 1 118 ALA 118 135 135 ALA ALA A . n 
A 1 119 ASP 119 136 136 ASP ASP A . n 
A 1 120 GLY 120 137 137 GLY GLY A . n 
A 1 121 SER 121 138 138 SER SER A . n 
A 1 122 ARG 122 139 139 ARG ARG A . n 
A 1 123 PHE 123 140 140 PHE PHE A . n 
A 1 124 GLN 124 141 141 GLN GLN A . n 
A 1 125 VAL 125 142 142 VAL VAL A . n 
A 1 126 TRP 126 143 143 TRP TRP A . n 
A 1 127 ASP 127 144 144 ASP ASP A . n 
A 1 128 TYR 128 145 145 TYR TYR A . n 
A 1 129 GLU 129 146 146 GLU GLU A . n 
A 1 130 GLU 130 147 147 GLU GLU A . n 
A 1 131 GLY 131 148 148 GLY GLY A . n 
A 1 132 GLU 132 149 149 GLU GLU A . n 
A 1 133 VAL 133 150 150 VAL VAL A . n 
A 1 134 GLU 134 151 151 GLU GLU A . n 
A 1 135 ALA 135 152 152 ALA ALA A . n 
A 1 136 LEU 136 153 153 LEU LEU A . n 
A 1 137 LEU 137 154 154 LEU LEU A . n 
A 1 138 ASP 138 155 155 ASP ASP A . n 
A 1 139 ARG 139 156 156 ARG ARG A . n 
A 1 140 TYR 140 157 157 TYR TYR A . n 
A 1 141 PHE 141 158 158 PHE PHE A . n 
A 1 142 GLU 142 159 159 GLU GLU A . n 
A 1 143 ALA 143 160 ?   ?   ?   A . n 
A 1 144 ASP 144 161 ?   ?   ?   A . n 
A 1 145 PRO 145 162 ?   ?   ?   A . n 
B 1 1   SER 1   18  ?   ?   ?   B . n 
B 1 2   MET 2   19  ?   ?   ?   B . n 
B 1 3   ARG 3   20  ?   ?   ?   B . n 
B 1 4   PRO 4   21  21  PRO PRO B . n 
B 1 5   ALA 5   22  22  ALA ALA B . n 
B 1 6   LEU 6   23  23  LEU LEU B . n 
B 1 7   TYR 7   24  24  TYR TYR B . n 
B 1 8   PHE 8   25  25  PHE PHE B . n 
B 1 9   CYS 9   26  26  CYS CYS B . n 
B 1 10  GLY 10  27  27  GLY GLY B . n 
B 1 11  SER 11  28  28  SER SER B . n 
B 1 12  ILE 12  29  29  ILE ILE B . n 
B 1 13  ARG 13  30  30  ARG ARG B . n 
B 1 14  GLY 14  31  31  GLY GLY B . n 
B 1 15  GLY 15  32  32  GLY GLY B . n 
B 1 16  ARG 16  33  33  ARG ARG B . n 
B 1 17  GLU 17  34  34  GLU GLU B . n 
B 1 18  ASP 18  35  35  ASP ASP B . n 
B 1 19  ARG 19  36  36  ARG ARG B . n 
B 1 20  THR 20  37  37  THR THR B . n 
B 1 21  LEU 21  38  38  LEU LEU B . n 
B 1 22  TYR 22  39  39  TYR TYR B . n 
B 1 23  GLU 23  40  40  GLU GLU B . n 
B 1 24  ARG 24  41  41  ARG ARG B . n 
B 1 25  ILE 25  42  42  ILE ILE B . n 
B 1 26  VAL 26  43  43  VAL VAL B . n 
B 1 27  SER 27  44  44  SER SER B . n 
B 1 28  ARG 28  45  45  ARG ARG B . n 
B 1 29  LEU 29  46  46  LEU LEU B . n 
B 1 30  ARG 30  47  47  ARG ARG B . n 
B 1 31  ARG 31  48  48  ARG ARG B . n 
B 1 32  PHE 32  49  49  PHE PHE B . n 
B 1 33  GLY 33  50  50  GLY GLY B . n 
B 1 34  THR 34  51  51  THR THR B . n 
B 1 35  VAL 35  52  52  VAL VAL B . n 
B 1 36  LEU 36  53  53  LEU LEU B . n 
B 1 37  THR 37  54  ?   ?   ?   B . n 
B 1 38  GLU 38  55  ?   ?   ?   B . n 
B 1 39  HIS 39  56  ?   ?   ?   B . n 
B 1 40  VAL 40  57  ?   ?   ?   B . n 
B 1 41  ALA 41  58  ?   ?   ?   B . n 
B 1 42  ALA 42  59  ?   ?   ?   B . n 
B 1 43  ALA 43  60  ?   ?   ?   B . n 
B 1 44  GLU 44  61  ?   ?   ?   B . n 
B 1 45  LEU 45  62  ?   ?   ?   B . n 
B 1 46  GLY 46  63  ?   ?   ?   B . n 
B 1 47  ALA 47  64  ?   ?   ?   B . n 
B 1 48  ARG 48  65  ?   ?   ?   B . n 
B 1 49  GLY 49  66  ?   ?   ?   B . n 
B 1 50  GLU 50  67  ?   ?   ?   B . n 
B 1 51  GLU 51  68  ?   ?   ?   B . n 
B 1 52  ALA 52  69  ?   ?   ?   B . n 
B 1 53  ALA 53  70  ?   ?   ?   B . n 
B 1 54  GLY 54  71  71  GLY GLY B . n 
B 1 55  GLY 55  72  72  GLY GLY B . n 
B 1 56  ASP 56  73  73  ASP ASP B . n 
B 1 57  ARG 57  74  74  ARG ARG B . n 
B 1 58  LEU 58  75  75  LEU LEU B . n 
B 1 59  ILE 59  76  76  ILE ILE B . n 
B 1 60  HIS 60  77  77  HIS HIS B . n 
B 1 61  GLU 61  78  78  GLU GLU B . n 
B 1 62  GLN 62  79  79  GLN GLN B . n 
B 1 63  ASP 63  80  80  ASP ASP B . n 
B 1 64  LEU 64  81  81  LEU LEU B . n 
B 1 65  GLU 65  82  82  GLU GLU B . n 
B 1 66  TRP 66  83  83  TRP TRP B . n 
B 1 67  LEU 67  84  84  LEU LEU B . n 
B 1 68  GLN 68  85  85  GLN GLN B . n 
B 1 69  GLN 69  86  86  GLN GLN B . n 
B 1 70  ALA 70  87  87  ALA ALA B . n 
B 1 71  ASP 71  88  88  ASP ASP B . n 
B 1 72  VAL 72  89  89  VAL VAL B . n 
B 1 73  VAL 73  90  90  VAL VAL B . n 
B 1 74  VAL 74  91  91  VAL VAL B . n 
B 1 75  ALA 75  92  92  ALA ALA B . n 
B 1 76  GLU 76  93  93  GLU GLU B . n 
B 1 77  VAL 77  94  94  VAL VAL B . n 
B 1 78  THR 78  95  95  THR THR B . n 
B 1 79  GLN 79  96  96  GLN GLN B . n 
B 1 80  PRO 80  97  97  PRO PRO B . n 
B 1 81  SER 81  98  98  SER SER B . n 
B 1 82  LEU 82  99  99  LEU LEU B . n 
B 1 83  GLY 83  100 100 GLY GLY B . n 
B 1 84  VAL 84  101 101 VAL VAL B . n 
B 1 85  GLY 85  102 102 GLY GLY B . n 
B 1 86  TYR 86  103 103 TYR TYR B . n 
B 1 87  GLU 87  104 104 GLU GLU B . n 
B 1 88  LEU 88  105 105 LEU LEU B . n 
B 1 89  GLY 89  106 106 GLY GLY B . n 
B 1 90  ARG 90  107 107 ARG ARG B . n 
B 1 91  ALA 91  108 108 ALA ALA B . n 
B 1 92  VAL 92  109 109 VAL VAL B . n 
B 1 93  ALA 93  110 110 ALA ALA B . n 
B 1 94  PHE 94  111 111 PHE PHE B . n 
B 1 95  ASN 95  112 112 ASN ASN B . n 
B 1 96  LYS 96  113 113 LYS LYS B . n 
B 1 97  ARG 97  114 114 ARG ARG B . n 
B 1 98  ILE 98  115 115 ILE ILE B . n 
B 1 99  LEU 99  116 116 LEU LEU B . n 
B 1 100 CYS 100 117 117 CYS CYS B . n 
B 1 101 LEU 101 118 118 LEU LEU B . n 
B 1 102 PHE 102 119 119 PHE PHE B . n 
B 1 103 ARG 103 120 120 ARG ARG B . n 
B 1 104 PRO 104 121 121 PRO PRO B . n 
B 1 105 GLN 105 122 122 GLN GLN B . n 
B 1 106 SER 106 123 123 SER SER B . n 
B 1 107 GLY 107 124 124 GLY GLY B . n 
B 1 108 ARG 108 125 125 ARG ARG B . n 
B 1 109 VAL 109 126 126 VAL VAL B . n 
B 1 110 LEU 110 127 127 LEU LEU B . n 
B 1 111 SER 111 128 128 SER SER B . n 
B 1 112 ALA 112 129 129 ALA ALA B . n 
B 1 113 MET 113 130 130 MET MET B . n 
B 1 114 ILE 114 131 131 ILE ILE B . n 
B 1 115 ARG 115 132 132 ARG ARG B . n 
B 1 116 GLY 116 133 133 GLY GLY B . n 
B 1 117 ALA 117 134 134 ALA ALA B . n 
B 1 118 ALA 118 135 135 ALA ALA B . n 
B 1 119 ASP 119 136 136 ASP ASP B . n 
B 1 120 GLY 120 137 137 GLY GLY B . n 
B 1 121 SER 121 138 138 SER SER B . n 
B 1 122 ARG 122 139 139 ARG ARG B . n 
B 1 123 PHE 123 140 140 PHE PHE B . n 
B 1 124 GLN 124 141 141 GLN GLN B . n 
B 1 125 VAL 125 142 142 VAL VAL B . n 
B 1 126 TRP 126 143 143 TRP TRP B . n 
B 1 127 ASP 127 144 144 ASP ASP B . n 
B 1 128 TYR 128 145 145 TYR TYR B . n 
B 1 129 GLU 129 146 146 GLU GLU B . n 
B 1 130 GLU 130 147 147 GLU GLU B . n 
B 1 131 GLY 131 148 148 GLY GLY B . n 
B 1 132 GLU 132 149 149 GLU GLU B . n 
B 1 133 VAL 133 150 150 VAL VAL B . n 
B 1 134 GLU 134 151 151 GLU GLU B . n 
B 1 135 ALA 135 152 152 ALA ALA B . n 
B 1 136 LEU 136 153 153 LEU LEU B . n 
B 1 137 LEU 137 154 154 LEU LEU B . n 
B 1 138 ASP 138 155 155 ASP ASP B . n 
B 1 139 ARG 139 156 156 ARG ARG B . n 
B 1 140 TYR 140 157 157 TYR TYR B . n 
B 1 141 PHE 141 158 158 PHE PHE B . n 
B 1 142 GLU 142 159 159 GLU GLU B . n 
B 1 143 ALA 143 160 ?   ?   ?   B . n 
B 1 144 ASP 144 161 ?   ?   ?   B . n 
B 1 145 PRO 145 162 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1BBC 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BBC 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 2 A1BBC 1   201 201 A1BBC 2FU A . 
D 3 EDO   1   202 202 EDO   EDO A . 
E 3 EDO   1   203 203 EDO   EDO A . 
F 3 EDO   1   204 204 EDO   EDO A . 
G 2 A1BBC 1   201 201 A1BBC 2FU B . 
H 3 EDO   1   202 202 EDO   EDO B . 
I 3 EDO   1   203 204 EDO   EDO B . 
J 3 EDO   1   204 206 EDO   EDO B . 
K 3 EDO   1   205 207 EDO   EDO B . 
L 4 PEG   1   206 208 PEG   PEG B . 
M 5 HOH   1   301 197 HOH   HOH A . 
M 5 HOH   2   302 211 HOH   HOH A . 
M 5 HOH   3   303 83  HOH   HOH A . 
M 5 HOH   4   304 169 HOH   HOH A . 
M 5 HOH   5   305 182 HOH   HOH A . 
M 5 HOH   6   306 198 HOH   HOH A . 
M 5 HOH   7   307 23  HOH   HOH A . 
M 5 HOH   8   308 102 HOH   HOH A . 
M 5 HOH   9   309 118 HOH   HOH A . 
M 5 HOH   10  310 68  HOH   HOH A . 
M 5 HOH   11  311 3   HOH   HOH A . 
M 5 HOH   12  312 147 HOH   HOH A . 
M 5 HOH   13  313 81  HOH   HOH A . 
M 5 HOH   14  314 63  HOH   HOH A . 
M 5 HOH   15  315 49  HOH   HOH A . 
M 5 HOH   16  316 110 HOH   HOH A . 
M 5 HOH   17  317 60  HOH   HOH A . 
M 5 HOH   18  318 140 HOH   HOH A . 
M 5 HOH   19  319 75  HOH   HOH A . 
M 5 HOH   20  320 79  HOH   HOH A . 
M 5 HOH   21  321 40  HOH   HOH A . 
M 5 HOH   22  322 47  HOH   HOH A . 
M 5 HOH   23  323 22  HOH   HOH A . 
M 5 HOH   24  324 129 HOH   HOH A . 
M 5 HOH   25  325 32  HOH   HOH A . 
M 5 HOH   26  326 82  HOH   HOH A . 
M 5 HOH   27  327 184 HOH   HOH A . 
M 5 HOH   28  328 11  HOH   HOH A . 
M 5 HOH   29  329 31  HOH   HOH A . 
M 5 HOH   30  330 44  HOH   HOH A . 
M 5 HOH   31  331 25  HOH   HOH A . 
M 5 HOH   32  332 67  HOH   HOH A . 
M 5 HOH   33  333 112 HOH   HOH A . 
M 5 HOH   34  334 54  HOH   HOH A . 
M 5 HOH   35  335 160 HOH   HOH A . 
M 5 HOH   36  336 5   HOH   HOH A . 
M 5 HOH   37  337 7   HOH   HOH A . 
M 5 HOH   38  338 170 HOH   HOH A . 
M 5 HOH   39  339 105 HOH   HOH A . 
M 5 HOH   40  340 149 HOH   HOH A . 
M 5 HOH   41  341 20  HOH   HOH A . 
M 5 HOH   42  342 203 HOH   HOH A . 
M 5 HOH   43  343 93  HOH   HOH A . 
M 5 HOH   44  344 6   HOH   HOH A . 
M 5 HOH   45  345 127 HOH   HOH A . 
M 5 HOH   46  346 45  HOH   HOH A . 
M 5 HOH   47  347 57  HOH   HOH A . 
M 5 HOH   48  348 186 HOH   HOH A . 
M 5 HOH   49  349 15  HOH   HOH A . 
M 5 HOH   50  350 86  HOH   HOH A . 
M 5 HOH   51  351 88  HOH   HOH A . 
M 5 HOH   52  352 17  HOH   HOH A . 
M 5 HOH   53  353 14  HOH   HOH A . 
M 5 HOH   54  354 195 HOH   HOH A . 
M 5 HOH   55  355 38  HOH   HOH A . 
M 5 HOH   56  356 36  HOH   HOH A . 
M 5 HOH   57  357 74  HOH   HOH A . 
M 5 HOH   58  358 64  HOH   HOH A . 
M 5 HOH   59  359 62  HOH   HOH A . 
M 5 HOH   60  360 137 HOH   HOH A . 
M 5 HOH   61  361 42  HOH   HOH A . 
M 5 HOH   62  362 191 HOH   HOH A . 
M 5 HOH   63  363 37  HOH   HOH A . 
M 5 HOH   64  364 161 HOH   HOH A . 
M 5 HOH   65  365 56  HOH   HOH A . 
M 5 HOH   66  366 167 HOH   HOH A . 
M 5 HOH   67  367 133 HOH   HOH A . 
M 5 HOH   68  368 2   HOH   HOH A . 
M 5 HOH   69  369 181 HOH   HOH A . 
M 5 HOH   70  370 138 HOH   HOH A . 
M 5 HOH   71  371 98  HOH   HOH A . 
M 5 HOH   72  372 142 HOH   HOH A . 
M 5 HOH   73  373 162 HOH   HOH A . 
M 5 HOH   74  374 139 HOH   HOH A . 
M 5 HOH   75  375 217 HOH   HOH A . 
M 5 HOH   76  376 107 HOH   HOH A . 
M 5 HOH   77  377 65  HOH   HOH A . 
M 5 HOH   78  378 35  HOH   HOH A . 
M 5 HOH   79  379 59  HOH   HOH A . 
M 5 HOH   80  380 18  HOH   HOH A . 
M 5 HOH   81  381 219 HOH   HOH A . 
M 5 HOH   82  382 204 HOH   HOH A . 
M 5 HOH   83  383 128 HOH   HOH A . 
M 5 HOH   84  384 58  HOH   HOH A . 
M 5 HOH   85  385 76  HOH   HOH A . 
M 5 HOH   86  386 171 HOH   HOH A . 
M 5 HOH   87  387 156 HOH   HOH A . 
M 5 HOH   88  388 66  HOH   HOH A . 
M 5 HOH   89  389 100 HOH   HOH A . 
M 5 HOH   90  390 165 HOH   HOH A . 
M 5 HOH   91  391 189 HOH   HOH A . 
M 5 HOH   92  392 130 HOH   HOH A . 
M 5 HOH   93  393 200 HOH   HOH A . 
M 5 HOH   94  394 172 HOH   HOH A . 
M 5 HOH   95  395 78  HOH   HOH A . 
M 5 HOH   96  396 166 HOH   HOH A . 
M 5 HOH   97  397 124 HOH   HOH A . 
M 5 HOH   98  398 164 HOH   HOH A . 
M 5 HOH   99  399 158 HOH   HOH A . 
M 5 HOH   100 400 148 HOH   HOH A . 
M 5 HOH   101 401 96  HOH   HOH A . 
M 5 HOH   102 402 143 HOH   HOH A . 
M 5 HOH   103 403 185 HOH   HOH A . 
M 5 HOH   104 404 77  HOH   HOH A . 
M 5 HOH   105 405 116 HOH   HOH A . 
M 5 HOH   106 406 69  HOH   HOH A . 
M 5 HOH   107 407 193 HOH   HOH A . 
M 5 HOH   108 408 97  HOH   HOH A . 
M 5 HOH   109 409 123 HOH   HOH A . 
M 5 HOH   110 410 201 HOH   HOH A . 
M 5 HOH   111 411 150 HOH   HOH A . 
M 5 HOH   112 412 155 HOH   HOH A . 
M 5 HOH   113 413 121 HOH   HOH A . 
M 5 HOH   114 414 30  HOH   HOH A . 
M 5 HOH   115 415 215 HOH   HOH A . 
M 5 HOH   116 416 179 HOH   HOH A . 
M 5 HOH   117 417 144 HOH   HOH A . 
N 5 HOH   1   301 205 HOH   HOH B . 
N 5 HOH   2   302 50  HOH   HOH B . 
N 5 HOH   3   303 106 HOH   HOH B . 
N 5 HOH   4   304 153 HOH   HOH B . 
N 5 HOH   5   305 183 HOH   HOH B . 
N 5 HOH   6   306 180 HOH   HOH B . 
N 5 HOH   7   307 21  HOH   HOH B . 
N 5 HOH   8   308 72  HOH   HOH B . 
N 5 HOH   9   309 194 HOH   HOH B . 
N 5 HOH   10  310 28  HOH   HOH B . 
N 5 HOH   11  311 159 HOH   HOH B . 
N 5 HOH   12  312 84  HOH   HOH B . 
N 5 HOH   13  313 141 HOH   HOH B . 
N 5 HOH   14  314 87  HOH   HOH B . 
N 5 HOH   15  315 187 HOH   HOH B . 
N 5 HOH   16  316 26  HOH   HOH B . 
N 5 HOH   17  317 163 HOH   HOH B . 
N 5 HOH   18  318 104 HOH   HOH B . 
N 5 HOH   19  319 85  HOH   HOH B . 
N 5 HOH   20  320 91  HOH   HOH B . 
N 5 HOH   21  321 70  HOH   HOH B . 
N 5 HOH   22  322 178 HOH   HOH B . 
N 5 HOH   23  323 34  HOH   HOH B . 
N 5 HOH   24  324 152 HOH   HOH B . 
N 5 HOH   25  325 113 HOH   HOH B . 
N 5 HOH   26  326 10  HOH   HOH B . 
N 5 HOH   27  327 90  HOH   HOH B . 
N 5 HOH   28  328 157 HOH   HOH B . 
N 5 HOH   29  329 125 HOH   HOH B . 
N 5 HOH   30  330 9   HOH   HOH B . 
N 5 HOH   31  331 71  HOH   HOH B . 
N 5 HOH   32  332 108 HOH   HOH B . 
N 5 HOH   33  333 120 HOH   HOH B . 
N 5 HOH   34  334 8   HOH   HOH B . 
N 5 HOH   35  335 51  HOH   HOH B . 
N 5 HOH   36  336 1   HOH   HOH B . 
N 5 HOH   37  337 4   HOH   HOH B . 
N 5 HOH   38  338 39  HOH   HOH B . 
N 5 HOH   39  339 61  HOH   HOH B . 
N 5 HOH   40  340 52  HOH   HOH B . 
N 5 HOH   41  341 16  HOH   HOH B . 
N 5 HOH   42  342 55  HOH   HOH B . 
N 5 HOH   43  343 207 HOH   HOH B . 
N 5 HOH   44  344 190 HOH   HOH B . 
N 5 HOH   45  345 199 HOH   HOH B . 
N 5 HOH   46  346 46  HOH   HOH B . 
N 5 HOH   47  347 33  HOH   HOH B . 
N 5 HOH   48  348 218 HOH   HOH B . 
N 5 HOH   49  349 145 HOH   HOH B . 
N 5 HOH   50  350 53  HOH   HOH B . 
N 5 HOH   51  351 73  HOH   HOH B . 
N 5 HOH   52  352 27  HOH   HOH B . 
N 5 HOH   53  353 213 HOH   HOH B . 
N 5 HOH   54  354 80  HOH   HOH B . 
N 5 HOH   55  355 176 HOH   HOH B . 
N 5 HOH   56  356 196 HOH   HOH B . 
N 5 HOH   57  357 24  HOH   HOH B . 
N 5 HOH   58  358 202 HOH   HOH B . 
N 5 HOH   59  359 115 HOH   HOH B . 
N 5 HOH   60  360 29  HOH   HOH B . 
N 5 HOH   61  361 48  HOH   HOH B . 
N 5 HOH   62  362 43  HOH   HOH B . 
N 5 HOH   63  363 109 HOH   HOH B . 
N 5 HOH   64  364 122 HOH   HOH B . 
N 5 HOH   65  365 134 HOH   HOH B . 
N 5 HOH   66  366 12  HOH   HOH B . 
N 5 HOH   67  367 209 HOH   HOH B . 
N 5 HOH   68  368 19  HOH   HOH B . 
N 5 HOH   69  369 103 HOH   HOH B . 
N 5 HOH   70  370 13  HOH   HOH B . 
N 5 HOH   71  371 101 HOH   HOH B . 
N 5 HOH   72  372 95  HOH   HOH B . 
N 5 HOH   73  373 151 HOH   HOH B . 
N 5 HOH   74  374 41  HOH   HOH B . 
N 5 HOH   75  375 131 HOH   HOH B . 
N 5 HOH   76  376 136 HOH   HOH B . 
N 5 HOH   77  377 119 HOH   HOH B . 
N 5 HOH   78  378 111 HOH   HOH B . 
N 5 HOH   79  379 92  HOH   HOH B . 
N 5 HOH   80  380 173 HOH   HOH B . 
N 5 HOH   81  381 132 HOH   HOH B . 
N 5 HOH   82  382 188 HOH   HOH B . 
N 5 HOH   83  383 99  HOH   HOH B . 
N 5 HOH   84  384 216 HOH   HOH B . 
N 5 HOH   85  385 214 HOH   HOH B . 
N 5 HOH   86  386 89  HOH   HOH B . 
N 5 HOH   87  387 135 HOH   HOH B . 
N 5 HOH   88  388 154 HOH   HOH B . 
N 5 HOH   89  389 206 HOH   HOH B . 
N 5 HOH   90  390 114 HOH   HOH B . 
N 5 HOH   91  391 210 HOH   HOH B . 
N 5 HOH   92  392 208 HOH   HOH B . 
N 5 HOH   93  393 126 HOH   HOH B . 
N 5 HOH   94  394 177 HOH   HOH B . 
N 5 HOH   95  395 174 HOH   HOH B . 
N 5 HOH   96  396 146 HOH   HOH B . 
N 5 HOH   97  397 94  HOH   HOH B . 
N 5 HOH   98  398 192 HOH   HOH B . 
N 5 HOH   99  399 175 HOH   HOH B . 
N 5 HOH   100 400 117 HOH   HOH B . 
N 5 HOH   101 401 168 HOH   HOH B . 
N 5 HOH   102 402 212 HOH   HOH B . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement     ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? 1.20 1 
? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .    2 
? phasing        ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .    3 
# 
_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                     9DA2 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     60.538 
_cell.length_a_esd                 ? 
_cell.length_b                     64.768 
_cell.length_b_esd                 ? 
_cell.length_c                     128.758 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        16 
_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                         9DA2 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                20 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'C 2 2 21' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9DA2 
_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             1.94 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          36.75 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              6.0 
_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    '20% (w/v) PEG 3350 and 0.2 M Magnesium sulfate' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            292 
# 
_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 EIGER X 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-12-13 
_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   0.92 
_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                        'NSLS-II BEAMLINE 17-ID-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.92 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   17-ID-1 
_diffrn_source.pdbx_synchrotron_site       NSLS-II 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9DA2 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.13 
_reflns.d_resolution_low                               29.47 
_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                                     94224 
_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                           99.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                7.1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          14.5 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.96 
_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                                0.067 
_reflns.pdbx_Rpim_I_all                                0.024 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       671663 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.997 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.062 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.13 
_reflns_shell.d_res_low                                     1.15 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           19562 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             4483 
_reflns_shell.percent_possible_obs                          97.4 
_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                               4.4 
_reflns_shell.pdbx_chi_squared                              0.91 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     1.9 
_reflns_shell.pdbx_Rrim_I_all                               0.741 
_reflns_shell.pdbx_Rpim_I_all                               0.344 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.794 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.653 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9DA2 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.13 
_refine.ls_d_res_low                             29.47 
_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                     94152 
_refine.ls_number_reflns_R_free                  4797 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.73 
_refine.ls_percent_reflns_R_free                 5.09 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1670 
_refine.ls_R_factor_R_free                       0.1843 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1661 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 18.14 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.10 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1976 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         81 
_refine_hist.number_atoms_solvent             219 
_refine_hist.number_atoms_total               2276 
_refine_hist.d_res_high                       1.13 
_refine_hist.d_res_low                        29.47 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.009 ? ?   ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.386 ? ?   ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 8.920 ? 308 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.078 ? 302 ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.017 ? 365 ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.13 1.14  . . 148 2853 96.00  . . . . 0.2581 . . . . . . . . . . . 0.2553 
'X-RAY DIFFRACTION' 1.14 1.16  . . 155 2909 99.00  . . . . 0.2381 . . . . . . . . . . . 0.2595 
'X-RAY DIFFRACTION' 1.16 1.17  . . 171 2933 99.00  . . . . 0.2248 . . . . . . . . . . . 0.2411 
'X-RAY DIFFRACTION' 1.17 1.19  . . 161 2900 100.00 . . . . 0.2259 . . . . . . . . . . . 0.2351 
'X-RAY DIFFRACTION' 1.19 1.20  . . 170 2980 100.00 . . . . 0.2191 . . . . . . . . . . . 0.2059 
'X-RAY DIFFRACTION' 1.20 1.22  . . 155 2916 100.00 . . . . 0.2124 . . . . . . . . . . . 0.2383 
'X-RAY DIFFRACTION' 1.22 1.24  . . 170 2978 100.00 . . . . 0.2077 . . . . . . . . . . . 0.2213 
'X-RAY DIFFRACTION' 1.24 1.25  . . 181 2905 100.00 . . . . 0.2044 . . . . . . . . . . . 0.1936 
'X-RAY DIFFRACTION' 1.25 1.27  . . 151 2993 100.00 . . . . 0.1940 . . . . . . . . . . . 0.1917 
'X-RAY DIFFRACTION' 1.27 1.29  . . 147 2970 100.00 . . . . 0.1900 . . . . . . . . . . . 0.1961 
'X-RAY DIFFRACTION' 1.29 1.32  . . 151 2969 100.00 . . . . 0.1881 . . . . . . . . . . . 0.1870 
'X-RAY DIFFRACTION' 1.32 1.34  . . 157 2988 100.00 . . . . 0.1761 . . . . . . . . . . . 0.1630 
'X-RAY DIFFRACTION' 1.34 1.37  . . 142 2928 100.00 . . . . 0.1732 . . . . . . . . . . . 0.1803 
'X-RAY DIFFRACTION' 1.37 1.39  . . 131 3040 100.00 . . . . 0.1745 . . . . . . . . . . . 0.1998 
'X-RAY DIFFRACTION' 1.39 1.42  . . 164 2949 100.00 . . . . 0.1759 . . . . . . . . . . . 0.1687 
'X-RAY DIFFRACTION' 1.42 1.46  . . 162 2978 100.00 . . . . 0.1744 . . . . . . . . . . . 0.1764 
'X-RAY DIFFRACTION' 1.46 1.49  . . 153 2975 100.00 . . . . 0.1745 . . . . . . . . . . . 0.1725 
'X-RAY DIFFRACTION' 1.49 1.53  . . 158 2993 100.00 . . . . 0.1627 . . . . . . . . . . . 0.1946 
'X-RAY DIFFRACTION' 1.54 1.58  . . 136 3020 100.00 . . . . 0.1587 . . . . . . . . . . . 0.1687 
'X-RAY DIFFRACTION' 1.58 1.63  . . 156 2956 100.00 . . . . 0.1552 . . . . . . . . . . . 0.1697 
'X-RAY DIFFRACTION' 1.63 1.69  . . 147 2982 100.00 . . . . 0.1572 . . . . . . . . . . . 0.1607 
'X-RAY DIFFRACTION' 1.69 1.76  . . 157 3005 100.00 . . . . 0.1580 . . . . . . . . . . . 0.1755 
'X-RAY DIFFRACTION' 1.76 1.84  . . 185 2974 100.00 . . . . 0.1582 . . . . . . . . . . . 0.1602 
'X-RAY DIFFRACTION' 1.84 1.93  . . 157 3006 100.00 . . . . 0.1587 . . . . . . . . . . . 0.1950 
'X-RAY DIFFRACTION' 1.93 2.05  . . 164 2977 100.00 . . . . 0.1558 . . . . . . . . . . . 0.1864 
'X-RAY DIFFRACTION' 2.06 2.21  . . 160 3048 100.00 . . . . 0.1507 . . . . . . . . . . . 0.1731 
'X-RAY DIFFRACTION' 2.21 2.44  . . 151 3014 100.00 . . . . 0.1562 . . . . . . . . . . . 0.1674 
'X-RAY DIFFRACTION' 2.44 2.79  . . 177 3029 100.00 . . . . 0.1594 . . . . . . . . . . . 0.1747 
'X-RAY DIFFRACTION' 2.79 3.51  . . 208 3009 100.00 . . . . 0.1595 . . . . . . . . . . . 0.1931 
'X-RAY DIFFRACTION' 3.51 29.47 . . 172 3178 100.00 . . . . 0.1665 . . . . . . . . . . . 0.1872 
# 
_struct.entry_id                     9DA2 
_struct.title                        'Crystal structure of human DNPH1 bound to inhibitor 1b' 
_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        9DA2 
_struct_keywords.text            'Inhibitor, Complex, HYDROLASE, HYDROLASE-INHIBITOR complex' 
_struct_keywords.pdbx_keywords   HYDROLASE/INHIBITOR 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 1 ? 
C N N 2 ? 
D N N 3 ? 
E N N 3 ? 
F N N 3 ? 
G N N 2 ? 
H N N 3 ? 
I N N 3 ? 
J N N 3 ? 
K N N 3 ? 
L N N 4 ? 
M N N 5 ? 
N N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    DNPH1_HUMAN 
_struct_ref.pdbx_db_accession          O43598 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;RPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSL
GVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADP
;
_struct_ref.pdbx_align_begin           20 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9DA2 A 3 ? 145 ? O43598 20 ? 162 ? 20 162 
2 1 9DA2 B 3 ? 145 ? O43598 20 ? 162 ? 20 162 
# 
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 9DA2 SER A 1 ? UNP O43598 ? ? 'expression tag' 18 1 
1 9DA2 MET A 2 ? UNP O43598 ? ? 'expression tag' 19 2 
2 9DA2 SER B 1 ? UNP O43598 ? ? 'expression tag' 18 3 
2 9DA2 MET B 2 ? UNP O43598 ? ? 'expression tag' 19 4 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
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)' 5180  ? 
1 MORE         -22   ? 
1 'SSA (A^2)'  11190 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K,L,M,N 
# 
_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                'Superdes S200' 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1  AA1 ASP A 18  ? GLY A 33  ? ASP A 35  GLY A 50  1 ? 16 
HELX_P HELX_P2  AA2 GLY A 55  ? ALA A 70  ? GLY A 72  ALA A 87  1 ? 16 
HELX_P HELX_P3  AA3 SER A 81  ? PHE A 94  ? SER A 98  PHE A 111 1 ? 14 
HELX_P HELX_P4  AA4 ARG A 103 ? GLY A 107 ? ARG A 120 GLY A 124 5 ? 5  
HELX_P HELX_P5  AA5 SER A 111 ? GLY A 116 ? SER A 128 GLY A 133 1 ? 6  
HELX_P HELX_P6  AA6 GLU A 129 ? GLY A 131 ? GLU A 146 GLY A 148 5 ? 3  
HELX_P HELX_P7  AA7 GLU A 132 ? GLU A 142 ? GLU A 149 GLU A 159 1 ? 11 
HELX_P HELX_P8  AA8 ASP B 18  ? ARG B 30  ? ASP B 35  ARG B 47  1 ? 13 
HELX_P HELX_P9  AA9 GLY B 55  ? ALA B 70  ? GLY B 72  ALA B 87  1 ? 16 
HELX_P HELX_P10 AB1 SER B 81  ? PHE B 94  ? SER B 98  PHE B 111 1 ? 14 
HELX_P HELX_P11 AB2 ARG B 103 ? GLY B 107 ? ARG B 120 GLY B 124 5 ? 5  
HELX_P HELX_P12 AB3 SER B 111 ? ALA B 118 ? SER B 128 ALA B 135 1 ? 8  
HELX_P HELX_P13 AB4 GLU B 129 ? GLY B 131 ? GLU B 146 GLY B 148 5 ? 3  
HELX_P HELX_P14 AB5 GLU B 132 ? PHE B 141 ? GLU B 149 PHE B 158 1 ? 10 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 5 ? 
AA2 ? 5 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? parallel 
AA1 2 3 ? parallel 
AA1 3 4 ? parallel 
AA1 4 5 ? parallel 
AA2 1 2 ? parallel 
AA2 2 3 ? parallel 
AA2 3 4 ? parallel 
AA2 4 5 ? parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 THR A 34  ? VAL A 35  ? THR A 51  VAL A 52  
AA1 2 ALA A 5   ? CYS A 9   ? ALA A 22  CYS A 26  
AA1 3 VAL A 72  ? GLU A 76  ? VAL A 89  GLU A 93  
AA1 4 ARG A 97  ? PHE A 102 ? ARG A 114 PHE A 119 
AA1 5 PHE A 123 ? ASP A 127 ? PHE A 140 ASP A 144 
AA2 1 THR B 34  ? VAL B 35  ? THR B 51  VAL B 52  
AA2 2 ALA B 5   ? CYS B 9   ? ALA B 22  CYS B 26  
AA2 3 VAL B 72  ? GLU B 76  ? VAL B 89  GLU B 93  
AA2 4 ARG B 97  ? PHE B 102 ? ARG B 114 PHE B 119 
AA2 5 PHE B 123 ? ASP B 127 ? PHE B 140 ASP B 144 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 O THR A 34  ? O THR A 51  N LEU A 6   ? N LEU A 23  
AA1 2 3 N TYR A 7   ? N TYR A 24  O VAL A 74  ? O VAL A 91  
AA1 3 4 N VAL A 73  ? N VAL A 90  O LEU A 99  ? O LEU A 116 
AA1 4 5 N CYS A 100 ? N CYS A 117 O TRP A 126 ? O TRP A 143 
AA2 1 2 O THR B 34  ? O THR B 51  N LEU B 6   ? N LEU B 23  
AA2 2 3 N TYR B 7   ? N TYR B 24  O VAL B 74  ? O VAL B 91  
AA2 3 4 N VAL B 73  ? N VAL B 90  O ARG B 97  ? O ARG B 114 
AA2 4 5 N CYS B 100 ? N CYS B 117 O GLN B 124 ? O GLN B 141 
# 
_pdbx_entry_details.entry_id                   9DA2 
_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 ILE A 29  ? ? -122.86 -73.50 
2 1 SER A 128 ? ? -34.83  132.13 
3 1 SER A 138 ? ? -132.44 -74.59 
4 1 ILE B 29  ? ? -122.18 -73.83 
5 1 SER B 128 ? ? -34.07  130.45 
6 1 SER B 138 ? ? -129.07 -82.05 
# 
loop_
_pdbx_validate_planes.id 
_pdbx_validate_planes.PDB_model_num 
_pdbx_validate_planes.auth_comp_id 
_pdbx_validate_planes.auth_asym_id 
_pdbx_validate_planes.auth_seq_id 
_pdbx_validate_planes.PDB_ins_code 
_pdbx_validate_planes.label_alt_id 
_pdbx_validate_planes.rmsd 
_pdbx_validate_planes.type 
1 1 ARG A 114 ? ? 0.240 'SIDE CHAIN' 
2 1 ARG B 74  ? ? 0.096 'SIDE CHAIN' 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 359 ? M HOH . 
2 1 A HOH 393 ? M HOH . 
3 1 B HOH 342 ? N HOH . 
4 1 B HOH 386 ? N HOH . 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1  'X-RAY DIFFRACTION' ? refined -25.9766 -41.6904 -18.1169 0.3234 ? -0.0277 ? 0.0212  ? 0.1943 ? -0.0758 ? 0.3965 ? 4.1976 ? 
0.6194  ? 2.7373  ? 4.6948 ? 0.2063  ? 3.3753 ? 0.0705  ? -0.1260 ? -0.7469 ? 0.3945  ? 0.0868  ? 0.1151  ? 1.0150  ? -0.1433 ? 
-0.2753 ? 
2  'X-RAY DIFFRACTION' ? refined -20.8031 -5.3668  -6.4049  0.1398 ? 0.0023  ? 0.0151  ? 0.1227 ? -0.0138 ? 0.0975 ? 1.1061 ? 
0.5862  ? 0.7736  ? 3.5098 ? 0.1833  ? 2.0215 ? -0.0700 ? -0.0004 ? 0.0668  ? 0.0986  ? 0.0474  ? 0.1646  ? -0.2626 ? -0.0160 ? 
0.0013  ? 
3  'X-RAY DIFFRACTION' ? refined -28.5669 -1.0606  -10.0398 0.2915 ? 0.0305  ? 0.0294  ? 0.2427 ? -0.0031 ? 0.1808 ? 9.1795 ? 
6.5753  ? 3.2831  ? 9.6958 ? 2.9473  ? 3.5862 ? -0.1779 ? -0.4355 ? 0.0345  ? 0.0089  ? -0.3865 ? 0.3557  ? 0.1282  ? -0.1183 ? 
0.5785  ? 
4  'X-RAY DIFFRACTION' ? refined -30.9407 -10.7707 -14.0323 0.1341 ? 0.0256  ? 0.0217  ? 0.1490 ? -0.0270 ? 0.1783 ? 3.2058 ? 
-0.1556 ? 0.4269  ? 3.8282 ? -0.6137 ? 2.2034 ? -0.0779 ? 0.1432  ? -0.1448 ? -0.0107 ? 0.1220  ? 0.6588  ? -0.0415 ? -0.2940 ? 
-0.0549 ? 
5  'X-RAY DIFFRACTION' ? refined -21.0026 -11.5135 -18.0192 0.1262 ? 0.0031  ? 0.0127  ? 0.1146 ? -0.0129 ? 0.0657 ? 2.8399 ? 
0.2435  ? 0.9609  ? 3.4965 ? -0.2981 ? 2.8608 ? -0.0391 ? 0.1677  ? 0.0804  ? -0.3194 ? 0.0720  ? 0.0796  ? -0.2018 ? -0.0507 ? 
-0.0297 ? 
6  'X-RAY DIFFRACTION' ? refined -10.6593 -9.3526  -18.1424 0.1475 ? -0.0431 ? 0.0607  ? 0.1677 ? -0.0129 ? 0.1403 ? 2.8146 ? 
0.6739  ? 0.4550  ? 4.1687 ? 1.0809  ? 3.5618 ? -0.0588 ? 0.1130  ? 0.0876  ? -0.4280 ? 0.0676  ? -0.3380 ? -0.2709 ? 0.1404  ? 
0.0032  ? 
7  'X-RAY DIFFRACTION' ? refined -13.0737 3.5262   -12.1798 0.3289 ? -0.0790 ? 0.0790  ? 0.1436 ? -0.0306 ? 0.1718 ? 5.6692 ? 
-1.1142 ? 2.6607  ? 5.3597 ? -4.4936 ? 8.0983 ? -0.0704 ? 0.1859  ? 0.3613  ? -0.3886 ? 0.1738  ? -0.5064 ? -0.6085 ? 0.6020  ? 
0.0345  ? 
8  'X-RAY DIFFRACTION' ? refined -20.7198 -31.3329 -26.5990 0.2096 ? 0.0053  ? 0.0048  ? 0.2174 ? -0.1009 ? 0.2309 ? 5.3351 ? 
3.6934  ? 5.4957  ? 5.1168 ? 4.4168  ? 8.3829 ? -0.1849 ? 0.5006  ? -0.5480 ? -0.6474 ? 0.1659  ? 0.1362  ? -0.4114 ? 0.3436  ? 
-0.0146 ? 
9  'X-RAY DIFFRACTION' ? refined -10.2965 -26.9911 -14.6836 0.1122 ? 0.0136  ? 0.0201  ? 0.1818 ? -0.0165 ? 0.1802 ? 1.8631 ? 
0.8147  ? 0.8788  ? 7.6237 ? -1.4195 ? 0.9620 ? -0.0290 ? 0.0290  ? -0.3026 ? 0.0244  ? -0.0238 ? -0.4155 ? 0.0603  ? 0.1626  ? 
0.0707  ? 
10 'X-RAY DIFFRACTION' ? refined -15.4336 -39.0266 -20.7833 0.2466 ? 0.0418  ? 0.0695  ? 0.1887 ? -0.0925 ? 0.3670 ? 3.4765 ? 
2.7764  ? 4.7928  ? 5.6766 ? 3.9391  ? 8.0609 ? 0.1786  ? 0.3601  ? -0.5889 ? -0.1541 ? -0.1646 ? -0.0103 ? 0.6551  ? 0.1218  ? 
0.0143  ? 
11 'X-RAY DIFFRACTION' ? refined -18.7557 -34.5183 -30.3906 0.3010 ? 0.0295  ? 0.0539  ? 0.3279 ? -0.1076 ? 0.4881 ? 3.4091 ? 
1.6073  ? -2.4467 ? 2.2265 ? -2.4079 ? 4.3979 ? -0.3350 ? 0.1737  ? -0.3371 ? -0.6141 ? -0.2492 ? -0.8083 ? 0.5487  ? 0.0353  ? 
0.4925  ? 
12 'X-RAY DIFFRACTION' ? refined -14.7643 -19.6207 -30.6314 0.3562 ? 0.0100  ? 0.0637  ? 0.3355 ? -0.0573 ? 0.1481 ? 6.5814 ? 
2.1472  ? 0.4180  ? 2.9462 ? -0.6481 ? 1.7367 ? 0.2232  ? 1.0121  ? -0.1612 ? -0.6446 ? 0.1585  ? -0.2233 ? -0.2235 ? 0.3267  ? 
-0.3215 ? 
13 'X-RAY DIFFRACTION' ? refined -21.7594 -24.5391 -21.0125 0.1109 ? 0.0016  ? -0.0060 ? 0.1451 ? -0.0356 ? 0.1073 ? 1.8176 ? 
0.1592  ? 0.1525  ? 2.6355 ? 0.3089  ? 1.6694 ? -0.0064 ? 0.2784  ? -0.1668 ? -0.2956 ? 0.0033  ? 0.1056  ? -0.0962 ? 0.0501  ? 
0.0072  ? 
14 'X-RAY DIFFRACTION' ? refined -27.5722 -28.0371 -21.9364 0.1302 ? -0.0113 ? -0.0323 ? 0.1595 ? -0.0482 ? 0.1679 ? 1.9963 ? 
-0.5716 ? 1.5650  ? 3.7426 ? -2.3502 ? 7.7377 ? -0.0431 ? 0.2288  ? -0.2359 ? -0.3926 ? 0.0132  ? 0.2705  ? -0.0801 ? -0.2496 ? 
0.0045  ? 
15 'X-RAY DIFFRACTION' ? refined -23.9945 -26.9628 -7.5998  0.0936 ? -0.0139 ? 0.0105  ? 0.1220 ? 0.0029  ? 0.1522 ? 2.2276 ? 
-1.7437 ? 0.9135  ? 4.4427 ? -1.9819 ? 3.6275 ? -0.0485 ? -0.0646 ? -0.1145 ? 0.1179  ? -0.0409 ? 0.0759  ? 0.0114  ? 0.0016  ? 
0.0715  ? 
16 'X-RAY DIFFRACTION' ? refined -30.8577 -31.9785 -15.6517 0.1000 ? -0.0356 ? -0.0067 ? 0.1348 ? -0.0317 ? 0.2090 ? 4.9055 ? 
0.2605  ? -0.8799 ? 3.6584 ? 2.2772  ? 2.2086 ? 0.0372  ? 0.1131  ? -0.2653 ? -0.1114 ? -0.1125 ? 0.3953  ? 0.0422  ? -0.3363 ? 
0.0166  ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_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 
1  'X-RAY DIFFRACTION' 1  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 147 through 159 )
;
2  'X-RAY DIFFRACTION' 2  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 20 through 48 )
;
3  'X-RAY DIFFRACTION' 3  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 49 through 71 )
;
4  'X-RAY DIFFRACTION' 4  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 72 through 93 )
;
5  'X-RAY DIFFRACTION' 5  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 94 through 119 )
;
6  'X-RAY DIFFRACTION' 6  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 120 through 146 )
;
7  'X-RAY DIFFRACTION' 7  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 147 through 159 )
;
8  'X-RAY DIFFRACTION' 8  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 21 through 26 )
;
9  'X-RAY DIFFRACTION' 9  ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 27 through 35 )
;
10 'X-RAY DIFFRACTION' 10 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 36 through 48 )
;
11 'X-RAY DIFFRACTION' 11 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 49 through 71 )
;
12 'X-RAY DIFFRACTION' 12 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 72 through 85 )
;
13 'X-RAY DIFFRACTION' 13 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 86 through 110 )
;
14 'X-RAY DIFFRACTION' 14 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 111 through 119 )
;
15 'X-RAY DIFFRACTION' 15 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 120 through 134 )
;
16 'X-RAY DIFFRACTION' 16 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 135 through 146 )
;
# 
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 SER 18  ? A SER 1   
2  1 Y 1 A MET 19  ? A MET 2   
3  1 Y 1 A GLU 55  ? A GLU 38  
4  1 Y 1 A HIS 56  ? A HIS 39  
5  1 Y 1 A VAL 57  ? A VAL 40  
6  1 Y 1 A ALA 58  ? A ALA 41  
7  1 Y 1 A ALA 59  ? A ALA 42  
8  1 Y 1 A ALA 60  ? A ALA 43  
9  1 Y 1 A GLU 61  ? A GLU 44  
10 1 Y 1 A LEU 62  ? A LEU 45  
11 1 Y 1 A GLY 63  ? A GLY 46  
12 1 Y 1 A ALA 64  ? A ALA 47  
13 1 Y 1 A ARG 65  ? A ARG 48  
14 1 Y 1 A GLY 66  ? A GLY 49  
15 1 Y 1 A GLU 67  ? A GLU 50  
16 1 Y 1 A GLU 68  ? A GLU 51  
17 1 Y 1 A ALA 69  ? A ALA 52  
18 1 Y 1 A ALA 70  ? A ALA 53  
19 1 Y 1 A ALA 160 ? A ALA 143 
20 1 Y 1 A ASP 161 ? A ASP 144 
21 1 Y 1 A PRO 162 ? A PRO 145 
22 1 Y 1 B SER 18  ? B SER 1   
23 1 Y 1 B MET 19  ? B MET 2   
24 1 Y 1 B ARG 20  ? B ARG 3   
25 1 Y 1 B THR 54  ? B THR 37  
26 1 Y 1 B GLU 55  ? B GLU 38  
27 1 Y 1 B HIS 56  ? B HIS 39  
28 1 Y 1 B VAL 57  ? B VAL 40  
29 1 Y 1 B ALA 58  ? B ALA 41  
30 1 Y 1 B ALA 59  ? B ALA 42  
31 1 Y 1 B ALA 60  ? B ALA 43  
32 1 Y 1 B GLU 61  ? B GLU 44  
33 1 Y 1 B LEU 62  ? B LEU 45  
34 1 Y 1 B GLY 63  ? B GLY 46  
35 1 Y 1 B ALA 64  ? B ALA 47  
36 1 Y 1 B ARG 65  ? B ARG 48  
37 1 Y 1 B GLY 66  ? B GLY 49  
38 1 Y 1 B GLU 67  ? B GLU 50  
39 1 Y 1 B GLU 68  ? B GLU 51  
40 1 Y 1 B ALA 69  ? B ALA 52  
41 1 Y 1 B ALA 70  ? B ALA 53  
42 1 Y 1 B ALA 160 ? B ALA 143 
43 1 Y 1 B ASP 161 ? B ASP 144 
44 1 Y 1 B PRO 162 ? B PRO 145 
# 
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 
A1BBC "C3'"  C N R 1   
A1BBC "C4'"  C N R 2   
A1BBC "C5'"  C N N 3   
A1BBC "C1'"  C N R 4   
A1BBC C2     C N N 5   
A1BBC C4     C N N 6   
A1BBC C5     C N N 7   
A1BBC C7     C N N 8   
A1BBC C6     C N N 9   
A1BBC "C2'"  C N S 10  
A1BBC F01    F N N 11  
A1BBC N1     N N N 12  
A1BBC N3     N N N 13  
A1BBC "O3'"  O N N 14  
A1BBC "O5'"  O N N 15  
A1BBC OP1    O N N 16  
A1BBC OP3    O N N 17  
A1BBC OP2    O N N 18  
A1BBC "O4'"  O N N 19  
A1BBC O07    O N N 20  
A1BBC O4     O N N 21  
A1BBC O2     O N N 22  
A1BBC P      P N N 23  
A1BBC "H3'"  H N N 24  
A1BBC "H4'"  H N N 25  
A1BBC "H5'"  H N N 26  
A1BBC "H5''" H N N 27  
A1BBC "H1'"  H N N 28  
A1BBC H71    H N N 29  
A1BBC H72    H N N 30  
A1BBC H6     H N N 31  
A1BBC "H2'"  H N N 32  
A1BBC H3     H N N 33  
A1BBC "HO3'" H N N 34  
A1BBC HOP3   H N N 35  
A1BBC HOP2   H N N 36  
A1BBC HO7    H N N 37  
ALA   N      N N N 38  
ALA   CA     C N S 39  
ALA   C      C N N 40  
ALA   O      O N N 41  
ALA   CB     C N N 42  
ALA   OXT    O N N 43  
ALA   H      H N N 44  
ALA   H2     H N N 45  
ALA   HA     H N N 46  
ALA   HB1    H N N 47  
ALA   HB2    H N N 48  
ALA   HB3    H N N 49  
ALA   HXT    H N N 50  
ARG   N      N N N 51  
ARG   CA     C N S 52  
ARG   C      C N N 53  
ARG   O      O N N 54  
ARG   CB     C N N 55  
ARG   CG     C N N 56  
ARG   CD     C N N 57  
ARG   NE     N N N 58  
ARG   CZ     C N N 59  
ARG   NH1    N N N 60  
ARG   NH2    N N N 61  
ARG   OXT    O N N 62  
ARG   H      H N N 63  
ARG   H2     H N N 64  
ARG   HA     H N N 65  
ARG   HB2    H N N 66  
ARG   HB3    H N N 67  
ARG   HG2    H N N 68  
ARG   HG3    H N N 69  
ARG   HD2    H N N 70  
ARG   HD3    H N N 71  
ARG   HE     H N N 72  
ARG   HH11   H N N 73  
ARG   HH12   H N N 74  
ARG   HH21   H N N 75  
ARG   HH22   H N N 76  
ARG   HXT    H N N 77  
ASN   N      N N N 78  
ASN   CA     C N S 79  
ASN   C      C N N 80  
ASN   O      O N N 81  
ASN   CB     C N N 82  
ASN   CG     C N N 83  
ASN   OD1    O N N 84  
ASN   ND2    N N N 85  
ASN   OXT    O N N 86  
ASN   H      H N N 87  
ASN   H2     H N N 88  
ASN   HA     H N N 89  
ASN   HB2    H N N 90  
ASN   HB3    H N N 91  
ASN   HD21   H N N 92  
ASN   HD22   H N N 93  
ASN   HXT    H N N 94  
ASP   N      N N N 95  
ASP   CA     C N S 96  
ASP   C      C N N 97  
ASP   O      O N N 98  
ASP   CB     C N N 99  
ASP   CG     C N N 100 
ASP   OD1    O N N 101 
ASP   OD2    O N N 102 
ASP   OXT    O N N 103 
ASP   H      H N N 104 
ASP   H2     H N N 105 
ASP   HA     H N N 106 
ASP   HB2    H N N 107 
ASP   HB3    H N N 108 
ASP   HD2    H N N 109 
ASP   HXT    H N N 110 
CYS   N      N N N 111 
CYS   CA     C N R 112 
CYS   C      C N N 113 
CYS   O      O N N 114 
CYS   CB     C N N 115 
CYS   SG     S N N 116 
CYS   OXT    O N N 117 
CYS   H      H N N 118 
CYS   H2     H N N 119 
CYS   HA     H N N 120 
CYS   HB2    H N N 121 
CYS   HB3    H N N 122 
CYS   HG     H N N 123 
CYS   HXT    H N N 124 
EDO   C1     C N N 125 
EDO   O1     O N N 126 
EDO   C2     C N N 127 
EDO   O2     O N N 128 
EDO   H11    H N N 129 
EDO   H12    H N N 130 
EDO   HO1    H N N 131 
EDO   H21    H N N 132 
EDO   H22    H N N 133 
EDO   HO2    H N N 134 
GLN   N      N N N 135 
GLN   CA     C N S 136 
GLN   C      C N N 137 
GLN   O      O N N 138 
GLN   CB     C N N 139 
GLN   CG     C N N 140 
GLN   CD     C N N 141 
GLN   OE1    O N N 142 
GLN   NE2    N N N 143 
GLN   OXT    O N N 144 
GLN   H      H N N 145 
GLN   H2     H N N 146 
GLN   HA     H N N 147 
GLN   HB2    H N N 148 
GLN   HB3    H N N 149 
GLN   HG2    H N N 150 
GLN   HG3    H N N 151 
GLN   HE21   H N N 152 
GLN   HE22   H N N 153 
GLN   HXT    H N N 154 
GLU   N      N N N 155 
GLU   CA     C N S 156 
GLU   C      C N N 157 
GLU   O      O N N 158 
GLU   CB     C N N 159 
GLU   CG     C N N 160 
GLU   CD     C N N 161 
GLU   OE1    O N N 162 
GLU   OE2    O N N 163 
GLU   OXT    O N N 164 
GLU   H      H N N 165 
GLU   H2     H N N 166 
GLU   HA     H N N 167 
GLU   HB2    H N N 168 
GLU   HB3    H N N 169 
GLU   HG2    H N N 170 
GLU   HG3    H N N 171 
GLU   HE2    H N N 172 
GLU   HXT    H N N 173 
GLY   N      N N N 174 
GLY   CA     C N N 175 
GLY   C      C N N 176 
GLY   O      O N N 177 
GLY   OXT    O N N 178 
GLY   H      H N N 179 
GLY   H2     H N N 180 
GLY   HA2    H N N 181 
GLY   HA3    H N N 182 
GLY   HXT    H N N 183 
HIS   N      N N N 184 
HIS   CA     C N S 185 
HIS   C      C N N 186 
HIS   O      O N N 187 
HIS   CB     C N N 188 
HIS   CG     C Y N 189 
HIS   ND1    N Y N 190 
HIS   CD2    C Y N 191 
HIS   CE1    C Y N 192 
HIS   NE2    N Y N 193 
HIS   OXT    O N N 194 
HIS   H      H N N 195 
HIS   H2     H N N 196 
HIS   HA     H N N 197 
HIS   HB2    H N N 198 
HIS   HB3    H N N 199 
HIS   HD1    H N N 200 
HIS   HD2    H N N 201 
HIS   HE1    H N N 202 
HIS   HE2    H N N 203 
HIS   HXT    H N N 204 
HOH   O      O N N 205 
HOH   H1     H N N 206 
HOH   H2     H N N 207 
ILE   N      N N N 208 
ILE   CA     C N S 209 
ILE   C      C N N 210 
ILE   O      O N N 211 
ILE   CB     C N S 212 
ILE   CG1    C N N 213 
ILE   CG2    C N N 214 
ILE   CD1    C N N 215 
ILE   OXT    O N N 216 
ILE   H      H N N 217 
ILE   H2     H N N 218 
ILE   HA     H N N 219 
ILE   HB     H N N 220 
ILE   HG12   H N N 221 
ILE   HG13   H N N 222 
ILE   HG21   H N N 223 
ILE   HG22   H N N 224 
ILE   HG23   H N N 225 
ILE   HD11   H N N 226 
ILE   HD12   H N N 227 
ILE   HD13   H N N 228 
ILE   HXT    H N N 229 
LEU   N      N N N 230 
LEU   CA     C N S 231 
LEU   C      C N N 232 
LEU   O      O N N 233 
LEU   CB     C N N 234 
LEU   CG     C N N 235 
LEU   CD1    C N N 236 
LEU   CD2    C N N 237 
LEU   OXT    O N N 238 
LEU   H      H N N 239 
LEU   H2     H N N 240 
LEU   HA     H N N 241 
LEU   HB2    H N N 242 
LEU   HB3    H N N 243 
LEU   HG     H N N 244 
LEU   HD11   H N N 245 
LEU   HD12   H N N 246 
LEU   HD13   H N N 247 
LEU   HD21   H N N 248 
LEU   HD22   H N N 249 
LEU   HD23   H N N 250 
LEU   HXT    H N N 251 
LYS   N      N N N 252 
LYS   CA     C N S 253 
LYS   C      C N N 254 
LYS   O      O N N 255 
LYS   CB     C N N 256 
LYS   CG     C N N 257 
LYS   CD     C N N 258 
LYS   CE     C N N 259 
LYS   NZ     N N N 260 
LYS   OXT    O N N 261 
LYS   H      H N N 262 
LYS   H2     H N N 263 
LYS   HA     H N N 264 
LYS   HB2    H N N 265 
LYS   HB3    H N N 266 
LYS   HG2    H N N 267 
LYS   HG3    H N N 268 
LYS   HD2    H N N 269 
LYS   HD3    H N N 270 
LYS   HE2    H N N 271 
LYS   HE3    H N N 272 
LYS   HZ1    H N N 273 
LYS   HZ2    H N N 274 
LYS   HZ3    H N N 275 
LYS   HXT    H N N 276 
MET   N      N N N 277 
MET   CA     C N S 278 
MET   C      C N N 279 
MET   O      O N N 280 
MET   CB     C N N 281 
MET   CG     C N N 282 
MET   SD     S N N 283 
MET   CE     C N N 284 
MET   OXT    O N N 285 
MET   H      H N N 286 
MET   H2     H N N 287 
MET   HA     H N N 288 
MET   HB2    H N N 289 
MET   HB3    H N N 290 
MET   HG2    H N N 291 
MET   HG3    H N N 292 
MET   HE1    H N N 293 
MET   HE2    H N N 294 
MET   HE3    H N N 295 
MET   HXT    H N N 296 
PEG   C1     C N N 297 
PEG   O1     O N N 298 
PEG   C2     C N N 299 
PEG   O2     O N N 300 
PEG   C3     C N N 301 
PEG   C4     C N N 302 
PEG   O4     O N N 303 
PEG   H11    H N N 304 
PEG   H12    H N N 305 
PEG   HO1    H N N 306 
PEG   H21    H N N 307 
PEG   H22    H N N 308 
PEG   H31    H N N 309 
PEG   H32    H N N 310 
PEG   H41    H N N 311 
PEG   H42    H N N 312 
PEG   HO4    H N N 313 
PHE   N      N N N 314 
PHE   CA     C N S 315 
PHE   C      C N N 316 
PHE   O      O N N 317 
PHE   CB     C N N 318 
PHE   CG     C Y N 319 
PHE   CD1    C Y N 320 
PHE   CD2    C Y N 321 
PHE   CE1    C Y N 322 
PHE   CE2    C Y N 323 
PHE   CZ     C Y N 324 
PHE   OXT    O N N 325 
PHE   H      H N N 326 
PHE   H2     H N N 327 
PHE   HA     H N N 328 
PHE   HB2    H N N 329 
PHE   HB3    H N N 330 
PHE   HD1    H N N 331 
PHE   HD2    H N N 332 
PHE   HE1    H N N 333 
PHE   HE2    H N N 334 
PHE   HZ     H N N 335 
PHE   HXT    H N N 336 
PRO   N      N N N 337 
PRO   CA     C N S 338 
PRO   C      C N N 339 
PRO   O      O N N 340 
PRO   CB     C N N 341 
PRO   CG     C N N 342 
PRO   CD     C N N 343 
PRO   OXT    O N N 344 
PRO   H      H N N 345 
PRO   HA     H N N 346 
PRO   HB2    H N N 347 
PRO   HB3    H N N 348 
PRO   HG2    H N N 349 
PRO   HG3    H N N 350 
PRO   HD2    H N N 351 
PRO   HD3    H N N 352 
PRO   HXT    H N N 353 
SER   N      N N N 354 
SER   CA     C N S 355 
SER   C      C N N 356 
SER   O      O N N 357 
SER   CB     C N N 358 
SER   OG     O N N 359 
SER   OXT    O N N 360 
SER   H      H N N 361 
SER   H2     H N N 362 
SER   HA     H N N 363 
SER   HB2    H N N 364 
SER   HB3    H N N 365 
SER   HG     H N N 366 
SER   HXT    H N N 367 
THR   N      N N N 368 
THR   CA     C N S 369 
THR   C      C N N 370 
THR   O      O N N 371 
THR   CB     C N R 372 
THR   OG1    O N N 373 
THR   CG2    C N N 374 
THR   OXT    O N N 375 
THR   H      H N N 376 
THR   H2     H N N 377 
THR   HA     H N N 378 
THR   HB     H N N 379 
THR   HG1    H N N 380 
THR   HG21   H N N 381 
THR   HG22   H N N 382 
THR   HG23   H N N 383 
THR   HXT    H N N 384 
TRP   N      N N N 385 
TRP   CA     C N S 386 
TRP   C      C N N 387 
TRP   O      O N N 388 
TRP   CB     C N N 389 
TRP   CG     C Y N 390 
TRP   CD1    C Y N 391 
TRP   CD2    C Y N 392 
TRP   NE1    N Y N 393 
TRP   CE2    C Y N 394 
TRP   CE3    C Y N 395 
TRP   CZ2    C Y N 396 
TRP   CZ3    C Y N 397 
TRP   CH2    C Y N 398 
TRP   OXT    O N N 399 
TRP   H      H N N 400 
TRP   H2     H N N 401 
TRP   HA     H N N 402 
TRP   HB2    H N N 403 
TRP   HB3    H N N 404 
TRP   HD1    H N N 405 
TRP   HE1    H N N 406 
TRP   HE3    H N N 407 
TRP   HZ2    H N N 408 
TRP   HZ3    H N N 409 
TRP   HH2    H N N 410 
TRP   HXT    H N N 411 
TYR   N      N N N 412 
TYR   CA     C N S 413 
TYR   C      C N N 414 
TYR   O      O N N 415 
TYR   CB     C N N 416 
TYR   CG     C Y N 417 
TYR   CD1    C Y N 418 
TYR   CD2    C Y N 419 
TYR   CE1    C Y N 420 
TYR   CE2    C Y N 421 
TYR   CZ     C Y N 422 
TYR   OH     O N N 423 
TYR   OXT    O N N 424 
TYR   H      H N N 425 
TYR   H2     H N N 426 
TYR   HA     H N N 427 
TYR   HB2    H N N 428 
TYR   HB3    H N N 429 
TYR   HD1    H N N 430 
TYR   HD2    H N N 431 
TYR   HE1    H N N 432 
TYR   HE2    H N N 433 
TYR   HH     H N N 434 
TYR   HXT    H N N 435 
VAL   N      N N N 436 
VAL   CA     C N S 437 
VAL   C      C N N 438 
VAL   O      O N N 439 
VAL   CB     C N N 440 
VAL   CG1    C N N 441 
VAL   CG2    C N N 442 
VAL   OXT    O N N 443 
VAL   H      H N N 444 
VAL   H2     H N N 445 
VAL   HA     H N N 446 
VAL   HB     H N N 447 
VAL   HG11   H N N 448 
VAL   HG12   H N N 449 
VAL   HG13   H N N 450 
VAL   HG21   H N N 451 
VAL   HG22   H N N 452 
VAL   HG23   H N N 453 
VAL   HXT    H N N 454 
# 
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 
A1BBC "O3'" "C3'"  sing N N 1   
A1BBC "O4'" "C4'"  sing N N 2   
A1BBC "O4'" "C1'"  sing N N 3   
A1BBC "C4'" "C3'"  sing N N 4   
A1BBC "C4'" "C5'"  sing N N 5   
A1BBC "C1'" "C2'"  sing N N 6   
A1BBC "C1'" N1     sing N N 7   
A1BBC "O5'" "C5'"  sing N N 8   
A1BBC "O5'" P      sing N N 9   
A1BBC "C3'" "C2'"  sing N N 10  
A1BBC OP1   P      doub N N 11  
A1BBC "C2'" F01    sing N N 12  
A1BBC N1    C6     sing N N 13  
A1BBC N1    C2     sing N N 14  
A1BBC P     OP2    sing N N 15  
A1BBC P     OP3    sing N N 16  
A1BBC O2    C2     doub N N 17  
A1BBC C6    C5     doub N N 18  
A1BBC C2    N3     sing N N 19  
A1BBC O07   C7     sing N N 20  
A1BBC C5    C7     sing N N 21  
A1BBC C5    C4     sing N N 22  
A1BBC N3    C4     sing N N 23  
A1BBC C4    O4     doub N N 24  
A1BBC "C3'" "H3'"  sing N N 25  
A1BBC "C4'" "H4'"  sing N N 26  
A1BBC "C5'" "H5'"  sing N N 27  
A1BBC "C5'" "H5''" sing N N 28  
A1BBC "C1'" "H1'"  sing N N 29  
A1BBC C7    H71    sing N N 30  
A1BBC C7    H72    sing N N 31  
A1BBC C6    H6     sing N N 32  
A1BBC "C2'" "H2'"  sing N N 33  
A1BBC N3    H3     sing N N 34  
A1BBC "O3'" "HO3'" sing N N 35  
A1BBC OP3   HOP3   sing N N 36  
A1BBC OP2   HOP2   sing N N 37  
A1BBC O07   HO7    sing N N 38  
ALA   N     CA     sing N N 39  
ALA   N     H      sing N N 40  
ALA   N     H2     sing N N 41  
ALA   CA    C      sing N N 42  
ALA   CA    CB     sing N N 43  
ALA   CA    HA     sing N N 44  
ALA   C     O      doub N N 45  
ALA   C     OXT    sing N N 46  
ALA   CB    HB1    sing N N 47  
ALA   CB    HB2    sing N N 48  
ALA   CB    HB3    sing N N 49  
ALA   OXT   HXT    sing N N 50  
ARG   N     CA     sing N N 51  
ARG   N     H      sing N N 52  
ARG   N     H2     sing N N 53  
ARG   CA    C      sing N N 54  
ARG   CA    CB     sing N N 55  
ARG   CA    HA     sing N N 56  
ARG   C     O      doub N N 57  
ARG   C     OXT    sing N N 58  
ARG   CB    CG     sing N N 59  
ARG   CB    HB2    sing N N 60  
ARG   CB    HB3    sing N N 61  
ARG   CG    CD     sing N N 62  
ARG   CG    HG2    sing N N 63  
ARG   CG    HG3    sing N N 64  
ARG   CD    NE     sing N N 65  
ARG   CD    HD2    sing N N 66  
ARG   CD    HD3    sing N N 67  
ARG   NE    CZ     sing N N 68  
ARG   NE    HE     sing N N 69  
ARG   CZ    NH1    sing N N 70  
ARG   CZ    NH2    doub N N 71  
ARG   NH1   HH11   sing N N 72  
ARG   NH1   HH12   sing N N 73  
ARG   NH2   HH21   sing N N 74  
ARG   NH2   HH22   sing N N 75  
ARG   OXT   HXT    sing N N 76  
ASN   N     CA     sing N N 77  
ASN   N     H      sing N N 78  
ASN   N     H2     sing N N 79  
ASN   CA    C      sing N N 80  
ASN   CA    CB     sing N N 81  
ASN   CA    HA     sing N N 82  
ASN   C     O      doub N N 83  
ASN   C     OXT    sing N N 84  
ASN   CB    CG     sing N N 85  
ASN   CB    HB2    sing N N 86  
ASN   CB    HB3    sing N N 87  
ASN   CG    OD1    doub N N 88  
ASN   CG    ND2    sing N N 89  
ASN   ND2   HD21   sing N N 90  
ASN   ND2   HD22   sing N N 91  
ASN   OXT   HXT    sing N N 92  
ASP   N     CA     sing N N 93  
ASP   N     H      sing N N 94  
ASP   N     H2     sing N N 95  
ASP   CA    C      sing N N 96  
ASP   CA    CB     sing N N 97  
ASP   CA    HA     sing N N 98  
ASP   C     O      doub N N 99  
ASP   C     OXT    sing N N 100 
ASP   CB    CG     sing N N 101 
ASP   CB    HB2    sing N N 102 
ASP   CB    HB3    sing N N 103 
ASP   CG    OD1    doub N N 104 
ASP   CG    OD2    sing N N 105 
ASP   OD2   HD2    sing N N 106 
ASP   OXT   HXT    sing N N 107 
CYS   N     CA     sing N N 108 
CYS   N     H      sing N N 109 
CYS   N     H2     sing N N 110 
CYS   CA    C      sing N N 111 
CYS   CA    CB     sing N N 112 
CYS   CA    HA     sing N N 113 
CYS   C     O      doub N N 114 
CYS   C     OXT    sing N N 115 
CYS   CB    SG     sing N N 116 
CYS   CB    HB2    sing N N 117 
CYS   CB    HB3    sing N N 118 
CYS   SG    HG     sing N N 119 
CYS   OXT   HXT    sing N N 120 
EDO   C1    O1     sing N N 121 
EDO   C1    C2     sing N N 122 
EDO   C1    H11    sing N N 123 
EDO   C1    H12    sing N N 124 
EDO   O1    HO1    sing N N 125 
EDO   C2    O2     sing N N 126 
EDO   C2    H21    sing N N 127 
EDO   C2    H22    sing N N 128 
EDO   O2    HO2    sing N N 129 
GLN   N     CA     sing N N 130 
GLN   N     H      sing N N 131 
GLN   N     H2     sing N N 132 
GLN   CA    C      sing N N 133 
GLN   CA    CB     sing N N 134 
GLN   CA    HA     sing N N 135 
GLN   C     O      doub N N 136 
GLN   C     OXT    sing N N 137 
GLN   CB    CG     sing N N 138 
GLN   CB    HB2    sing N N 139 
GLN   CB    HB3    sing N N 140 
GLN   CG    CD     sing N N 141 
GLN   CG    HG2    sing N N 142 
GLN   CG    HG3    sing N N 143 
GLN   CD    OE1    doub N N 144 
GLN   CD    NE2    sing N N 145 
GLN   NE2   HE21   sing N N 146 
GLN   NE2   HE22   sing N N 147 
GLN   OXT   HXT    sing N N 148 
GLU   N     CA     sing N N 149 
GLU   N     H      sing N N 150 
GLU   N     H2     sing N N 151 
GLU   CA    C      sing N N 152 
GLU   CA    CB     sing N N 153 
GLU   CA    HA     sing N N 154 
GLU   C     O      doub N N 155 
GLU   C     OXT    sing N N 156 
GLU   CB    CG     sing N N 157 
GLU   CB    HB2    sing N N 158 
GLU   CB    HB3    sing N N 159 
GLU   CG    CD     sing N N 160 
GLU   CG    HG2    sing N N 161 
GLU   CG    HG3    sing N N 162 
GLU   CD    OE1    doub N N 163 
GLU   CD    OE2    sing N N 164 
GLU   OE2   HE2    sing N N 165 
GLU   OXT   HXT    sing N N 166 
GLY   N     CA     sing N N 167 
GLY   N     H      sing N N 168 
GLY   N     H2     sing N N 169 
GLY   CA    C      sing N N 170 
GLY   CA    HA2    sing N N 171 
GLY   CA    HA3    sing N N 172 
GLY   C     O      doub N N 173 
GLY   C     OXT    sing N N 174 
GLY   OXT   HXT    sing N N 175 
HIS   N     CA     sing N N 176 
HIS   N     H      sing N N 177 
HIS   N     H2     sing N N 178 
HIS   CA    C      sing N N 179 
HIS   CA    CB     sing N N 180 
HIS   CA    HA     sing N N 181 
HIS   C     O      doub N N 182 
HIS   C     OXT    sing N N 183 
HIS   CB    CG     sing N N 184 
HIS   CB    HB2    sing N N 185 
HIS   CB    HB3    sing N N 186 
HIS   CG    ND1    sing Y N 187 
HIS   CG    CD2    doub Y N 188 
HIS   ND1   CE1    doub Y N 189 
HIS   ND1   HD1    sing N N 190 
HIS   CD2   NE2    sing Y N 191 
HIS   CD2   HD2    sing N N 192 
HIS   CE1   NE2    sing Y N 193 
HIS   CE1   HE1    sing N N 194 
HIS   NE2   HE2    sing N N 195 
HIS   OXT   HXT    sing N N 196 
HOH   O     H1     sing N N 197 
HOH   O     H2     sing N N 198 
ILE   N     CA     sing N N 199 
ILE   N     H      sing N N 200 
ILE   N     H2     sing N N 201 
ILE   CA    C      sing N N 202 
ILE   CA    CB     sing N N 203 
ILE   CA    HA     sing N N 204 
ILE   C     O      doub N N 205 
ILE   C     OXT    sing N N 206 
ILE   CB    CG1    sing N N 207 
ILE   CB    CG2    sing N N 208 
ILE   CB    HB     sing N N 209 
ILE   CG1   CD1    sing N N 210 
ILE   CG1   HG12   sing N N 211 
ILE   CG1   HG13   sing N N 212 
ILE   CG2   HG21   sing N N 213 
ILE   CG2   HG22   sing N N 214 
ILE   CG2   HG23   sing N N 215 
ILE   CD1   HD11   sing N N 216 
ILE   CD1   HD12   sing N N 217 
ILE   CD1   HD13   sing N N 218 
ILE   OXT   HXT    sing N N 219 
LEU   N     CA     sing N N 220 
LEU   N     H      sing N N 221 
LEU   N     H2     sing N N 222 
LEU   CA    C      sing N N 223 
LEU   CA    CB     sing N N 224 
LEU   CA    HA     sing N N 225 
LEU   C     O      doub N N 226 
LEU   C     OXT    sing N N 227 
LEU   CB    CG     sing N N 228 
LEU   CB    HB2    sing N N 229 
LEU   CB    HB3    sing N N 230 
LEU   CG    CD1    sing N N 231 
LEU   CG    CD2    sing N N 232 
LEU   CG    HG     sing N N 233 
LEU   CD1   HD11   sing N N 234 
LEU   CD1   HD12   sing N N 235 
LEU   CD1   HD13   sing N N 236 
LEU   CD2   HD21   sing N N 237 
LEU   CD2   HD22   sing N N 238 
LEU   CD2   HD23   sing N N 239 
LEU   OXT   HXT    sing N N 240 
LYS   N     CA     sing N N 241 
LYS   N     H      sing N N 242 
LYS   N     H2     sing N N 243 
LYS   CA    C      sing N N 244 
LYS   CA    CB     sing N N 245 
LYS   CA    HA     sing N N 246 
LYS   C     O      doub N N 247 
LYS   C     OXT    sing N N 248 
LYS   CB    CG     sing N N 249 
LYS   CB    HB2    sing N N 250 
LYS   CB    HB3    sing N N 251 
LYS   CG    CD     sing N N 252 
LYS   CG    HG2    sing N N 253 
LYS   CG    HG3    sing N N 254 
LYS   CD    CE     sing N N 255 
LYS   CD    HD2    sing N N 256 
LYS   CD    HD3    sing N N 257 
LYS   CE    NZ     sing N N 258 
LYS   CE    HE2    sing N N 259 
LYS   CE    HE3    sing N N 260 
LYS   NZ    HZ1    sing N N 261 
LYS   NZ    HZ2    sing N N 262 
LYS   NZ    HZ3    sing N N 263 
LYS   OXT   HXT    sing N N 264 
MET   N     CA     sing N N 265 
MET   N     H      sing N N 266 
MET   N     H2     sing N N 267 
MET   CA    C      sing N N 268 
MET   CA    CB     sing N N 269 
MET   CA    HA     sing N N 270 
MET   C     O      doub N N 271 
MET   C     OXT    sing N N 272 
MET   CB    CG     sing N N 273 
MET   CB    HB2    sing N N 274 
MET   CB    HB3    sing N N 275 
MET   CG    SD     sing N N 276 
MET   CG    HG2    sing N N 277 
MET   CG    HG3    sing N N 278 
MET   SD    CE     sing N N 279 
MET   CE    HE1    sing N N 280 
MET   CE    HE2    sing N N 281 
MET   CE    HE3    sing N N 282 
MET   OXT   HXT    sing N N 283 
PEG   C1    O1     sing N N 284 
PEG   C1    C2     sing N N 285 
PEG   C1    H11    sing N N 286 
PEG   C1    H12    sing N N 287 
PEG   O1    HO1    sing N N 288 
PEG   C2    O2     sing N N 289 
PEG   C2    H21    sing N N 290 
PEG   C2    H22    sing N N 291 
PEG   O2    C3     sing N N 292 
PEG   C3    C4     sing N N 293 
PEG   C3    H31    sing N N 294 
PEG   C3    H32    sing N N 295 
PEG   C4    O4     sing N N 296 
PEG   C4    H41    sing N N 297 
PEG   C4    H42    sing N N 298 
PEG   O4    HO4    sing N N 299 
PHE   N     CA     sing N N 300 
PHE   N     H      sing N N 301 
PHE   N     H2     sing N N 302 
PHE   CA    C      sing N N 303 
PHE   CA    CB     sing N N 304 
PHE   CA    HA     sing N N 305 
PHE   C     O      doub N N 306 
PHE   C     OXT    sing N N 307 
PHE   CB    CG     sing N N 308 
PHE   CB    HB2    sing N N 309 
PHE   CB    HB3    sing N N 310 
PHE   CG    CD1    doub Y N 311 
PHE   CG    CD2    sing Y N 312 
PHE   CD1   CE1    sing Y N 313 
PHE   CD1   HD1    sing N N 314 
PHE   CD2   CE2    doub Y N 315 
PHE   CD2   HD2    sing N N 316 
PHE   CE1   CZ     doub Y N 317 
PHE   CE1   HE1    sing N N 318 
PHE   CE2   CZ     sing Y N 319 
PHE   CE2   HE2    sing N N 320 
PHE   CZ    HZ     sing N N 321 
PHE   OXT   HXT    sing N N 322 
PRO   N     CA     sing N N 323 
PRO   N     CD     sing N N 324 
PRO   N     H      sing N N 325 
PRO   CA    C      sing N N 326 
PRO   CA    CB     sing N N 327 
PRO   CA    HA     sing N N 328 
PRO   C     O      doub N N 329 
PRO   C     OXT    sing N N 330 
PRO   CB    CG     sing N N 331 
PRO   CB    HB2    sing N N 332 
PRO   CB    HB3    sing N N 333 
PRO   CG    CD     sing N N 334 
PRO   CG    HG2    sing N N 335 
PRO   CG    HG3    sing N N 336 
PRO   CD    HD2    sing N N 337 
PRO   CD    HD3    sing N N 338 
PRO   OXT   HXT    sing N N 339 
SER   N     CA     sing N N 340 
SER   N     H      sing N N 341 
SER   N     H2     sing N N 342 
SER   CA    C      sing N N 343 
SER   CA    CB     sing N N 344 
SER   CA    HA     sing N N 345 
SER   C     O      doub N N 346 
SER   C     OXT    sing N N 347 
SER   CB    OG     sing N N 348 
SER   CB    HB2    sing N N 349 
SER   CB    HB3    sing N N 350 
SER   OG    HG     sing N N 351 
SER   OXT   HXT    sing N N 352 
THR   N     CA     sing N N 353 
THR   N     H      sing N N 354 
THR   N     H2     sing N N 355 
THR   CA    C      sing N N 356 
THR   CA    CB     sing N N 357 
THR   CA    HA     sing N N 358 
THR   C     O      doub N N 359 
THR   C     OXT    sing N N 360 
THR   CB    OG1    sing N N 361 
THR   CB    CG2    sing N N 362 
THR   CB    HB     sing N N 363 
THR   OG1   HG1    sing N N 364 
THR   CG2   HG21   sing N N 365 
THR   CG2   HG22   sing N N 366 
THR   CG2   HG23   sing N N 367 
THR   OXT   HXT    sing N N 368 
TRP   N     CA     sing N N 369 
TRP   N     H      sing N N 370 
TRP   N     H2     sing N N 371 
TRP   CA    C      sing N N 372 
TRP   CA    CB     sing N N 373 
TRP   CA    HA     sing N N 374 
TRP   C     O      doub N N 375 
TRP   C     OXT    sing N N 376 
TRP   CB    CG     sing N N 377 
TRP   CB    HB2    sing N N 378 
TRP   CB    HB3    sing N N 379 
TRP   CG    CD1    doub Y N 380 
TRP   CG    CD2    sing Y N 381 
TRP   CD1   NE1    sing Y N 382 
TRP   CD1   HD1    sing N N 383 
TRP   CD2   CE2    doub Y N 384 
TRP   CD2   CE3    sing Y N 385 
TRP   NE1   CE2    sing Y N 386 
TRP   NE1   HE1    sing N N 387 
TRP   CE2   CZ2    sing Y N 388 
TRP   CE3   CZ3    doub Y N 389 
TRP   CE3   HE3    sing N N 390 
TRP   CZ2   CH2    doub Y N 391 
TRP   CZ2   HZ2    sing N N 392 
TRP   CZ3   CH2    sing Y N 393 
TRP   CZ3   HZ3    sing N N 394 
TRP   CH2   HH2    sing N N 395 
TRP   OXT   HXT    sing N N 396 
TYR   N     CA     sing N N 397 
TYR   N     H      sing N N 398 
TYR   N     H2     sing N N 399 
TYR   CA    C      sing N N 400 
TYR   CA    CB     sing N N 401 
TYR   CA    HA     sing N N 402 
TYR   C     O      doub N N 403 
TYR   C     OXT    sing N N 404 
TYR   CB    CG     sing N N 405 
TYR   CB    HB2    sing N N 406 
TYR   CB    HB3    sing N N 407 
TYR   CG    CD1    doub Y N 408 
TYR   CG    CD2    sing Y N 409 
TYR   CD1   CE1    sing Y N 410 
TYR   CD1   HD1    sing N N 411 
TYR   CD2   CE2    doub Y N 412 
TYR   CD2   HD2    sing N N 413 
TYR   CE1   CZ     doub Y N 414 
TYR   CE1   HE1    sing N N 415 
TYR   CE2   CZ     sing Y N 416 
TYR   CE2   HE2    sing N N 417 
TYR   CZ    OH     sing N N 418 
TYR   OH    HH     sing N N 419 
TYR   OXT   HXT    sing N N 420 
VAL   N     CA     sing N N 421 
VAL   N     H      sing N N 422 
VAL   N     H2     sing N N 423 
VAL   CA    C      sing N N 424 
VAL   CA    CB     sing N N 425 
VAL   CA    HA     sing N N 426 
VAL   C     O      doub N N 427 
VAL   C     OXT    sing N N 428 
VAL   CB    CG1    sing N N 429 
VAL   CB    CG2    sing N N 430 
VAL   CB    HB     sing N N 431 
VAL   CG1   HG11   sing N N 432 
VAL   CG1   HG12   sing N N 433 
VAL   CG1   HG13   sing N N 434 
VAL   CG2   HG21   sing N N 435 
VAL   CG2   HG22   sing N N 436 
VAL   CG2   HG23   sing N N 437 
VAL   OXT   HXT    sing N N 438 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)' 'United States' GM041916       1 
'National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)' 'United States' 'S10 OD020068' 2 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   4P5E 
_pdbx_initial_refinement_model.details          
'CRYSTAL STRUCTURE OF HUMAN DNPH1 (RCL) WITH 6-NAPHTHYL-PURINE-RIBOSIDE-MONOPHOSPHATE' 
# 
_atom_sites.entry_id                    9DA2 
_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]   0.016519 
_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]   0.015440 
_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]   0.007767 
_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 
F 
H 
N 
O 
P 
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      . ARG   A 1 3   ? -29.489 8.750   -16.484 1.00 33.64 ? 20  ARG   A N      1 
ATOM   2    C CA     . ARG   A 1 3   ? -28.782 7.891   -15.527 1.00 29.60 ? 20  ARG   A CA     1 
ATOM   3    C C      . ARG   A 1 3   ? -29.021 6.429   -15.897 1.00 31.61 ? 20  ARG   A C      1 
ATOM   4    O O      . ARG   A 1 3   ? -30.166 5.981   -15.991 1.00 34.03 ? 20  ARG   A O      1 
ATOM   5    C CB     . ARG   A 1 3   ? -29.265 8.183   -14.103 1.00 34.58 ? 20  ARG   A CB     1 
ATOM   6    C CG     . ARG   A 1 3   ? -28.599 9.409   -13.451 1.00 34.79 ? 20  ARG   A CG     1 
ATOM   7    C CD     . ARG   A 1 3   ? -29.177 9.697   -12.065 1.00 39.72 ? 20  ARG   A CD     1 
ATOM   8    N NE     . ARG   A 1 3   ? -28.859 8.679   -11.065 1.00 38.72 ? 20  ARG   A NE     1 
ATOM   9    C CZ     . ARG   A 1 3   ? -27.744 8.636   -10.345 1.00 35.03 ? 20  ARG   A CZ     1 
ATOM   10   N NH1    . ARG   A 1 3   ? -26.770 9.514   -10.520 1.00 38.29 ? 20  ARG   A NH1    1 
ATOM   11   N NH2    . ARG   A 1 3   ? -27.604 7.689   -9.419  1.00 36.33 ? 20  ARG   A NH2    1 
ATOM   12   H HA     . ARG   A 1 3   ? -27.827 8.063   -15.545 1.00 35.52 ? 20  ARG   A HA     1 
ATOM   13   H HB2    . ARG   A 1 3   ? -30.221 8.347   -14.128 1.00 41.50 ? 20  ARG   A HB2    1 
ATOM   14   H HB3    . ARG   A 1 3   ? -29.074 7.413   -13.546 1.00 41.50 ? 20  ARG   A HB3    1 
ATOM   15   H HG2    . ARG   A 1 3   ? -27.648 9.243   -13.354 1.00 41.75 ? 20  ARG   A HG2    1 
ATOM   16   H HG3    . ARG   A 1 3   ? -28.745 10.188  -14.009 1.00 41.75 ? 20  ARG   A HG3    1 
ATOM   17   H HD2    . ARG   A 1 3   ? -28.822 10.542  -11.748 1.00 47.66 ? 20  ARG   A HD2    1 
ATOM   18   H HD3    . ARG   A 1 3   ? -30.143 9.749   -12.135 1.00 47.66 ? 20  ARG   A HD3    1 
ATOM   19   H HE     . ARG   A 1 3   ? -29.440 8.059   -10.933 1.00 46.46 ? 20  ARG   A HE     1 
ATOM   20   H HH11   . ARG   A 1 3   ? -26.850 10.132  -11.112 1.00 45.95 ? 20  ARG   A HH11   1 
ATOM   21   H HH12   . ARG   A 1 3   ? -26.057 9.466   -10.041 1.00 45.95 ? 20  ARG   A HH12   1 
ATOM   22   H HH21   . ARG   A 1 3   ? -28.232 7.114   -9.294  1.00 43.60 ? 20  ARG   A HH21   1 
ATOM   23   H HH22   . ARG   A 1 3   ? -26.886 7.651   -8.947  1.00 43.60 ? 20  ARG   A HH22   1 
ATOM   24   N N      . PRO   A 1 4   ? -27.947 5.688   -16.141 1.00 27.42 ? 21  PRO   A N      1 
ATOM   25   C CA     . PRO   A 1 4   ? -28.107 4.313   -16.621 1.00 24.20 ? 21  PRO   A CA     1 
ATOM   26   C C      . PRO   A 1 4   ? -28.627 3.379   -15.541 1.00 24.25 ? 21  PRO   A C      1 
ATOM   27   O O      . PRO   A 1 4   ? -28.449 3.587   -14.341 1.00 26.31 ? 21  PRO   A O      1 
ATOM   28   C CB     . PRO   A 1 4   ? -26.687 3.919   -17.030 1.00 25.73 ? 21  PRO   A CB     1 
ATOM   29   C CG     . PRO   A 1 4   ? -25.825 4.702   -16.093 1.00 27.54 ? 21  PRO   A CG     1 
ATOM   30   C CD     . PRO   A 1 4   ? -26.524 6.028   -15.930 1.00 28.47 ? 21  PRO   A CD     1 
ATOM   31   H HA     . PRO   A 1 4   ? -28.704 4.291   -17.385 1.00 29.04 ? 21  PRO   A HA     1 
ATOM   32   H HB2    . PRO   A 1 4   ? -26.557 2.965   -16.915 1.00 30.87 ? 21  PRO   A HB2    1 
ATOM   33   H HB3    . PRO   A 1 4   ? -26.522 4.168   -17.953 1.00 30.87 ? 21  PRO   A HB3    1 
ATOM   34   H HG2    . PRO   A 1 4   ? -25.756 4.239   -15.244 1.00 33.04 ? 21  PRO   A HG2    1 
ATOM   35   H HG3    . PRO   A 1 4   ? -24.942 4.821   -16.479 1.00 33.04 ? 21  PRO   A HG3    1 
ATOM   36   H HD2    . PRO   A 1 4   ? -26.382 6.386   -15.039 1.00 34.16 ? 21  PRO   A HD2    1 
ATOM   37   H HD3    . PRO   A 1 4   ? -26.218 6.664   -16.595 1.00 34.16 ? 21  PRO   A HD3    1 
ATOM   38   N N      . ALA   A 1 5   ? -29.267 2.306   -16.000 1.00 21.20 ? 22  ALA   A N      1 
ATOM   39   C CA     . ALA   A 1 5   ? -29.598 1.171   -15.151 1.00 19.27 ? 22  ALA   A CA     1 
ATOM   40   C C      . ALA   A 1 5   ? -28.422 0.209   -15.213 1.00 18.53 ? 22  ALA   A C      1 
ATOM   41   O O      . ALA   A 1 5   ? -27.924 -0.095  -16.306 1.00 19.59 ? 22  ALA   A O      1 
ATOM   42   C CB     . ALA   A 1 5   ? -30.862 0.490   -15.662 1.00 22.86 ? 22  ALA   A CB     1 
ATOM   43   H H      . ALA   A 1 5   ? -29.525 2.212   -16.815 1.00 25.44 ? 22  ALA   A H      1 
ATOM   44   H HA     . ALA   A 1 5   ? -29.757 1.444   -14.234 1.00 23.13 ? 22  ALA   A HA     1 
ATOM   45   H HB1    . ALA   A 1 5   ? -31.069 -0.265  -15.089 1.00 27.43 ? 22  ALA   A HB1    1 
ATOM   46   H HB2    . ALA   A 1 5   ? -31.593 1.128   -15.645 1.00 27.43 ? 22  ALA   A HB2    1 
ATOM   47   H HB3    . ALA   A 1 5   ? -30.711 0.184   -16.570 1.00 27.43 ? 22  ALA   A HB3    1 
ATOM   48   N N      . LEU   A 1 6   ? -27.999 -0.291  -14.061 1.00 16.82 ? 23  LEU   A N      1 
ATOM   49   C CA     . LEU   A 1 6   ? -26.767 -1.047  -13.959 1.00 15.11 ? 23  LEU   A CA     1 
ATOM   50   C C      . LEU   A 1 6   ? -27.021 -2.409  -13.337 1.00 15.83 ? 23  LEU   A C      1 
ATOM   51   O O      . LEU   A 1 6   ? -27.855 -2.563  -12.429 1.00 17.38 ? 23  LEU   A O      1 
ATOM   52   C CB     . LEU   A 1 6   ? -25.749 -0.262  -13.129 1.00 16.93 ? 23  LEU   A CB     1 
ATOM   53   C CG     . LEU   A 1 6   ? -25.490 1.146   -13.663 1.00 17.37 ? 23  LEU   A CG     1 
ATOM   54   C CD1    . LEU   A 1 6   ? -24.749 1.988   -12.650 1.00 19.74 ? 23  LEU   A CD1    1 
ATOM   55   C CD2    . LEU   A 1 6   ? -24.736 1.084   -14.993 1.00 18.72 ? 23  LEU   A CD2    1 
ATOM   56   H H      . LEU   A 1 6   ? -28.417 -0.202  -13.315 1.00 20.18 ? 23  LEU   A H      1 
ATOM   57   H HA     . LEU   A 1 6   ? -26.403 -1.209  -14.843 1.00 18.14 ? 23  LEU   A HA     1 
ATOM   58   H HB2    . LEU   A 1 6   ? -26.082 -0.181  -12.221 1.00 20.32 ? 23  LEU   A HB2    1 
ATOM   59   H HB3    . LEU   A 1 6   ? -24.906 -0.742  -13.132 1.00 20.32 ? 23  LEU   A HB3    1 
ATOM   60   H HG     . LEU   A 1 6   ? -26.342 1.580   -13.824 1.00 20.84 ? 23  LEU   A HG     1 
ATOM   61   H HD11   . LEU   A 1 6   ? -24.594 2.869   -13.025 1.00 23.69 ? 23  LEU   A HD11   1 
ATOM   62   H HD12   . LEU   A 1 6   ? -25.287 2.061   -11.846 1.00 23.69 ? 23  LEU   A HD12   1 
ATOM   63   H HD13   . LEU   A 1 6   ? -23.902 1.562   -12.445 1.00 23.69 ? 23  LEU   A HD13   1 
ATOM   64   H HD21   . LEU   A 1 6   ? -24.517 1.986   -15.274 1.00 22.47 ? 23  LEU   A HD21   1 
ATOM   65   H HD22   . LEU   A 1 6   ? -23.924 0.568   -14.872 1.00 22.47 ? 23  LEU   A HD22   1 
ATOM   66   H HD23   . LEU   A 1 6   ? -25.302 0.659   -15.657 1.00 22.47 ? 23  LEU   A HD23   1 
ATOM   67   N N      . TYR   A 1 7   ? -26.318 -3.411  -13.845 1.00 13.57 ? 24  TYR   A N      1 
ATOM   68   C CA     . TYR   A 1 7   ? -26.430 -4.788  -13.368 1.00 13.20 ? 24  TYR   A CA     1 
ATOM   69   C C      . TYR   A 1 7   ? -25.040 -5.227  -12.946 1.00 12.51 ? 24  TYR   A C      1 
ATOM   70   O O      . TYR   A 1 7   ? -24.110 -5.168  -13.758 1.00 15.15 ? 24  TYR   A O      1 
ATOM   71   C CB     . TYR   A 1 7   ? -26.944 -5.681  -14.502 1.00 14.18 ? 24  TYR   A CB     1 
ATOM   72   C CG     . TYR   A 1 7   ? -27.267 -7.108  -14.119 1.00 13.04 ? 24  TYR   A CG     1 
ATOM   73   C CD1    . TYR   A 1 7   ? -26.275 -8.031  -13.877 1.00 13.77 ? 24  TYR   A CD1    1 
ATOM   74   C CD2    . TYR   A 1 7   ? -28.578 -7.533  -14.045 1.00 14.30 ? 24  TYR   A CD2    1 
ATOM   75   C CE1    . TYR   A 1 7   ? -26.580 -9.332  -13.531 1.00 13.21 ? 24  TYR   A CE1    1 
ATOM   76   C CE2    . TYR   A 1 7   ? -28.902 -8.819  -13.712 1.00 16.24 ? 24  TYR   A CE2    1 
ATOM   77   C CZ     . TYR   A 1 7   ? -27.902 -9.725  -13.450 1.00 14.76 ? 24  TYR   A CZ     1 
ATOM   78   O OH     . TYR   A 1 7   ? -28.270 -11.016 -13.146 1.00 15.82 ? 24  TYR   A OH     1 
ATOM   79   H H      . TYR   A 1 7   ? -25.752 -3.318  -14.486 1.00 16.28 ? 24  TYR   A H      1 
ATOM   80   H HA     . TYR   A 1 7   ? -27.033 -4.855  -12.611 1.00 15.83 ? 24  TYR   A HA     1 
ATOM   81   H HB2    . TYR   A 1 7   ? -27.757 -5.287  -14.854 1.00 17.01 ? 24  TYR   A HB2    1 
ATOM   82   H HB3    . TYR   A 1 7   ? -26.265 -5.716  -15.194 1.00 17.01 ? 24  TYR   A HB3    1 
ATOM   83   H HD1    . TYR   A 1 7   ? -25.384 -7.774  -13.948 1.00 16.52 ? 24  TYR   A HD1    1 
ATOM   84   H HD2    . TYR   A 1 7   ? -29.260 -6.927  -14.227 1.00 17.16 ? 24  TYR   A HD2    1 
ATOM   85   H HE1    . TYR   A 1 7   ? -25.900 -9.941  -13.353 1.00 15.85 ? 24  TYR   A HE1    1 
ATOM   86   H HE2    . TYR   A 1 7   ? -29.794 -9.080  -13.663 1.00 19.49 ? 24  TYR   A HE2    1 
ATOM   87   H HH     . TYR   A 1 7   ? -27.587 -11.483 -13.002 1.00 18.99 ? 24  TYR   A HH     1 
ATOM   88   N N      . PHE   A 1 8   ? -24.878 -5.657  -11.697 1.00 11.23 ? 25  PHE   A N      1 
ATOM   89   C CA     . PHE   A 1 8   ? -23.579 -6.067  -11.172 1.00 10.87 ? 25  PHE   A CA     1 
ATOM   90   C C      . PHE   A 1 8   ? -23.537 -7.584  -10.983 1.00 10.30 ? 25  PHE   A C      1 
ATOM   91   O O      . PHE   A 1 8   ? -24.459 -8.166  -10.400 1.00 11.88 ? 25  PHE   A O      1 
ATOM   92   C CB     . PHE   A 1 8   ? -23.242 -5.379  -9.837  1.00 11.73 ? 25  PHE   A CB     1 
ATOM   93   C CG     . PHE   A 1 8   ? -21.954 -5.912  -9.261  1.00 11.57 ? 25  PHE   A CG     1 
ATOM   94   C CD1    . PHE   A 1 8   ? -20.753 -5.562  -9.839  1.00 12.31 ? 25  PHE   A CD1    1 
ATOM   95   C CD2    . PHE   A 1 8   ? -21.959 -6.877  -8.257  1.00 13.06 ? 25  PHE   A CD2    1 
ATOM   96   C CE1    . PHE   A 1 8   ? -19.569 -6.133  -9.387  1.00 13.01 ? 25  PHE   A CE1    1 
ATOM   97   C CE2    . PHE   A 1 8   ? -20.752 -7.446  -7.822  1.00 13.05 ? 25  PHE   A CE2    1 
ATOM   98   C CZ     . PHE   A 1 8   ? -19.588 -7.075  -8.378  1.00 12.68 ? 25  PHE   A CZ     1 
ATOM   99   H H      . PHE   A 1 8   ? -25.517 -5.720  -11.125 1.00 13.48 ? 25  PHE   A H      1 
ATOM   100  H HA     . PHE   A 1 8   ? -22.907 -5.814  -11.824 1.00 13.05 ? 25  PHE   A HA     1 
ATOM   101  H HB2    . PHE   A 1 8   ? -23.142 -4.425  -9.982  1.00 14.08 ? 25  PHE   A HB2    1 
ATOM   102  H HB3    . PHE   A 1 8   ? -23.954 -5.545  -9.200  1.00 14.08 ? 25  PHE   A HB3    1 
ATOM   103  H HD1    . PHE   A 1 8   ? -20.735 -4.942  -10.533 1.00 14.77 ? 25  PHE   A HD1    1 
ATOM   104  H HD2    . PHE   A 1 8   ? -22.763 -7.144  -7.874  1.00 15.68 ? 25  PHE   A HD2    1 
ATOM   105  H HE1    . PHE   A 1 8   ? -18.758 -5.879  -9.767  1.00 15.62 ? 25  PHE   A HE1    1 
ATOM   106  H HE2    . PHE   A 1 8   ? -20.759 -8.083  -7.145  1.00 15.66 ? 25  PHE   A HE2    1 
ATOM   107  H HZ     . PHE   A 1 8   ? -18.792 -7.454  -8.083  1.00 15.22 ? 25  PHE   A HZ     1 
ATOM   108  N N      . CYS   A 1 9   ? -22.451 -8.197  -11.441 1.00 9.97  ? 26  CYS   A N      1 
ATOM   109  C CA     . CYS   A 1 9   ? -22.195 -9.627  -11.324 1.00 10.22 ? 26  CYS   A CA     1 
ATOM   110  C C      . CYS   A 1 9   ? -20.945 -9.874  -10.495 1.00 9.31  ? 26  CYS   A C      1 
ATOM   111  O O      . CYS   A 1 9   ? -19.887 -9.303  -10.773 1.00 11.15 ? 26  CYS   A O      1 
ATOM   112  C CB     . CYS   A 1 9   ? -21.969 -10.299 -12.698 1.00 10.87 ? 26  CYS   A CB     1 
ATOM   113  S SG     . CYS   A 1 9   ? -23.035 -9.825  -14.037 1.00 12.17 ? 26  CYS   A SG     1 
ATOM   114  H H      . CYS   A 1 9   ? -21.815 -7.783  -11.845 1.00 11.97 ? 26  CYS   A H      1 
ATOM   115  H HA     . CYS   A 1 9   ? -22.969 -10.017 -10.888 1.00 12.26 ? 26  CYS   A HA     1 
ATOM   116  H HB2    . CYS   A 1 9   ? -21.063 -10.099 -12.979 1.00 13.04 ? 26  CYS   A HB2    1 
ATOM   117  H HB3    . CYS   A 1 9   ? -22.077 -11.256 -12.581 1.00 13.04 ? 26  CYS   A HB3    1 
ATOM   118  H HG     . CYS   A 1 9   ? -22.921 -8.646  -14.229 1.00 14.61 ? 26  CYS   A HG     1 
ATOM   119  N N      . GLY   A 1 10  ? -21.035 -10.786 -9.524  1.00 9.89  ? 27  GLY   A N      1 
ATOM   120  C CA     . GLY   A 1 10  ? -19.885 -11.255 -8.767  1.00 10.62 ? 27  GLY   A CA     1 
ATOM   121  C C      . GLY   A 1 10  ? -20.213 -12.563 -8.078  1.00 9.40  ? 27  GLY   A C      1 
ATOM   122  O O      . GLY   A 1 10  ? -21.355 -12.805 -7.700  1.00 10.08 ? 27  GLY   A O      1 
ATOM   123  H H      . GLY   A 1 10  ? -21.772 -11.156 -9.282  1.00 11.87 ? 27  GLY   A H      1 
ATOM   124  H HA2    . GLY   A 1 10  ? -19.132 -11.392 -9.362  1.00 12.74 ? 27  GLY   A HA2    1 
ATOM   125  H HA3    . GLY   A 1 10  ? -19.642 -10.598 -8.096  1.00 12.74 ? 27  GLY   A HA3    1 
ATOM   126  N N      . SER   A 1 11  ? -19.201 -13.409 -7.915  1.00 9.39  ? 28  SER   A N      1 
ATOM   127  C CA     . SER   A 1 11  ? -19.377 -14.756 -7.366  1.00 9.55  ? 28  SER   A CA     1 
ATOM   128  C C      . SER   A 1 11  ? -20.069 -14.748 -6.018  1.00 9.39  ? 28  SER   A C      1 
ATOM   129  O O      . SER   A 1 11  ? -19.763 -13.931 -5.144  1.00 10.49 ? 28  SER   A O      1 
ATOM   130  C CB     . SER   A 1 11  ? -17.991 -15.370 -7.187  1.00 10.12 ? 28  SER   A CB     1 
ATOM   131  O OG     . SER   A 1 11  ? -18.042 -16.682 -6.633  1.00 10.33 ? 28  SER   A OG     1 
ATOM   132  H H      . SER   A 1 11  ? -18.385 -13.227 -8.118  1.00 11.27 ? 28  SER   A H      1 
ATOM   133  H HA     . SER   A 1 11  ? -19.925 -15.275 -7.974  1.00 11.46 ? 28  SER   A HA     1 
ATOM   134  H HB2    . SER   A 1 11  ? -17.560 -15.418 -8.054  1.00 12.14 ? 28  SER   A HB2    1 
ATOM   135  H HB3    . SER   A 1 11  ? -17.477 -14.803 -6.591  1.00 12.14 ? 28  SER   A HB3    1 
ATOM   136  H HG     . SER   A 1 11  ? -18.304 -16.647 -5.835  1.00 12.40 ? 28  SER   A HG     1 
ATOM   137  N N      . ILE   A 1 12  ? -20.995 -15.704 -5.833  1.00 9.70  ? 29  ILE   A N      1 
ATOM   138  C CA     . ILE   A 1 12  ? -21.619 -15.971 -4.544  1.00 10.91 ? 29  ILE   A CA     1 
ATOM   139  C C      . ILE   A 1 12  ? -21.370 -17.435 -4.190  1.00 11.21 ? 29  ILE   A C      1 
ATOM   140  O O      . ILE   A 1 12  ? -20.508 -17.726 -3.357  1.00 11.62 ? 29  ILE   A O      1 
ATOM   141  C CB     . ILE   A 1 12  ? -23.110 -15.595 -4.510  1.00 11.17 ? 29  ILE   A CB     1 
ATOM   142  C CG1    . ILE   A 1 12  ? -23.272 -14.098 -4.768  1.00 12.43 ? 29  ILE   A CG1    1 
ATOM   143  C CG2    . ILE   A 1 12  ? -23.698 -16.005 -3.157  1.00 13.63 ? 29  ILE   A CG2    1 
ATOM   144  C CD1    . ILE   A 1 12  ? -24.720 -13.613 -4.750  1.00 15.12 ? 29  ILE   A CD1    1 
ATOM   145  H H      . ILE   A 1 12  ? -21.281 -16.219 -6.459  1.00 11.64 ? 29  ILE   A H      1 
ATOM   146  H HA     . ILE   A 1 12  ? -21.200 -15.418 -3.866  1.00 13.09 ? 29  ILE   A HA     1 
ATOM   147  H HB     . ILE   A 1 12  ? -23.590 -16.066 -5.209  1.00 13.40 ? 29  ILE   A HB     1 
ATOM   148  H HG12   . ILE   A 1 12  ? -22.790 -13.611 -4.082  1.00 14.91 ? 29  ILE   A HG12   1 
ATOM   149  H HG13   . ILE   A 1 12  ? -22.903 -13.892 -5.642  1.00 14.91 ? 29  ILE   A HG13   1 
ATOM   150  H HG21   . ILE   A 1 12  ? -24.609 -15.676 -3.096  1.00 16.35 ? 29  ILE   A HG21   1 
ATOM   151  H HG22   . ILE   A 1 12  ? -23.690 -16.972 -3.089  1.00 16.35 ? 29  ILE   A HG22   1 
ATOM   152  H HG23   . ILE   A 1 12  ? -23.160 -15.619 -2.449  1.00 16.35 ? 29  ILE   A HG23   1 
ATOM   153  H HD11   . ILE   A 1 12  ? -24.758 -12.718 -5.123  1.00 18.15 ? 29  ILE   A HD11   1 
ATOM   154  H HD12   . ILE   A 1 12  ? -25.261 -14.216 -5.283  1.00 18.15 ? 29  ILE   A HD12   1 
ATOM   155  H HD13   . ILE   A 1 12  ? -25.038 -13.604 -3.834  1.00 18.15 ? 29  ILE   A HD13   1 
ATOM   156  N N      . ARG   A 1 13  ? -22.061 -18.361 -4.859  1.00 10.75 ? 30  ARG   A N      1 
ATOM   157  C CA     . ARG   A 1 13  ? -21.808 -19.791 -4.629  1.00 11.40 ? 30  ARG   A CA     1 
ATOM   158  C C      . ARG   A 1 13  ? -20.459 -20.227 -5.166  1.00 10.86 ? 30  ARG   A C      1 
ATOM   159  O O      . ARG   A 1 13  ? -19.944 -21.261 -4.736  1.00 12.70 ? 30  ARG   A O      1 
ATOM   160  C CB     . ARG   A 1 13  ? -22.968 -20.654 -5.139  1.00 11.65 ? 30  ARG   A CB     1 
ATOM   161  C CG     . ARG   A 1 13  ? -24.217 -20.373 -4.313  1.00 13.66 ? 30  ARG   A CG     1 
ATOM   162  C CD     . ARG   A 1 13  ? -25.367 -21.238 -4.665  1.00 14.75 ? 30  ARG   A CD     1 
ATOM   163  N NE     . ARG   A 1 13  ? -26.597 -20.814 -4.002  0.81 14.84 ? 30  ARG   A NE     1 
ATOM   164  C CZ     . ARG   A 1 13  ? -27.811 -21.185 -4.377  1.00 16.61 ? 30  ARG   A CZ     1 
ATOM   165  N NH1    . ARG   A 1 13  ? -27.994 -22.066 -5.324  0.94 15.25 ? 30  ARG   A NH1    1 
ATOM   166  N NH2    . ARG   A 1 13  ? -28.876 -20.623 -3.801  1.00 20.28 ? 30  ARG   A NH2    1 
ATOM   167  H H      . ARG   A 1 13  ? -22.672 -18.194 -5.441  1.00 12.90 ? 30  ARG   A H      1 
ATOM   168  H HA     . ARG   A 1 13  ? -21.784 -19.960 -3.674  1.00 13.68 ? 30  ARG   A HA     1 
ATOM   169  H HB2    . ARG   A 1 13  ? -23.152 -20.440 -6.067  1.00 13.98 ? 30  ARG   A HB2    1 
ATOM   170  H HB3    . ARG   A 1 13  ? -22.740 -21.593 -5.054  1.00 13.98 ? 30  ARG   A HB3    1 
ATOM   171  H HG2    . ARG   A 1 13  ? -24.012 -20.519 -3.376  1.00 16.39 ? 30  ARG   A HG2    1 
ATOM   172  H HG3    . ARG   A 1 13  ? -24.486 -19.451 -4.454  1.00 16.39 ? 30  ARG   A HG3    1 
ATOM   173  H HD2    . ARG   A 1 13  ? -25.511 -21.201 -5.623  1.00 17.70 ? 30  ARG   A HD2    1 
ATOM   174  H HD3    . ARG   A 1 13  ? -25.175 -22.149 -4.393  1.00 17.70 ? 30  ARG   A HD3    1 
ATOM   175  H HE     . ARG   A 1 13  ? -26.528 -20.289 -3.324  0.74 17.81 ? 30  ARG   A HE     1 
ATOM   176  H HH11   . ARG   A 1 13  ? -27.317 -22.419 -5.720  0.74 18.30 ? 30  ARG   A HH11   1 
ATOM   177  H HH12   . ARG   A 1 13  ? -28.791 -22.293 -5.552  0.96 18.30 ? 30  ARG   A HH12   1 
ATOM   178  H HH21   . ARG   A 1 13  ? -28.769 -20.024 -3.193  1.00 24.34 ? 30  ARG   A HH21   1 
ATOM   179  H HH22   . ARG   A 1 13  ? -29.668 -20.858 -4.039  1.00 24.34 ? 30  ARG   A HH22   1 
ATOM   180  N N      . GLY   A 1 14  ? -19.851 -19.470 -6.080  1.00 11.08 ? 31  GLY   A N      1 
ATOM   181  C CA     . GLY   A 1 14  ? -18.476 -19.749 -6.426  1.00 12.49 ? 31  GLY   A CA     1 
ATOM   182  C C      . GLY   A 1 14  ? -17.507 -19.451 -5.306  1.00 12.40 ? 31  GLY   A C      1 
ATOM   183  O O      . GLY   A 1 14  ? -16.351 -19.898 -5.351  1.00 14.49 ? 31  GLY   A O      1 
ATOM   184  H H      . GLY   A 1 14  ? -20.211 -18.809 -6.497  1.00 13.30 ? 31  GLY   A H      1 
ATOM   185  H HA2    . GLY   A 1 14  ? -18.391 -20.687 -6.658  1.00 14.99 ? 31  GLY   A HA2    1 
ATOM   186  H HA3    . GLY   A 1 14  ? -18.227 -19.210 -7.193  1.00 14.99 ? 31  GLY   A HA3    1 
ATOM   187  N N      . GLY   A 1 15  ? -17.955 -18.735 -4.300  1.00 12.13 ? 32  GLY   A N      1 
ATOM   188  C CA     . GLY   A 1 15  ? -17.124 -18.277 -3.206  1.00 13.11 ? 32  GLY   A CA     1 
ATOM   189  C C      . GLY   A 1 15  ? -17.274 -16.780 -3.029  1.00 12.17 ? 32  GLY   A C      1 
ATOM   190  O O      . GLY   A 1 15  ? -17.414 -16.033 -4.015  1.00 11.78 ? 32  GLY   A O      1 
ATOM   191  H H      . GLY   A 1 15  ? -18.775 -18.487 -4.220  1.00 14.56 ? 32  GLY   A H      1 
ATOM   192  H HA2    . GLY   A 1 15  ? -17.386 -18.720 -2.385  1.00 15.74 ? 32  GLY   A HA2    1 
ATOM   193  H HA3    . GLY   A 1 15  ? -16.194 -18.481 -3.392  1.00 15.74 ? 32  GLY   A HA3    1 
ATOM   194  N N      . ARG   A 1 16  ? -17.239 -16.314 -1.777  1.00 12.54 ? 33  ARG   A N      1 
ATOM   195  C CA     . ARG   A 1 16  ? -17.444 -14.909 -1.449  1.00 12.73 ? 33  ARG   A CA     1 
ATOM   196  C C      . ARG   A 1 16  ? -16.143 -14.202 -1.067  1.00 13.02 ? 33  ARG   A C      1 
ATOM   197  O O      . ARG   A 1 16  ? -16.160 -13.181 -0.369  1.00 13.32 ? 33  ARG   A O      1 
ATOM   198  C CB     . ARG   A 1 16  ? -18.503 -14.755 -0.362  1.00 13.56 ? 33  ARG   A CB     1 
ATOM   199  C CG     . ARG   A 1 16  ? -19.815 -15.508 -0.699  1.00 15.28 ? 33  ARG   A CG     1 
ATOM   200  C CD     . ARG   A 1 16  ? -20.973 -14.958 0.091   1.00 17.56 ? 33  ARG   A CD     1 
ATOM   201  N NE     . ARG   A 1 16  ? -21.461 -13.734 -0.514  1.00 15.75 ? 33  ARG   A NE     1 
ATOM   202  C CZ     . ARG   A 1 16  ? -22.553 -13.089 -0.127  1.00 17.41 ? 33  ARG   A CZ     1 
ATOM   203  N NH1    . ARG   A 1 16  ? -23.271 -13.512 0.903   1.00 21.46 ? 33  ARG   A NH1    1 
ATOM   204  N NH2    . ARG   A 1 16  ? -22.937 -11.999 -0.789  1.00 19.51 ? 33  ARG   A NH2    1 
ATOM   205  H H      . ARG   A 1 16  ? -17.095 -16.808 -1.088  1.00 15.05 ? 33  ARG   A H      1 
ATOM   206  H HA     . ARG   A 1 16  ? -17.779 -14.459 -2.240  1.00 15.27 ? 33  ARG   A HA     1 
ATOM   207  H HB2    . ARG   A 1 16  ? -18.156 -15.112 0.471   1.00 16.27 ? 33  ARG   A HB2    1 
ATOM   208  H HB3    . ARG   A 1 16  ? -18.714 -13.814 -0.257  1.00 16.27 ? 33  ARG   A HB3    1 
ATOM   209  H HG2    . ARG   A 1 16  ? -20.011 -15.406 -1.643  1.00 18.33 ? 33  ARG   A HG2    1 
ATOM   210  H HG3    . ARG   A 1 16  ? -19.713 -16.447 -0.480  1.00 18.33 ? 33  ARG   A HG3    1 
ATOM   211  H HD2    . ARG   A 1 16  ? -21.695 -15.606 0.104   1.00 21.07 ? 33  ARG   A HD2    1 
ATOM   212  H HD3    . ARG   A 1 16  ? -20.686 -14.763 0.997   1.00 21.07 ? 33  ARG   A HD3    1 
ATOM   213  H HE     . ARG   A 1 16  ? -21.011 -13.403 -1.168  1.00 18.90 ? 33  ARG   A HE     1 
ATOM   214  H HH11   . ARG   A 1 16  ? -23.031 -14.217 1.334   1.00 25.75 ? 33  ARG   A HH11   1 
ATOM   215  H HH12   . ARG   A 1 16  ? -23.977 -13.082 1.141   1.00 25.75 ? 33  ARG   A HH12   1 
ATOM   216  H HH21   . ARG   A 1 16  ? -22.478 -11.719 -1.460  1.00 23.42 ? 33  ARG   A HH21   1 
ATOM   217  H HH22   . ARG   A 1 16  ? -23.644 -11.574 -0.545  1.00 23.42 ? 33  ARG   A HH22   1 
ATOM   218  N N      . GLU   A 1 17  ? -15.013 -14.702 -1.569  1.00 12.29 ? 34  GLU   A N      1 
ATOM   219  C CA     . GLU   A 1 17  ? -13.710 -14.126 -1.249  1.00 13.10 ? 34  GLU   A CA     1 
ATOM   220  C C      . GLU   A 1 17  ? -13.658 -12.631 -1.512  1.00 12.87 ? 34  GLU   A C      1 
ATOM   221  O O      . GLU   A 1 17  ? -13.002 -11.891 -0.763  1.00 13.59 ? 34  GLU   A O      1 
ATOM   222  C CB     . GLU   A 1 17  ? -12.610 -14.820 -2.049  1.00 14.39 ? 34  GLU   A CB     1 
ATOM   223  C CG     . GLU   A 1 17  ? -12.369 -16.258 -1.614  1.00 16.75 ? 34  GLU   A CG     1 
ATOM   224  C CD     . GLU   A 1 17  ? -13.165 -17.300 -2.403  1.00 15.11 ? 34  GLU   A CD     1 
ATOM   225  O OE1    . GLU   A 1 17  ? -14.284 -17.043 -2.860  1.00 14.88 ? 34  GLU   A OE1    1 
ATOM   226  O OE2    . GLU   A 1 17  ? -12.703 -18.474 -2.446  1.00 17.00 ? 34  GLU   A OE2    1 
ATOM   227  H H      . GLU   A 1 17  ? -14.973 -15.378 -2.100  1.00 14.74 ? 34  GLU   A H      1 
ATOM   228  H HA     . GLU   A 1 17  ? -13.551 -14.273 -0.304  1.00 15.72 ? 34  GLU   A HA     1 
ATOM   229  H HB2    . GLU   A 1 17  ? -12.862 -14.829 -2.986  1.00 17.27 ? 34  GLU   A HB2    1 
ATOM   230  H HB3    . GLU   A 1 17  ? -11.781 -14.330 -1.934  1.00 17.27 ? 34  GLU   A HB3    1 
ATOM   231  H HG2    . GLU   A 1 17  ? -11.428 -16.461 -1.726  1.00 20.10 ? 34  GLU   A HG2    1 
ATOM   232  H HG3    . GLU   A 1 17  ? -12.618 -16.344 -0.680  1.00 20.10 ? 34  GLU   A HG3    1 
ATOM   233  N N      . ASP   A 1 18  ? -14.310 -12.172 -2.583  1.00 11.68 ? 35  ASP   A N      1 
ATOM   234  C CA     . ASP   A 1 18  ? -14.208 -10.776 -3.005  1.00 11.96 ? 35  ASP   A CA     1 
ATOM   235  C C      . ASP   A 1 18  ? -15.429 -9.944  -2.611  1.00 11.17 ? 35  ASP   A C      1 
ATOM   236  O O      . ASP   A 1 18  ? -15.635 -8.856  -3.156  1.00 11.52 ? 35  ASP   A O      1 
ATOM   237  C CB     . ASP   A 1 18  ? -13.961 -10.698 -4.509  1.00 11.48 ? 35  ASP   A CB     1 
ATOM   238  C CG     . ASP   A 1 18  ? -12.565 -11.151 -4.925  1.00 12.42 ? 35  ASP   A CG     1 
ATOM   239  O OD1    . ASP   A 1 18  ? -11.641 -11.122 -4.096  1.00 14.02 ? 35  ASP   A OD1    1 
ATOM   240  O OD2    . ASP   A 1 18  ? -12.375 -11.537 -6.110  1.00 12.98 ? 35  ASP   A OD2    1 
ATOM   241  H H      . ASP   A 1 18  ? -14.819 -12.653 -3.082  1.00 14.02 ? 35  ASP   A H      1 
ATOM   242  H HA     . ASP   A 1 18  ? -13.442 -10.380 -2.560  1.00 14.35 ? 35  ASP   A HA     1 
ATOM   243  H HB2    . ASP   A 1 18  ? -14.604 -11.266 -4.961  1.00 13.78 ? 35  ASP   A HB2    1 
ATOM   244  H HB3    . ASP   A 1 18  ? -14.071 -9.778  -4.796  1.00 13.78 ? 35  ASP   A HB3    1 
ATOM   245  N N      . ARG   A 1 19  ? -16.204 -10.407 -1.641  1.00 11.90 ? 36  ARG   A N      1 
ATOM   246  C CA     . ARG   A 1 19  ? -17.437 -9.723  -1.249  1.00 12.66 ? 36  ARG   A CA     1 
ATOM   247  C C      . ARG   A 1 19  ? -17.250 -8.244  -0.883  1.00 12.37 ? 36  ARG   A C      1 
ATOM   248  O O      . ARG   A 1 19  ? -18.065 -7.396  -1.279  1.00 13.52 ? 36  ARG   A O      1 
ATOM   249  C CB     . ARG   A 1 19  ? -18.073 -10.478 -0.089  1.00 13.99 ? 36  ARG   A CB     1 
ATOM   250  C CG     . ARG   A 1 19  ? -19.450 -10.002 0.293   1.00 15.22 ? 36  ARG   A CG     1 
ATOM   251  C CD     . ARG   A 1 19  ? -19.982 -10.787 1.452   1.00 16.59 ? 36  ARG   A CD     1 
ATOM   252  N NE     . ARG   A 1 19  ? -21.307 -10.335 1.850   1.00 20.29 ? 36  ARG   A NE     1 
ATOM   253  C CZ     . ARG   A 1 19  ? -21.944 -10.779 2.918   1.00 24.47 ? 36  ARG   A CZ     1 
ATOM   254  N NH1    . ARG   A 1 19  ? -21.391 -11.657 3.731   1.00 25.08 ? 36  ARG   A NH1    1 
ATOM   255  N NH2    . ARG   A 1 19  ? -23.163 -10.313 3.187   1.00 29.12 ? 36  ARG   A NH2    1 
ATOM   256  H H      . ARG   A 1 19  ? -16.043 -11.119 -1.188  1.00 14.28 ? 36  ARG   A H      1 
ATOM   257  H HA     . ARG   A 1 19  ? -18.030 -9.731  -2.016  1.00 15.19 ? 36  ARG   A HA     1 
ATOM   258  H HB2    . ARG   A 1 19  ? -18.145 -11.414 -0.334  1.00 16.78 ? 36  ARG   A HB2    1 
ATOM   259  H HB3    . ARG   A 1 19  ? -17.504 -10.382 0.690   1.00 16.78 ? 36  ARG   A HB3    1 
ATOM   260  H HG2    . ARG   A 1 19  ? -19.410 -9.067  0.547   1.00 18.27 ? 36  ARG   A HG2    1 
ATOM   261  H HG3    . ARG   A 1 19  ? -20.052 -10.116 -0.459  1.00 18.27 ? 36  ARG   A HG3    1 
ATOM   262  H HD2    . ARG   A 1 19  ? -20.043 -11.723 1.204   1.00 19.91 ? 36  ARG   A HD2    1 
ATOM   263  H HD3    . ARG   A 1 19  ? -19.386 -10.683 2.210   1.00 19.91 ? 36  ARG   A HD3    1 
ATOM   264  H HE     . ARG   A 1 19  ? -21.697 -9.744  1.362   1.00 24.35 ? 36  ARG   A HE     1 
ATOM   265  H HH11   . ARG   A 1 19  ? -20.599 -11.951 3.572   1.00 30.09 ? 36  ARG   A HH11   1 
ATOM   266  H HH12   . ARG   A 1 19  ? -21.821 -11.935 4.422   1.00 30.09 ? 36  ARG   A HH12   1 
ATOM   267  H HH21   . ARG   A 1 19  ? -23.525 -9.731  2.668   1.00 34.95 ? 36  ARG   A HH21   1 
ATOM   268  H HH22   . ARG   A 1 19  ? -23.588 -10.595 3.879   1.00 34.95 ? 36  ARG   A HH22   1 
ATOM   269  N N      . THR   A 1 20  ? -16.190 -7.896  -0.150  1.00 12.70 ? 37  THR   A N      1 
ATOM   270  C CA     . THR   A 1 20  ? -15.980 -6.497  0.248   1.00 13.29 ? 37  THR   A CA     1 
ATOM   271  C C      . THR   A 1 20  ? -15.708 -5.632  -0.964  1.00 12.82 ? 37  THR   A C      1 
ATOM   272  O O      . THR   A 1 20  ? -16.208 -4.501  -1.061  1.00 13.26 ? 37  THR   A O      1 
ATOM   273  C CB     . THR   A 1 20  ? -14.833 -6.420  1.254   1.00 14.48 ? 37  THR   A CB     1 
ATOM   274  O OG1    . THR   A 1 20  ? -15.169 -7.263  2.355   1.00 15.91 ? 37  THR   A OG1    1 
ATOM   275  C CG2    . THR   A 1 20  ? -14.614 -5.004  1.749   1.00 16.31 ? 37  THR   A CG2    1 
ATOM   276  H H      . THR   A 1 20  ? -15.584 -8.440  0.127   1.00 15.24 ? 37  THR   A H      1 
ATOM   277  H HA     . THR   A 1 20  ? -16.778 -6.156  0.682   1.00 15.95 ? 37  THR   A HA     1 
ATOM   278  H HB     . THR   A 1 20  ? -14.004 -6.702  0.837   1.00 17.37 ? 37  THR   A HB     1 
ATOM   279  H HG1    . THR   A 1 20  ? -15.212 -8.063  2.102   1.00 19.09 ? 37  THR   A HG1    1 
ATOM   280  H HG21   . THR   A 1 20  ? -13.959 -5.001  2.465   1.00 19.58 ? 37  THR   A HG21   1 
ATOM   281  H HG22   . THR   A 1 20  ? -14.290 -4.446  1.025   1.00 19.58 ? 37  THR   A HG22   1 
ATOM   282  H HG23   . THR   A 1 20  ? -15.447 -4.636  2.082   1.00 19.58 ? 37  THR   A HG23   1 
ATOM   283  N N      . LEU   A 1 21  ? -14.936 -6.160  -1.913  1.00 12.17 ? 38  LEU   A N      1 
ATOM   284  C CA     . LEU   A 1 21  ? -14.688 -5.465  -3.161  1.00 11.87 ? 38  LEU   A CA     1 
ATOM   285  C C      . LEU   A 1 21  ? -15.976 -5.283  -3.942  1.00 11.91 ? 38  LEU   A C      1 
ATOM   286  O O      . LEU   A 1 21  ? -16.202 -4.217  -4.537  1.00 12.23 ? 38  LEU   A O      1 
ATOM   287  C CB     . LEU   A 1 21  ? -13.667 -6.266  -3.958  1.00 12.70 ? 38  LEU   A CB     1 
ATOM   288  C CG     . LEU   A 1 21  ? -13.365 -5.788  -5.361  1.00 15.44 ? 38  LEU   A CG     1 
ATOM   289  C CD1    . LEU   A 1 21  ? -12.702 -4.411  -5.363  1.00 17.83 ? 38  LEU   A CD1    1 
ATOM   290  C CD2    . LEU   A 1 21  ? -12.464 -6.827  -6.060  1.00 16.26 ? 38  LEU   A CD2    1 
ATOM   291  H H      . LEU   A 1 21  ? -14.544 -6.924  -1.854  1.00 14.60 ? 38  LEU   A H      1 
ATOM   292  H HA     . LEU   A 1 21  ? -14.328 -4.580  -2.991  1.00 14.25 ? 38  LEU   A HA     1 
ATOM   293  H HB2    . LEU   A 1 21  ? -12.830 -6.253  -3.468  1.00 15.24 ? 38  LEU   A HB2    1 
ATOM   294  H HB3    . LEU   A 1 21  ? -13.994 -7.176  -4.033  1.00 15.24 ? 38  LEU   A HB3    1 
ATOM   295  H HG     . LEU   A 1 21  ? -14.196 -5.695  -5.853  1.00 18.53 ? 38  LEU   A HG     1 
ATOM   296  H HD11   . LEU   A 1 21  ? -12.509 -4.154  -6.278  1.00 21.40 ? 38  LEU   A HD11   1 
ATOM   297  H HD12   . LEU   A 1 21  ? -13.307 -3.768  -4.960  1.00 21.40 ? 38  LEU   A HD12   1 
ATOM   298  H HD13   . LEU   A 1 21  ? -11.879 -4.456  -4.851  1.00 21.40 ? 38  LEU   A HD13   1 
ATOM   299  H HD21   . LEU   A 1 21  ? -12.312 -6.548  -6.976  1.00 19.51 ? 38  LEU   A HD21   1 
ATOM   300  H HD22   . LEU   A 1 21  ? -11.619 -6.880  -5.586  1.00 19.51 ? 38  LEU   A HD22   1 
ATOM   301  H HD23   . LEU   A 1 21  ? -12.906 -7.690  -6.045  1.00 19.51 ? 38  LEU   A HD23   1 
ATOM   302  N N      . TYR   A 1 22  ? -16.836 -6.313  -3.972  1.00 10.41 ? 39  TYR   A N      1 
ATOM   303  C CA     . TYR   A 1 22  ? -18.103 -6.146  -4.668  1.00 10.95 ? 39  TYR   A CA     1 
ATOM   304  C C      . TYR   A 1 22  ? -18.914 -5.022  -4.048  1.00 11.77 ? 39  TYR   A C      1 
ATOM   305  O O      . TYR   A 1 22  ? -19.577 -4.256  -4.766  1.00 12.26 ? 39  TYR   A O      1 
ATOM   306  C CB     . TYR   A 1 22  ? -18.923 -7.420  -4.680  1.00 11.28 ? 39  TYR   A CB     1 
ATOM   307  C CG     . TYR   A 1 22  ? -18.246 -8.645  -5.269  1.00 10.10 ? 39  TYR   A CG     1 
ATOM   308  C CD1    . TYR   A 1 22  ? -17.163 -8.580  -6.097  1.00 10.03 ? 39  TYR   A CD1    1 
ATOM   309  C CD2    . TYR   A 1 22  ? -18.763 -9.883  -4.965  1.00 10.43 ? 39  TYR   A CD2    1 
ATOM   310  C CE1    . TYR   A 1 22  ? -16.592 -9.735  -6.601  1.00 10.31 ? 39  TYR   A CE1    1 
ATOM   311  C CE2    . TYR   A 1 22  ? -18.212 -11.056 -5.457  1.00 10.62 ? 39  TYR   A CE2    1 
ATOM   312  C CZ     . TYR   A 1 22  ? -17.125 -10.983 -6.268  1.00 9.67  ? 39  TYR   A CZ     1 
ATOM   313  O OH     . TYR   A 1 22  ? -16.584 -12.153 -6.721  1.00 10.40 ? 39  TYR   A OH     1 
ATOM   314  H H      . TYR   A 1 22  ? -16.709 -7.082  -3.610  1.00 12.50 ? 39  TYR   A H      1 
ATOM   315  H HA     . TYR   A 1 22  ? -17.898 -5.932  -5.592  1.00 13.13 ? 39  TYR   A HA     1 
ATOM   316  H HB2    . TYR   A 1 22  ? -19.160 -7.636  -3.765  1.00 13.54 ? 39  TYR   A HB2    1 
ATOM   317  H HB3    . TYR   A 1 22  ? -19.725 -7.258  -5.201  1.00 13.54 ? 39  TYR   A HB3    1 
ATOM   318  H HD1    . TYR   A 1 22  ? -16.805 -7.752  -6.324  1.00 12.03 ? 39  TYR   A HD1    1 
ATOM   319  H HD2    . TYR   A 1 22  ? -19.508 -9.935  -4.411  1.00 12.51 ? 39  TYR   A HD2    1 
ATOM   320  H HE1    . TYR   A 1 22  ? -15.853 -9.681  -7.163  1.00 12.37 ? 39  TYR   A HE1    1 
ATOM   321  H HE2    . TYR   A 1 22  ? -18.581 -11.881 -5.236  1.00 12.74 ? 39  TYR   A HE2    1 
ATOM   322  H HH     . TYR   A 1 22  ? -15.892 -11.995 -7.170  1.00 12.48 ? 39  TYR   A HH     1 
ATOM   323  N N      . GLU   A 1 23  ? -18.900 -4.929  -2.725  1.00 11.58 ? 40  GLU   A N      1 
ATOM   324  C CA     . GLU   A 1 23  ? -19.609 -3.846  -2.050  1.00 12.32 ? 40  GLU   A CA     1 
ATOM   325  C C      . GLU   A 1 23  ? -19.050 -2.485  -2.454  1.00 12.18 ? 40  GLU   A C      1 
ATOM   326  O O      . GLU   A 1 23  ? -19.805 -1.529  -2.657  1.00 12.96 ? 40  GLU   A O      1 
ATOM   327  C CB     . GLU   A 1 23  ? -19.535 -4.042  -0.541  1.00 12.72 ? 40  GLU   A CB     1 
ATOM   328  C CG     . GLU   A 1 23  ? -20.427 -5.170  -0.060  1.00 13.41 ? 40  GLU   A CG     1 
ATOM   329  C CD     . GLU   A 1 23  ? -20.076 -5.719  1.310   1.00 14.75 ? 40  GLU   A CD     1 
ATOM   330  O OE1    . GLU   A 1 23  ? -18.947 -5.499  1.796   1.00 14.87 ? 40  GLU   A OE1    1 
ATOM   331  O OE2    . GLU   A 1 23  ? -20.933 -6.417  1.901   1.00 15.91 ? 40  GLU   A OE2    1 
ATOM   332  H H      . GLU   A 1 23  ? -18.492 -5.473  -2.198  1.00 13.89 ? 40  GLU   A H      1 
ATOM   333  H HA     . GLU   A 1 23  ? -20.544 -3.868  -2.308  1.00 14.79 ? 40  GLU   A HA     1 
ATOM   334  H HB2    . GLU   A 1 23  ? -18.621 -4.253  -0.293  1.00 15.27 ? 40  GLU   A HB2    1 
ATOM   335  H HB3    . GLU   A 1 23  ? -19.818 -3.225  -0.101  1.00 15.27 ? 40  GLU   A HB3    1 
ATOM   336  H HG2    . GLU   A 1 23  ? -21.340 -4.845  -0.019  1.00 16.09 ? 40  GLU   A HG2    1 
ATOM   337  H HG3    . GLU   A 1 23  ? -20.364 -5.903  -0.692  1.00 16.09 ? 40  GLU   A HG3    1 
ATOM   338  N N      . ARG   A 1 24  ? -17.721 -2.371  -2.597  1.00 12.39 ? 41  ARG   A N      1 
ATOM   339  C CA     . ARG   A 1 24  ? -17.133 -1.129  -3.083  1.00 12.70 ? 41  ARG   A CA     1 
ATOM   340  C C      . ARG   A 1 24  ? -17.575 -0.825  -4.500  1.00 12.79 ? 41  ARG   A C      1 
ATOM   341  O O      . ARG   A 1 24  ? -17.841 0.333   -4.835  1.00 12.97 ? 41  ARG   A O      1 
ATOM   342  C CB     . ARG   A 1 24  ? -15.608 -1.208  -3.054  1.00 13.34 ? 41  ARG   A CB     1 
ATOM   343  C CG     . ARG   A 1 24  ? -15.005 -0.958  -1.696  1.00 14.72 ? 41  ARG   A CG     1 
ATOM   344  C CD     . ARG   A 1 24  ? -13.527 -1.367  -1.672  1.00 15.68 ? 41  ARG   A CD     1 
ATOM   345  N NE     . ARG   A 1 24  ? -12.738 -0.629  -2.646  1.00 17.45 ? 41  ARG   A NE     1 
ATOM   346  C CZ     . ARG   A 1 24  ? -11.546 -1.024  -3.094  1.00 18.03 ? 41  ARG   A CZ     1 
ATOM   347  N NH1    . ARG   A 1 24  ? -11.000 -2.158  -2.689  1.00 19.20 ? 41  ARG   A NH1    1 
ATOM   348  N NH2    . ARG   A 1 24  ? -10.887 -0.255  -3.958  1.00 21.16 ? 41  ARG   A NH2    1 
ATOM   349  H H      . ARG   A 1 24  ? -17.152 -2.991  -2.422  1.00 14.87 ? 41  ARG   A H      1 
ATOM   350  H HA     . ARG   A 1 24  ? -17.423 -0.416  -2.493  1.00 15.24 ? 41  ARG   A HA     1 
ATOM   351  H HB2    . ARG   A 1 24  ? -15.338 -2.096  -3.338  1.00 16.00 ? 41  ARG   A HB2    1 
ATOM   352  H HB3    . ARG   A 1 24  ? -15.251 -0.543  -3.663  1.00 16.00 ? 41  ARG   A HB3    1 
ATOM   353  H HG2    . ARG   A 1 24  ? -15.066 -0.014  -1.483  1.00 17.66 ? 41  ARG   A HG2    1 
ATOM   354  H HG3    . ARG   A 1 24  ? -15.480 -1.480  -1.029  1.00 17.66 ? 41  ARG   A HG3    1 
ATOM   355  H HD2    . ARG   A 1 24  ? -13.162 -1.191  -0.791  1.00 18.81 ? 41  ARG   A HD2    1 
ATOM   356  H HD3    . ARG   A 1 24  ? -13.455 -2.312  -1.878  1.00 18.81 ? 41  ARG   A HD3    1 
ATOM   357  H HE     . ARG   A 1 24  ? -13.061 0.107   -2.951  1.00 20.94 ? 41  ARG   A HE     1 
ATOM   358  H HH11   . ARG   A 1 24  ? -11.415 -2.658  -2.126  1.00 23.03 ? 41  ARG   A HH11   1 
ATOM   359  H HH12   . ARG   A 1 24  ? -10.230 -2.396  -2.990  1.00 23.03 ? 41  ARG   A HH12   1 
ATOM   360  H HH21   . ARG   A 1 24  ? -11.230 0.488   -4.222  1.00 25.39 ? 41  ARG   A HH21   1 
ATOM   361  H HH22   . ARG   A 1 24  ? -10.117 -0.501  -4.253  1.00 25.39 ? 41  ARG   A HH22   1 
ATOM   362  N N      . ILE   A 1 25  ? -17.626 -1.844  -5.367  1.00 11.74 ? 42  ILE   A N      1 
ATOM   363  C CA     . ILE   A 1 25  ? -18.036 -1.613  -6.744  1.00 12.26 ? 42  ILE   A CA     1 
ATOM   364  C C      . ILE   A 1 25  ? -19.474 -1.119  -6.786  1.00 12.57 ? 42  ILE   A C      1 
ATOM   365  O O      . ILE   A 1 25  ? -19.774 -0.129  -7.456  1.00 13.14 ? 42  ILE   A O      1 
ATOM   366  C CB     . ILE   A 1 25  ? -17.831 -2.881  -7.594  1.00 11.77 ? 42  ILE   A CB     1 
ATOM   367  C CG1    . ILE   A 1 25  ? -16.348 -3.172  -7.739  1.00 12.15 ? 42  ILE   A CG1    1 
ATOM   368  C CG2    . ILE   A 1 25  ? -18.479 -2.712  -8.932  1.00 12.54 ? 42  ILE   A CG2    1 
ATOM   369  C CD1    . ILE   A 1 25  ? -16.007 -4.538  -8.284  1.00 12.64 ? 42  ILE   A CD1    1 
ATOM   370  H H      . ILE   A 1 25  ? -17.430 -2.661  -5.181  1.00 14.09 ? 42  ILE   A H      1 
ATOM   371  H HA     . ILE   A 1 25  ? -17.474 -0.919  -7.123  1.00 14.71 ? 42  ILE   A HA     1 
ATOM   372  H HB     . ILE   A 1 25  ? -18.249 -3.633  -7.147  1.00 14.12 ? 42  ILE   A HB     1 
ATOM   373  H HG12   . ILE   A 1 25  ? -15.966 -2.516  -8.343  1.00 14.57 ? 42  ILE   A HG12   1 
ATOM   374  H HG13   . ILE   A 1 25  ? -15.936 -3.099  -6.864  1.00 14.57 ? 42  ILE   A HG13   1 
ATOM   375  H HG21   . ILE   A 1 25  ? -18.128 -3.383  -9.539  1.00 15.05 ? 42  ILE   A HG21   1 
ATOM   376  H HG22   . ILE   A 1 25  ? -19.437 -2.823  -8.836  1.00 15.05 ? 42  ILE   A HG22   1 
ATOM   377  H HG23   . ILE   A 1 25  ? -18.280 -1.825  -9.270  1.00 15.05 ? 42  ILE   A HG23   1 
ATOM   378  H HD11   . ILE   A 1 25  ? -15.047 -4.664  -8.240  1.00 15.16 ? 42  ILE   A HD11   1 
ATOM   379  H HD12   . ILE   A 1 25  ? -16.455 -5.212  -7.750  1.00 15.16 ? 42  ILE   A HD12   1 
ATOM   380  H HD13   . ILE   A 1 25  ? -16.306 -4.593  -9.206  1.00 15.16 ? 42  ILE   A HD13   1 
ATOM   381  N N      . VAL   A 1 26  ? -20.373 -1.800  -6.072  1.00 11.98 ? 43  VAL   A N      1 
ATOM   382  C CA     . VAL   A 1 26  ? -21.765 -1.382  -6.061  1.00 13.56 ? 43  VAL   A CA     1 
ATOM   383  C C      . VAL   A 1 26  ? -21.912 0.019   -5.479  1.00 12.57 ? 43  VAL   A C      1 
ATOM   384  O O      . VAL   A 1 26  ? -22.696 0.821   -5.988  1.00 14.56 ? 43  VAL   A O      1 
ATOM   385  C CB     . VAL   A 1 26  ? -22.621 -2.437  -5.343  1.00 13.62 ? 43  VAL   A CB     1 
ATOM   386  C CG1    . VAL   A 1 26  ? -24.009 -1.935  -5.058  1.00 16.84 ? 43  VAL   A CG1    1 
ATOM   387  C CG2    . VAL   A 1 26  ? -22.675 -3.705  -6.183  1.00 15.58 ? 43  VAL   A CG2    1 
ATOM   388  H H      . VAL   A 1 26  ? -20.201 -2.494  -5.595  1.00 14.37 ? 43  VAL   A H      1 
ATOM   389  H HA     . VAL   A 1 26  ? -22.087 -1.326  -6.975  1.00 16.27 ? 43  VAL   A HA     1 
ATOM   390  H HB     . VAL   A 1 26  ? -22.212 -2.635  -4.487  1.00 16.34 ? 43  VAL   A HB     1 
ATOM   391  H HG11   . VAL   A 1 26  ? -24.572 -2.684  -4.809  1.00 20.21 ? 43  VAL   A HG11   1 
ATOM   392  H HG12   . VAL   A 1 26  ? -23.970 -1.294  -4.331  1.00 20.21 ? 43  VAL   A HG12   1 
ATOM   393  H HG13   . VAL   A 1 26  ? -24.361 -1.508  -5.856  1.00 20.21 ? 43  VAL   A HG13   1 
ATOM   394  H HG21   . VAL   A 1 26  ? -23.215 -4.366  -5.723  1.00 18.69 ? 43  VAL   A HG21   1 
ATOM   395  H HG22   . VAL   A 1 26  ? -23.070 -3.497  -7.044  1.00 18.69 ? 43  VAL   A HG22   1 
ATOM   396  H HG23   . VAL   A 1 26  ? -21.774 -4.041  -6.306  1.00 18.69 ? 43  VAL   A HG23   1 
ATOM   397  N N      . SER   A 1 27  ? -21.184 0.329   -4.398  1.00 13.55 ? 44  SER   A N      1 
ATOM   398  C CA     . SER   A 1 27  ? -21.237 1.684   -3.849  1.00 14.35 ? 44  SER   A CA     1 
ATOM   399  C C      . SER   A 1 27  ? -20.899 2.715   -4.912  1.00 13.97 ? 44  SER   A C      1 
ATOM   400  O O      . SER   A 1 27  ? -21.564 3.743   -5.025  1.00 15.37 ? 44  SER   A O      1 
ATOM   401  C CB     . SER   A 1 27  ? -20.289 1.826   -2.663  1.00 14.66 ? 44  SER   A CB     1 
ATOM   402  O OG     . SER   A 1 27  ? -20.771 1.062   -1.562  1.00 14.89 ? 44  SER   A OG     1 
ATOM   403  H H      . SER   A 1 27  ? -20.667 -0.213  -3.977  1.00 16.26 ? 44  SER   A H      1 
ATOM   404  H HA     . SER   A 1 27  ? -22.137 1.847   -3.528  1.00 17.22 ? 44  SER   A HA     1 
ATOM   405  H HB2    . SER   A 1 27  ? -19.411 1.503   -2.916  1.00 17.59 ? 44  SER   A HB2    1 
ATOM   406  H HB3    . SER   A 1 27  ? -20.238 2.760   -2.406  1.00 17.59 ? 44  SER   A HB3    1 
ATOM   407  H HG     . SER   A 1 27  ? -20.810 0.250   -1.770  1.00 17.86 ? 44  SER   A HG     1 
ATOM   408  N N      . ARG   A 1 28  ? -19.869 2.455   -5.714  1.00 13.85 ? 45  ARG   A N      1 
ATOM   409  C CA     . ARG   A 1 28  ? -19.478 3.412   -6.744  1.00 15.75 ? 45  ARG   A CA     1 
ATOM   410  C C      . ARG   A 1 28  ? -20.488 3.442   -7.888  1.00 15.60 ? 45  ARG   A C      1 
ATOM   411  O O      . ARG   A 1 28  ? -20.844 4.514   -8.376  1.00 16.39 ? 45  ARG   A O      1 
ATOM   412  C CB     . ARG   A 1 28  ? -18.071 3.113   -7.236  1.00 15.98 ? 45  ARG   A CB     1 
ATOM   413  C CG     . ARG   A 1 28  ? -17.581 4.054   -8.354  1.00 17.57 ? 45  ARG   A CG     1 
ATOM   414  C CD     . ARG   A 1 28  ? -17.681 5.558   -7.994  1.00 18.38 ? 45  ARG   A CD     1 
ATOM   415  N NE     . ARG   A 1 28  ? -17.122 5.845   -6.684  1.00 17.86 ? 45  ARG   A NE     1 
ATOM   416  C CZ     . ARG   A 1 28  ? -16.061 6.606   -6.449  1.00 18.08 ? 45  ARG   A CZ     1 
ATOM   417  N NH1    . ARG   A 1 28  ? -15.431 7.260   -7.424  1.00 21.46 ? 45  ARG   A NH1    1 
ATOM   418  N NH2    . ARG   A 1 28  ? -15.622 6.731   -5.198  1.00 19.61 ? 45  ARG   A NH2    1 
ATOM   419  H H      . ARG   A 1 28  ? -19.388 1.743   -5.684  1.00 16.61 ? 45  ARG   A H      1 
ATOM   420  H HA     . ARG   A 1 28  ? -19.459 4.301   -6.357  1.00 18.90 ? 45  ARG   A HA     1 
ATOM   421  H HB2    . ARG   A 1 28  ? -17.457 3.197   -6.490  1.00 19.17 ? 45  ARG   A HB2    1 
ATOM   422  H HB3    . ARG   A 1 28  ? -18.050 2.207   -7.584  1.00 19.17 ? 45  ARG   A HB3    1 
ATOM   423  H HG2    . ARG   A 1 28  ? -16.650 3.857   -8.543  1.00 21.09 ? 45  ARG   A HG2    1 
ATOM   424  H HG3    . ARG   A 1 28  ? -18.119 3.904   -9.147  1.00 21.09 ? 45  ARG   A HG3    1 
ATOM   425  H HD2    . ARG   A 1 28  ? -17.191 6.077   -8.651  1.00 22.06 ? 45  ARG   A HD2    1 
ATOM   426  H HD3    . ARG   A 1 28  ? -18.614 5.824   -7.990  1.00 22.06 ? 45  ARG   A HD3    1 
ATOM   427  H HE     . ARG   A 1 28  ? -17.512 5.492   -6.003  1.00 21.43 ? 45  ARG   A HE     1 
ATOM   428  H HH11   . ARG   A 1 28  ? -15.711 7.196   -8.234  1.00 25.75 ? 45  ARG   A HH11   1 
ATOM   429  H HH12   . ARG   A 1 28  ? -14.745 7.746   -7.242  1.00 25.75 ? 45  ARG   A HH12   1 
ATOM   430  H HH21   . ARG   A 1 28  ? -16.025 6.322   -4.558  1.00 23.54 ? 45  ARG   A HH21   1 
ATOM   431  H HH22   . ARG   A 1 28  ? -14.935 7.220   -5.031  1.00 23.54 ? 45  ARG   A HH22   1 
ATOM   432  N N      . LEU   A 1 29  ? -20.977 2.277   -8.319  1.00 14.83 ? 46  LEU   A N      1 
ATOM   433  C CA     . LEU   A 1 29  ? -21.990 2.258   -9.364  1.00 15.08 ? 46  LEU   A CA     1 
ATOM   434  C C      . LEU   A 1 29  ? -23.221 3.061   -8.966  1.00 15.55 ? 46  LEU   A C      1 
ATOM   435  O O      . LEU   A 1 29  ? -23.829 3.722   -9.812  1.00 17.33 ? 46  LEU   A O      1 
ATOM   436  C CB     . LEU   A 1 29  ? -22.379 0.825   -9.710  1.00 15.12 ? 46  LEU   A CB     1 
ATOM   437  C CG     . LEU   A 1 29  ? -21.289 -0.047  -10.336 1.00 14.55 ? 46  LEU   A CG     1 
ATOM   438  C CD1    . LEU   A 1 29  ? -21.833 -1.449  -10.572 1.00 14.60 ? 46  LEU   A CD1    1 
ATOM   439  C CD2    . LEU   A 1 29  ? -20.712 0.540   -11.613 1.00 16.82 ? 46  LEU   A CD2    1 
ATOM   440  H H      . LEU   A 1 29  ? -20.742 1.502   -8.028  1.00 17.79 ? 46  LEU   A H      1 
ATOM   441  H HA     . LEU   A 1 29  ? -21.609 2.664   -10.158 1.00 18.09 ? 46  LEU   A HA     1 
ATOM   442  H HB2    . LEU   A 1 29  ? -22.663 0.385   -8.894  1.00 18.15 ? 46  LEU   A HB2    1 
ATOM   443  H HB3    . LEU   A 1 29  ? -23.115 0.858   -10.342 1.00 18.15 ? 46  LEU   A HB3    1 
ATOM   444  H HG     . LEU   A 1 29  ? -20.545 -0.091  -9.715  1.00 17.46 ? 46  LEU   A HG     1 
ATOM   445  H HD11   . LEU   A 1 29  ? -21.143 -1.990  -10.986 1.00 17.52 ? 46  LEU   A HD11   1 
ATOM   446  H HD12   . LEU   A 1 29  ? -22.090 -1.835  -9.720  1.00 17.52 ? 46  LEU   A HD12   1 
ATOM   447  H HD13   . LEU   A 1 29  ? -22.605 -1.394  -11.156 1.00 17.52 ? 46  LEU   A HD13   1 
ATOM   448  H HD21   . LEU   A 1 29  ? -20.092 -0.097  -12.002 1.00 20.19 ? 46  LEU   A HD21   1 
ATOM   449  H HD22   . LEU   A 1 29  ? -21.435 0.719   -12.234 1.00 20.19 ? 46  LEU   A HD22   1 
ATOM   450  H HD23   . LEU   A 1 29  ? -20.248 1.365   -11.400 1.00 20.19 ? 46  LEU   A HD23   1 
ATOM   451  N N      . ARG   A 1 30  ? -23.617 2.995   -7.694  1.00 16.45 ? 47  ARG   A N      1 
ATOM   452  C CA     . ARG   A 1 30  ? -24.770 3.751   -7.232  1.00 17.99 ? 47  ARG   A CA     1 
ATOM   453  C C      . ARG   A 1 30  ? -24.576 5.255   -7.409  1.00 20.35 ? 47  ARG   A C      1 
ATOM   454  O O      . ARG   A 1 30  ? -25.571 5.988   -7.509  1.00 22.13 ? 47  ARG   A O      1 
ATOM   455  C CB     . ARG   A 1 30  ? -25.048 3.453   -5.753  1.00 20.28 ? 47  ARG   A CB     1 
ATOM   456  C CG     . ARG   A 1 30  ? -25.581 2.071   -5.461  1.00 21.81 ? 47  ARG   A CG     1 
ATOM   457  C CD     . ARG   A 1 30  ? -26.082 1.949   -4.017  1.00 31.55 ? 47  ARG   A CD     1 
ATOM   458  N NE     . ARG   A 1 30  ? -26.152 0.562   -3.565  1.00 39.52 ? 47  ARG   A NE     1 
ATOM   459  C CZ     . ARG   A 1 30  ? -27.130 -0.283  -3.868  1.00 50.49 ? 47  ARG   A CZ     1 
ATOM   460  N NH1    . ARG   A 1 30  ? -28.139 0.076   -4.645  1.00 45.17 ? 47  ARG   A NH1    1 
ATOM   461  N NH2    . ARG   A 1 30  ? -27.092 -1.522  -3.383  1.00 46.82 ? 47  ARG   A NH2    1 
ATOM   462  H H      . ARG   A 1 30  ? -23.234 2.522   -7.085  1.00 19.73 ? 47  ARG   A H      1 
ATOM   463  H HA     . ARG   A 1 30  ? -25.542 3.472   -7.749  1.00 21.59 ? 47  ARG   A HA     1 
ATOM   464  H HB2    . ARG   A 1 30  ? -24.219 3.553   -5.260  1.00 24.33 ? 47  ARG   A HB2    1 
ATOM   465  H HB3    . ARG   A 1 30  ? -25.704 4.090   -5.431  1.00 24.33 ? 47  ARG   A HB3    1 
ATOM   466  H HG2    . ARG   A 1 30  ? -26.323 1.881   -6.057  1.00 26.17 ? 47  ARG   A HG2    1 
ATOM   467  H HG3    . ARG   A 1 30  ? -24.874 1.420   -5.594  1.00 26.17 ? 47  ARG   A HG3    1 
ATOM   468  H HD2    . ARG   A 1 30  ? -25.476 2.426   -3.429  1.00 37.86 ? 47  ARG   A HD2    1 
ATOM   469  H HD3    . ARG   A 1 30  ? -26.972 2.330   -3.956  1.00 37.86 ? 47  ARG   A HD3    1 
ATOM   470  H HE     . ARG   A 1 30  ? -25.514 0.271   -3.067  1.00 47.42 ? 47  ARG   A HE     1 
ATOM   471  H HH11   . ARG   A 1 30  ? -28.172 0.873   -4.966  1.00 54.21 ? 47  ARG   A HH11   1 
ATOM   472  H HH12   . ARG   A 1 30  ? -28.762 -0.487  -4.828  1.00 54.21 ? 47  ARG   A HH12   1 
ATOM   473  H HH21   . ARG   A 1 30  ? -26.439 -1.767  -2.880  1.00 56.19 ? 47  ARG   A HH21   1 
ATOM   474  H HH22   . ARG   A 1 30  ? -27.721 -2.078  -3.573  1.00 56.19 ? 47  ARG   A HH22   1 
ATOM   475  N N      . ARG   A 1 31  ? -23.332 5.743   -7.465  1.00 19.05 ? 48  ARG   A N      1 
ATOM   476  C CA     . ARG   A 1 31  ? -23.123 7.161   -7.729  1.00 21.95 ? 48  ARG   A CA     1 
ATOM   477  C C      . ARG   A 1 31  ? -23.577 7.548   -9.134  1.00 20.39 ? 48  ARG   A C      1 
ATOM   478  O O      . ARG   A 1 31  ? -23.870 8.712   -9.392  1.00 24.81 ? 48  ARG   A O      1 
ATOM   479  C CB     . ARG   A 1 31  ? -21.644 7.549   -7.636  1.00 20.67 ? 48  ARG   A CB     1 
ATOM   480  C CG     . ARG   A 1 31  ? -20.861 7.140   -6.413  1.00 25.10 ? 48  ARG   A CG     1 
ATOM   481  C CD     . ARG   A 1 31  ? -20.754 8.223   -5.403  1.00 24.23 ? 48  ARG   A CD     1 
ATOM   482  N NE     . ARG   A 1 31  ? -19.910 7.866   -4.269  1.00 20.07 ? 48  ARG   A NE     1 
ATOM   483  C CZ     . ARG   A 1 31  ? -18.723 8.411   -4.020  1.00 19.23 ? 48  ARG   A CZ     1 
ATOM   484  N NH1    . ARG   A 1 31  ? -18.179 9.294   -4.841  1.00 22.49 ? 48  ARG   A NH1    1 
ATOM   485  N NH2    . ARG   A 1 31  ? -18.055 8.034   -2.938  1.00 19.61 ? 48  ARG   A NH2    1 
ATOM   486  H H      . ARG   A 1 31  ? -22.614 5.282   -7.357  1.00 22.86 ? 48  ARG   A H      1 
ATOM   487  H HA     . ARG   A 1 31  ? -23.620 7.643   -7.050  1.00 26.34 ? 48  ARG   A HA     1 
ATOM   488  H HB2    . ARG   A 1 31  ? -21.191 7.154   -8.397  1.00 24.80 ? 48  ARG   A HB2    1 
ATOM   489  H HB3    . ARG   A 1 31  ? -21.593 8.516   -7.684  1.00 24.80 ? 48  ARG   A HB3    1 
ATOM   490  H HG2    . ARG   A 1 31  ? -21.301 6.384   -5.994  1.00 30.12 ? 48  ARG   A HG2    1 
ATOM   491  H HG3    . ARG   A 1 31  ? -19.962 6.893   -6.682  1.00 30.12 ? 48  ARG   A HG3    1 
ATOM   492  H HD2    . ARG   A 1 31  ? -20.371 9.009   -5.823  1.00 29.08 ? 48  ARG   A HD2    1 
ATOM   493  H HD3    . ARG   A 1 31  ? -21.639 8.426   -5.064  1.00 29.08 ? 48  ARG   A HD3    1 
ATOM   494  H HE     . ARG   A 1 31  ? -20.198 7.264   -3.727  1.00 24.08 ? 48  ARG   A HE     1 
ATOM   495  H HH11   . ARG   A 1 31  ? -18.595 9.529   -5.556  1.00 26.98 ? 48  ARG   A HH11   1 
ATOM   496  H HH12   . ARG   A 1 31  ? -17.410 9.634   -4.659  1.00 26.98 ? 48  ARG   A HH12   1 
ATOM   497  H HH21   . ARG   A 1 31  ? -18.390 7.445   -2.409  1.00 23.53 ? 48  ARG   A HH21   1 
ATOM   498  H HH22   . ARG   A 1 31  ? -17.286 8.379   -2.765  1.00 23.53 ? 48  ARG   A HH22   1 
ATOM   499  N N      . PHE   A 1 32  ? -23.638 6.582   -10.052 1.00 20.61 ? 49  PHE   A N      1 
ATOM   500  C CA     . PHE   A 1 32  ? -23.856 6.831   -11.467 1.00 22.74 ? 49  PHE   A CA     1 
ATOM   501  C C      . PHE   A 1 32  ? -25.246 6.460   -11.950 1.00 22.54 ? 49  PHE   A C      1 
ATOM   502  O O      . PHE   A 1 32  ? -25.728 7.056   -12.905 1.00 26.37 ? 49  PHE   A O      1 
ATOM   503  C CB     . PHE   A 1 32  ? -22.817 6.068   -12.301 1.00 24.88 ? 49  PHE   A CB     1 
ATOM   504  C CG     . PHE   A 1 32  ? -21.417 6.581   -12.124 1.00 26.90 ? 49  PHE   A CG     1 
ATOM   505  C CD1    . PHE   A 1 32  ? -21.090 7.865   -12.530 1.00 32.44 ? 49  PHE   A CD1    1 
ATOM   506  C CD2    . PHE   A 1 32  ? -20.435 5.800   -11.537 1.00 31.26 ? 49  PHE   A CD2    1 
ATOM   507  C CE1    . PHE   A 1 32  ? -19.808 8.354   -12.361 1.00 36.03 ? 49  PHE   A CE1    1 
ATOM   508  C CE2    . PHE   A 1 32  ? -19.146 6.293   -11.369 1.00 26.00 ? 49  PHE   A CE2    1 
ATOM   509  C CZ     . PHE   A 1 32  ? -18.839 7.565   -11.780 1.00 34.27 ? 49  PHE   A CZ     1 
ATOM   510  H H      . PHE   A 1 32  ? -23.551 5.747   -9.868  1.00 24.73 ? 49  PHE   A H      1 
ATOM   511  H HA     . PHE   A 1 32  ? -23.738 7.778   -11.636 1.00 27.28 ? 49  PHE   A HA     1 
ATOM   512  H HB2    . PHE   A 1 32  ? -22.827 5.134   -12.037 1.00 29.86 ? 49  PHE   A HB2    1 
ATOM   513  H HB3    . PHE   A 1 32  ? -23.047 6.150   -13.239 1.00 29.86 ? 49  PHE   A HB3    1 
ATOM   514  H HD1    . PHE   A 1 32  ? -21.740 8.403   -12.921 1.00 38.93 ? 49  PHE   A HD1    1 
ATOM   515  H HD2    . PHE   A 1 32  ? -20.640 4.938   -11.253 1.00 37.51 ? 49  PHE   A HD2    1 
ATOM   516  H HE1    . PHE   A 1 32  ? -19.600 9.216   -12.640 1.00 43.24 ? 49  PHE   A HE1    1 
ATOM   517  H HE2    . PHE   A 1 32  ? -18.491 5.760   -10.978 1.00 31.20 ? 49  PHE   A HE2    1 
ATOM   518  H HZ     . PHE   A 1 32  ? -17.977 7.895   -11.667 1.00 41.13 ? 49  PHE   A HZ     1 
ATOM   519  N N      . GLY   A 1 33  ? -25.891 5.495   -11.311 1.00 21.25 ? 50  GLY   A N      1 
ATOM   520  C CA     . GLY   A 1 33  ? -27.163 5.029   -11.814 1.00 21.58 ? 50  GLY   A CA     1 
ATOM   521  C C      . GLY   A 1 33  ? -27.844 4.128   -10.816 1.00 20.91 ? 50  GLY   A C      1 
ATOM   522  O O      . GLY   A 1 33  ? -27.395 3.981   -9.679  1.00 25.70 ? 50  GLY   A O      1 
ATOM   523  H H      . GLY   A 1 33  ? -25.616 5.104   -10.596 1.00 25.50 ? 50  GLY   A H      1 
ATOM   524  H HA2    . GLY   A 1 33  ? -27.741 5.787   -11.994 1.00 25.90 ? 50  GLY   A HA2    1 
ATOM   525  H HA3    . GLY   A 1 33  ? -27.026 4.534   -12.637 1.00 25.90 ? 50  GLY   A HA3    1 
ATOM   526  N N      . THR   A 1 34  ? -28.948 3.532   -11.260 1.00 22.71 ? 51  THR   A N      1 
ATOM   527  C CA     . THR   A 1 34  ? -29.728 2.622   -10.433 1.00 22.14 ? 51  THR   A CA     1 
ATOM   528  C C      . THR   A 1 34  ? -29.138 1.225   -10.586 1.00 19.44 ? 51  THR   A C      1 
ATOM   529  O O      . THR   A 1 34  ? -29.109 0.685   -11.693 1.00 19.67 ? 51  THR   A O      1 
ATOM   530  C CB     . THR   A 1 34  ? -31.172 2.616   -10.930 1.00 24.26 ? 51  THR   A CB     1 
ATOM   531  O OG1    . THR   A 1 34  ? -31.790 3.882   -10.663 1.00 30.97 ? 51  THR   A OG1    1 
ATOM   532  C CG2    . THR   A 1 34  ? -31.982 1.526   -10.246 1.00 30.66 ? 51  THR   A CG2    1 
ATOM   533  H H      . THR   A 1 34  ? -29.269 3.642   -12.051 1.00 27.25 ? 51  THR   A H      1 
ATOM   534  H HA     . THR   A 1 34  ? -29.700 2.889   -9.501  1.00 26.56 ? 51  THR   A HA     1 
ATOM   535  H HB     . THR   A 1 34  ? -31.168 2.446   -11.885 1.00 29.12 ? 51  THR   A HB     1 
ATOM   536  H HG1    . THR   A 1 34  ? -32.584 3.878   -10.937 1.00 37.17 ? 51  THR   A HG1    1 
ATOM   537  H HG21   . THR   A 1 34  ? -32.930 1.700   -10.354 1.00 36.79 ? 51  THR   A HG21   1 
ATOM   538  H HG22   . THR   A 1 34  ? -31.774 0.663   -10.636 1.00 36.79 ? 51  THR   A HG22   1 
ATOM   539  H HG23   . THR   A 1 34  ? -31.773 1.502   -9.299  1.00 36.79 ? 51  THR   A HG23   1 
ATOM   540  N N      . VAL   A 1 35  ? -28.677 0.637   -9.491  1.00 19.34 ? 52  VAL   A N      1 
ATOM   541  C CA     . VAL   A 1 35  ? -28.156 -0.727  -9.509  1.00 18.87 ? 52  VAL   A CA     1 
ATOM   542  C C      . VAL   A 1 35  ? -29.331 -1.685  -9.329  1.00 19.67 ? 52  VAL   A C      1 
ATOM   543  O O      . VAL   A 1 35  ? -29.861 -1.833  -8.226  1.00 22.27 ? 52  VAL   A O      1 
ATOM   544  C CB     . VAL   A 1 35  ? -27.084 -0.947  -8.436  1.00 20.35 ? 52  VAL   A CB     1 
ATOM   545  C CG1    . VAL   A 1 35  ? -26.595 -2.395  -8.462  1.00 21.57 ? 52  VAL   A CG1    1 
ATOM   546  C CG2    . VAL   A 1 35  ? -25.935 0.023   -8.641  1.00 19.80 ? 52  VAL   A CG2    1 
ATOM   547  H H      . VAL   A 1 35  ? -28.655 1.009   -8.716  1.00 23.21 ? 52  VAL   A H      1 
ATOM   548  H HA     . VAL   A 1 35  ? -27.753 -0.896  -10.375 1.00 22.64 ? 52  VAL   A HA     1 
ATOM   549  H HB     . VAL   A 1 35  ? -27.465 -0.780  -7.560  1.00 24.42 ? 52  VAL   A HB     1 
ATOM   550  H HG11   . VAL   A 1 35  ? -25.792 -2.467  -7.924  1.00 25.89 ? 52  VAL   A HG11   1 
ATOM   551  H HG12   . VAL   A 1 35  ? -27.288 -2.969  -8.100  1.00 25.89 ? 52  VAL   A HG12   1 
ATOM   552  H HG13   . VAL   A 1 35  ? -26.403 -2.647  -9.379  1.00 25.89 ? 52  VAL   A HG13   1 
ATOM   553  H HG21   . VAL   A 1 35  ? -25.244 -0.164  -7.986  1.00 23.76 ? 52  VAL   A HG21   1 
ATOM   554  H HG22   . VAL   A 1 35  ? -25.581 -0.092  -9.537  1.00 23.76 ? 52  VAL   A HG22   1 
ATOM   555  H HG23   . VAL   A 1 35  ? -26.262 0.929   -8.528  1.00 23.76 ? 52  VAL   A HG23   1 
ATOM   556  N N      . LEU   A 1 36  ? -29.728 -2.342  -10.420 1.00 19.41 ? 53  LEU   A N      1 
ATOM   557  C CA     . LEU   A 1 36  ? -30.897 -3.220  -10.404 1.00 20.34 ? 53  LEU   A CA     1 
ATOM   558  C C      . LEU   A 1 36  ? -30.659 -4.431  -9.515  1.00 21.30 ? 53  LEU   A C      1 
ATOM   559  O O      . LEU   A 1 36  ? -31.614 -4.986  -8.964  1.00 22.78 ? 53  LEU   A O      1 
ATOM   560  C CB     . LEU   A 1 36  ? -31.230 -3.664  -11.825 1.00 20.21 ? 53  LEU   A CB     1 
ATOM   561  C CG     . LEU   A 1 36  ? -31.565 -2.551  -12.816 1.00 20.37 ? 53  LEU   A CG     1 
ATOM   562  C CD1    . LEU   A 1 36  ? -31.617 -3.131  -14.223 1.00 22.41 ? 53  LEU   A CD1    1 
ATOM   563  C CD2    . LEU   A 1 36  ? -32.865 -1.875  -12.438 1.00 24.94 ? 53  LEU   A CD2    1 
ATOM   564  H H      . LEU   A 1 36  ? -29.338 -2.296  -11.185 1.00 23.29 ? 53  LEU   A H      1 
ATOM   565  H HA     . LEU   A 1 36  ? -31.659 -2.732  -10.056 1.00 24.40 ? 53  LEU   A HA     1 
ATOM   566  H HB2    . LEU   A 1 36  ? -30.464 -4.143  -12.180 1.00 24.25 ? 53  LEU   A HB2    1 
ATOM   567  H HB3    . LEU   A 1 36  ? -32.000 -4.253  -11.785 1.00 24.25 ? 53  LEU   A HB3    1 
ATOM   568  H HG     . LEU   A 1 36  ? -30.878 -1.866  -12.796 1.00 24.44 ? 53  LEU   A HG     1 
ATOM   569  H HD11   . LEU   A 1 36  ? -31.861 -2.428  -14.846 1.00 26.89 ? 53  LEU   A HD11   1 
ATOM   570  H HD12   . LEU   A 1 36  ? -30.744 -3.485  -14.452 1.00 26.89 ? 53  LEU   A HD12   1 
ATOM   571  H HD13   . LEU   A 1 36  ? -32.279 -3.839  -14.249 1.00 26.89 ? 53  LEU   A HD13   1 
ATOM   572  H HD21   . LEU   A 1 36  ? -33.098 -1.231  -13.125 1.00 29.93 ? 53  LEU   A HD21   1 
ATOM   573  H HD22   . LEU   A 1 36  ? -33.561 -2.547  -12.364 1.00 29.93 ? 53  LEU   A HD22   1 
ATOM   574  H HD23   . LEU   A 1 36  ? -32.750 -1.424  -11.587 1.00 29.93 ? 53  LEU   A HD23   1 
ATOM   575  N N      . THR   A 1 37  ? -29.393 -4.855  -9.425  1.00 21.17 ? 54  THR   A N      1 
ATOM   576  C CA     . THR   A 1 37  ? -28.810 -5.901  -8.588  1.00 28.26 ? 54  THR   A CA     1 
ATOM   577  C C      . THR   A 1 37  ? -28.680 -7.203  -9.368  1.00 34.22 ? 54  THR   A C      1 
ATOM   578  O O      . THR   A 1 37  ? -28.307 -7.198  -10.554 1.00 25.62 ? 54  THR   A O      1 
ATOM   579  C CB     . THR   A 1 37  ? -29.490 -6.046  -7.255  1.00 32.28 ? 54  THR   A CB     1 
ATOM   580  O OG1    . THR   A 1 37  ? -29.275 -4.843  -6.503  1.00 34.84 ? 54  THR   A OG1    1 
ATOM   581  C CG2    . THR   A 1 37  ? -28.857 -7.184  -6.501  1.00 30.03 ? 54  THR   A CG2    1 
ATOM   582  H H      . THR   A 1 37  ? -28.771 -4.505  -9.904  1.00 25.40 ? 54  THR   A H      1 
ATOM   583  H HA     . THR   A 1 37  ? -27.904 -5.661  -8.338  1.00 33.91 ? 54  THR   A HA     1 
ATOM   584  H HB     . THR   A 1 37  ? -30.439 -6.212  -7.370  1.00 38.74 ? 54  THR   A HB     1 
ATOM   585  H HG1    . THR   A 1 37  ? -29.637 -4.908  -5.748  1.00 41.81 ? 54  THR   A HG1    1 
ATOM   586  H HG21   . THR   A 1 37  ? -29.084 -7.126  -5.560  1.00 36.03 ? 54  THR   A HG21   1 
ATOM   587  H HG22   . THR   A 1 37  ? -29.177 -8.031  -6.850  1.00 36.03 ? 54  THR   A HG22   1 
ATOM   588  H HG23   . THR   A 1 37  ? -27.893 -7.149  -6.596  1.00 36.03 ? 54  THR   A HG23   1 
ATOM   589  N N      . GLY   A 1 54  ? -39.555 -18.794 -4.608  1.00 65.98 ? 71  GLY   A N      1 
ATOM   590  C CA     . GLY   A 1 54  ? -39.494 -19.760 -5.687  1.00 75.58 ? 71  GLY   A CA     1 
ATOM   591  C C      . GLY   A 1 54  ? -38.086 -20.270 -5.911  1.00 65.08 ? 71  GLY   A C      1 
ATOM   592  O O      . GLY   A 1 54  ? -37.740 -20.724 -7.004  1.00 63.05 ? 71  GLY   A O      1 
ATOM   593  H HA2    . GLY   A 1 54  ? -40.065 -20.515 -5.477  1.00 90.69 ? 71  GLY   A HA2    1 
ATOM   594  H HA3    . GLY   A 1 54  ? -39.806 -19.347 -6.508  1.00 90.69 ? 71  GLY   A HA3    1 
ATOM   595  N N      . GLY   A 1 55  ? -37.270 -20.172 -4.863  1.00 47.17 ? 72  GLY   A N      1 
ATOM   596  C CA     . GLY   A 1 55  ? -35.967 -20.809 -4.864  1.00 34.17 ? 72  GLY   A CA     1 
ATOM   597  C C      . GLY   A 1 55  ? -35.065 -20.281 -5.956  1.00 27.43 ? 72  GLY   A C      1 
ATOM   598  O O      . GLY   A 1 55  ? -35.071 -19.095 -6.294  1.00 26.29 ? 72  GLY   A O      1 
ATOM   599  H H      . GLY   A 1 55  ? -37.451 -19.741 -4.141  1.00 56.60 ? 72  GLY   A H      1 
ATOM   600  H HA2    . GLY   A 1 55  ? -35.534 -20.654 -4.010  1.00 41.00 ? 72  GLY   A HA2    1 
ATOM   601  H HA3    . GLY   A 1 55  ? -36.077 -21.764 -4.994  1.00 41.00 ? 72  GLY   A HA3    1 
ATOM   602  N N      . ASP   A 1 56  ? -34.268 -21.185 -6.522  1.00 25.89 ? 73  ASP   A N      1 
ATOM   603  C CA     . ASP   A 1 56  ? -33.314 -20.767 -7.536  1.00 22.75 ? 73  ASP   A CA     1 
ATOM   604  C C      . ASP   A 1 56  ? -33.998 -20.338 -8.833  1.00 21.49 ? 73  ASP   A C      1 
ATOM   605  O O      . ASP   A 1 56  ? -33.478 -19.476 -9.552  1.00 19.04 ? 73  ASP   A O      1 
ATOM   606  C CB     . ASP   A 1 56  ? -32.284 -21.878 -7.775  1.00 24.89 ? 73  ASP   A CB     1 
ATOM   607  C CG     . ASP   A 1 56  ? -31.323 -22.080 -6.584  1.00 23.95 ? 73  ASP   A CG     1 
ATOM   608  O OD1    . ASP   A 1 56  ? -31.344 -21.287 -5.623  1.00 27.62 ? 73  ASP   A OD1    1 
ATOM   609  O OD2    . ASP   A 1 56  ? -30.510 -23.023 -6.649  1.00 26.98 ? 73  ASP   A OD2    1 
ATOM   610  H H      . ASP   A 1 56  ? -34.263 -22.025 -6.339  1.00 31.07 ? 73  ASP   A H      1 
ATOM   611  H HA     . ASP   A 1 56  ? -32.829 -19.991 -7.212  1.00 27.29 ? 73  ASP   A HA     1 
ATOM   612  H HB2    . ASP   A 1 56  ? -32.753 -22.714 -7.926  1.00 29.87 ? 73  ASP   A HB2    1 
ATOM   613  H HB3    . ASP   A 1 56  ? -31.752 -21.651 -8.554  1.00 29.87 ? 73  ASP   A HB3    1 
ATOM   614  N N      . ARG   A 1 57  ? -35.148 -20.910 -9.148  1.00 23.12 ? 74  ARG   A N      1 
ATOM   615  C CA     . ARG   A 1 57  ? -35.875 -20.525 -10.373 1.00 22.79 ? 74  ARG   A CA     1 
ATOM   616  C C      . ARG   A 1 57  ? -36.213 -19.025 -10.292 1.00 22.04 ? 74  ARG   A C      1 
ATOM   617  O O      . ARG   A 1 57  ? -36.068 -18.376 -11.266 1.00 21.47 ? 74  ARG   A O      1 
ATOM   618  C CB     . ARG   A 1 57  ? -37.163 -21.314 -10.633 1.00 26.69 ? 74  ARG   A CB     1 
ATOM   619  C CG     . ARG   A 1 57  ? -37.927 -20.939 -11.891 1.00 27.89 ? 74  ARG   A CG     1 
ATOM   620  C CD     . ARG   A 1 57  ? -37.087 -21.105 -13.131 1.00 29.40 ? 74  ARG   A CD     1 
ATOM   621  N NE     . ARG   A 1 57  ? -37.900 -21.119 -14.348 1.00 35.04 ? 74  ARG   A NE     1 
ATOM   622  C CZ     . ARG   A 1 57  ? -37.433 -21.328 -15.567 1.00 40.26 ? 74  ARG   A CZ     1 
ATOM   623  N NH1    . ARG   A 1 57  ? -36.194 -21.750 -15.750 1.00 35.17 ? 74  ARG   A NH1    1 
ATOM   624  N NH2    . ARG   A 1 57  ? -38.214 -21.108 -16.604 1.00 42.64 ? 74  ARG   A NH2    1 
ATOM   625  H H      . ARG   A 1 57  ? -35.538 -21.540 -8.634  1.00 27.75 ? 74  ARG   A H      1 
ATOM   626  H HA     . ARG   A 1 57  ? -35.266 -20.664 -11.142 1.00 27.35 ? 74  ARG   A HA     1 
ATOM   627  H HB2    . ARG   A 1 57  ? -36.932 -22.265 -10.685 1.00 32.03 ? 74  ARG   A HB2    1 
ATOM   628  H HB3    . ARG   A 1 57  ? -37.756 -21.196 -9.861  1.00 32.03 ? 74  ARG   A HB3    1 
ATOM   629  H HG2    . ARG   A 1 57  ? -38.721 -21.508 -11.968 1.00 33.47 ? 74  ARG   A HG2    1 
ATOM   630  H HG3    . ARG   A 1 57  ? -38.228 -20.007 -11.831 1.00 33.47 ? 74  ARG   A HG3    1 
ATOM   631  H HD2    . ARG   A 1 57  ? -36.441 -20.372 -13.187 1.00 35.28 ? 74  ARG   A HD2    1 
ATOM   632  H HD3    . ARG   A 1 57  ? -36.591 -21.946 -13.064 1.00 35.28 ? 74  ARG   A HD3    1 
ATOM   633  H HE     . ARG   A 1 57  ? -38.753 -20.972 -14.266 1.00 42.05 ? 74  ARG   A HE     1 
ATOM   634  H HH11   . ARG   A 1 57  ? -35.514 -21.206 -15.589 1.00 42.21 ? 74  ARG   A HH11   1 
ATOM   635  H HH12   . ARG   A 1 57  ? -36.046 -22.578 -16.026 1.00 42.21 ? 74  ARG   A HH12   1 
ATOM   636  H HH21   . ARG   A 1 57  ? -38.799 -20.446 -16.577 1.00 51.17 ? 74  ARG   A HH21   1 
ATOM   637  H HH22   . ARG   A 1 57  ? -38.147 -21.623 -17.318 1.00 51.17 ? 74  ARG   A HH22   1 
ATOM   638  N N      . LEU   A 1 58  ? -36.745 -18.550 -9.179  1.00 22.79 ? 75  LEU   A N      1 
ATOM   639  C CA     . LEU   A 1 58  ? -37.118 -17.144 -9.096  1.00 22.44 ? 75  LEU   A CA     1 
ATOM   640  C C      . LEU   A 1 58  ? -35.885 -16.252 -9.218  1.00 21.06 ? 75  LEU   A C      1 
ATOM   641  O O      . LEU   A 1 58  ? -35.953 -15.182 -9.835  1.00 21.93 ? 75  LEU   A O      1 
ATOM   642  C CB     . LEU   A 1 58  ? -37.892 -16.856 -7.814  1.00 25.99 ? 75  LEU   A CB     1 
ATOM   643  C CG     . LEU   A 1 58  ? -38.095 -15.378 -7.465  1.00 35.35 ? 75  LEU   A CG     1 
ATOM   644  C CD1    . LEU   A 1 58  ? -39.238 -14.835 -8.310  1.00 37.92 ? 75  LEU   A CD1    1 
ATOM   645  C CD2    . LEU   A 1 58  ? -38.413 -15.174 -5.990  1.00 44.50 ? 75  LEU   A CD2    1 
ATOM   646  H H      . LEU   A 1 58  ? -36.890 -19.014 -8.470  1.00 27.35 ? 75  LEU   A H      1 
ATOM   647  H HA     . LEU   A 1 58  ? -37.717 -16.935 -9.830  1.00 26.92 ? 75  LEU   A HA     1 
ATOM   648  H HB2    . LEU   A 1 58  ? -38.772 -17.254 -7.897  1.00 31.19 ? 75  LEU   A HB2    1 
ATOM   649  H HB3    . LEU   A 1 58  ? -37.412 -17.262 -7.075  1.00 31.19 ? 75  LEU   A HB3    1 
ATOM   650  H HG     . LEU   A 1 58  ? -37.273 -14.896 -7.647  1.00 42.42 ? 75  LEU   A HG     1 
ATOM   651  H HD11   . LEU   A 1 58  ? -39.375 -13.900 -8.091  1.00 45.51 ? 75  LEU   A HD11   1 
ATOM   652  H HD12   . LEU   A 1 58  ? -39.008 -14.925 -9.248  1.00 45.51 ? 75  LEU   A HD12   1 
ATOM   653  H HD13   . LEU   A 1 58  ? -40.042 -15.342 -8.116  1.00 45.51 ? 75  LEU   A HD13   1 
ATOM   654  H HD21   . LEU   A 1 58  ? -38.530 -14.226 -5.820  1.00 53.41 ? 75  LEU   A HD21   1 
ATOM   655  H HD22   . LEU   A 1 58  ? -39.229 -15.652 -5.774  1.00 53.41 ? 75  LEU   A HD22   1 
ATOM   656  H HD23   . LEU   A 1 58  ? -37.678 -15.517 -5.458  1.00 53.41 ? 75  LEU   A HD23   1 
ATOM   657  N N      . ILE   A 1 59  ? -34.758 -16.650 -8.627  1.00 20.03 ? 76  ILE   A N      1 
ATOM   658  C CA     . ILE   A 1 59  ? -33.516 -15.898 -8.779  1.00 17.68 ? 76  ILE   A CA     1 
ATOM   659  C C      . ILE   A 1 59  ? -33.160 -15.756 -10.252 1.00 17.33 ? 76  ILE   A C      1 
ATOM   660  O O      . ILE   A 1 59  ? -32.875 -14.656 -10.741 1.00 17.06 ? 76  ILE   A O      1 
ATOM   661  C CB     . ILE   A 1 59  ? -32.390 -16.576 -7.981  1.00 19.93 ? 76  ILE   A CB     1 
ATOM   662  C CG1    . ILE   A 1 59  ? -32.633 -16.457 -6.477  1.00 21.51 ? 76  ILE   A CG1    1 
ATOM   663  C CG2    . ILE   A 1 59  ? -31.061 -15.970 -8.353  1.00 20.02 ? 76  ILE   A CG2    1 
ATOM   664  C CD1    . ILE   A 1 59  ? -31.697 -17.305 -5.634  1.00 24.92 ? 76  ILE   A CD1    1 
ATOM   665  H H      . ILE   A 1 59  ? -34.686 -17.352 -8.135  1.00 24.04 ? 76  ILE   A H      1 
ATOM   666  H HA     . ILE   A 1 59  ? -33.644 -15.005 -8.421  1.00 21.22 ? 76  ILE   A HA     1 
ATOM   667  H HB     . ILE   A 1 59  ? -32.384 -17.520 -8.206  1.00 23.92 ? 76  ILE   A HB     1 
ATOM   668  H HG12   . ILE   A 1 59  ? -32.511 -15.532 -6.214  1.00 25.81 ? 76  ILE   A HG12   1 
ATOM   669  H HG13   . ILE   A 1 59  ? -33.541 -16.740 -6.285  1.00 25.81 ? 76  ILE   A HG13   1 
ATOM   670  H HG21   . ILE   A 1 59  ? -30.409 -16.199 -7.672  1.00 24.02 ? 76  ILE   A HG21   1 
ATOM   671  H HG22   . ILE   A 1 59  ? -30.782 -16.324 -9.211  1.00 24.02 ? 76  ILE   A HG22   1 
ATOM   672  H HG23   . ILE   A 1 59  ? -31.158 -15.007 -8.408  1.00 24.02 ? 76  ILE   A HG23   1 
ATOM   673  H HD11   . ILE   A 1 59  ? -32.044 -17.355 -4.729  1.00 29.90 ? 76  ILE   A HD11   1 
ATOM   674  H HD12   . ILE   A 1 59  ? -31.644 -18.195 -6.018  1.00 29.90 ? 76  ILE   A HD12   1 
ATOM   675  H HD13   . ILE   A 1 59  ? -30.818 -16.895 -5.628  1.00 29.90 ? 76  ILE   A HD13   1 
ATOM   676  N N      . HIS   A 1 60  ? -33.168 -16.865 -10.983 1.00 16.51 ? 77  HIS   A N      1 
ATOM   677  C CA     . HIS   A 1 60  ? -32.815 -16.837 -12.404 1.00 16.29 ? 77  HIS   A CA     1 
ATOM   678  C C      . HIS   A 1 60  ? -33.762 -15.939 -13.188 1.00 16.75 ? 77  HIS   A C      1 
ATOM   679  O O      . HIS   A 1 60  ? -33.320 -15.114 -14.004 1.00 16.46 ? 77  HIS   A O      1 
ATOM   680  C CB     . HIS   A 1 60  ? -32.871 -18.260 -12.967 1.00 17.46 ? 77  HIS   A CB     1 
ATOM   681  C CG     . HIS   A 1 60  ? -32.599 -18.348 -14.436 1.00 17.63 ? 77  HIS   A CG     1 
ATOM   682  N ND1    . HIS   A 1 60  ? -33.586 -18.239 -15.391 1.00 19.93 ? 77  HIS   A ND1    1 
ATOM   683  C CD2    . HIS   A 1 60  ? -31.443 -18.556 -15.114 1.00 16.74 ? 77  HIS   A CD2    1 
ATOM   684  C CE1    . HIS   A 1 60  ? -33.048 -18.362 -16.595 1.00 20.32 ? 77  HIS   A CE1    1 
ATOM   685  N NE2    . HIS   A 1 60  ? -31.746 -18.559 -16.453 1.00 17.98 ? 77  HIS   A NE2    1 
ATOM   686  H H      . HIS   A 1 60  ? -33.373 -17.646 -10.686 1.00 19.82 ? 77  HIS   A H      1 
ATOM   687  H HA     . HIS   A 1 60  ? -31.914 -16.490 -12.497 1.00 19.54 ? 77  HIS   A HA     1 
ATOM   688  H HB2    . HIS   A 1 60  ? -32.208 -18.801 -12.512 1.00 20.96 ? 77  HIS   A HB2    1 
ATOM   689  H HB3    . HIS   A 1 60  ? -33.758 -18.620 -12.811 1.00 20.96 ? 77  HIS   A HB3    1 
ATOM   690  H HD1    . HIS   A 1 60  ? -34.421 -18.111 -15.230 1.00 23.92 ? 77  HIS   A HD1    1 
ATOM   691  H HD2    . HIS   A 1 60  ? -30.600 -18.674 -14.741 1.00 20.09 ? 77  HIS   A HD2    1 
ATOM   692  H HE1    . HIS   A 1 60  ? -33.506 -18.317 -17.403 1.00 24.38 ? 77  HIS   A HE1    1 
ATOM   693  H HE2    . HIS   A 1 60  ? -31.183 -18.671 -17.094 1.00 21.58 ? 77  HIS   A HE2    1 
ATOM   694  N N      . GLU   A 1 61  ? -35.069 -16.092 -12.965 1.00 18.26 ? 78  GLU   A N      1 
ATOM   695  C CA     . GLU   A 1 61  ? -36.033 -15.323 -13.745 1.00 19.21 ? 78  GLU   A CA     1 
ATOM   696  C C      . GLU   A 1 61  ? -35.949 -13.832 -13.453 1.00 20.22 ? 78  GLU   A C      1 
ATOM   697  O O      . GLU   A 1 61  ? -35.990 -13.017 -14.380 1.00 19.18 ? 78  GLU   A O      1 
ATOM   698  C CB     . GLU   A 1 61  ? -37.453 -15.840 -13.521 1.00 22.37 ? 78  GLU   A CB     1 
ATOM   699  C CG     . GLU   A 1 61  ? -37.594 -17.301 -13.904 1.00 23.79 ? 78  GLU   A CG     1 
ATOM   700  C CD     . GLU   A 1 61  ? -37.419 -17.495 -15.395 1.00 26.63 ? 78  GLU   A CD     1 
ATOM   701  O OE1    . GLU   A 1 61  ? -38.341 -17.129 -16.152 1.00 35.68 ? 78  GLU   A OE1    1 
ATOM   702  O OE2    . GLU   A 1 61  ? -36.341 -17.971 -15.815 1.00 25.08 ? 78  GLU   A OE2    1 
ATOM   703  H H      . GLU   A 1 61  ? -35.413 -16.622 -12.382 1.00 21.91 ? 78  GLU   A H      1 
ATOM   704  H HA     . GLU   A 1 61  ? -35.820 -15.450 -14.683 1.00 23.05 ? 78  GLU   A HA     1 
ATOM   705  H HB2    . GLU   A 1 61  ? -37.681 -15.748 -12.582 1.00 26.84 ? 78  GLU   A HB2    1 
ATOM   706  H HB3    . GLU   A 1 61  ? -38.069 -15.323 -14.064 1.00 26.84 ? 78  GLU   A HB3    1 
ATOM   707  H HG2    . GLU   A 1 61  ? -36.916 -17.821 -13.445 1.00 28.55 ? 78  GLU   A HG2    1 
ATOM   708  H HG3    . GLU   A 1 61  ? -38.478 -17.615 -13.655 1.00 28.55 ? 78  GLU   A HG3    1 
ATOM   709  N N      . GLN   A 1 62  ? -35.845 -13.458 -12.177 1.00 18.15 ? 79  GLN   A N      1 
ATOM   710  C CA     . GLN   A 1 62  ? -35.748 -12.039 -11.852 1.00 18.49 ? 79  GLN   A CA     1 
ATOM   711  C C      . GLN   A 1 62  ? -34.460 -11.446 -12.393 1.00 17.49 ? 79  GLN   A C      1 
ATOM   712  O O      . GLN   A 1 62  ? -34.464 -10.323 -12.934 1.00 18.21 ? 79  GLN   A O      1 
ATOM   713  C CB     . GLN   A 1 62  ? -35.922 -11.786 -10.357 1.00 22.01 ? 79  GLN   A CB     1 
ATOM   714  C CG     . GLN   A 1 62  ? -34.956 -12.424 -9.399  1.00 34.56 ? 79  GLN   A CG     1 
ATOM   715  C CD     . GLN   A 1 62  ? -35.383 -12.338 -7.916  1.00 40.07 ? 79  GLN   A CD     1 
ATOM   716  O OE1    . GLN   A 1 62  ? -34.597 -12.680 -7.031  1.00 38.55 ? 79  GLN   A OE1    1 
ATOM   717  N NE2    . GLN   A 1 62  ? -36.614 -11.876 -7.651  1.00 34.85 ? 79  GLN   A NE2    1 
ATOM   718  H H      . GLN   A 1 62  ? -35.830 -13.990 -11.502 1.00 21.78 ? 79  GLN   A H      1 
ATOM   719  H HA     . GLN   A 1 62  ? -36.487 -11.576 -12.277 1.00 22.19 ? 79  GLN   A HA     1 
ATOM   720  H HB2    . GLN   A 1 62  ? -35.860 -10.829 -10.213 1.00 26.42 ? 79  GLN   A HB2    1 
ATOM   721  H HB3    . GLN   A 1 62  ? -36.805 -12.102 -10.108 1.00 26.42 ? 79  GLN   A HB3    1 
ATOM   722  H HG2    . GLN   A 1 62  ? -34.869 -13.363 -9.625  1.00 41.47 ? 79  GLN   A HG2    1 
ATOM   723  H HG3    . GLN   A 1 62  ? -34.097 -11.981 -9.483  1.00 41.47 ? 79  GLN   A HG3    1 
ATOM   724  H HE21   . GLN   A 1 62  ? -37.133 -11.641 -8.296  1.00 41.82 ? 79  GLN   A HE21   1 
ATOM   725  H HE22   . GLN   A 1 62  ? -36.885 -11.814 -6.837  1.00 41.82 ? 79  GLN   A HE22   1 
ATOM   726  N N      . ASP   A 1 63  ? -33.357 -12.186 -12.279 1.00 15.86 ? 80  ASP   A N      1 
ATOM   727  C CA     . ASP   A 1 63  ? -32.102 -11.679 -12.799 1.00 15.41 ? 80  ASP   A CA     1 
ATOM   728  C C      . ASP   A 1 63  ? -32.168 -11.500 -14.305 1.00 15.63 ? 80  ASP   A C      1 
ATOM   729  O O      . ASP   A 1 63  ? -31.661 -10.501 -14.836 1.00 16.31 ? 80  ASP   A O      1 
ATOM   730  C CB     . ASP   A 1 63  ? -30.963 -12.626 -12.459 1.00 14.47 ? 80  ASP   A CB     1 
ATOM   731  C CG     . ASP   A 1 63  ? -30.534 -12.563 -11.024 1.00 15.08 ? 80  ASP   A CG     1 
ATOM   732  O OD1    . ASP   A 1 63  ? -31.029 -11.773 -10.228 1.00 17.82 ? 80  ASP   A OD1    1 
ATOM   733  O OD2    . ASP   A 1 63  ? -29.624 -13.392 -10.698 1.00 16.22 ? 80  ASP   A OD2    1 
ATOM   734  H H      . ASP   A 1 63  ? -33.315 -12.963 -11.915 1.00 19.03 ? 80  ASP   A H      1 
ATOM   735  H HA     . ASP   A 1 63  ? -31.927 -10.822 -12.381 1.00 18.49 ? 80  ASP   A HA     1 
ATOM   736  H HB2    . ASP   A 1 63  ? -31.247 -13.535 -12.643 1.00 17.36 ? 80  ASP   A HB2    1 
ATOM   737  H HB3    . ASP   A 1 63  ? -30.195 -12.401 -13.008 1.00 17.36 ? 80  ASP   A HB3    1 
ATOM   738  N N      . LEU   A 1 64  ? -32.808 -12.421 -15.021 1.00 16.09 ? 81  LEU   A N      1 
ATOM   739  C CA     . LEU   A 1 64  ? -32.883 -12.261 -16.470 1.00 15.40 ? 81  LEU   A CA     1 
ATOM   740  C C      . LEU   A 1 64  ? -33.708 -11.042 -16.872 1.00 18.10 ? 81  LEU   A C      1 
ATOM   741  O O      . LEU   A 1 64  ? -33.413 -10.406 -17.892 1.00 18.06 ? 81  LEU   A O      1 
ATOM   742  C CB     . LEU   A 1 64  ? -33.417 -13.529 -17.114 1.00 18.20 ? 81  LEU   A CB     1 
ATOM   743  C CG     . LEU   A 1 64  ? -32.326 -14.487 -17.592 1.00 22.03 ? 81  LEU   A CG     1 
ATOM   744  C CD1    . LEU   A 1 64  ? -31.688 -13.942 -18.881 1.00 23.89 ? 81  LEU   A CD1    1 
ATOM   745  C CD2    . LEU   A 1 64  ? -31.242 -14.772 -16.554 1.00 22.00 ? 81  LEU   A CD2    1 
ATOM   746  H H      . LEU   A 1 64  ? -33.194 -13.121 -14.704 1.00 19.31 ? 81  LEU   A H      1 
ATOM   747  H HA     . LEU   A 1 64  ? -31.986 -12.121 -16.812 1.00 18.48 ? 81  LEU   A HA     1 
ATOM   748  H HB2    . LEU   A 1 64  ? -33.963 -14.001 -16.466 1.00 21.84 ? 81  LEU   A HB2    1 
ATOM   749  H HB3    . LEU   A 1 64  ? -33.954 -13.284 -17.884 1.00 21.84 ? 81  LEU   A HB3    1 
ATOM   750  H HG     . LEU   A 1 64  ? -32.756 -15.340 -17.760 1.00 26.44 ? 81  LEU   A HG     1 
ATOM   751  H HD11   . LEU   A 1 64  ? -31.028 -14.577 -19.200 1.00 28.67 ? 81  LEU   A HD11   1 
ATOM   752  H HD12   . LEU   A 1 64  ? -32.380 -13.820 -19.550 1.00 28.67 ? 81  LEU   A HD12   1 
ATOM   753  H HD13   . LEU   A 1 64  ? -31.262 -13.092 -18.688 1.00 28.67 ? 81  LEU   A HD13   1 
ATOM   754  H HD21   . LEU   A 1 64  ? -30.628 -15.432 -16.912 1.00 26.40 ? 81  LEU   A HD21   1 
ATOM   755  H HD22   . LEU   A 1 64  ? -30.766 -13.949 -16.360 1.00 26.40 ? 81  LEU   A HD22   1 
ATOM   756  H HD23   . LEU   A 1 64  ? -31.659 -15.111 -15.747 1.00 26.40 ? 81  LEU   A HD23   1 
ATOM   757  N N      . GLU   A 1 65  ? -34.742 -10.713 -16.109 1.00 17.19 ? 82  GLU   A N      1 
ATOM   758  C CA     . GLU   A 1 65  ? -35.483 -9.486  -16.376 1.00 18.54 ? 82  GLU   A CA     1 
ATOM   759  C C      . GLU   A 1 65  ? -34.589 -8.260  -16.220 1.00 18.60 ? 82  GLU   A C      1 
ATOM   760  O O      . GLU   A 1 65  ? -34.565 -7.370  -17.077 1.00 18.51 ? 82  GLU   A O      1 
ATOM   761  C CB     . GLU   A 1 65  ? -36.693 -9.403  -15.450 1.00 20.97 ? 82  GLU   A CB     1 
ATOM   762  C CG     . GLU   A 1 65  ? -37.836 -10.360 -15.846 1.00 24.03 ? 82  GLU   A CG     1 
ATOM   763  C CD     . GLU   A 1 65  ? -38.730 -10.786 -14.689 1.00 33.28 ? 82  GLU   A CD     1 
ATOM   764  O OE1    . GLU   A 1 65  ? -38.561 -10.281 -13.563 1.00 28.01 ? 82  GLU   A OE1    1 
ATOM   765  O OE2    . GLU   A 1 65  ? -39.639 -11.618 -14.917 1.00 42.18 ? 82  GLU   A OE2    1 
ATOM   766  H H      . GLU   A 1 65  ? -35.032 -11.173 -15.443 1.00 20.63 ? 82  GLU   A H      1 
ATOM   767  H HA     . GLU   A 1 65  ? -35.805 -9.502  -17.291 1.00 22.25 ? 82  GLU   A HA     1 
ATOM   768  H HB2    . GLU   A 1 65  ? -36.414 -9.630  -14.549 1.00 25.16 ? 82  GLU   A HB2    1 
ATOM   769  H HB3    . GLU   A 1 65  ? -37.042 -8.499  -15.472 1.00 25.16 ? 82  GLU   A HB3    1 
ATOM   770  H HG2    . GLU   A 1 65  ? -38.397 -9.918  -16.502 1.00 28.83 ? 82  GLU   A HG2    1 
ATOM   771  H HG3    . GLU   A 1 65  ? -37.448 -11.164 -16.227 1.00 28.83 ? 82  GLU   A HG3    1 
ATOM   772  N N      . TRP   A 1 66  ? -33.833 -8.197  -15.130 1.00 15.75 ? 83  TRP   A N      1 
ATOM   773  C CA     . TRP   A 1 66  ? -32.951 -7.061  -14.895 1.00 16.19 ? 83  TRP   A CA     1 
ATOM   774  C C      . TRP   A 1 66  ? -31.845 -6.985  -15.927 1.00 15.25 ? 83  TRP   A C      1 
ATOM   775  O O      . TRP   A 1 66  ? -31.452 -5.883  -16.337 1.00 15.43 ? 83  TRP   A O      1 
ATOM   776  C CB     . TRP   A 1 66  ? -32.363 -7.164  -13.496 1.00 16.13 ? 83  TRP   A CB     1 
ATOM   777  C CG     . TRP   A 1 66  ? -33.340 -6.908  -12.414 1.00 18.47 ? 83  TRP   A CG     1 
ATOM   778  C CD1    . TRP   A 1 66  ? -34.425 -6.085  -12.447 1.00 20.79 ? 83  TRP   A CD1    1 
ATOM   779  C CD2    . TRP   A 1 66  ? -33.315 -7.490  -11.107 1.00 20.08 ? 83  TRP   A CD2    1 
ATOM   780  N NE1    . TRP   A 1 66  ? -35.069 -6.107  -11.239 1.00 21.74 ? 83  TRP   A NE1    1 
ATOM   781  C CE2    . TRP   A 1 66  ? -34.410 -6.969  -10.399 1.00 25.23 ? 83  TRP   A CE2    1 
ATOM   782  C CE3    . TRP   A 1 66  ? -32.466 -8.399  -10.467 1.00 21.33 ? 83  TRP   A CE3    1 
ATOM   783  C CZ2    . TRP   A 1 66  ? -34.688 -7.337  -9.081  1.00 26.25 ? 83  TRP   A CZ2    1 
ATOM   784  C CZ3    . TRP   A 1 66  ? -32.742 -8.759  -9.167  1.00 25.24 ? 83  TRP   A CZ3    1 
ATOM   785  C CH2    . TRP   A 1 66  ? -33.843 -8.233  -8.487  1.00 29.93 ? 83  TRP   A CH2    1 
ATOM   786  H H      . TRP   A 1 66  ? -33.812 -8.795  -14.512 1.00 18.90 ? 83  TRP   A H      1 
ATOM   787  H HA     . TRP   A 1 66  ? -33.469 -6.243  -14.960 1.00 19.43 ? 83  TRP   A HA     1 
ATOM   788  H HB2    . TRP   A 1 66  ? -32.011 -8.059  -13.371 1.00 19.36 ? 83  TRP   A HB2    1 
ATOM   789  H HB3    . TRP   A 1 66  ? -31.650 -6.512  -13.409 1.00 19.36 ? 83  TRP   A HB3    1 
ATOM   790  H HD1    . TRP   A 1 66  ? -34.689 -5.581  -13.182 1.00 24.95 ? 83  TRP   A HD1    1 
ATOM   791  H HE1    . TRP   A 1 66  ? -35.773 -5.654  -11.039 1.00 26.09 ? 83  TRP   A HE1    1 
ATOM   792  H HE3    . TRP   A 1 66  ? -31.729 -8.752  -10.911 1.00 25.59 ? 83  TRP   A HE3    1 
ATOM   793  H HZ2    . TRP   A 1 66  ? -35.419 -6.986  -8.625  1.00 31.50 ? 83  TRP   A HZ2    1 
ATOM   794  H HZ3    . TRP   A 1 66  ? -32.184 -9.364  -8.733  1.00 30.29 ? 83  TRP   A HZ3    1 
ATOM   795  H HH2    . TRP   A 1 66  ? -34.005 -8.499  -7.610  1.00 35.91 ? 83  TRP   A HH2    1 
ATOM   796  N N      . LEU   A 1 67  ? -31.315 -8.140  -16.334 1.00 15.18 ? 84  LEU   A N      1 
ATOM   797  C CA     A LEU   A 1 67  ? -30.258 -8.140  -17.327 0.71 15.20 ? 84  LEU   A CA     1 
ATOM   798  C CA     B LEU   A 1 67  ? -30.257 -8.152  -17.338 0.29 15.17 ? 84  LEU   A CA     1 
ATOM   799  C C      . LEU   A 1 67  ? -30.722 -7.486  -18.619 1.00 16.33 ? 84  LEU   A C      1 
ATOM   800  O O      . LEU   A 1 67  ? -29.971 -6.729  -19.239 1.00 19.26 ? 84  LEU   A O      1 
ATOM   801  C CB     A LEU   A 1 67  ? -29.832 -9.579  -17.542 0.71 16.60 ? 84  LEU   A CB     1 
ATOM   802  C CB     B LEU   A 1 67  ? -29.820 -9.591  -17.635 0.29 16.53 ? 84  LEU   A CB     1 
ATOM   803  C CG     A LEU   A 1 67  ? -28.480 -9.816  -18.158 0.71 16.41 ? 84  LEU   A CG     1 
ATOM   804  C CG     B LEU   A 1 67  ? -29.083 -10.363 -16.549 0.29 16.35 ? 84  LEU   A CG     1 
ATOM   805  C CD1    A LEU   A 1 67  ? -27.357 -9.295  -17.305 0.71 16.42 ? 84  LEU   A CD1    1 
ATOM   806  C CD1    B LEU   A 1 67  ? -28.914 -11.823 -16.848 0.29 18.92 ? 84  LEU   A CD1    1 
ATOM   807  C CD2    A LEU   A 1 67  ? -28.321 -11.298 -18.372 0.71 16.67 ? 84  LEU   A CD2    1 
ATOM   808  C CD2    B LEU   A 1 67  ? -27.712 -9.752  -16.442 0.29 20.76 ? 84  LEU   A CD2    1 
ATOM   809  H H      . LEU   A 1 67  ? -31.546 -8.920  -16.055 1.00 18.21 ? 84  LEU   A H      1 
ATOM   810  H HA     . LEU   A 1 67  ? -29.492 -7.630  -17.021 1.00 18.21 ? 84  LEU   A HA     1 
ATOM   811  H HB2    A LEU   A 1 67  ? -29.828 -10.020 -16.678 0.71 19.92 ? 84  LEU   A HB2    1 
ATOM   812  H HB2    B LEU   A 1 67  ? -30.618 -10.101 -17.844 0.29 19.84 ? 84  LEU   A HB2    1 
ATOM   813  H HB3    A LEU   A 1 67  ? -30.484 -9.998  -18.125 0.71 19.92 ? 84  LEU   A HB3    1 
ATOM   814  H HB3    B LEU   A 1 67  ? -29.231 -9.565  -18.405 0.29 19.84 ? 84  LEU   A HB3    1 
ATOM   815  H HG     A LEU   A 1 67  ? -28.426 -9.336  -19.000 0.71 19.69 ? 84  LEU   A HG     1 
ATOM   816  H HG     B LEU   A 1 67  ? -29.600 -10.310 -15.730 0.29 19.62 ? 84  LEU   A HG     1 
ATOM   817  H HD11   A LEU   A 1 67  ? -26.515 -9.621  -17.659 0.71 19.70 ? 84  LEU   A HD11   1 
ATOM   818  H HD11   B LEU   A 1 67  ? -28.738 -12.297 -16.020 0.29 22.70 ? 84  LEU   A HD11   1 
ATOM   819  H HD12   A LEU   A 1 67  ? -27.371 -8.326  -17.323 0.71 19.70 ? 84  LEU   A HD12   1 
ATOM   820  H HD12   B LEU   A 1 67  ? -29.729 -12.159 -17.254 0.29 22.70 ? 84  LEU   A HD12   1 
ATOM   821  H HD13   A LEU   A 1 67  ? -27.479 -9.611  -16.396 0.71 19.70 ? 84  LEU   A HD13   1 
ATOM   822  H HD13   B LEU   A 1 67  ? -28.169 -11.936 -17.459 0.29 22.70 ? 84  LEU   A HD13   1 
ATOM   823  H HD21   A LEU   A 1 67  ? -27.446 -11.470 -18.752 0.71 20.00 ? 84  LEU   A HD21   1 
ATOM   824  H HD21   B LEU   A 1 67  ? -27.172 -10.290 -15.841 0.29 24.91 ? 84  LEU   A HD21   1 
ATOM   825  H HD22   A LEU   A 1 67  ? -28.407 -11.752 -17.519 0.71 20.00 ? 84  LEU   A HD22   1 
ATOM   826  H HD22   B LEU   A 1 67  ? -27.305 -9.732  -17.322 0.29 24.91 ? 84  LEU   A HD22   1 
ATOM   827  H HD23   A LEU   A 1 67  ? -29.012 -11.606 -18.980 0.71 20.00 ? 84  LEU   A HD23   1 
ATOM   828  H HD23   B LEU   A 1 67  ? -27.794 -8.850  -16.095 0.29 24.91 ? 84  LEU   A HD23   1 
ATOM   829  N N      . GLN   A 1 68  ? -31.963 -7.756  -19.037 1.00 18.37 ? 85  GLN   A N      1 
ATOM   830  C CA     . GLN   A 1 68  ? -32.483 -7.144  -20.259 1.00 19.24 ? 85  GLN   A CA     1 
ATOM   831  C C      . GLN   A 1 68  ? -32.742 -5.656  -20.076 1.00 19.24 ? 85  GLN   A C      1 
ATOM   832  O O      . GLN   A 1 68  ? -32.710 -4.896  -21.053 1.00 21.69 ? 85  GLN   A O      1 
ATOM   833  C CB     . GLN   A 1 68  ? -33.749 -7.868  -20.705 1.00 23.81 ? 85  GLN   A CB     1 
ATOM   834  C CG     . GLN   A 1 68  ? -33.471 -9.294  -21.119 1.00 23.88 ? 85  GLN   A CG     1 
ATOM   835  C CD     . GLN   A 1 68  ? -34.728 -10.123 -21.246 1.00 28.16 ? 85  GLN   A CD     1 
ATOM   836  O OE1    . GLN   A 1 68  ? -35.458 -10.001 -22.225 1.00 32.22 ? 85  GLN   A OE1    1 
ATOM   837  N NE2    . GLN   A 1 68  ? -34.994 -10.965 -20.249 1.00 29.87 ? 85  GLN   A NE2    1 
ATOM   838  H H      . GLN   A 1 68  ? -32.514 -8.282  -18.638 1.00 22.05 ? 85  GLN   A H      1 
ATOM   839  H HA     . GLN   A 1 68  ? -31.825 -7.239  -20.965 1.00 23.09 ? 85  GLN   A HA     1 
ATOM   840  H HB2    . GLN   A 1 68  ? -34.383 -7.884  -19.971 1.00 28.57 ? 85  GLN   A HB2    1 
ATOM   841  H HB3    . GLN   A 1 68  ? -34.133 -7.401  -21.464 1.00 28.57 ? 85  GLN   A HB3    1 
ATOM   842  H HG2    . GLN   A 1 68  ? -33.025 -9.292  -21.981 1.00 28.66 ? 85  GLN   A HG2    1 
ATOM   843  H HG3    . GLN   A 1 68  ? -32.903 -9.712  -20.453 1.00 28.66 ? 85  GLN   A HG3    1 
ATOM   844  H HE21   . GLN   A 1 68  ? -34.460 -11.017 -19.576 1.00 35.85 ? 85  GLN   A HE21   1 
ATOM   845  H HE22   . GLN   A 1 68  ? -35.699 -11.457 -20.278 1.00 35.85 ? 85  GLN   A HE22   1 
ATOM   846  N N      . GLN   A 1 69  ? -33.018 -5.215  -18.851 1.00 18.56 ? 86  GLN   A N      1 
ATOM   847  C CA     . GLN   A 1 69  ? -33.232 -3.795  -18.588 1.00 17.92 ? 86  GLN   A CA     1 
ATOM   848  C C      . GLN   A 1 69  ? -31.949 -2.992  -18.472 1.00 18.24 ? 86  GLN   A C      1 
ATOM   849  O O      . GLN   A 1 69  ? -31.975 -1.764  -18.594 1.00 19.55 ? 86  GLN   A O      1 
ATOM   850  C CB     . GLN   A 1 69  ? -34.002 -3.640  -17.274 1.00 18.90 ? 86  GLN   A CB     1 
ATOM   851  C CG     . GLN   A 1 69  ? -35.392 -4.186  -17.334 1.00 19.78 ? 86  GLN   A CG     1 
ATOM   852  C CD     . GLN   A 1 69  ? -36.014 -4.320  -15.968 1.00 22.20 ? 86  GLN   A CD     1 
ATOM   853  O OE1    . GLN   A 1 69  ? -35.505 -3.779  -14.988 1.00 23.78 ? 86  GLN   A OE1    1 
ATOM   854  N NE2    . GLN   A 1 69  ? -37.140 -5.028  -15.897 1.00 22.68 ? 86  GLN   A NE2    1 
ATOM   855  H H      . GLN   A 1 69  ? -33.087 -5.717  -18.156 1.00 22.27 ? 86  GLN   A H      1 
ATOM   856  H HA     . GLN   A 1 69  ? -33.745 -3.429  -19.325 1.00 21.50 ? 86  GLN   A HA     1 
ATOM   857  H HB2    . GLN   A 1 69  ? -33.526 -4.114  -16.574 1.00 22.68 ? 86  GLN   A HB2    1 
ATOM   858  H HB3    . GLN   A 1 69  ? -34.061 -2.697  -17.055 1.00 22.68 ? 86  GLN   A HB3    1 
ATOM   859  H HG2    . GLN   A 1 69  ? -35.946 -3.588  -17.860 1.00 23.74 ? 86  GLN   A HG2    1 
ATOM   860  H HG3    . GLN   A 1 69  ? -35.371 -5.065  -17.744 1.00 23.74 ? 86  GLN   A HG3    1 
ATOM   861  H HE21   . GLN   A 1 69  ? -37.472 -5.378  -16.609 1.00 27.21 ? 86  GLN   A HE21   1 
ATOM   862  H HE22   . GLN   A 1 69  ? -37.534 -5.134  -15.141 1.00 27.21 ? 86  GLN   A HE22   1 
ATOM   863  N N      . ALA   A 1 70  ? -30.835 -3.641  -18.207 1.00 15.84 ? 87  ALA   A N      1 
ATOM   864  C CA     . ALA   A 1 70  ? -29.620 -2.920  -17.882 1.00 16.04 ? 87  ALA   A CA     1 
ATOM   865  C C      . ALA   A 1 70  ? -29.064 -2.175  -19.085 1.00 15.72 ? 87  ALA   A C      1 
ATOM   866  O O      . ALA   A 1 70  ? -29.104 -2.657  -20.220 1.00 18.48 ? 87  ALA   A O      1 
ATOM   867  C CB     . ALA   A 1 70  ? -28.562 -3.895  -17.357 1.00 18.28 ? 87  ALA   A CB     1 
ATOM   868  H H      . ALA   A 1 70  ? -30.753 -4.497  -18.208 1.00 19.01 ? 87  ALA   A H      1 
ATOM   869  H HA     . ALA   A 1 70  ? -29.824 -2.264  -17.197 1.00 19.25 ? 87  ALA   A HA     1 
ATOM   870  H HB1    . ALA   A 1 70  ? -27.764 -3.398  -17.119 1.00 21.94 ? 87  ALA   A HB1    1 
ATOM   871  H HB2    . ALA   A 1 70  ? -28.912 -4.352  -16.577 1.00 21.94 ? 87  ALA   A HB2    1 
ATOM   872  H HB3    . ALA   A 1 70  ? -28.354 -4.540  -18.052 1.00 21.94 ? 87  ALA   A HB3    1 
ATOM   873  N N      . ASP   A 1 71  ? -28.540 -0.978  -18.821 1.00 16.23 ? 88  ASP   A N      1 
ATOM   874  C CA     . ASP   A 1 71  ? -27.761 -0.265  -19.823 1.00 16.33 ? 88  ASP   A CA     1 
ATOM   875  C C      . ASP   A 1 71  ? -26.319 -0.742  -19.864 1.00 16.61 ? 88  ASP   A C      1 
ATOM   876  O O      . ASP   A 1 71  ? -25.709 -0.747  -20.946 1.00 18.23 ? 88  ASP   A O      1 
ATOM   877  C CB     . ASP   A 1 71  ? -27.852 1.233   -19.573 1.00 18.54 ? 88  ASP   A CB     1 
ATOM   878  C CG     . ASP   A 1 71  ? -29.263 1.728   -19.709 1.00 20.33 ? 88  ASP   A CG     1 
ATOM   879  O OD1    . ASP   A 1 71  ? -29.815 1.580   -20.820 1.00 22.95 ? 88  ASP   A OD1    1 
ATOM   880  O OD2    . ASP   A 1 71  ? -29.832 2.236   -18.722 1.00 22.43 ? 88  ASP   A OD2    1 
ATOM   881  H H      . ASP   A 1 71  ? -28.622 -0.562  -18.073 1.00 19.47 ? 88  ASP   A H      1 
ATOM   882  H HA     . ASP   A 1 71  ? -28.134 -0.428  -20.704 1.00 19.59 ? 88  ASP   A HA     1 
ATOM   883  H HB2    . ASP   A 1 71  ? -27.546 1.428   -18.674 1.00 22.24 ? 88  ASP   A HB2    1 
ATOM   884  H HB3    . ASP   A 1 71  ? -27.301 1.701   -20.220 1.00 22.24 ? 88  ASP   A HB3    1 
ATOM   885  N N      . VAL   A 1 72  ? -25.754 -1.097  -18.716 1.00 14.64 ? 89  VAL   A N      1 
ATOM   886  C CA     . VAL   A 1 72  ? -24.397 -1.620  -18.622 1.00 13.67 ? 89  VAL   A CA     1 
ATOM   887  C C      . VAL   A 1 72  ? -24.418 -2.760  -17.624 1.00 13.23 ? 89  VAL   A C      1 
ATOM   888  O O      . VAL   A 1 72  ? -25.026 -2.658  -16.553 1.00 13.60 ? 89  VAL   A O      1 
ATOM   889  C CB     . VAL   A 1 72  ? -23.373 -0.556  -18.197 1.00 14.84 ? 89  VAL   A CB     1 
ATOM   890  C CG1    . VAL   A 1 72  ? -21.955 -1.113  -18.237 1.00 16.31 ? 89  VAL   A CG1    1 
ATOM   891  C CG2    . VAL   A 1 72  ? -23.487 0.667   -19.108 1.00 16.96 ? 89  VAL   A CG2    1 
ATOM   892  H H      . VAL   A 1 72  ? -26.149 -1.041  -17.954 1.00 17.57 ? 89  VAL   A H      1 
ATOM   893  H HA     . VAL   A 1 72  ? -24.127 -1.950  -19.494 1.00 16.40 ? 89  VAL   A HA     1 
ATOM   894  H HB     . VAL   A 1 72  ? -23.561 -0.290  -17.284 1.00 17.81 ? 89  VAL   A HB     1 
ATOM   895  H HG11   . VAL   A 1 72  ? -21.329 -0.393  -18.060 1.00 19.57 ? 89  VAL   A HG11   1 
ATOM   896  H HG12   . VAL   A 1 72  ? -21.868 -1.802  -17.560 1.00 19.57 ? 89  VAL   A HG12   1 
ATOM   897  H HG13   . VAL   A 1 72  ? -21.788 -1.489  -19.115 1.00 19.57 ? 89  VAL   A HG13   1 
ATOM   898  H HG21   . VAL   A 1 72  ? -22.781 1.294   -18.885 1.00 20.35 ? 89  VAL   A HG21   1 
ATOM   899  H HG22   . VAL   A 1 72  ? -23.399 0.383   -20.031 1.00 20.35 ? 89  VAL   A HG22   1 
ATOM   900  H HG23   . VAL   A 1 72  ? -24.353 1.083   -18.971 1.00 20.35 ? 89  VAL   A HG23   1 
ATOM   901  N N      . VAL   A 1 73  ? -23.764 -3.851  -17.988 1.00 12.72 ? 90  VAL   A N      1 
ATOM   902  C CA     . VAL   A 1 73  ? -23.533 -5.006  -17.126 1.00 12.40 ? 90  VAL   A CA     1 
ATOM   903  C C      . VAL   A 1 73  ? -22.075 -4.946  -16.688 1.00 12.49 ? 90  VAL   A C      1 
ATOM   904  O O      . VAL   A 1 73  ? -21.176 -4.920  -17.538 1.00 15.08 ? 90  VAL   A O      1 
ATOM   905  C CB     . VAL   A 1 73  ? -23.817 -6.319  -17.875 1.00 13.17 ? 90  VAL   A CB     1 
ATOM   906  C CG1    . VAL   A 1 73  ? -23.488 -7.532  -17.013 1.00 14.08 ? 90  VAL   A CG1    1 
ATOM   907  C CG2    . VAL   A 1 73  ? -25.266 -6.356  -18.339 1.00 14.00 ? 90  VAL   A CG2    1 
ATOM   908  H H      . VAL   A 1 73  ? -23.425 -3.954  -18.771 1.00 15.26 ? 90  VAL   A H      1 
ATOM   909  H HA     . VAL   A 1 73  ? -24.109 -4.964  -16.346 1.00 14.88 ? 90  VAL   A HA     1 
ATOM   910  H HB     . VAL   A 1 73  ? -23.245 -6.360  -18.657 1.00 15.81 ? 90  VAL   A HB     1 
ATOM   911  H HG11   . VAL   A 1 73  ? -23.834 -8.329  -17.443 1.00 16.90 ? 90  VAL   A HG11   1 
ATOM   912  H HG12   . VAL   A 1 73  ? -22.525 -7.599  -16.918 1.00 16.90 ? 90  VAL   A HG12   1 
ATOM   913  H HG13   . VAL   A 1 73  ? -23.899 -7.421  -16.141 1.00 16.90 ? 90  VAL   A HG13   1 
ATOM   914  H HG21   . VAL   A 1 73  ? -25.438 -7.209  -18.769 1.00 16.79 ? 90  VAL   A HG21   1 
ATOM   915  H HG22   . VAL   A 1 73  ? -25.847 -6.250  -17.569 1.00 16.79 ? 90  VAL   A HG22   1 
ATOM   916  H HG23   . VAL   A 1 73  ? -25.415 -5.633  -18.968 1.00 16.79 ? 90  VAL   A HG23   1 
ATOM   917  N N      . VAL   A 1 74  ? -21.832 -4.895  -15.383 1.00 12.47 ? 91  VAL   A N      1 
ATOM   918  C CA     . VAL   A 1 74  ? -20.491 -4.831  -14.805 1.00 12.47 ? 91  VAL   A CA     1 
ATOM   919  C C      . VAL   A 1 74  ? -20.257 -6.130  -14.040 1.00 11.79 ? 91  VAL   A C      1 
ATOM   920  O O      . VAL   A 1 74  ? -21.063 -6.485  -13.179 1.00 13.31 ? 91  VAL   A O      1 
ATOM   921  C CB     . VAL   A 1 74  ? -20.360 -3.618  -13.867 1.00 12.56 ? 91  VAL   A CB     1 
ATOM   922  C CG1    . VAL   A 1 74  ? -18.982 -3.578  -13.223 1.00 13.83 ? 91  VAL   A CG1    1 
ATOM   923  C CG2    . VAL   A 1 74  ? -20.640 -2.320  -14.629 1.00 14.61 ? 91  VAL   A CG2    1 
ATOM   924  H H      . VAL   A 1 74  ? -22.452 -4.896  -14.788 1.00 14.96 ? 91  VAL   A H      1 
ATOM   925  H HA     . VAL   A 1 74  ? -19.827 -4.757  -15.508 1.00 14.96 ? 91  VAL   A HA     1 
ATOM   926  H HB     . VAL   A 1 74  ? -21.017 -3.702  -13.158 1.00 15.08 ? 91  VAL   A HB     1 
ATOM   927  H HG11   . VAL   A 1 74  ? -18.862 -2.720  -12.787 1.00 16.59 ? 91  VAL   A HG11   1 
ATOM   928  H HG12   . VAL   A 1 74  ? -18.918 -4.292  -12.570 1.00 16.59 ? 91  VAL   A HG12   1 
ATOM   929  H HG13   . VAL   A 1 74  ? -18.308 -3.697  -13.910 1.00 16.59 ? 91  VAL   A HG13   1 
ATOM   930  H HG21   . VAL   A 1 74  ? -20.479 -1.567  -14.039 1.00 17.53 ? 91  VAL   A HG21   1 
ATOM   931  H HG22   . VAL   A 1 74  ? -20.049 -2.271  -15.397 1.00 17.53 ? 91  VAL   A HG22   1 
ATOM   932  H HG23   . VAL   A 1 74  ? -21.565 -2.319  -14.922 1.00 17.53 ? 91  VAL   A HG23   1 
ATOM   933  N N      . ALA   A 1 75  ? -19.162 -6.808  -14.312 1.00 11.11 ? 92  ALA   A N      1 
ATOM   934  C CA     . ALA   A 1 75  ? -18.854 -8.079  -13.668 1.00 10.94 ? 92  ALA   A CA     1 
ATOM   935  C C      . ALA   A 1 75  ? -17.437 -8.032  -13.131 1.00 11.15 ? 92  ALA   A C      1 
ATOM   936  O O      . ALA   A 1 75  ? -16.510 -7.667  -13.872 1.00 12.20 ? 92  ALA   A O      1 
ATOM   937  C CB     . ALA   A 1 75  ? -19.004 -9.239  -14.643 1.00 11.81 ? 92  ALA   A CB     1 
ATOM   938  H H      . ALA   A 1 75  ? -18.566 -6.553  -14.878 1.00 13.33 ? 92  ALA   A H      1 
ATOM   939  H HA     . ALA   A 1 75  ? -19.460 -8.220  -12.924 1.00 13.13 ? 92  ALA   A HA     1 
ATOM   940  H HB1    . ALA   A 1 75  ? -18.810 -10.068 -14.179 1.00 14.17 ? 92  ALA   A HB1    1 
ATOM   941  H HB2    . ALA   A 1 75  ? -19.914 -9.253  -14.978 1.00 14.17 ? 92  ALA   A HB2    1 
ATOM   942  H HB3    . ALA   A 1 75  ? -18.383 -9.116  -15.378 1.00 14.17 ? 92  ALA   A HB3    1 
ATOM   943  N N      . GLU   A 1 76  ? -17.258 -8.449  -11.893 1.00 10.74 ? 93  GLU   A N      1 
ATOM   944  C CA     . GLU   A 1 76  ? -15.928 -8.672  -11.326 1.00 11.20 ? 93  GLU   A CA     1 
ATOM   945  C C      . GLU   A 1 76  ? -15.671 -10.161 -11.490 1.00 11.37 ? 93  GLU   A C      1 
ATOM   946  O O      . GLU   A 1 76  ? -16.351 -11.002 -10.864 1.00 11.65 ? 93  GLU   A O      1 
ATOM   947  C CB     . GLU   A 1 76  ? -15.844 -8.209  -9.876  1.00 11.88 ? 93  GLU   A CB     1 
ATOM   948  C CG     . GLU   A 1 76  ? -14.486 -7.626  -9.472  1.00 12.29 ? 93  GLU   A CG     1 
ATOM   949  C CD     . GLU   A 1 76  ? -13.356 -8.622  -9.542  1.00 12.56 ? 93  GLU   A CD     1 
ATOM   950  O OE1    . GLU   A 1 76  ? -13.613 -9.825  -9.616  1.00 12.12 ? 93  GLU   A OE1    1 
ATOM   951  O OE2    . GLU   A 1 76  ? -12.161 -8.183  -9.501  1.00 13.71 ? 93  GLU   A OE2    1 
ATOM   952  H H      . GLU   A 1 76  ? -17.899 -8.615  -11.345 1.00 12.88 ? 93  GLU   A H      1 
ATOM   953  H HA     . GLU   A 1 76  ? -15.247 -8.166  -11.796 1.00 13.44 ? 93  GLU   A HA     1 
ATOM   954  H HB2    . GLU   A 1 76  ? -16.512 -7.520  -9.733  1.00 14.26 ? 93  GLU   A HB2    1 
ATOM   955  H HB3    . GLU   A 1 76  ? -16.020 -8.967  -9.299  1.00 14.26 ? 93  GLU   A HB3    1 
ATOM   956  H HG2    . GLU   A 1 76  ? -14.271 -6.892  -10.069 1.00 14.75 ? 93  GLU   A HG2    1 
ATOM   957  H HG3    . GLU   A 1 76  ? -14.543 -7.306  -8.559  1.00 14.75 ? 93  GLU   A HG3    1 
ATOM   958  N N      . VAL   A 1 77  ? -14.736 -10.491 -12.380 1.00 10.61 ? 94  VAL   A N      1 
ATOM   959  C CA     . VAL   A 1 77  ? -14.533 -11.837 -12.905 1.00 10.76 ? 94  VAL   A CA     1 
ATOM   960  C C      . VAL   A 1 77  ? -13.290 -12.520 -12.346 1.00 10.97 ? 94  VAL   A C      1 
ATOM   961  O O      . VAL   A 1 77  ? -12.813 -13.488 -12.942 1.00 12.38 ? 94  VAL   A O      1 
ATOM   962  C CB     . VAL   A 1 77  ? -14.526 -11.871 -14.446 1.00 10.91 ? 94  VAL   A CB     1 
ATOM   963  C CG1    . VAL   A 1 77  ? -15.871 -11.467 -14.968 1.00 11.95 ? 94  VAL   A CG1    1 
ATOM   964  C CG2    . VAL   A 1 77  ? -13.406 -10.988 -15.015 1.00 12.16 ? 94  VAL   A CG2    1 
ATOM   965  H H      . VAL   A 1 77  ? -14.181 -9.924  -12.711 1.00 12.73 ? 94  VAL   A H      1 
ATOM   966  H HA     . VAL   A 1 77  ? -15.296 -12.350 -12.595 1.00 12.91 ? 94  VAL   A HA     1 
ATOM   967  H HB     . VAL   A 1 77  ? -14.345 -12.776 -14.746 1.00 13.09 ? 94  VAL   A HB     1 
ATOM   968  H HG11   . VAL   A 1 77  ? -15.863 -11.519 -15.937 1.00 14.34 ? 94  VAL   A HG11   1 
ATOM   969  H HG12   . VAL   A 1 77  ? -16.543 -12.068 -14.611 1.00 14.34 ? 94  VAL   A HG12   1 
ATOM   970  H HG13   . VAL   A 1 77  ? -16.058 -10.557 -14.688 1.00 14.34 ? 94  VAL   A HG13   1 
ATOM   971  H HG21   . VAL   A 1 77  ? -13.424 -11.040 -15.983 1.00 14.59 ? 94  VAL   A HG21   1 
ATOM   972  H HG22   . VAL   A 1 77  ? -13.551 -10.073 -14.730 1.00 14.59 ? 94  VAL   A HG22   1 
ATOM   973  H HG23   . VAL   A 1 77  ? -12.553 -11.308 -14.682 1.00 14.59 ? 94  VAL   A HG23   1 
ATOM   974  N N      . THR   A 1 78  ? -12.758 -12.065 -11.217 1.00 11.03 ? 95  THR   A N      1 
ATOM   975  C CA     . THR   A 1 78  ? -11.559 -12.670 -10.645 1.00 11.18 ? 95  THR   A CA     1 
ATOM   976  C C      . THR   A 1 78  ? -11.851 -14.031 -10.020 1.00 11.36 ? 95  THR   A C      1 
ATOM   977  O O      . THR   A 1 78  ? -11.107 -14.989 -10.245 1.00 12.65 ? 95  THR   A O      1 
ATOM   978  C CB     . THR   A 1 78  ? -10.909 -11.708 -9.648  1.00 11.78 ? 95  THR   A CB     1 
ATOM   979  O OG1    . THR   A 1 78  ? -10.614 -10.472 -10.313 1.00 12.61 ? 95  THR   A OG1    1 
ATOM   980  C CG2    . THR   A 1 78  ? -9.629  -12.311 -9.124  1.00 14.21 ? 95  THR   A CG2    1 
ATOM   981  H H      . THR   A 1 78  ? -13.070 -11.406 -10.761 1.00 13.23 ? 95  THR   A H      1 
ATOM   982  H HA     . THR   A 1 78  ? -10.918 -12.824 -11.356 1.00 13.41 ? 95  THR   A HA     1 
ATOM   983  H HB     . THR   A 1 78  ? -11.506 -11.541 -8.903  1.00 14.13 ? 95  THR   A HB     1 
ATOM   984  H HG1    . THR   A 1 78  ? -10.267 -9.931  -9.772  1.00 15.14 ? 95  THR   A HG1    1 
ATOM   985  H HG21   . THR   A 1 78  ? -9.123  -11.642 -8.636  1.00 17.05 ? 95  THR   A HG21   1 
ATOM   986  H HG22   . THR   A 1 78  ? -9.830  -13.050 -8.529  1.00 17.05 ? 95  THR   A HG22   1 
ATOM   987  H HG23   . THR   A 1 78  ? -9.090  -12.637 -9.861  1.00 17.05 ? 95  THR   A HG23   1 
ATOM   988  N N      . GLN   A 1 79  ? -12.924 -14.139 -9.230  1.00 10.68 ? 96  GLN   A N      1 
ATOM   989  C CA     . GLN   A 1 79  ? -13.277 -15.409 -8.601  1.00 10.91 ? 96  GLN   A CA     1 
ATOM   990  C C      . GLN   A 1 79  ? -14.092 -16.246 -9.583  1.00 9.92  ? 96  GLN   A C      1 
ATOM   991  O O      . GLN   A 1 79  ? -15.147 -15.802 -10.032 1.00 10.75 ? 96  GLN   A O      1 
ATOM   992  C CB     . GLN   A 1 79  ? -14.102 -15.156 -7.340  1.00 11.26 ? 96  GLN   A CB     1 
ATOM   993  C CG     . GLN   A 1 79  ? -14.353 -16.390 -6.501  1.00 12.05 ? 96  GLN   A CG     1 
ATOM   994  C CD     . GLN   A 1 79  ? -13.089 -16.932 -5.868  1.00 13.55 ? 96  GLN   A CD     1 
ATOM   995  O OE1    . GLN   A 1 79  ? -12.237 -16.197 -5.390  1.00 16.13 ? 96  GLN   A OE1    1 
ATOM   996  N NE2    . GLN   A 1 79  ? -12.960 -18.250 -5.853  1.00 16.14 ? 96  GLN   A NE2    1 
ATOM   997  H H      . GLN   A 1 79  ? -13.460 -13.492 -9.044  1.00 12.82 ? 96  GLN   A H      1 
ATOM   998  H HA     . GLN   A 1 79  ? -12.474 -15.895 -8.359  1.00 13.09 ? 96  GLN   A HA     1 
ATOM   999  H HB2    . GLN   A 1 79  ? -13.630 -14.516 -6.785  1.00 13.51 ? 96  GLN   A HB2    1 
ATOM   1000 H HB3    . GLN   A 1 79  ? -14.964 -14.798 -7.601  1.00 13.51 ? 96  GLN   A HB3    1 
ATOM   1001 H HG2    . GLN   A 1 79  ? -14.975 -16.168 -5.790  1.00 14.46 ? 96  GLN   A HG2    1 
ATOM   1002 H HG3    . GLN   A 1 79  ? -14.729 -17.085 -7.065  1.00 14.46 ? 96  GLN   A HG3    1 
ATOM   1003 H HE21   . GLN   A 1 79  ? -13.575 -18.746 -6.191  1.00 19.36 ? 96  GLN   A HE21   1 
ATOM   1004 H HE22   . GLN   A 1 79  ? -12.260 -18.610 -5.505  1.00 19.36 ? 96  GLN   A HE22   1 
ATOM   1005 N N      . PRO   A 1 80  ? -13.653 -17.445 -9.946  1.00 10.49 ? 97  PRO   A N      1 
ATOM   1006 C CA     . PRO   A 1 80  ? -14.437 -18.239 -10.903 1.00 10.72 ? 97  PRO   A CA     1 
ATOM   1007 C C      . PRO   A 1 80  ? -15.831 -18.539 -10.375 1.00 10.18 ? 97  PRO   A C      1 
ATOM   1008 O O      . PRO   A 1 80  ? -16.018 -18.894 -9.217  1.00 11.31 ? 97  PRO   A O      1 
ATOM   1009 C CB     . PRO   A 1 80  ? -13.602 -19.511 -11.101 1.00 12.25 ? 97  PRO   A CB     1 
ATOM   1010 C CG     . PRO   A 1 80  ? -12.189 -19.031 -10.815 1.00 12.21 ? 97  PRO   A CG     1 
ATOM   1011 C CD     . PRO   A 1 80  ? -12.356 -18.074 -9.669  1.00 11.63 ? 97  PRO   A CD     1 
ATOM   1012 H HA     . PRO   A 1 80  ? -14.510 -17.773 -11.751 1.00 12.86 ? 97  PRO   A HA     1 
ATOM   1013 H HB2    . PRO   A 1 80  ? -13.877 -20.199 -10.475 1.00 14.70 ? 97  PRO   A HB2    1 
ATOM   1014 H HB3    . PRO   A 1 80  ? -13.690 -19.836 -12.011 1.00 14.70 ? 97  PRO   A HB3    1 
ATOM   1015 H HG2    . PRO   A 1 80  ? -11.625 -19.780 -10.567 1.00 14.65 ? 97  PRO   A HG2    1 
ATOM   1016 H HG3    . PRO   A 1 80  ? -11.823 -18.584 -11.595 1.00 14.65 ? 97  PRO   A HG3    1 
ATOM   1017 H HD2    . PRO   A 1 80  ? -12.375 -18.548 -8.823  1.00 13.96 ? 97  PRO   A HD2    1 
ATOM   1018 H HD3    . PRO   A 1 80  ? -11.645 -17.414 -9.663  1.00 13.96 ? 97  PRO   A HD3    1 
ATOM   1019 N N      . SER   A 1 81  ? -16.815 -18.463 -11.263 1.00 9.71  ? 98  SER   A N      1 
ATOM   1020 C CA     . SER   A 1 81  ? -18.220 -18.613 -10.881 1.00 9.10  ? 98  SER   A CA     1 
ATOM   1021 C C      . SER   A 1 81  ? -19.057 -18.989 -12.085 1.00 9.08  ? 98  SER   A C      1 
ATOM   1022 O O      . SER   A 1 81  ? -19.015 -18.306 -13.119 1.00 9.58  ? 98  SER   A O      1 
ATOM   1023 C CB     . SER   A 1 81  ? -18.731 -17.273 -10.315 1.00 9.83  ? 98  SER   A CB     1 
ATOM   1024 O OG     . SER   A 1 81  ? -20.163 -17.210 -10.328 1.00 9.77  ? 98  SER   A OG     1 
ATOM   1025 H H      . SER   A 1 81  ? -16.697 -18.324 -12.103 1.00 11.65 ? 98  SER   A H      1 
ATOM   1026 H HA     . SER   A 1 81  ? -18.302 -19.327 -10.229 1.00 10.93 ? 98  SER   A HA     1 
ATOM   1027 H HB2    . SER   A 1 81  ? -18.421 -17.180 -9.401  1.00 11.80 ? 98  SER   A HB2    1 
ATOM   1028 H HB3    . SER   A 1 81  ? -18.381 -16.550 -10.859 1.00 11.80 ? 98  SER   A HB3    1 
ATOM   1029 H HG     . SER   A 1 81  ? -20.427 -16.585 -9.833  1.00 11.72 ? 98  SER   A HG     1 
ATOM   1030 N N      . LEU   A 1 82  ? -19.830 -20.071 -11.944 1.00 9.09  ? 99  LEU   A N      1 
ATOM   1031 C CA     . LEU   A 1 82  ? -20.747 -20.434 -13.015 1.00 9.21  ? 99  LEU   A CA     1 
ATOM   1032 C C      . LEU   A 1 82  ? -21.778 -19.342 -13.251 1.00 8.93  ? 99  LEU   A C      1 
ATOM   1033 O O      . LEU   A 1 82  ? -22.141 -19.044 -14.402 1.00 10.08 ? 99  LEU   A O      1 
ATOM   1034 C CB     . LEU   A 1 82  ? -21.490 -21.713 -12.676 1.00 10.16 ? 99  LEU   A CB     1 
ATOM   1035 C CG     . LEU   A 1 82  ? -20.640 -22.977 -12.554 1.00 10.49 ? 99  LEU   A CG     1 
ATOM   1036 C CD1    . LEU   A 1 82  ? -21.471 -24.043 -11.865 1.00 12.90 ? 99  LEU   A CD1    1 
ATOM   1037 C CD2    . LEU   A 1 82  ? -20.126 -23.477 -13.900 1.00 12.33 ? 99  LEU   A CD2    1 
ATOM   1038 H H      . LEU   A 1 82  ? -19.840 -20.591 -11.260 1.00 10.90 ? 99  LEU   A H      1 
ATOM   1039 H HA     . LEU   A 1 82  ? -20.218 -20.571 -13.817 1.00 11.05 ? 99  LEU   A HA     1 
ATOM   1040 H HB2    . LEU   A 1 82  ? -21.937 -21.585 -11.825 1.00 12.19 ? 99  LEU   A HB2    1 
ATOM   1041 H HB3    . LEU   A 1 82  ? -22.144 -21.875 -13.374 1.00 12.19 ? 99  LEU   A HB3    1 
ATOM   1042 H HG     . LEU   A 1 82  ? -19.847 -22.776 -12.031 1.00 12.58 ? 99  LEU   A HG     1 
ATOM   1043 H HD11   . LEU   A 1 82  ? -20.944 -24.854 -11.789 1.00 15.48 ? 99  LEU   A HD11   1 
ATOM   1044 H HD12   . LEU   A 1 82  ? -21.721 -23.727 -10.982 1.00 15.48 ? 99  LEU   A HD12   1 
ATOM   1045 H HD13   . LEU   A 1 82  ? -22.266 -24.213 -12.393 1.00 15.48 ? 99  LEU   A HD13   1 
ATOM   1046 H HD21   . LEU   A 1 82  ? -19.603 -24.281 -13.759 1.00 14.80 ? 99  LEU   A HD21   1 
ATOM   1047 H HD22   . LEU   A 1 82  ? -20.883 -23.671 -14.474 1.00 14.80 ? 99  LEU   A HD22   1 
ATOM   1048 H HD23   . LEU   A 1 82  ? -19.573 -22.789 -14.302 1.00 14.80 ? 99  LEU   A HD23   1 
ATOM   1049 N N      . GLY   A 1 83  ? -22.330 -18.781 -12.172 1.00 9.12  ? 100 GLY   A N      1 
ATOM   1050 C CA     . GLY   A 1 83  ? -23.419 -17.826 -12.320 1.00 9.03  ? 100 GLY   A CA     1 
ATOM   1051 C C      . GLY   A 1 83  ? -22.981 -16.550 -13.009 1.00 8.82  ? 100 GLY   A C      1 
ATOM   1052 O O      . GLY   A 1 83  ? -23.695 -16.021 -13.868 1.00 10.04 ? 100 GLY   A O      1 
ATOM   1053 H H      . GLY   A 1 83  ? -22.094 -18.935 -11.359 1.00 10.94 ? 100 GLY   A H      1 
ATOM   1054 H HA2    . GLY   A 1 83  ? -24.128 -18.228 -12.846 1.00 10.84 ? 100 GLY   A HA2    1 
ATOM   1055 H HA3    . GLY   A 1 83  ? -23.766 -17.597 -11.444 1.00 10.84 ? 100 GLY   A HA3    1 
ATOM   1056 N N      . VAL   A 1 84  ? -21.794 -16.044 -12.657 1.00 8.96  ? 101 VAL   A N      1 
ATOM   1057 C CA     . VAL   A 1 84  ? -21.257 -14.861 -13.331 1.00 9.20  ? 101 VAL   A CA     1 
ATOM   1058 C C      . VAL   A 1 84  ? -21.023 -15.160 -14.800 1.00 9.27  ? 101 VAL   A C      1 
ATOM   1059 O O      . VAL   A 1 84  ? -21.381 -14.356 -15.677 1.00 10.27 ? 101 VAL   A O      1 
ATOM   1060 C CB     . VAL   A 1 84  ? -19.961 -14.393 -12.634 1.00 9.45  ? 101 VAL   A CB     1 
ATOM   1061 C CG1    . VAL   A 1 84  ? -19.295 -13.254 -13.432 1.00 10.84 ? 101 VAL   A CG1    1 
ATOM   1062 C CG2    . VAL   A 1 84  ? -20.235 -13.943 -11.217 1.00 10.13 ? 101 VAL   A CG2    1 
ATOM   1063 H H      . VAL   A 1 84  ? -21.288 -16.363 -12.040 1.00 10.76 ? 101 VAL   A H      1 
ATOM   1064 H HA     . VAL   A 1 84  ? -21.906 -14.144 -13.268 1.00 11.05 ? 101 VAL   A HA     1 
ATOM   1065 H HB     . VAL   A 1 84  ? -19.349 -15.144 -12.599 1.00 11.34 ? 101 VAL   A HB     1 
ATOM   1066 H HG11   . VAL   A 1 84  ? -18.583 -12.869 -12.898 1.00 13.01 ? 101 VAL   A HG11   1 
ATOM   1067 H HG12   . VAL   A 1 84  ? -18.933 -13.615 -14.256 1.00 13.01 ? 101 VAL   A HG12   1 
ATOM   1068 H HG13   . VAL   A 1 84  ? -19.961 -12.577 -13.632 1.00 13.01 ? 101 VAL   A HG13   1 
ATOM   1069 H HG21   . VAL   A 1 84  ? -19.395 -13.711 -10.791 1.00 12.16 ? 101 VAL   A HG21   1 
ATOM   1070 H HG22   . VAL   A 1 84  ? -20.820 -13.170 -11.239 1.00 12.16 ? 101 VAL   A HG22   1 
ATOM   1071 H HG23   . VAL   A 1 84  ? -20.662 -14.667 -10.733 1.00 12.16 ? 101 VAL   A HG23   1 
ATOM   1072 N N      . GLY   A 1 85  ? -20.430 -16.313 -15.107 1.00 9.31  ? 102 GLY   A N      1 
ATOM   1073 C CA     . GLY   A 1 85  ? -20.237 -16.667 -16.509 1.00 10.23 ? 102 GLY   A CA     1 
ATOM   1074 C C      . GLY   A 1 85  ? -21.540 -16.752 -17.281 1.00 9.87  ? 102 GLY   A C      1 
ATOM   1075 O O      . GLY   A 1 85  ? -21.643 -16.267 -18.413 1.00 10.67 ? 102 GLY   A O      1 
ATOM   1076 H H      . GLY   A 1 85  ? -20.138 -16.891 -14.540 1.00 11.17 ? 102 GLY   A H      1 
ATOM   1077 H HA2    . GLY   A 1 85  ? -19.676 -15.998 -16.932 1.00 12.27 ? 102 GLY   A HA2    1 
ATOM   1078 H HA3    . GLY   A 1 85  ? -19.795 -17.529 -16.563 1.00 12.27 ? 102 GLY   A HA3    1 
ATOM   1079 N N      . TYR   A 1 86  ? -22.550 -17.361 -16.667 1.00 9.64  ? 103 TYR   A N      1 
ATOM   1080 C CA     . TYR   A 1 86  ? -23.857 -17.494 -17.287 1.00 9.94  ? 103 TYR   A CA     1 
ATOM   1081 C C      . TYR   A 1 86  ? -24.486 -16.133 -17.542 1.00 10.17 ? 103 TYR   A C      1 
ATOM   1082 O O      . TYR   A 1 86  ? -25.043 -15.894 -18.623 1.00 10.89 ? 103 TYR   A O      1 
ATOM   1083 C CB     . TYR   A 1 86  ? -24.734 -18.376 -16.388 1.00 10.85 ? 103 TYR   A CB     1 
ATOM   1084 C CG     . TYR   A 1 86  ? -26.127 -18.570 -16.908 1.00 11.16 ? 103 TYR   A CG     1 
ATOM   1085 C CD1    . TYR   A 1 86  ? -26.415 -19.555 -17.846 1.00 12.83 ? 103 TYR   A CD1    1 
ATOM   1086 C CD2    . TYR   A 1 86  ? -27.155 -17.753 -16.479 1.00 12.04 ? 103 TYR   A CD2    1 
ATOM   1087 C CE1    . TYR   A 1 86  ? -27.690 -19.725 -18.337 1.00 13.80 ? 103 TYR   A CE1    1 
ATOM   1088 C CE2    . TYR   A 1 86  ? -28.448 -17.902 -16.971 1.00 13.64 ? 103 TYR   A CE2    1 
ATOM   1089 C CZ     . TYR   A 1 86  ? -28.719 -18.893 -17.901 1.00 13.54 ? 103 TYR   A CZ     1 
ATOM   1090 O OH     . TYR   A 1 86  ? -29.990 -19.045 -18.389 1.00 15.81 ? 103 TYR   A OH     1 
ATOM   1091 H H      . TYR   A 1 86  ? -22.501 -17.709 -15.882 1.00 11.57 ? 103 TYR   A H      1 
ATOM   1092 H HA     . TYR   A 1 86  ? -23.777 -17.927 -18.151 1.00 11.93 ? 103 TYR   A HA     1 
ATOM   1093 H HB2    . TYR   A 1 86  ? -24.322 -19.250 -16.311 1.00 13.01 ? 103 TYR   A HB2    1 
ATOM   1094 H HB3    . TYR   A 1 86  ? -24.800 -17.961 -15.513 1.00 13.01 ? 103 TYR   A HB3    1 
ATOM   1095 H HD1    . TYR   A 1 86  ? -25.733 -20.110 -18.148 1.00 15.40 ? 103 TYR   A HD1    1 
ATOM   1096 H HD2    . TYR   A 1 86  ? -26.980 -17.091 -15.851 1.00 14.45 ? 103 TYR   A HD2    1 
ATOM   1097 H HE1    . TYR   A 1 86  ? -27.864 -20.394 -18.958 1.00 16.56 ? 103 TYR   A HE1    1 
ATOM   1098 H HE2    . TYR   A 1 86  ? -29.127 -17.340 -16.676 1.00 16.37 ? 103 TYR   A HE2    1 
ATOM   1099 H HH     . TYR   A 1 86  ? -30.021 -19.704 -18.909 1.00 18.97 ? 103 TYR   A HH     1 
ATOM   1100 N N      . GLU   A 1 87  ? -24.456 -15.251 -16.542 1.00 9.98  ? 104 GLU   A N      1 
ATOM   1101 C CA     . GLU   A 1 87  ? -24.967 -13.897 -16.719 1.00 10.26 ? 104 GLU   A CA     1 
ATOM   1102 C C      . GLU   A 1 87  ? -24.290 -13.214 -17.896 1.00 10.25 ? 104 GLU   A C      1 
ATOM   1103 O O      . GLU   A 1 87  ? -24.946 -12.565 -18.713 1.00 11.56 ? 104 GLU   A O      1 
ATOM   1104 C CB     . GLU   A 1 87  ? -24.749 -13.079 -15.436 1.00 10.63 ? 104 GLU   A CB     1 
ATOM   1105 C CG     . GLU   A 1 87  ? -25.676 -13.472 -14.300 1.00 11.77 ? 104 GLU   A CG     1 
ATOM   1106 C CD     . GLU   A 1 87  ? -25.325 -12.827 -12.948 1.00 11.98 ? 104 GLU   A CD     1 
ATOM   1107 O OE1    . GLU   A 1 87  ? -24.119 -12.783 -12.614 1.00 12.78 ? 104 GLU   A OE1    1 
ATOM   1108 O OE2    . GLU   A 1 87  ? -26.244 -12.398 -12.220 1.00 13.78 ? 104 GLU   A OE2    1 
ATOM   1109 H H      . GLU   A 1 87  ? -24.145 -15.411 -15.756 1.00 11.97 ? 104 GLU   A H      1 
ATOM   1110 H HA     . GLU   A 1 87  ? -25.921 -13.940 -16.893 1.00 12.32 ? 104 GLU   A HA     1 
ATOM   1111 H HB2    . GLU   A 1 87  ? -23.836 -13.210 -15.134 1.00 12.76 ? 104 GLU   A HB2    1 
ATOM   1112 H HB3    . GLU   A 1 87  ? -24.902 -12.142 -15.634 1.00 12.76 ? 104 GLU   A HB3    1 
ATOM   1113 H HG2    . GLU   A 1 87  ? -26.579 -13.202 -14.528 1.00 14.12 ? 104 GLU   A HG2    1 
ATOM   1114 H HG3    . GLU   A 1 87  ? -25.636 -14.434 -14.185 1.00 14.12 ? 104 GLU   A HG3    1 
ATOM   1115 N N      . LEU   A 1 88  ? -22.970 -13.362 -18.004 1.00 10.76 ? 105 LEU   A N      1 
ATOM   1116 C CA     . LEU   A 1 88  ? -22.234 -12.753 -19.109 1.00 11.16 ? 105 LEU   A CA     1 
ATOM   1117 C C      . LEU   A 1 88  ? -22.622 -13.351 -20.453 1.00 11.90 ? 105 LEU   A C      1 
ATOM   1118 O O      . LEU   A 1 88  ? -22.763 -12.617 -21.437 1.00 12.28 ? 105 LEU   A O      1 
ATOM   1119 C CB     . LEU   A 1 88  ? -20.734 -12.846 -18.849 1.00 11.15 ? 105 LEU   A CB     1 
ATOM   1120 C CG     . LEU   A 1 88  ? -20.229 -11.924 -17.724 1.00 11.48 ? 105 LEU   A CG     1 
ATOM   1121 C CD1    . LEU   A 1 88  ? -18.807 -12.294 -17.318 1.00 11.69 ? 105 LEU   A CD1    1 
ATOM   1122 C CD2    . LEU   A 1 88  ? -20.317 -10.459 -18.163 1.00 12.74 ? 105 LEU   A CD2    1 
ATOM   1123 H H      . LEU   A 1 88  ? -22.480 -13.807 -17.455 1.00 12.91 ? 105 LEU   A H      1 
ATOM   1124 H HA     . LEU   A 1 88  ? -22.461 -11.811 -19.155 1.00 13.40 ? 105 LEU   A HA     1 
ATOM   1125 H HB2    . LEU   A 1 88  ? -20.519 -13.758 -18.601 1.00 13.38 ? 105 LEU   A HB2    1 
ATOM   1126 H HB3    . LEU   A 1 88  ? -20.264 -12.603 -19.662 1.00 13.38 ? 105 LEU   A HB3    1 
ATOM   1127 H HG     . LEU   A 1 88  ? -20.791 -12.036 -16.941 1.00 13.78 ? 105 LEU   A HG     1 
ATOM   1128 H HD11   . LEU   A 1 88  ? -18.512 -11.693 -16.616 1.00 14.02 ? 105 LEU   A HD11   1 
ATOM   1129 H HD12   . LEU   A 1 88  ? -18.799 -13.209 -16.995 1.00 14.02 ? 105 LEU   A HD12   1 
ATOM   1130 H HD13   . LEU   A 1 88  ? -18.226 -12.211 -18.090 1.00 14.02 ? 105 LEU   A HD13   1 
ATOM   1131 H HD21   . LEU   A 1 88  ? -19.837 -9.908  -17.525 1.00 15.29 ? 105 LEU   A HD21   1 
ATOM   1132 H HD22   . LEU   A 1 88  ? -19.919 -10.369 -19.043 1.00 15.29 ? 105 LEU   A HD22   1 
ATOM   1133 H HD23   . LEU   A 1 88  ? -21.249 -10.194 -18.194 1.00 15.29 ? 105 LEU   A HD23   1 
ATOM   1134 N N      . GLY   A 1 89  ? -22.829 -14.668 -20.519 1.00 11.86 ? 106 GLY   A N      1 
ATOM   1135 C CA     . GLY   A 1 89  ? -23.249 -15.276 -21.771 1.00 12.43 ? 106 GLY   A CA     1 
ATOM   1136 C C      . GLY   A 1 89  ? -24.620 -14.804 -22.210 1.00 12.64 ? 106 GLY   A C      1 
ATOM   1137 O O      . GLY   A 1 89  ? -24.840 -14.478 -23.371 1.00 13.84 ? 106 GLY   A O      1 
ATOM   1138 H H      . GLY   A 1 89  ? -22.735 -15.218 -19.864 1.00 14.23 ? 106 GLY   A H      1 
ATOM   1139 H HA2    . GLY   A 1 89  ? -22.611 -15.050 -22.467 1.00 14.92 ? 106 GLY   A HA2    1 
ATOM   1140 H HA3    . GLY   A 1 89  ? -23.275 -16.240 -21.667 1.00 14.92 ? 106 GLY   A HA3    1 
ATOM   1141 N N      . ARG   A 1 90  ? -25.566 -14.764 -21.274 1.00 12.32 ? 107 ARG   A N      1 
ATOM   1142 C CA     . ARG   A 1 90  ? -26.878 -14.230 -21.605 1.00 12.45 ? 107 ARG   A CA     1 
ATOM   1143 C C      . ARG   A 1 90  ? -26.785 -12.757 -22.005 1.00 13.83 ? 107 ARG   A C      1 
ATOM   1144 O O      . ARG   A 1 90  ? -27.469 -12.316 -22.926 1.00 14.46 ? 107 ARG   A O      1 
ATOM   1145 C CB     . ARG   A 1 90  ? -27.848 -14.406 -20.437 1.00 12.66 ? 107 ARG   A CB     1 
ATOM   1146 C CG     . ARG   A 1 90  ? -28.175 -15.869 -20.056 1.00 13.43 ? 107 ARG   A CG     1 
ATOM   1147 C CD     . ARG   A 1 90  ? -28.750 -16.710 -21.197 1.00 15.50 ? 107 ARG   A CD     1 
ATOM   1148 N NE     . ARG   A 1 90  ? -29.994 -16.188 -21.740 1.00 15.66 ? 107 ARG   A NE     1 
ATOM   1149 C CZ     . ARG   A 1 90  ? -31.204 -16.513 -21.320 1.00 17.58 ? 107 ARG   A CZ     1 
ATOM   1150 N NH1    . ARG   A 1 90  ? -31.382 -17.309 -20.279 1.00 18.98 ? 107 ARG   A NH1    1 
ATOM   1151 N NH2    . ARG   A 1 90  ? -32.260 -16.008 -21.948 1.00 20.54 ? 107 ARG   A NH2    1 
ATOM   1152 H H      . ARG   A 1 90  ? -25.474 -15.032 -20.462 1.00 14.78 ? 107 ARG   A H      1 
ATOM   1153 H HA     . ARG   A 1 90  ? -27.233 -14.733 -22.355 1.00 14.94 ? 107 ARG   A HA     1 
ATOM   1154 H HB2    . ARG   A 1 90  ? -27.462 -13.984 -19.654 1.00 15.19 ? 107 ARG   A HB2    1 
ATOM   1155 H HB3    . ARG   A 1 90  ? -28.685 -13.974 -20.669 1.00 15.19 ? 107 ARG   A HB3    1 
ATOM   1156 H HG2    . ARG   A 1 90  ? -27.360 -16.301 -19.757 1.00 16.11 ? 107 ARG   A HG2    1 
ATOM   1157 H HG3    . ARG   A 1 90  ? -28.830 -15.863 -19.340 1.00 16.11 ? 107 ARG   A HG3    1 
ATOM   1158 H HD2    . ARG   A 1 90  ? -28.103 -16.742 -21.919 1.00 18.60 ? 107 ARG   A HD2    1 
ATOM   1159 H HD3    . ARG   A 1 90  ? -28.924 -17.606 -20.868 1.00 18.60 ? 107 ARG   A HD3    1 
ATOM   1160 H HE     . ARG   A 1 90  ? -29.938 -15.623 -22.386 1.00 18.79 ? 107 ARG   A HE     1 
ATOM   1161 H HH11   . ARG   A 1 90  ? -30.702 -17.627 -19.859 1.00 22.78 ? 107 ARG   A HH11   1 
ATOM   1162 H HH12   . ARG   A 1 90  ? -32.178 -17.508 -20.021 1.00 22.78 ? 107 ARG   A HH12   1 
ATOM   1163 H HH21   . ARG   A 1 90  ? -32.150 -15.478 -22.617 1.00 24.64 ? 107 ARG   A HH21   1 
ATOM   1164 H HH22   . ARG   A 1 90  ? -33.054 -16.210 -21.686 1.00 24.64 ? 107 ARG   A HH22   1 
ATOM   1165 N N      . ALA   A 1 91  ? -25.947 -11.986 -21.313 1.00 13.07 ? 108 ALA   A N      1 
ATOM   1166 C CA     . ALA   A 1 91  ? -25.825 -10.558 -21.606 1.00 13.18 ? 108 ALA   A CA     1 
ATOM   1167 C C      . ALA   A 1 91  ? -25.288 -10.332 -23.006 1.00 14.84 ? 108 ALA   A C      1 
ATOM   1168 O O      . ALA   A 1 91  ? -25.770 -9.452  -23.725 1.00 15.56 ? 108 ALA   A O      1 
ATOM   1169 C CB     . ALA   A 1 91  ? -24.935 -9.890  -20.565 1.00 13.43 ? 108 ALA   A CB     1 
ATOM   1170 H H      . ALA   A 1 91  ? -25.442 -12.261 -20.674 1.00 15.69 ? 108 ALA   A H      1 
ATOM   1171 H HA     . ALA   A 1 91  ? -26.702 -10.147 -21.556 1.00 15.82 ? 108 ALA   A HA     1 
ATOM   1172 H HB1    . ALA   A 1 91  ? -24.863 -8.945  -20.771 1.00 16.12 ? 108 ALA   A HB1    1 
ATOM   1173 H HB2    . ALA   A 1 91  ? -25.331 -10.009 -19.688 1.00 16.12 ? 108 ALA   A HB2    1 
ATOM   1174 H HB3    . ALA   A 1 91  ? -24.057 -10.301 -20.590 1.00 16.12 ? 108 ALA   A HB3    1 
ATOM   1175 N N      . VAL   A 1 92  ? -24.273 -11.106 -23.408 1.00 14.52 ? 109 VAL   A N      1 
ATOM   1176 C CA     . VAL   A 1 92  ? -23.735 -10.975 -24.757 1.00 17.32 ? 109 VAL   A CA     1 
ATOM   1177 C C      . VAL   A 1 92  ? -24.827 -11.243 -25.774 1.00 18.51 ? 109 VAL   A C      1 
ATOM   1178 O O      . VAL   A 1 92  ? -24.950 -10.542 -26.789 1.00 19.70 ? 109 VAL   A O      1 
ATOM   1179 C CB     . VAL   A 1 92  ? -22.559 -11.944 -24.985 1.00 19.52 ? 109 VAL   A CB     1 
ATOM   1180 C CG1    . VAL   A 1 92  ? -22.246 -12.057 -26.481 1.00 21.24 ? 109 VAL   A CG1    1 
ATOM   1181 C CG2    . VAL   A 1 92  ? -21.361 -11.489 -24.231 1.00 18.58 ? 109 VAL   A CG2    1 
ATOM   1182 H H      . VAL   A 1 92  ? -23.888 -11.704 -22.924 1.00 17.43 ? 109 VAL   A H      1 
ATOM   1183 H HA     . VAL   A 1 92  ? -23.407 -10.067 -24.857 1.00 20.78 ? 109 VAL   A HA     1 
ATOM   1184 H HB     . VAL   A 1 92  ? -22.804 -12.824 -24.659 1.00 23.42 ? 109 VAL   A HB     1 
ATOM   1185 H HG11   . VAL   A 1 92  ? -21.347 -12.406 -26.591 1.00 25.48 ? 109 VAL   A HG11   1 
ATOM   1186 H HG12   . VAL   A 1 92  ? -22.886 -12.657 -26.894 1.00 25.48 ? 109 VAL   A HG12   1 
ATOM   1187 H HG13   . VAL   A 1 92  ? -22.310 -11.177 -26.884 1.00 25.48 ? 109 VAL   A HG13   1 
ATOM   1188 H HG21   . VAL   A 1 92  ? -20.641 -12.125 -24.368 1.00 22.30 ? 109 VAL   A HG21   1 
ATOM   1189 H HG22   . VAL   A 1 92  ? -21.096 -10.615 -24.556 1.00 22.30 ? 109 VAL   A HG22   1 
ATOM   1190 H HG23   . VAL   A 1 92  ? -21.581 -11.439 -23.288 1.00 22.30 ? 109 VAL   A HG23   1 
ATOM   1191 N N      . ALA   A 1 93  ? -25.618 -12.290 -25.542 1.00 17.71 ? 110 ALA   A N      1 
ATOM   1192 C CA     . ALA   A 1 93  ? -26.662 -12.638 -26.494 1.00 20.73 ? 110 ALA   A CA     1 
ATOM   1193 C C      . ALA   A 1 93  ? -27.747 -11.578 -26.552 1.00 20.51 ? 110 ALA   A C      1 
ATOM   1194 O O      . ALA   A 1 93  ? -28.389 -11.422 -27.595 1.00 23.74 ? 110 ALA   A O      1 
ATOM   1195 C CB     . ALA   A 1 93  ? -27.242 -14.014 -26.155 1.00 22.03 ? 110 ALA   A CB     1 
ATOM   1196 H H      . ALA   A 1 93  ? -25.571 -12.803 -24.853 1.00 21.25 ? 110 ALA   A H      1 
ATOM   1197 H HA     . ALA   A 1 93  ? -26.274 -12.699 -27.381 1.00 24.88 ? 110 ALA   A HA     1 
ATOM   1198 H HB1    . ALA   A 1 93  ? -27.941 -14.227 -26.793 1.00 26.44 ? 110 ALA   A HB1    1 
ATOM   1199 H HB2    . ALA   A 1 93  ? -26.535 -14.676 -26.205 1.00 26.44 ? 110 ALA   A HB2    1 
ATOM   1200 H HB3    . ALA   A 1 93  ? -27.609 -13.989 -25.258 1.00 26.44 ? 110 ALA   A HB3    1 
ATOM   1201 N N      . PHE   A 1 94  ? -27.971 -10.852 -25.454 1.00 18.27 ? 111 PHE   A N      1 
ATOM   1202 C CA     . PHE   A 1 94  ? -28.840 -9.678  -25.467 1.00 19.75 ? 111 PHE   A CA     1 
ATOM   1203 C C      . PHE   A 1 94  ? -28.155 -8.430  -26.030 1.00 20.10 ? 111 PHE   A C      1 
ATOM   1204 O O      . PHE   A 1 94  ? -28.771 -7.355  -26.052 1.00 23.29 ? 111 PHE   A O      1 
ATOM   1205 C CB     . PHE   A 1 94  ? -29.323 -9.372  -24.034 1.00 21.43 ? 111 PHE   A CB     1 
ATOM   1206 C CG     . PHE   A 1 94  ? -30.314 -10.370 -23.460 1.00 22.00 ? 111 PHE   A CG     1 
ATOM   1207 C CD1    . PHE   A 1 94  ? -31.366 -10.852 -24.215 1.00 25.10 ? 111 PHE   A CD1    1 
ATOM   1208 C CD2    . PHE   A 1 94  ? -30.206 -10.792 -22.139 1.00 24.07 ? 111 PHE   A CD2    1 
ATOM   1209 C CE1    . PHE   A 1 94  ? -32.269 -11.757 -23.671 1.00 26.48 ? 111 PHE   A CE1    1 
ATOM   1210 C CE2    . PHE   A 1 94  ? -31.110 -11.694 -21.600 1.00 24.38 ? 111 PHE   A CE2    1 
ATOM   1211 C CZ     . PHE   A 1 94  ? -32.145 -12.165 -22.370 1.00 24.81 ? 111 PHE   A CZ     1 
ATOM   1212 H H      . PHE   A 1 94  ? -27.627 -11.021 -24.684 1.00 21.92 ? 111 PHE   A H      1 
ATOM   1213 H HA     . PHE   A 1 94  ? -29.611 -9.876  -26.022 1.00 23.70 ? 111 PHE   A HA     1 
ATOM   1214 H HB2    . PHE   A 1 94  ? -28.552 -9.358  -23.447 1.00 25.71 ? 111 PHE   A HB2    1 
ATOM   1215 H HB3    . PHE   A 1 94  ? -29.755 -8.503  -24.035 1.00 25.71 ? 111 PHE   A HB3    1 
ATOM   1216 H HD1    . PHE   A 1 94  ? -31.471 -10.568 -25.094 1.00 30.12 ? 111 PHE   A HD1    1 
ATOM   1217 H HD2    . PHE   A 1 94  ? -29.517 -10.463 -21.609 1.00 28.89 ? 111 PHE   A HD2    1 
ATOM   1218 H HE1    . PHE   A 1 94  ? -32.963 -12.089 -24.195 1.00 31.78 ? 111 PHE   A HE1    1 
ATOM   1219 H HE2    . PHE   A 1 94  ? -31.016 -11.979 -20.720 1.00 29.26 ? 111 PHE   A HE2    1 
ATOM   1220 H HZ     . PHE   A 1 94  ? -32.761 -12.760 -22.007 1.00 29.77 ? 111 PHE   A HZ     1 
ATOM   1221 N N      . ASN   A 1 95  ? -26.901 -8.539  -26.489 1.00 20.66 ? 112 ASN   A N      1 
ATOM   1222 C CA     A ASN   A 1 95  ? -26.147 -7.403  -27.031 0.43 21.55 ? 112 ASN   A CA     1 
ATOM   1223 C CA     B ASN   A 1 95  ? -26.144 -7.404  -27.032 0.57 21.49 ? 112 ASN   A CA     1 
ATOM   1224 C C      . ASN   A 1 95  ? -26.020 -6.263  -26.021 1.00 20.46 ? 112 ASN   A C      1 
ATOM   1225 O O      . ASN   A 1 95  ? -26.155 -5.083  -26.365 1.00 22.54 ? 112 ASN   A O      1 
ATOM   1226 C CB     A ASN   A 1 95  ? -26.713 -6.924  -28.368 0.43 26.86 ? 112 ASN   A CB     1 
ATOM   1227 C CB     B ASN   A 1 95  ? -26.678 -6.926  -28.380 0.57 26.89 ? 112 ASN   A CB     1 
ATOM   1228 C CG     A ASN   A 1 95  ? -26.730 -8.021  -29.402 0.43 23.68 ? 112 ASN   A CG     1 
ATOM   1229 C CG     B ASN   A 1 95  ? -25.672 -6.077  -29.119 0.57 30.51 ? 112 ASN   A CG     1 
ATOM   1230 O OD1    A ASN   A 1 95  ? -25.683 -8.550  -29.777 0.43 29.80 ? 112 ASN   A OD1    1 
ATOM   1231 O OD1    B ASN   A 1 95  ? -24.461 -6.285  -29.003 0.57 31.38 ? 112 ASN   A OD1    1 
ATOM   1232 N ND2    A ASN   A 1 95  ? -27.919 -8.378  -29.862 0.43 27.68 ? 112 ASN   A ND2    1 
ATOM   1233 N ND2    B ASN   A 1 95  ? -26.162 -5.108  -29.874 0.57 30.02 ? 112 ASN   A ND2    1 
ATOM   1234 H H      . ASN   A 1 95  ? -26.459 -9.277  -26.496 1.00 24.79 ? 112 ASN   A H      1 
ATOM   1235 H HA     . ASN   A 1 95  ? -25.244 -7.710  -27.206 1.00 25.79 ? 112 ASN   A HA     1 
ATOM   1236 H HB2    A ASN   A 1 95  ? -27.623 -6.617  -28.237 0.43 32.23 ? 112 ASN   A HB2    1 
ATOM   1237 H HB2    B ASN   A 1 95  ? -26.889 -7.696  -28.931 0.57 32.26 ? 112 ASN   A HB2    1 
ATOM   1238 H HB3    A ASN   A 1 95  ? -26.163 -6.199  -28.705 0.43 32.23 ? 112 ASN   A HB3    1 
ATOM   1239 H HB3    B ASN   A 1 95  ? -27.476 -6.393  -28.235 0.57 32.26 ? 112 ASN   A HB3    1 
ATOM   1240 H HD21   A ASN   A 1 95  ? -28.628 -7.989  -29.570 0.43 33.21 ? 112 ASN   A HD21   1 
ATOM   1241 H HD21   B ASN   A 1 95  ? -27.012 -4.990  -29.924 0.57 36.02 ? 112 ASN   A HD21   1 
ATOM   1242 H HD22   A ASN   A 1 95  ? -27.982 -8.999  -30.454 0.43 33.21 ? 112 ASN   A HD22   1 
ATOM   1243 H HD22   B ASN   A 1 95  ? -25.630 -4.597  -30.316 0.57 36.02 ? 112 ASN   A HD22   1 
ATOM   1244 N N      . LYS   A 1 96  ? -25.735 -6.612  -24.770 1.00 17.89 ? 113 LYS   A N      1 
ATOM   1245 C CA     . LYS   A 1 96  ? -25.539 -5.600  -23.745 1.00 17.22 ? 113 LYS   A CA     1 
ATOM   1246 C C      . LYS   A 1 96  ? -24.110 -5.068  -23.782 1.00 18.52 ? 113 LYS   A C      1 
ATOM   1247 O O      . LYS   A 1 96  ? -23.157 -5.782  -24.128 1.00 20.37 ? 113 LYS   A O      1 
ATOM   1248 C CB     . LYS   A 1 96  ? -25.773 -6.236  -22.383 1.00 18.04 ? 113 LYS   A CB     1 
ATOM   1249 C CG     . LYS   A 1 96  ? -27.241 -6.490  -22.034 1.00 23.17 ? 113 LYS   A CG     1 
ATOM   1250 C CD     . LYS   A 1 96  ? -28.083 -5.231  -22.172 1.00 27.82 ? 113 LYS   A CD     1 
ATOM   1251 C CE     . LYS   A 1 96  ? -29.566 -5.536  -22.219 1.00 31.72 ? 113 LYS   A CE     1 
ATOM   1252 N NZ     . LYS   A 1 96  ? -30.343 -4.280  -22.137 1.00 29.16 ? 113 LYS   A NZ     1 
ATOM   1253 H H      . LYS   A 1 96  ? -25.652 -7.422  -24.494 1.00 21.47 ? 113 LYS   A H      1 
ATOM   1254 H HA     . LYS   A 1 96  ? -26.150 -4.861  -23.887 1.00 20.67 ? 113 LYS   A HA     1 
ATOM   1255 H HB2    . LYS   A 1 96  ? -25.316 -7.091  -22.360 1.00 21.65 ? 113 LYS   A HB2    1 
ATOM   1256 H HB3    . LYS   A 1 96  ? -25.410 -5.648  -21.703 1.00 21.65 ? 113 LYS   A HB3    1 
ATOM   1257 H HG2    . LYS   A 1 96  ? -27.600 -7.162  -22.634 1.00 27.81 ? 113 LYS   A HG2    1 
ATOM   1258 H HG3    . LYS   A 1 96  ? -27.303 -6.796  -21.116 1.00 27.81 ? 113 LYS   A HG3    1 
ATOM   1259 H HD2    . LYS   A 1 96  ? -27.918 -4.652  -21.412 1.00 33.38 ? 113 LYS   A HD2    1 
ATOM   1260 H HD3    . LYS   A 1 96  ? -27.842 -4.776  -22.994 1.00 33.38 ? 113 LYS   A HD3    1 
ATOM   1261 H HE2    . LYS   A 1 96  ? -29.782 -5.982  -23.053 1.00 38.06 ? 113 LYS   A HE2    1 
ATOM   1262 H HE3    . LYS   A 1 96  ? -29.808 -6.101  -21.469 1.00 38.06 ? 113 LYS   A HE3    1 
ATOM   1263 H HZ1    . LYS   A 1 96  ? -30.141 -3.752  -22.825 1.00 34.99 ? 113 LYS   A HZ1    1 
ATOM   1264 H HZ2    . LYS   A 1 96  ? -31.214 -4.458  -22.156 1.00 34.99 ? 113 LYS   A HZ2    1 
ATOM   1265 H HZ3    . LYS   A 1 96  ? -30.151 -3.853  -21.380 1.00 34.99 ? 113 LYS   A HZ3    1 
ATOM   1266 N N      . ARG   A 1 97  ? -23.983 -3.820  -23.331 1.00 18.25 ? 114 ARG   A N      1 
ATOM   1267 C CA     . ARG   A 1 97  ? -22.663 -3.230  -23.082 1.00 18.55 ? 114 ARG   A CA     1 
ATOM   1268 C C      . ARG   A 1 97  ? -22.176 -3.897  -21.792 1.00 17.16 ? 114 ARG   A C      1 
ATOM   1269 O O      . ARG   A 1 97  ? -22.952 -3.911  -20.872 1.00 16.73 ? 114 ARG   A O      1 
ATOM   1270 C CB     . ARG   A 1 97  ? -22.753 -1.712  -22.929 1.00 19.99 ? 114 ARG   A CB     1 
ATOM   1271 C CG     . ARG   A 1 97  ? -21.402 -1.019  -22.895 1.00 27.63 ? 114 ARG   A CG     1 
ATOM   1272 C CD     . ARG   A 1 97  ? -21.510 0.470   -22.591 1.00 34.98 ? 114 ARG   A CD     1 
ATOM   1273 N NE     . ARG   A 1 97  ? -22.681 1.106   -23.202 1.00 44.95 ? 114 ARG   A NE     1 
ATOM   1274 C CZ     . ARG   A 1 97  ? -23.603 1.797   -22.542 1.00 51.50 ? 114 ARG   A CZ     1 
ATOM   1275 N NH1    . ARG   A 1 97  ? -23.247 2.826   -21.797 1.00 46.34 ? 114 ARG   A NH1    1 
ATOM   1276 N NH2    . ARG   A 1 97  ? -24.877 1.459   -22.627 1.00 41.24 ? 114 ARG   A NH2    1 
ATOM   1277 H H      . ARG   A 1 97  ? -24.686 -3.280  -23.166 1.00 21.90 ? 114 ARG   A H      1 
ATOM   1278 H HA     . ARG   A 1 97  ? -22.061 -3.456  -23.829 1.00 22.26 ? 114 ARG   A HA     1 
ATOM   1279 H HB2    . ARG   A 1 97  ? -23.275 -1.358  -23.681 1.00 23.98 ? 114 ARG   A HB2    1 
ATOM   1280 H HB3    . ARG   A 1 97  ? -23.238 -1.502  -22.103 1.00 23.98 ? 114 ARG   A HB3    1 
ATOM   1281 H HG2    . ARG   A 1 97  ? -20.843 -1.445  -22.213 1.00 33.16 ? 114 ARG   A HG2    1 
ATOM   1282 H HG3    . ARG   A 1 97  ? -20.960 -1.138  -23.763 1.00 33.16 ? 114 ARG   A HG3    1 
ATOM   1283 H HD2    . ARG   A 1 97  ? -21.557 0.585   -21.620 1.00 41.98 ? 114 ARG   A HD2    1 
ATOM   1284 H HD3    . ARG   A 1 97  ? -20.701 0.919   -22.907 1.00 41.98 ? 114 ARG   A HD3    1 
ATOM   1285 H HE     . ARG   A 1 97  ? -22.785 1.018   -24.059 1.00 53.94 ? 114 ARG   A HE     1 
ATOM   1286 H HH11   . ARG   A 1 97  ? -22.627 3.384   -22.088 1.00 55.61 ? 114 ARG   A HH11   1 
ATOM   1287 H HH12   . ARG   A 1 97  ? -23.626 2.945   -21.008 1.00 55.61 ? 114 ARG   A HH12   1 
ATOM   1288 H HH21   . ARG   A 1 97  ? -25.209 1.204   -23.405 1.00 49.49 ? 114 ARG   A HH21   1 
ATOM   1289 H HH22   . ARG   A 1 97  ? -25.383 1.476   -21.901 1.00 49.49 ? 114 ARG   A HH22   1 
ATOM   1290 N N      . ILE   A 1 98  ? -20.957 -4.374  -21.757 1.00 15.48 ? 115 ILE   A N      1 
ATOM   1291 C CA     . ILE   A 1 98  ? -20.415 -5.200  -20.692 1.00 14.87 ? 115 ILE   A CA     1 
ATOM   1292 C C      . ILE   A 1 98  ? -19.026 -4.700  -20.344 1.00 14.08 ? 115 ILE   A C      1 
ATOM   1293 O O      . ILE   A 1 98  ? -18.192 -4.487  -21.228 1.00 15.41 ? 115 ILE   A O      1 
ATOM   1294 C CB     . ILE   A 1 98  ? -20.346 -6.675  -21.141 1.00 14.27 ? 115 ILE   A CB     1 
ATOM   1295 C CG1    . ILE   A 1 98  ? -21.759 -7.260  -21.236 1.00 14.74 ? 115 ILE   A CG1    1 
ATOM   1296 C CG2    . ILE   A 1 98  ? -19.450 -7.466  -20.229 1.00 14.22 ? 115 ILE   A CG2    1 
ATOM   1297 C CD1    . ILE   A 1 98  ? -21.829 -8.507  -22.130 1.00 16.80 ? 115 ILE   A CD1    1 
ATOM   1298 H H      . ILE   A 1 98  ? -20.397 -4.253  -22.398 1.00 18.57 ? 115 ILE   A H      1 
ATOM   1299 H HA     . ILE   A 1 98  ? -20.970 -5.121  -19.899 1.00 17.84 ? 115 ILE   A HA     1 
ATOM   1300 H HB     . ILE   A 1 98  ? -19.955 -6.723  -22.027 1.00 17.12 ? 115 ILE   A HB     1 
ATOM   1301 H HG12   . ILE   A 1 98  ? -22.056 -7.511  -20.347 1.00 17.69 ? 115 ILE   A HG12   1 
ATOM   1302 H HG13   . ILE   A 1 98  ? -22.353 -6.590  -21.608 1.00 17.69 ? 115 ILE   A HG13   1 
ATOM   1303 H HG21   . ILE   A 1 98  ? -19.640 -8.410  -20.340 1.00 17.06 ? 115 ILE   A HG21   1 
ATOM   1304 H HG22   . ILE   A 1 98  ? -18.526 -7.285  -20.461 1.00 17.06 ? 115 ILE   A HG22   1 
ATOM   1305 H HG23   . ILE   A 1 98  ? -19.619 -7.200  -19.312 1.00 17.06 ? 115 ILE   A HG23   1 
ATOM   1306 H HD11   . ILE   A 1 98  ? -22.748 -8.816  -22.169 1.00 20.16 ? 115 ILE   A HD11   1 
ATOM   1307 H HD12   . ILE   A 1 98  ? -21.520 -8.276  -23.020 1.00 20.16 ? 115 ILE   A HD12   1 
ATOM   1308 H HD13   . ILE   A 1 98  ? -21.264 -9.199  -21.752 1.00 20.16 ? 115 ILE   A HD13   1 
ATOM   1309 N N      . LEU   A 1 99  ? -18.766 -4.570  -19.041 1.00 15.07 ? 116 LEU   A N      1 
ATOM   1310 C CA     . LEU   A 1 99  ? -17.455 -4.235  -18.498 1.00 14.06 ? 116 LEU   A CA     1 
ATOM   1311 C C      . LEU   A 1 99  ? -17.094 -5.336  -17.509 1.00 13.25 ? 116 LEU   A C      1 
ATOM   1312 O O      . LEU   A 1 99  ? -17.790 -5.516  -16.493 1.00 13.42 ? 116 LEU   A O      1 
ATOM   1313 C CB     . LEU   A 1 99  ? -17.509 -2.903  -17.757 1.00 16.07 ? 116 LEU   A CB     1 
ATOM   1314 C CG     . LEU   A 1 99  ? -16.235 -2.549  -16.993 1.00 17.13 ? 116 LEU   A CG     1 
ATOM   1315 C CD1    . LEU   A 1 99  ? -15.031 -2.397  -17.896 1.00 20.01 ? 116 LEU   A CD1    1 
ATOM   1316 C CD2    . LEU   A 1 99  ? -16.443 -1.289  -16.152 1.00 19.29 ? 116 LEU   A CD2    1 
ATOM   1317 H H      . LEU   A 1 99  ? -19.361 -4.676  -18.430 1.00 18.08 ? 116 LEU   A H      1 
ATOM   1318 H HA     . LEU   A 1 99  ? -16.801 -4.185  -19.212 1.00 16.87 ? 116 LEU   A HA     1 
ATOM   1319 H HB2    . LEU   A 1 99  ? -17.669 -2.198  -18.404 1.00 19.28 ? 116 LEU   A HB2    1 
ATOM   1320 H HB3    . LEU   A 1 99  ? -18.236 -2.937  -17.116 1.00 19.28 ? 116 LEU   A HB3    1 
ATOM   1321 H HG     . LEU   A 1 99  ? -16.037 -3.290  -16.399 1.00 20.56 ? 116 LEU   A HG     1 
ATOM   1322 H HD11   . LEU   A 1 99  ? -14.269 -2.121  -17.364 1.00 24.01 ? 116 LEU   A HD11   1 
ATOM   1323 H HD12   . LEU   A 1 99  ? -14.846 -3.249  -18.322 1.00 24.01 ? 116 LEU   A HD12   1 
ATOM   1324 H HD13   . LEU   A 1 99  ? -15.224 -1.726  -18.570 1.00 24.01 ? 116 LEU   A HD13   1 
ATOM   1325 H HD21   . LEU   A 1 99  ? -15.617 -1.077  -15.689 1.00 23.15 ? 116 LEU   A HD21   1 
ATOM   1326 H HD22   . LEU   A 1 99  ? -16.692 -0.556  -16.737 1.00 23.15 ? 116 LEU   A HD22   1 
ATOM   1327 H HD23   . LEU   A 1 99  ? -17.150 -1.453  -15.508 1.00 23.15 ? 116 LEU   A HD23   1 
ATOM   1328 N N      . CYS   A 1 100 ? -16.033 -6.077  -17.801 1.00 12.95 ? 117 CYS   A N      1 
ATOM   1329 C CA     . CYS   A 1 100 ? -15.482 -7.069  -16.896 1.00 12.56 ? 117 CYS   A CA     1 
ATOM   1330 C C      . CYS   A 1 100 ? -14.192 -6.553  -16.283 1.00 13.05 ? 117 CYS   A C      1 
ATOM   1331 O O      . CYS   A 1 100 ? -13.352 -5.991  -16.977 1.00 15.04 ? 117 CYS   A O      1 
ATOM   1332 C CB     . CYS   A 1 100 ? -15.199 -8.389  -17.627 1.00 12.54 ? 117 CYS   A CB     1 
ATOM   1333 S SG     . CYS   A 1 100 ? -16.651 -9.268  -18.157 1.00 13.61 ? 117 CYS   A SG     1 
ATOM   1334 H H      . CYS   A 1 100 ? -15.602 -6.019  -18.543 1.00 15.54 ? 117 CYS   A H      1 
ATOM   1335 H HA     . CYS   A 1 100 ? -16.123 -7.240  -16.188 1.00 15.07 ? 117 CYS   A HA     1 
ATOM   1336 H HB2    . CYS   A 1 100 ? -14.669 -8.196  -18.417 1.00 15.05 ? 117 CYS   A HB2    1 
ATOM   1337 H HB3    . CYS   A 1 100 ? -14.705 -8.972  -17.030 1.00 15.05 ? 117 CYS   A HB3    1 
ATOM   1338 H HG     . CYS   A 1 100 ? -16.315 -10.272 -18.722 1.00 16.33 ? 117 CYS   A HG     1 
ATOM   1339 N N      . LEU   A 1 101 ? -14.017 -6.821  -14.987 1.00 12.69 ? 118 LEU   A N      1 
ATOM   1340 C CA     . LEU   A 1 101 ? -12.902 -6.335  -14.178 1.00 13.37 ? 118 LEU   A CA     1 
ATOM   1341 C C      . LEU   A 1 101 ? -12.190 -7.547  -13.602 1.00 12.46 ? 118 LEU   A C      1 
ATOM   1342 O O      . LEU   A 1 101 ? -12.825 -8.372  -12.939 1.00 12.64 ? 118 LEU   A O      1 
ATOM   1343 C CB     . LEU   A 1 101 ? -13.443 -5.489  -13.030 1.00 14.50 ? 118 LEU   A CB     1 
ATOM   1344 C CG     . LEU   A 1 101 ? -14.327 -4.323  -13.481 1.00 17.35 ? 118 LEU   A CG     1 
ATOM   1345 C CD1    . LEU   A 1 101 ? -14.985 -3.625  -12.281 1.00 20.39 ? 118 LEU   A CD1    1 
ATOM   1346 C CD2    . LEU   A 1 101 ? -13.550 -3.350  -14.326 1.00 22.01 ? 118 LEU   A CD2    1 
ATOM   1347 H H      . LEU   A 1 101 ? -14.561 -7.309  -14.533 1.00 15.23 ? 118 LEU   A H      1 
ATOM   1348 H HA     . LEU   A 1 101 ? -12.286 -5.815  -14.717 1.00 16.05 ? 118 LEU   A HA     1 
ATOM   1349 H HB2    . LEU   A 1 101 ? -13.974 -6.056  -12.450 1.00 17.40 ? 118 LEU   A HB2    1 
ATOM   1350 H HB3    . LEU   A 1 101 ? -12.694 -5.119  -12.537 1.00 17.40 ? 118 LEU   A HB3    1 
ATOM   1351 H HG     . LEU   A 1 101 ? -15.043 -4.677  -14.032 1.00 20.82 ? 118 LEU   A HG     1 
ATOM   1352 H HD11   . LEU   A 1 101 ? -15.542 -2.900  -12.604 1.00 24.47 ? 118 LEU   A HD11   1 
ATOM   1353 H HD12   . LEU   A 1 101 ? -15.526 -4.269  -11.798 1.00 24.47 ? 118 LEU   A HD12   1 
ATOM   1354 H HD13   . LEU   A 1 101 ? -14.291 -3.275  -11.700 1.00 24.47 ? 118 LEU   A HD13   1 
ATOM   1355 H HD21   . LEU   A 1 101 ? -14.108 -2.580  -14.516 1.00 26.41 ? 118 LEU   A HD21   1 
ATOM   1356 H HD22   . LEU   A 1 101 ? -12.758 -3.072  -13.839 1.00 26.41 ? 118 LEU   A HD22   1 
ATOM   1357 H HD23   . LEU   A 1 101 ? -13.293 -3.785  -15.153 1.00 26.41 ? 118 LEU   A HD23   1 
ATOM   1358 N N      . PHE   A 1 102 ? -10.874 -7.660  -13.869 1.00 13.86 ? 119 PHE   A N      1 
ATOM   1359 C CA     . PHE   A 1 102 ? -10.086 -8.824  -13.485 1.00 13.61 ? 119 PHE   A CA     1 
ATOM   1360 C C      . PHE   A 1 102 ? -8.808  -8.374  -12.801 1.00 14.46 ? 119 PHE   A C      1 
ATOM   1361 O O      . PHE   A 1 102 ? -8.155  -7.439  -13.265 1.00 15.44 ? 119 PHE   A O      1 
ATOM   1362 C CB     . PHE   A 1 102 ? -9.725  -9.694  -14.707 1.00 14.68 ? 119 PHE   A CB     1 
ATOM   1363 C CG     . PHE   A 1 102 ? -8.869  -10.879 -14.361 1.00 14.42 ? 119 PHE   A CG     1 
ATOM   1364 C CD1    . PHE   A 1 102 ? -9.414  -11.961 -13.687 1.00 13.60 ? 119 PHE   A CD1    1 
ATOM   1365 C CD2    . PHE   A 1 102 ? -7.521  -10.895 -14.666 1.00 15.74 ? 119 PHE   A CD2    1 
ATOM   1366 C CE1    . PHE   A 1 102 ? -8.619  -13.036 -13.325 1.00 16.16 ? 119 PHE   A CE1    1 
ATOM   1367 C CE2    . PHE   A 1 102 ? -6.732  -11.975 -14.317 1.00 17.52 ? 119 PHE   A CE2    1 
ATOM   1368 C CZ     . PHE   A 1 102 ? -7.281  -13.045 -13.646 1.00 18.29 ? 119 PHE   A CZ     1 
ATOM   1369 H H      . PHE   A 1 102 ? -10.417 -7.058  -14.279 1.00 16.63 ? 119 PHE   A H      1 
ATOM   1370 H HA     . PHE   A 1 102 ? -10.602 -9.361  -12.863 1.00 16.34 ? 119 PHE   A HA     1 
ATOM   1371 H HB2    . PHE   A 1 102 ? -10.543 -10.025 -15.109 1.00 17.62 ? 119 PHE   A HB2    1 
ATOM   1372 H HB3    . PHE   A 1 102 ? -9.237  -9.151  -15.346 1.00 17.62 ? 119 PHE   A HB3    1 
ATOM   1373 H HD1    . PHE   A 1 102 ? -10.320 -11.966 -13.477 1.00 16.33 ? 119 PHE   A HD1    1 
ATOM   1374 H HD2    . PHE   A 1 102 ? -7.141  -10.171 -15.110 1.00 18.88 ? 119 PHE   A HD2    1 
ATOM   1375 H HE1    . PHE   A 1 102 ? -8.991  -13.754 -12.865 1.00 19.39 ? 119 PHE   A HE1    1 
ATOM   1376 H HE2    . PHE   A 1 102 ? -5.828  -11.979 -14.536 1.00 21.02 ? 119 PHE   A HE2    1 
ATOM   1377 H HZ     . PHE   A 1 102 ? -6.749  -13.771 -13.410 1.00 21.94 ? 119 PHE   A HZ     1 
ATOM   1378 N N      . ARG   A 1 103 ? -8.433  -9.057  -11.723 1.00 13.66 ? 120 ARG   A N      1 
ATOM   1379 C CA     . ARG   A 1 103 ? -7.223  -8.754  -10.964 1.00 14.74 ? 120 ARG   A CA     1 
ATOM   1380 C C      . ARG   A 1 103 ? -6.147  -9.807  -11.178 1.00 15.22 ? 120 ARG   A C      1 
ATOM   1381 O O      . ARG   A 1 103 ? -6.204  -10.881 -10.554 1.00 15.45 ? 120 ARG   A O      1 
ATOM   1382 C CB     . ARG   A 1 103 ? -7.568  -8.648  -9.476  1.00 15.13 ? 120 ARG   A CB     1 
ATOM   1383 C CG     . ARG   A 1 103 ? -8.677  -7.668  -9.185  1.00 16.25 ? 120 ARG   A CG     1 
ATOM   1384 C CD     . ARG   A 1 103 ? -8.775  -7.269  -7.746  1.00 17.92 ? 120 ARG   A CD     1 
ATOM   1385 N NE     . ARG   A 1 103 ? -8.621  -8.378  -6.814  1.00 16.93 ? 120 ARG   A NE     1 
ATOM   1386 C CZ     . ARG   A 1 103 ? -9.527  -9.313  -6.549  1.00 15.05 ? 120 ARG   A CZ     1 
ATOM   1387 N NH1    . ARG   A 1 103 ? -10.712 -9.317  -7.130  1.00 13.75 ? 120 ARG   A NH1    1 
ATOM   1388 N NH2    . ARG   A 1 103 ? -9.238  -10.244 -5.648  1.00 15.96 ? 120 ARG   A NH2    1 
ATOM   1389 H H      . ARG   A 1 103 ? -8.876  -9.720  -11.402 1.00 16.39 ? 120 ARG   A H      1 
ATOM   1390 H HA     . ARG   A 1 103 ? -6.861  -7.914  -11.287 1.00 17.69 ? 120 ARG   A HA     1 
ATOM   1391 H HB2    . ARG   A 1 103 ? -7.849  -9.519  -9.156  1.00 18.16 ? 120 ARG   A HB2    1 
ATOM   1392 H HB3    . ARG   A 1 103 ? -6.779  -8.356  -8.992  1.00 18.16 ? 120 ARG   A HB3    1 
ATOM   1393 H HG2    . ARG   A 1 103 ? -8.526  -6.862  -9.704  1.00 19.50 ? 120 ARG   A HG2    1 
ATOM   1394 H HG3    . ARG   A 1 103 ? -9.523  -8.071  -9.437  1.00 19.50 ? 120 ARG   A HG3    1 
ATOM   1395 H HD2    . ARG   A 1 103 ? -8.078  -6.622  -7.553  1.00 21.51 ? 120 ARG   A HD2    1 
ATOM   1396 H HD3    . ARG   A 1 103 ? -9.647  -6.872  -7.590  1.00 21.51 ? 120 ARG   A HD3    1 
ATOM   1397 H HE     . ARG   A 1 103 ? -7.871  -8.433  -6.396  1.00 20.31 ? 120 ARG   A HE     1 
ATOM   1398 H HH11   . ARG   A 1 103 ? -10.915 -8.703  -7.697  1.00 16.50 ? 120 ARG   A HH11   1 
ATOM   1399 H HH12   . ARG   A 1 103 ? -11.282 -9.933  -6.941  1.00 16.50 ? 120 ARG   A HH12   1 
ATOM   1400 H HH21   . ARG   A 1 103 ? -8.476  -10.234 -5.249  1.00 19.15 ? 120 ARG   A HH21   1 
ATOM   1401 H HH22   . ARG   A 1 103 ? -9.812  -10.857 -5.464  1.00 19.15 ? 120 ARG   A HH22   1 
ATOM   1402 N N      . PRO   A 1 104 ? -5.147  -9.550  -12.026 1.00 16.34 ? 121 PRO   A N      1 
ATOM   1403 C CA     . PRO   A 1 104 ? -4.075  -10.533 -12.207 1.00 17.05 ? 121 PRO   A CA     1 
ATOM   1404 C C      . PRO   A 1 104 ? -3.276  -10.818 -10.958 1.00 18.46 ? 121 PRO   A C      1 
ATOM   1405 O O      . PRO   A 1 104 ? -2.672  -11.894 -10.861 1.00 20.60 ? 121 PRO   A O      1 
ATOM   1406 C CB     . PRO   A 1 104 ? -3.189  -9.937  -13.307 1.00 20.90 ? 121 PRO   A CB     1 
ATOM   1407 C CG     . PRO   A 1 104 ? -3.921  -8.756  -13.852 1.00 24.99 ? 121 PRO   A CG     1 
ATOM   1408 C CD     . PRO   A 1 104 ? -5.014  -8.380  -12.906 1.00 16.96 ? 121 PRO   A CD     1 
ATOM   1409 H HA     . PRO   A 1 104 ? -4.471  -11.357 -12.533 1.00 20.46 ? 121 PRO   A HA     1 
ATOM   1410 H HB2    . PRO   A 1 104 ? -2.340  -9.665  -12.925 1.00 25.08 ? 121 PRO   A HB2    1 
ATOM   1411 H HB3    . PRO   A 1 104 ? -3.045  -10.599 -14.001 1.00 25.08 ? 121 PRO   A HB3    1 
ATOM   1412 H HG2    . PRO   A 1 104 ? -3.298  -8.019  -13.950 1.00 29.99 ? 121 PRO   A HG2    1 
ATOM   1413 H HG3    . PRO   A 1 104 ? -4.296  -8.991  -14.715 1.00 29.99 ? 121 PRO   A HG3    1 
ATOM   1414 H HD2    . PRO   A 1 104 ? -4.768  -7.594  -12.394 1.00 20.35 ? 121 PRO   A HD2    1 
ATOM   1415 H HD3    . PRO   A 1 104 ? -5.841  -8.218  -13.386 1.00 20.35 ? 121 PRO   A HD3    1 
ATOM   1416 N N      . GLN   A 1 105 ? -3.210  -9.888  -10.007 1.00 17.92 ? 122 GLN   A N      1 
ATOM   1417 C CA     . GLN   A 1 105 ? -2.465  -10.134 -8.778  1.00 19.97 ? 122 GLN   A CA     1 
ATOM   1418 C C      . GLN   A 1 105 ? -3.086  -11.256 -7.953  1.00 20.64 ? 122 GLN   A C      1 
ATOM   1419 O O      . GLN   A 1 105 ? -2.424  -11.740 -7.026  1.00 24.31 ? 122 GLN   A O      1 
ATOM   1420 C CB     . GLN   A 1 105 ? -2.366  -8.823  -7.997  1.00 21.54 ? 122 GLN   A CB     1 
ATOM   1421 C CG     . GLN   A 1 105 ? -1.422  -7.836  -8.640  1.00 23.48 ? 122 GLN   A CG     1 
ATOM   1422 C CD     . GLN   A 1 105 ? -1.262  -6.540  -7.852  1.00 26.53 ? 122 GLN   A CD     1 
ATOM   1423 O OE1    . GLN   A 1 105 ? -1.995  -6.278  -6.894  1.00 29.31 ? 122 GLN   A OE1    1 
ATOM   1424 N NE2    . GLN   A 1 105 ? -0.254  -5.749  -8.217  1.00 32.22 ? 122 GLN   A NE2    1 
ATOM   1425 H H      . GLN   A 1 105 ? -3.584  -9.115  -10.050 1.00 21.50 ? 122 GLN   A H      1 
ATOM   1426 H HA     . GLN   A 1 105 ? -1.556  -10.413 -8.970  1.00 23.96 ? 122 GLN   A HA     1 
ATOM   1427 H HB2    . GLN   A 1 105 ? -3.245  -8.415  -7.952  1.00 25.85 ? 122 GLN   A HB2    1 
ATOM   1428 H HB3    . GLN   A 1 105 ? -2.042  -9.012  -7.103  1.00 25.85 ? 122 GLN   A HB3    1 
ATOM   1429 H HG2    . GLN   A 1 105 ? -0.547  -8.245  -8.718  1.00 28.18 ? 122 GLN   A HG2    1 
ATOM   1430 H HG3    . GLN   A 1 105 ? -1.761  -7.607  -9.520  1.00 28.18 ? 122 GLN   A HG3    1 
ATOM   1431 H HE21   . GLN   A 1 105 ? 0.262   -5.981  -8.864  1.00 38.66 ? 122 GLN   A HE21   1 
ATOM   1432 H HE22   . GLN   A 1 105 ? -0.120  -5.006  -7.805  1.00 38.66 ? 122 GLN   A HE22   1 
ATOM   1433 N N      . SER   A 1 106 ? -4.309  -11.692 -8.291  1.00 19.78 ? 123 SER   A N      1 
ATOM   1434 C CA     . SER   A 1 106 ? -4.907  -12.871 -7.673  1.00 20.14 ? 123 SER   A CA     1 
ATOM   1435 C C      . SER   A 1 106 ? -4.105  -14.144 -7.926  1.00 19.79 ? 123 SER   A C      1 
ATOM   1436 O O      . SER   A 1 106 ? -4.278  -15.129 -7.191  1.00 22.84 ? 123 SER   A O      1 
ATOM   1437 C CB     . SER   A 1 106 ? -6.329  -13.083 -8.218  1.00 19.23 ? 123 SER   A CB     1 
ATOM   1438 O OG     . SER   A 1 106 ? -6.287  -13.510 -9.571  1.00 17.82 ? 123 SER   A OG     1 
ATOM   1439 H H      . SER   A 1 106 ? -4.811  -11.317 -8.879  1.00 23.74 ? 123 SER   A H      1 
ATOM   1440 H HA     . SER   A 1 106 ? -4.947  -12.715 -6.716  1.00 24.17 ? 123 SER   A HA     1 
ATOM   1441 H HB2    . SER   A 1 106 ? -6.775  -13.761 -7.686  1.00 23.08 ? 123 SER   A HB2    1 
ATOM   1442 H HB3    . SER   A 1 106 ? -6.817  -12.246 -8.166  1.00 23.08 ? 123 SER   A HB3    1 
ATOM   1443 H HG     . SER   A 1 106 ? -5.905  -12.930 -10.044 1.00 21.38 ? 123 SER   A HG     1 
ATOM   1444 N N      . GLY   A 1 107 ? -3.260  -14.162 -8.956  1.00 20.59 ? 124 GLY   A N      1 
ATOM   1445 C CA     . GLY   A 1 107 ? -2.532  -15.346 -9.354  1.00 23.73 ? 124 GLY   A CA     1 
ATOM   1446 C C      . GLY   A 1 107 ? -3.273  -16.253 -10.307 1.00 25.14 ? 124 GLY   A C      1 
ATOM   1447 O O      . GLY   A 1 107 ? -2.701  -17.255 -10.759 1.00 28.08 ? 124 GLY   A O      1 
ATOM   1448 H H      . GLY   A 1 107 ? -3.092  -13.478 -9.449  1.00 24.71 ? 124 GLY   A H      1 
ATOM   1449 H HA2    . GLY   A 1 107 ? -1.707  -15.074 -9.786  1.00 28.48 ? 124 GLY   A HA2    1 
ATOM   1450 H HA3    . GLY   A 1 107 ? -2.318  -15.861 -8.561  1.00 28.48 ? 124 GLY   A HA3    1 
ATOM   1451 N N      . ARG   A 1 108 ? -4.509  -15.936 -10.630 1.00 22.72 ? 125 ARG   A N      1 
ATOM   1452 C CA     . ARG   A 1 108 ? -5.290  -16.735 -11.552 1.00 23.56 ? 125 ARG   A CA     1 
ATOM   1453 C C      . ARG   A 1 108 ? -5.061  -16.273 -12.977 1.00 21.99 ? 125 ARG   A C      1 
ATOM   1454 O O      . ARG   A 1 108 ? -4.647  -15.139 -13.226 1.00 21.64 ? 125 ARG   A O      1 
ATOM   1455 C CB     . ARG   A 1 108 ? -6.774  -16.585 -11.239 1.00 24.51 ? 125 ARG   A CB     1 
ATOM   1456 C CG     . ARG   A 1 108 ? -7.131  -17.026 -9.850  1.00 27.50 ? 125 ARG   A CG     1 
ATOM   1457 C CD     . ARG   A 1 108 ? -8.621  -17.234 -9.710  1.00 21.49 ? 125 ARG   A CD     1 
ATOM   1458 N NE     . ARG   A 1 108 ? -8.982  -17.541 -8.333  1.00 23.26 ? 125 ARG   A NE     1 
ATOM   1459 C CZ     . ARG   A 1 108 ? -9.260  -18.749 -7.867  1.00 23.18 ? 125 ARG   A CZ     1 
ATOM   1460 N NH1    . ARG   A 1 108 ? -9.227  -19.819 -8.646  1.00 27.40 ? 125 ARG   A NH1    1 
ATOM   1461 N NH2    . ARG   A 1 108 ? -9.587  -18.887 -6.588  1.00 30.20 ? 125 ARG   A NH2    1 
ATOM   1462 H H      . ARG   A 1 108 ? -4.927  -15.250 -10.323 1.00 27.27 ? 125 ARG   A H      1 
ATOM   1463 H HA     . ARG   A 1 108 ? -5.028  -17.665 -11.468 1.00 28.28 ? 125 ARG   A HA     1 
ATOM   1464 H HB2    . ARG   A 1 108 ? -7.021  -15.652 -11.329 1.00 29.42 ? 125 ARG   A HB2    1 
ATOM   1465 H HB3    . ARG   A 1 108 ? -7.283  -17.125 -11.864 1.00 29.42 ? 125 ARG   A HB3    1 
ATOM   1466 H HG2    . ARG   A 1 108 ? -6.685  -17.865 -9.653  1.00 33.00 ? 125 ARG   A HG2    1 
ATOM   1467 H HG3    . ARG   A 1 108 ? -6.856  -16.347 -9.215  1.00 33.00 ? 125 ARG   A HG3    1 
ATOM   1468 H HD2    . ARG   A 1 108 ? -9.086  -16.424 -9.976  1.00 25.79 ? 125 ARG   A HD2    1 
ATOM   1469 H HD3    . ARG   A 1 108 ? -8.897  -17.974 -10.272 1.00 25.79 ? 125 ARG   A HD3    1 
ATOM   1470 H HE     . ARG   A 1 108 ? -9.017  -16.886 -7.777  1.00 27.91 ? 125 ARG   A HE     1 
ATOM   1471 H HH11   . ARG   A 1 108 ? -9.022  -19.740 -9.477  1.00 32.88 ? 125 ARG   A HH11   1 
ATOM   1472 H HH12   . ARG   A 1 108 ? -9.412  -20.593 -8.320  1.00 32.88 ? 125 ARG   A HH12   1 
ATOM   1473 H HH21   . ARG   A 1 108 ? -9.616  -18.197 -6.074  1.00 36.24 ? 125 ARG   A HH21   1 
ATOM   1474 H HH22   . ARG   A 1 108 ? -9.770  -19.666 -6.272  1.00 36.24 ? 125 ARG   A HH22   1 
ATOM   1475 N N      . VAL   A 1 109 ? -5.376  -17.158 -13.917 1.00 22.06 ? 126 VAL   A N      1 
ATOM   1476 C CA     . VAL   A 1 109 ? -5.463  -16.817 -15.328 1.00 21.39 ? 126 VAL   A CA     1 
ATOM   1477 C C      . VAL   A 1 109 ? -6.936  -16.735 -15.686 1.00 16.57 ? 126 VAL   A C      1 
ATOM   1478 O O      . VAL   A 1 109 ? -7.681  -17.706 -15.514 1.00 18.79 ? 126 VAL   A O      1 
ATOM   1479 C CB     . VAL   A 1 109 ? -4.754  -17.869 -16.192 1.00 23.47 ? 126 VAL   A CB     1 
ATOM   1480 C CG1    . VAL   A 1 109 ? -4.711  -17.403 -17.630 1.00 25.21 ? 126 VAL   A CG1    1 
ATOM   1481 C CG2    . VAL   A 1 109 ? -3.354  -18.110 -15.658 1.00 28.06 ? 126 VAL   A CG2    1 
ATOM   1482 H H      . VAL   A 1 109 ? -5.548  -17.985 -13.755 1.00 26.47 ? 126 VAL   A H      1 
ATOM   1483 H HA     . VAL   A 1 109 ? -5.050  -15.954 -15.485 1.00 25.66 ? 126 VAL   A HA     1 
ATOM   1484 H HB     . VAL   A 1 109 ? -5.241  -18.708 -16.159 1.00 28.16 ? 126 VAL   A HB     1 
ATOM   1485 H HG11   . VAL   A 1 109 ? -4.167  -18.020 -18.145 1.00 30.25 ? 126 VAL   A HG11   1 
ATOM   1486 H HG12   . VAL   A 1 109 ? -5.614  -17.385 -17.984 1.00 30.25 ? 126 VAL   A HG12   1 
ATOM   1487 H HG13   . VAL   A 1 109 ? -4.324  -16.514 -17.663 1.00 30.25 ? 126 VAL   A HG13   1 
ATOM   1488 H HG21   . VAL   A 1 109 ? -2.863  -18.653 -16.295 1.00 33.67 ? 126 VAL   A HG21   1 
ATOM   1489 H HG22   . VAL   A 1 109 ? -2.910  -17.256 -15.540 1.00 33.67 ? 126 VAL   A HG22   1 
ATOM   1490 H HG23   . VAL   A 1 109 ? -3.416  -18.572 -14.808 1.00 33.67 ? 126 VAL   A HG23   1 
ATOM   1491 N N      . LEU   A 1 110 ? -7.375  -15.590 -16.184 1.00 16.21 ? 127 LEU   A N      1 
ATOM   1492 C CA     . LEU   A 1 110 ? -8.778  -15.416 -16.520 1.00 15.97 ? 127 LEU   A CA     1 
ATOM   1493 C C      . LEU   A 1 110 ? -9.194  -16.348 -17.651 1.00 13.93 ? 127 LEU   A C      1 
ATOM   1494 O O      . LEU   A 1 110 ? -8.504  -16.460 -18.665 1.00 15.21 ? 127 LEU   A O      1 
ATOM   1495 C CB     . LEU   A 1 110 ? -9.035  -13.962 -16.933 1.00 15.23 ? 127 LEU   A CB     1 
ATOM   1496 C CG     . LEU   A 1 110 ? -10.449 -13.641 -17.416 1.00 14.28 ? 127 LEU   A CG     1 
ATOM   1497 C CD1    . LEU   A 1 110 ? -11.469 -13.905 -16.323 1.00 14.82 ? 127 LEU   A CD1    1 
ATOM   1498 C CD2    . LEU   A 1 110 ? -10.555 -12.193 -17.867 1.00 17.10 ? 127 LEU   A CD2    1 
ATOM   1499 H H      . LEU   A 1 110 ? -6.884  -14.900 -16.336 1.00 19.46 ? 127 LEU   A H      1 
ATOM   1500 H HA     . LEU   A 1 110 ? -9.314  -15.628 -15.739 1.00 19.17 ? 127 LEU   A HA     1 
ATOM   1501 H HB2    . LEU   A 1 110 ? -8.858  -13.394 -16.167 1.00 18.27 ? 127 LEU   A HB2    1 
ATOM   1502 H HB3    . LEU   A 1 110 ? -8.428  -13.742 -17.657 1.00 18.27 ? 127 LEU   A HB3    1 
ATOM   1503 H HG     . LEU   A 1 110 ? -10.646 -14.216 -18.172 1.00 17.13 ? 127 LEU   A HG     1 
ATOM   1504 H HD11   . LEU   A 1 110 ? -12.344 -13.621 -16.632 1.00 17.79 ? 127 LEU   A HD11   1 
ATOM   1505 H HD12   . LEU   A 1 110 ? -11.481 -14.855 -16.125 1.00 17.79 ? 127 LEU   A HD12   1 
ATOM   1506 H HD13   . LEU   A 1 110 ? -11.220 -13.406 -15.530 1.00 17.79 ? 127 LEU   A HD13   1 
ATOM   1507 H HD21   . LEU   A 1 110 ? -11.465 -12.017 -18.154 1.00 20.52 ? 127 LEU   A HD21   1 
ATOM   1508 H HD22   . LEU   A 1 110 ? -10.325 -11.613 -17.125 1.00 20.52 ? 127 LEU   A HD22   1 
ATOM   1509 H HD23   . LEU   A 1 110 ? -9.942  -12.046 -18.604 1.00 20.52 ? 127 LEU   A HD23   1 
ATOM   1510 N N      . SER   A 1 111 ? -10.349 -16.986 -17.481 1.00 14.07 ? 128 SER   A N      1 
ATOM   1511 C CA     . SER   A 1 111 ? -11.001 -17.787 -18.503 1.00 12.93 ? 128 SER   A CA     1 
ATOM   1512 C C      . SER   A 1 111 ? -10.811 -17.241 -19.901 1.00 13.71 ? 128 SER   A C      1 
ATOM   1513 O O      . SER   A 1 111 ? -11.106 -16.072 -20.166 1.00 14.65 ? 128 SER   A O      1 
ATOM   1514 C CB     . SER   A 1 111 ? -12.507 -17.773 -18.212 1.00 13.25 ? 128 SER   A CB     1 
ATOM   1515 O OG     . SER   A 1 111 ? -13.186 -18.582 -19.147 1.00 13.82 ? 128 SER   A OG     1 
ATOM   1516 H H      . SER   A 1 111 ? -10.794 -16.968 -16.745 1.00 16.89 ? 128 SER   A H      1 
ATOM   1517 H HA     . SER   A 1 111 ? -10.619 -18.678 -18.479 1.00 15.52 ? 128 SER   A HA     1 
ATOM   1518 H HB2    . SER   A 1 111 ? -12.663 -18.118 -17.319 1.00 15.90 ? 128 SER   A HB2    1 
ATOM   1519 H HB3    . SER   A 1 111 ? -12.837 -16.863 -18.279 1.00 15.90 ? 128 SER   A HB3    1 
ATOM   1520 H HG     . SER   A 1 111 ? -12.943 -19.381 -19.065 1.00 16.59 ? 128 SER   A HG     1 
ATOM   1521 N N      . ALA   A 1 112 ? -10.436 -18.121 -20.826 1.00 14.94 ? 129 ALA   A N      1 
ATOM   1522 C CA     . ALA   A 1 112 ? -10.350 -17.716 -22.225 1.00 16.52 ? 129 ALA   A CA     1 
ATOM   1523 C C      . ALA   A 1 112 ? -11.712 -17.295 -22.763 1.00 15.22 ? 129 ALA   A C      1 
ATOM   1524 O O      . ALA   A 1 112 ? -11.781 -16.500 -23.712 1.00 17.37 ? 129 ALA   A O      1 
ATOM   1525 C CB     . ALA   A 1 112 ? -9.763  -18.851 -23.066 1.00 18.84 ? 129 ALA   A CB     1 
ATOM   1526 H H      . ALA   A 1 112 ? -10.229 -18.942 -20.673 1.00 17.93 ? 129 ALA   A H      1 
ATOM   1527 H HA     . ALA   A 1 112 ? -9.751  -16.957 -22.299 1.00 19.82 ? 129 ALA   A HA     1 
ATOM   1528 H HB1    . ALA   A 1 112 ? -9.709  -18.563 -23.991 1.00 22.61 ? 129 ALA   A HB1    1 
ATOM   1529 H HB2    . ALA   A 1 112 ? -8.877  -19.064 -22.733 1.00 22.61 ? 129 ALA   A HB2    1 
ATOM   1530 H HB3    . ALA   A 1 112 ? -10.339 -19.628 -22.994 1.00 22.61 ? 129 ALA   A HB3    1 
ATOM   1531 N N      . MET   A 1 113 ? -12.800 -17.837 -22.208 1.00 15.76 ? 130 MET   A N      1 
ATOM   1532 C CA     . MET   A 1 113 ? -14.122 -17.506 -22.730 1.00 15.28 ? 130 MET   A CA     1 
ATOM   1533 C C      . MET   A 1 113 ? -14.495 -16.062 -22.430 1.00 15.72 ? 130 MET   A C      1 
ATOM   1534 O O      . MET   A 1 113 ? -15.272 -15.454 -23.186 1.00 18.94 ? 130 MET   A O      1 
ATOM   1535 C CB     . MET   A 1 113 ? -15.185 -18.424 -22.152 1.00 15.07 ? 130 MET   A CB     1 
ATOM   1536 C CG     . MET   A 1 113 ? -14.914 -19.883 -22.415 1.00 16.67 ? 130 MET   A CG     1 
ATOM   1537 S SD     . MET   A 1 113 ? -14.471 -20.300 -24.136 1.00 20.02 ? 130 MET   A SD     1 
ATOM   1538 C CE     . MET   A 1 113 ? -16.049 -20.004 -24.910 1.00 22.49 ? 130 MET   A CE     1 
ATOM   1539 H H      . MET   A 1 113 ? -12.797 -18.384 -21.544 1.00 18.91 ? 130 MET   A H      1 
ATOM   1540 H HA     . MET   A 1 113 ? -14.097 -17.647 -23.689 1.00 18.33 ? 130 MET   A HA     1 
ATOM   1541 H HB2    . MET   A 1 113 ? -15.222 -18.295 -21.192 1.00 18.09 ? 130 MET   A HB2    1 
ATOM   1542 H HB3    . MET   A 1 113 ? -16.041 -18.202 -22.550 1.00 18.09 ? 130 MET   A HB3    1 
ATOM   1543 H HG2    . MET   A 1 113 ? -14.176 -20.163 -21.851 1.00 20.01 ? 130 MET   A HG2    1 
ATOM   1544 H HG3    . MET   A 1 113 ? -15.712 -20.387 -22.191 1.00 20.01 ? 130 MET   A HG3    1 
ATOM   1545 H HE1    . MET   A 1 113 ? -15.971 -20.175 -25.861 1.00 26.99 ? 130 MET   A HE1    1 
ATOM   1546 H HE2    . MET   A 1 113 ? -16.708 -20.598 -24.519 1.00 26.99 ? 130 MET   A HE2    1 
ATOM   1547 H HE3    . MET   A 1 113 ? -16.306 -19.080 -24.759 1.00 26.99 ? 130 MET   A HE3    1 
ATOM   1548 N N      . ILE   A 1 114 ? -13.972 -15.509 -21.346 1.00 13.98 ? 131 ILE   A N      1 
ATOM   1549 C CA     . ILE   A 1 114 ? -14.252 -14.127 -20.975 1.00 15.13 ? 131 ILE   A CA     1 
ATOM   1550 C C      . ILE   A 1 114 ? -13.239 -13.197 -21.614 1.00 15.12 ? 131 ILE   A C      1 
ATOM   1551 O O      . ILE   A 1 114 ? -13.604 -12.219 -22.274 1.00 17.07 ? 131 ILE   A O      1 
ATOM   1552 C CB     . ILE   A 1 114 ? -14.294 -13.970 -19.436 1.00 13.77 ? 131 ILE   A CB     1 
ATOM   1553 C CG1    . ILE   A 1 114 ? -15.305 -14.945 -18.811 1.00 14.83 ? 131 ILE   A CG1    1 
ATOM   1554 C CG2    . ILE   A 1 114 ? -14.572 -12.510 -19.061 1.00 14.91 ? 131 ILE   A CG2    1 
ATOM   1555 C CD1    . ILE   A 1 114 ? -16.710 -14.858 -19.363 1.00 14.28 ? 131 ILE   A CD1    1 
ATOM   1556 H H      . ILE   A 1 114 ? -13.445 -15.916 -20.801 1.00 16.78 ? 131 ILE   A H      1 
ATOM   1557 H HA     . ILE   A 1 114 ? -15.134 -13.887 -21.300 1.00 18.16 ? 131 ILE   A HA     1 
ATOM   1558 H HB     . ILE   A 1 114 ? -13.426 -14.203 -19.071 1.00 16.52 ? 131 ILE   A HB     1 
ATOM   1559 H HG12   . ILE   A 1 114 ? -14.990 -15.850 -18.962 1.00 17.80 ? 131 ILE   A HG12   1 
ATOM   1560 H HG13   . ILE   A 1 114 ? -15.355 -14.765 -17.859 1.00 17.80 ? 131 ILE   A HG13   1 
ATOM   1561 H HG21   . ILE   A 1 114 ? -14.788 -12.462 -18.117 1.00 17.89 ? 131 ILE   A HG21   1 
ATOM   1562 H HG22   . ILE   A 1 114 ? -13.781 -11.980 -19.247 1.00 17.89 ? 131 ILE   A HG22   1 
ATOM   1563 H HG23   . ILE   A 1 114 ? -15.319 -12.185 -19.588 1.00 17.89 ? 131 ILE   A HG23   1 
ATOM   1564 H HD11   . ILE   A 1 114 ? -17.297 -15.405 -18.818 1.00 17.13 ? 131 ILE   A HD11   1 
ATOM   1565 H HD12   . ILE   A 1 114 ? -17.002 -13.933 -19.339 1.00 17.13 ? 131 ILE   A HD12   1 
ATOM   1566 H HD13   . ILE   A 1 114 ? -16.711 -15.181 -20.277 1.00 17.13 ? 131 ILE   A HD13   1 
ATOM   1567 N N      . ARG   A 1 115 ? -11.944 -13.519 -21.481 1.00 16.66 ? 132 ARG   A N      1 
ATOM   1568 C CA     . ARG   A 1 115 ? -10.892 -12.745 -22.127 1.00 18.71 ? 132 ARG   A CA     1 
ATOM   1569 C C      . ARG   A 1 115 ? -11.129 -12.691 -23.625 1.00 18.14 ? 132 ARG   A C      1 
ATOM   1570 O O      . ARG   A 1 115 ? -11.025 -11.624 -24.236 1.00 20.71 ? 132 ARG   A O      1 
ATOM   1571 C CB     . ARG   A 1 115 ? -9.545  -13.394 -21.796 1.00 20.23 ? 132 ARG   A CB     1 
ATOM   1572 C CG     . ARG   A 1 115 ? -8.323  -12.760 -22.371 1.00 26.00 ? 132 ARG   A CG     1 
ATOM   1573 C CD     . ARG   A 1 115 ? -7.986  -11.541 -21.587 1.00 24.12 ? 132 ARG   A CD     1 
ATOM   1574 N NE     . ARG   A 1 115 ? -7.426  -11.807 -20.260 1.00 21.87 ? 132 ARG   A NE     1 
ATOM   1575 C CZ     . ARG   A 1 115 ? -7.205  -10.841 -19.374 1.00 20.33 ? 132 ARG   A CZ     1 
ATOM   1576 N NH1    . ARG   A 1 115 ? -7.524  -9.588  -19.640 1.00 26.62 ? 132 ARG   A NH1    1 
ATOM   1577 N NH2    . ARG   A 1 115 ? -6.674  -11.140 -18.190 1.00 19.98 ? 132 ARG   A NH2    1 
ATOM   1578 H H      . ARG   A 1 115 ? -11.653 -14.184 -21.020 1.00 19.99 ? 132 ARG   A H      1 
ATOM   1579 H HA     . ARG   A 1 115 ? -10.880 -11.833 -21.798 1.00 22.45 ? 132 ARG   A HA     1 
ATOM   1580 H HB2    . ARG   A 1 115 ? -9.438  -13.385 -20.832 1.00 24.27 ? 132 ARG   A HB2    1 
ATOM   1581 H HB3    . ARG   A 1 115 ? -9.566  -14.308 -22.119 1.00 24.27 ? 132 ARG   A HB3    1 
ATOM   1582 H HG2    . ARG   A 1 115 ? -7.578  -13.380 -22.325 1.00 31.20 ? 132 ARG   A HG2    1 
ATOM   1583 H HG3    . ARG   A 1 115 ? -8.487  -12.506 -23.293 1.00 31.20 ? 132 ARG   A HG3    1 
ATOM   1584 H HD2    . ARG   A 1 115 ? -7.330  -11.026 -22.083 1.00 28.95 ? 132 ARG   A HD2    1 
ATOM   1585 H HD3    . ARG   A 1 115 ? -8.793  -11.018 -21.464 1.00 28.95 ? 132 ARG   A HD3    1 
ATOM   1586 H HE     . ARG   A 1 115 ? -7.233  -12.617 -20.046 1.00 26.24 ? 132 ARG   A HE     1 
ATOM   1587 H HH11   . ARG   A 1 115 ? -7.879  -9.386  -20.397 1.00 31.95 ? 132 ARG   A HH11   1 
ATOM   1588 H HH12   . ARG   A 1 115 ? -7.375  -8.973  -19.057 1.00 31.95 ? 132 ARG   A HH12   1 
ATOM   1589 H HH21   . ARG   A 1 115 ? -6.476  -11.955 -18.001 1.00 23.98 ? 132 ARG   A HH21   1 
ATOM   1590 H HH22   . ARG   A 1 115 ? -6.530  -10.518 -17.614 1.00 23.98 ? 132 ARG   A HH22   1 
ATOM   1591 N N      . GLY   A 1 116 ? -11.483 -13.823 -24.233 1.00 18.86 ? 133 GLY   A N      1 
ATOM   1592 C CA     . GLY   A 1 116 ? -11.709 -13.908 -25.658 1.00 19.97 ? 133 GLY   A CA     1 
ATOM   1593 C C      . GLY   A 1 116 ? -13.032 -13.370 -26.156 1.00 20.00 ? 133 GLY   A C      1 
ATOM   1594 O O      . GLY   A 1 116 ? -13.185 -13.162 -27.360 1.00 20.58 ? 133 GLY   A O      1 
ATOM   1595 H H      . GLY   A 1 116 ? -11.600 -14.570 -23.825 1.00 22.64 ? 133 GLY   A H      1 
ATOM   1596 H HA2    . GLY   A 1 116 ? -11.007 -13.415 -26.109 1.00 23.97 ? 133 GLY   A HA2    1 
ATOM   1597 H HA3    . GLY   A 1 116 ? -11.658 -14.841 -25.920 1.00 23.97 ? 133 GLY   A HA3    1 
ATOM   1598 N N      . ALA   A 1 117 ? -13.999 -13.140 -25.266 1.00 18.76 ? 134 ALA   A N      1 
ATOM   1599 C CA     . ALA   A 1 117 ? -15.256 -12.537 -25.680 1.00 21.10 ? 134 ALA   A CA     1 
ATOM   1600 C C      . ALA   A 1 117 ? -15.137 -11.036 -25.891 1.00 20.77 ? 134 ALA   A C      1 
ATOM   1601 O O      . ALA   A 1 117 ? -16.012 -10.447 -26.533 1.00 21.79 ? 134 ALA   A O      1 
ATOM   1602 C CB     . ALA   A 1 117 ? -16.343 -12.801 -24.637 1.00 20.68 ? 134 ALA   A CB     1 
ATOM   1603 H H      . ALA   A 1 117 ? -13.948 -13.323 -24.428 1.00 22.51 ? 134 ALA   A H      1 
ATOM   1604 H HA     . ALA   A 1 117 ? -15.532 -12.949 -26.514 1.00 25.32 ? 134 ALA   A HA     1 
ATOM   1605 H HB1    . ALA   A 1 117 ? -17.167 -12.376 -24.925 1.00 24.81 ? 134 ALA   A HB1    1 
ATOM   1606 H HB2    . ALA   A 1 117 ? -16.476 -13.758 -24.555 1.00 24.81 ? 134 ALA   A HB2    1 
ATOM   1607 H HB3    . ALA   A 1 117 ? -16.061 -12.431 -23.786 1.00 24.81 ? 134 ALA   A HB3    1 
ATOM   1608 N N      . ALA   A 1 118 ? -14.056 -10.424 -25.419 1.00 20.84 ? 135 ALA   A N      1 
ATOM   1609 C CA     . ALA   A 1 118 ? -13.919 -8.979  -25.487 1.00 24.13 ? 135 ALA   A CA     1 
ATOM   1610 C C      . ALA   A 1 118 ? -13.724 -8.541  -26.927 1.00 24.21 ? 135 ALA   A C      1 
ATOM   1611 O O      . ALA   A 1 118 ? -12.960 -9.145  -27.691 1.00 28.08 ? 135 ALA   A O      1 
ATOM   1612 C CB     . ALA   A 1 118 ? -12.715 -8.517  -24.659 1.00 26.31 ? 135 ALA   A CB     1 
ATOM   1613 H H      . ALA   A 1 118 ? -13.389 -10.825 -25.055 1.00 25.01 ? 135 ALA   A H      1 
ATOM   1614 H HA     . ALA   A 1 118 ? -14.720 -8.565  -25.129 1.00 28.96 ? 135 ALA   A HA     1 
ATOM   1615 H HB1    . ALA   A 1 118 ? -12.656 -7.549  -24.701 1.00 31.57 ? 135 ALA   A HB1    1 
ATOM   1616 H HB2    . ALA   A 1 118 ? -12.836 -8.802  -23.740 1.00 31.57 ? 135 ALA   A HB2    1 
ATOM   1617 H HB3    . ALA   A 1 118 ? -11.909 -8.913  -25.026 1.00 31.57 ? 135 ALA   A HB3    1 
ATOM   1618 N N      . ASP   A 1 119 ? -14.434 -7.483  -27.305 1.00 24.96 ? 136 ASP   A N      1 
ATOM   1619 C CA     . ASP   A 1 119 ? -14.233 -6.831  -28.591 1.00 25.14 ? 136 ASP   A CA     1 
ATOM   1620 C C      . ASP   A 1 119 ? -13.752 -5.394  -28.430 1.00 29.49 ? 136 ASP   A C      1 
ATOM   1621 O O      . ASP   A 1 119 ? -13.705 -4.649  -29.423 1.00 32.18 ? 136 ASP   A O      1 
ATOM   1622 C CB     . ASP   A 1 119 ? -15.518 -6.909  -29.417 1.00 26.98 ? 136 ASP   A CB     1 
ATOM   1623 C CG     . ASP   A 1 119 ? -16.682 -6.188  -28.767 1.00 32.73 ? 136 ASP   A CG     1 
ATOM   1624 O OD1    . ASP   A 1 119 ? -16.460 -5.323  -27.886 1.00 28.80 ? 136 ASP   A OD1    1 
ATOM   1625 O OD2    . ASP   A 1 119 ? -17.835 -6.482  -29.145 1.00 38.09 ? 136 ASP   A OD2    1 
ATOM   1626 H H      . ASP   A 1 119 ? -15.048 -7.120  -26.825 1.00 29.95 ? 136 ASP   A H      1 
ATOM   1627 H HA     . ASP   A 1 119 ? -13.548 -7.298  -29.095 1.00 30.17 ? 136 ASP   A HA     1 
ATOM   1628 H HB2    . ASP   A 1 119 ? -15.361 -6.503  -30.284 1.00 32.38 ? 136 ASP   A HB2    1 
ATOM   1629 H HB3    . ASP   A 1 119 ? -15.766 -7.840  -29.527 1.00 32.38 ? 136 ASP   A HB3    1 
ATOM   1630 N N      . GLY   A 1 120 ? -13.381 -4.992  -27.205 1.00 28.47 ? 137 GLY   A N      1 
ATOM   1631 C CA     . GLY   A 1 120 ? -12.777 -3.702  -26.954 1.00 32.57 ? 137 GLY   A CA     1 
ATOM   1632 C C      . GLY   A 1 120 ? -13.717 -2.522  -26.959 1.00 34.27 ? 137 GLY   A C      1 
ATOM   1633 O O      . GLY   A 1 120 ? -13.264 -1.399  -26.712 1.00 37.38 ? 137 GLY   A O      1 
ATOM   1634 H H      . GLY   A 1 120 ? -13.476 -5.469  -26.495 1.00 34.17 ? 137 GLY   A H      1 
ATOM   1635 H HA2    . GLY   A 1 120 ? -12.348 -3.729  -26.085 1.00 39.09 ? 137 GLY   A HA2    1 
ATOM   1636 H HA3    . GLY   A 1 120 ? -12.104 -3.542  -27.634 1.00 39.09 ? 137 GLY   A HA3    1 
ATOM   1637 N N      . SER   A 1 121 ? -15.000 -2.721  -27.258 1.00 28.66 ? 138 SER   A N      1 
ATOM   1638 C CA     . SER   A 1 121 ? -15.965 -1.631  -27.205 1.00 32.89 ? 138 SER   A CA     1 
ATOM   1639 C C      . SER   A 1 121 ? -17.218 -2.062  -26.450 1.00 28.26 ? 138 SER   A C      1 
ATOM   1640 O O      . SER   A 1 121 ? -17.419 -1.658  -25.302 1.00 26.80 ? 138 SER   A O      1 
ATOM   1641 C CB     . SER   A 1 121 ? -16.306 -1.147  -28.614 1.00 42.40 ? 138 SER   A CB     1 
ATOM   1642 O OG     . SER   A 1 121 ? -17.133 -2.079  -29.281 1.00 47.34 ? 138 SER   A OG     1 
ATOM   1643 H H      . SER   A 1 121 ? -15.334 -3.478  -27.494 1.00 34.39 ? 138 SER   A H      1 
ATOM   1644 H HA     . SER   A 1 121 ? -15.577 -0.880  -26.729 1.00 39.47 ? 138 SER   A HA     1 
ATOM   1645 H HB2    . SER   A 1 121 ? -16.772 -0.299  -28.552 1.00 50.88 ? 138 SER   A HB2    1 
ATOM   1646 H HB3    . SER   A 1 121 ? -15.484 -1.038  -29.117 1.00 50.88 ? 138 SER   A HB3    1 
ATOM   1647 H HG     . SER   A 1 121 ? -17.353 -1.780  -30.035 1.00 56.80 ? 138 SER   A HG     1 
ATOM   1648 N N      . ARG   A 1 122 ? -18.064 -2.884  -27.074 1.00 29.17 ? 139 ARG   A N      1 
ATOM   1649 C CA     . ARG   A 1 122 ? -19.275 -3.327  -26.388 1.00 26.66 ? 139 ARG   A CA     1 
ATOM   1650 C C      . ARG   A 1 122 ? -18.989 -4.299  -25.249 1.00 24.10 ? 139 ARG   A C      1 
ATOM   1651 O O      . ARG   A 1 122 ? -19.747 -4.345  -24.275 1.00 27.94 ? 139 ARG   A O      1 
ATOM   1652 C CB     . ARG   A 1 122 ? -20.237 -3.980  -27.375 1.00 29.45 ? 139 ARG   A CB     1 
ATOM   1653 C CG     . ARG   A 1 122 ? -21.681 -3.875  -26.937 1.00 37.34 ? 139 ARG   A CG     1 
ATOM   1654 C CD     . ARG   A 1 122 ? -22.569 -3.324  -28.042 1.00 41.54 ? 139 ARG   A CD     1 
ATOM   1655 N NE     . ARG   A 1 122 ? -23.946 -3.203  -27.581 1.00 40.13 ? 139 ARG   A NE     1 
ATOM   1656 C CZ     . ARG   A 1 122 ? -24.472 -2.123  -27.022 1.00 45.59 ? 139 ARG   A CZ     1 
ATOM   1657 N NH1    . ARG   A 1 122 ? -23.813 -0.975  -26.971 1.00 50.52 ? 139 ARG   A NH1    1 
ATOM   1658 N NH2    . ARG   A 1 122 ? -25.698 -2.192  -26.509 1.00 45.13 ? 139 ARG   A NH2    1 
ATOM   1659 H H      . ARG   A 1 122 ? -17.962 -3.191  -27.871 1.00 35.00 ? 139 ARG   A H      1 
ATOM   1660 H HA     . ARG   A 1 122 ? -19.697 -2.539  -26.012 1.00 31.99 ? 139 ARG   A HA     1 
ATOM   1661 H HB2    . ARG   A 1 122 ? -20.151 -3.543  -28.236 1.00 35.34 ? 139 ARG   A HB2    1 
ATOM   1662 H HB3    . ARG   A 1 122 ? -20.015 -4.921  -27.457 1.00 35.34 ? 139 ARG   A HB3    1 
ATOM   1663 H HG2    . ARG   A 1 122 ? -22.007 -4.757  -26.698 1.00 44.81 ? 139 ARG   A HG2    1 
ATOM   1664 H HG3    . ARG   A 1 122 ? -21.741 -3.280  -26.174 1.00 44.81 ? 139 ARG   A HG3    1 
ATOM   1665 H HD2    . ARG   A 1 122 ? -22.253 -2.445  -28.304 1.00 49.85 ? 139 ARG   A HD2    1 
ATOM   1666 H HD3    . ARG   A 1 122 ? -22.550 -3.924  -28.804 1.00 49.85 ? 139 ARG   A HD3    1 
ATOM   1667 H HE     . ARG   A 1 122 ? -24.458 -3.887  -27.681 1.00 48.15 ? 139 ARG   A HE     1 
ATOM   1668 H HH11   . ARG   A 1 122 ? -23.024 -0.917  -27.307 1.00 60.63 ? 139 ARG   A HH11   1 
ATOM   1669 H HH12   . ARG   A 1 122 ? -24.175 -0.287  -26.603 1.00 60.63 ? 139 ARG   A HH12   1 
ATOM   1670 H HH21   . ARG   A 1 122 ? -26.137 -2.931  -26.544 1.00 54.16 ? 139 ARG   A HH21   1 
ATOM   1671 H HH22   . ARG   A 1 122 ? -26.051 -1.499  -26.143 1.00 54.16 ? 139 ARG   A HH22   1 
ATOM   1672 N N      . PHE   A 1 123 ? -17.928 -5.087  -25.349 1.00 21.38 ? 140 PHE   A N      1 
ATOM   1673 C CA     . PHE   A 1 123 ? -17.542 -6.047  -24.315 1.00 19.04 ? 140 PHE   A CA     1 
ATOM   1674 C C      . PHE   A 1 123 ? -16.082 -5.738  -24.027 1.00 18.59 ? 140 PHE   A C      1 
ATOM   1675 O O      . PHE   A 1 123 ? -15.220 -5.965  -24.893 1.00 19.22 ? 140 PHE   A O      1 
ATOM   1676 C CB     . PHE   A 1 123 ? -17.728 -7.488  -24.804 1.00 19.77 ? 140 PHE   A CB     1 
ATOM   1677 C CG     . PHE   A 1 123 ? -17.592 -8.547  -23.719 1.00 17.74 ? 140 PHE   A CG     1 
ATOM   1678 C CD1    . PHE   A 1 123 ? -16.478 -8.634  -22.907 1.00 16.70 ? 140 PHE   A CD1    1 
ATOM   1679 C CD2    . PHE   A 1 123 ? -18.594 -9.490  -23.542 1.00 18.56 ? 140 PHE   A CD2    1 
ATOM   1680 C CE1    . PHE   A 1 123 ? -16.367 -9.626  -21.933 1.00 17.70 ? 140 PHE   A CE1    1 
ATOM   1681 C CE2    . PHE   A 1 123 ? -18.483 -10.473 -22.561 1.00 16.71 ? 140 PHE   A CE2    1 
ATOM   1682 C CZ     . PHE   A 1 123 ? -17.377 -10.530 -21.767 1.00 17.69 ? 140 PHE   A CZ     1 
ATOM   1683 H H      . PHE   A 1 123 ? -17.397 -5.087  -26.026 1.00 25.65 ? 140 PHE   A H      1 
ATOM   1684 H HA     . PHE   A 1 123 ? -18.075 -5.950  -23.511 1.00 22.84 ? 140 PHE   A HA     1 
ATOM   1685 H HB2    . PHE   A 1 123 ? -18.615 -7.573  -25.186 1.00 23.72 ? 140 PHE   A HB2    1 
ATOM   1686 H HB3    . PHE   A 1 123 ? -17.057 -7.674  -25.479 1.00 23.72 ? 140 PHE   A HB3    1 
ATOM   1687 H HD1    . PHE   A 1 123 ? -15.788 -8.018  -23.011 1.00 20.04 ? 140 PHE   A HD1    1 
ATOM   1688 H HD2    . PHE   A 1 123 ? -19.349 -9.465  -24.084 1.00 22.27 ? 140 PHE   A HD2    1 
ATOM   1689 H HE1    . PHE   A 1 123 ? -15.607 -9.671  -21.398 1.00 21.23 ? 140 PHE   A HE1    1 
ATOM   1690 H HE2    . PHE   A 1 123 ? -19.167 -11.093 -22.448 1.00 20.05 ? 140 PHE   A HE2    1 
ATOM   1691 H HZ     . PHE   A 1 123 ? -17.311 -11.186 -21.110 1.00 21.22 ? 140 PHE   A HZ     1 
ATOM   1692 N N      . GLN   A 1 124 ? -15.811 -5.156  -22.865 1.00 17.65 ? 141 GLN   A N      1 
ATOM   1693 C CA     . GLN   A 1 124 ? -14.464 -4.770  -22.477 1.00 17.73 ? 141 GLN   A CA     1 
ATOM   1694 C C      . GLN   A 1 124 ? -14.039 -5.565  -21.257 1.00 17.12 ? 141 GLN   A C      1 
ATOM   1695 O O      . GLN   A 1 124 ? -14.851 -5.814  -20.349 1.00 16.20 ? 141 GLN   A O      1 
ATOM   1696 C CB     . GLN   A 1 124 ? -14.417 -3.284  -22.164 1.00 19.20 ? 141 GLN   A CB     1 
ATOM   1697 C CG     . GLN   A 1 124 ? -14.509 -2.413  -23.429 1.00 22.05 ? 141 GLN   A CG     1 
ATOM   1698 C CD     . GLN   A 1 124 ? -14.596 -0.922  -23.116 1.00 26.46 ? 141 GLN   A CD     1 
ATOM   1699 O OE1    . GLN   A 1 124 ? -13.890 -0.429  -22.244 1.00 27.39 ? 141 GLN   A OE1    1 
ATOM   1700 N NE2    . GLN   A 1 124 ? -15.431 -0.196  -23.855 1.00 26.80 ? 141 GLN   A NE2    1 
ATOM   1701 H H      . GLN   A 1 124 ? -16.406 -4.970  -22.273 1.00 21.18 ? 141 GLN   A H      1 
ATOM   1702 H HA     . GLN   A 1 124 ? -13.840 -4.962  -23.195 1.00 21.28 ? 141 GLN   A HA     1 
ATOM   1703 H HB2    . GLN   A 1 124 ? -15.164 -3.057  -21.588 1.00 23.04 ? 141 GLN   A HB2    1 
ATOM   1704 H HB3    . GLN   A 1 124 ? -13.580 -3.080  -21.718 1.00 23.04 ? 141 GLN   A HB3    1 
ATOM   1705 H HG2    . GLN   A 1 124 ? -13.718 -2.559  -23.972 1.00 26.46 ? 141 GLN   A HG2    1 
ATOM   1706 H HG3    . GLN   A 1 124 ? -15.304 -2.662  -23.927 1.00 26.46 ? 141 GLN   A HG3    1 
ATOM   1707 H HE21   . GLN   A 1 124 ? -15.891 -0.571  -24.477 1.00 32.15 ? 141 GLN   A HE21   1 
ATOM   1708 H HE22   . GLN   A 1 124 ? -15.510 0.648   -23.710 1.00 32.15 ? 141 GLN   A HE22   1 
ATOM   1709 N N      . VAL   A 1 125 ? -12.772 -5.966  -21.220 1.00 16.68 ? 142 VAL   A N      1 
ATOM   1710 C CA     . VAL   A 1 125 ? -12.161 -6.605  -20.064 1.00 16.45 ? 142 VAL   A CA     1 
ATOM   1711 C C      . VAL   A 1 125 ? -10.987 -5.741  -19.627 1.00 16.61 ? 142 VAL   A C      1 
ATOM   1712 O O      . VAL   A 1 125 ? -10.059 -5.503  -20.413 1.00 20.68 ? 142 VAL   A O      1 
ATOM   1713 C CB     . VAL   A 1 125 ? -11.689 -8.024  -20.402 1.00 18.78 ? 142 VAL   A CB     1 
ATOM   1714 C CG1    . VAL   A 1 125 ? -10.979 -8.640  -19.223 1.00 22.64 ? 142 VAL   A CG1    1 
ATOM   1715 C CG2    . VAL   A 1 125 ? -12.864 -8.890  -20.844 1.00 18.92 ? 142 VAL   A CG2    1 
ATOM   1716 H H      . VAL   A 1 125 ? -12.227 -5.873  -21.879 1.00 20.01 ? 142 VAL   A H      1 
ATOM   1717 H HA     . VAL   A 1 125 ? -12.801 -6.650  -19.337 1.00 19.74 ? 142 VAL   A HA     1 
ATOM   1718 H HB     . VAL   A 1 125 ? -11.060 -7.978  -21.139 1.00 22.54 ? 142 VAL   A HB     1 
ATOM   1719 H HG11   . VAL   A 1 125 ? -10.893 -9.595  -19.370 1.00 27.17 ? 142 VAL   A HG11   1 
ATOM   1720 H HG12   . VAL   A 1 125 ? -10.101 -8.238  -19.137 1.00 27.17 ? 142 VAL   A HG12   1 
ATOM   1721 H HG13   . VAL   A 1 125 ? -11.498 -8.475  -18.420 1.00 27.17 ? 142 VAL   A HG13   1 
ATOM   1722 H HG21   . VAL   A 1 125 ? -12.526 -9.740  -21.166 1.00 22.70 ? 142 VAL   A HG21   1 
ATOM   1723 H HG22   . VAL   A 1 125 ? -13.452 -9.034  -20.086 1.00 22.70 ? 142 VAL   A HG22   1 
ATOM   1724 H HG23   . VAL   A 1 125 ? -13.343 -8.434  -21.553 1.00 22.70 ? 142 VAL   A HG23   1 
ATOM   1725 N N      . TRP   A 1 126 ? -11.024 -5.253  -18.396 1.00 15.72 ? 143 TRP   A N      1 
ATOM   1726 C CA     . TRP   A 1 126 ? -9.959  -4.423  -17.851 1.00 18.33 ? 143 TRP   A CA     1 
ATOM   1727 C C      . TRP   A 1 126 ? -9.252  -5.178  -16.732 1.00 16.15 ? 143 TRP   A C      1 
ATOM   1728 O O      . TRP   A 1 126 ? -9.900  -5.610  -15.767 1.00 17.58 ? 143 TRP   A O      1 
ATOM   1729 C CB     . TRP   A 1 126 ? -10.527 -3.116  -17.300 1.00 18.10 ? 143 TRP   A CB     1 
ATOM   1730 C CG     . TRP   A 1 126 ? -11.142 -2.162  -18.297 1.00 19.43 ? 143 TRP   A CG     1 
ATOM   1731 C CD1    . TRP   A 1 126 ? -11.979 -2.454  -19.347 1.00 22.77 ? 143 TRP   A CD1    1 
ATOM   1732 C CD2    . TRP   A 1 126 ? -11.015 -0.756  -18.278 1.00 20.21 ? 143 TRP   A CD2    1 
ATOM   1733 N NE1    . TRP   A 1 126 ? -12.347 -1.288  -19.996 1.00 25.53 ? 143 TRP   A NE1    1 
ATOM   1734 C CE2    . TRP   A 1 126 ? -11.756 -0.235  -19.360 1.00 21.67 ? 143 TRP   A CE2    1 
ATOM   1735 C CE3    . TRP   A 1 126 ? -10.305 0.137   -17.469 1.00 27.96 ? 143 TRP   A CE3    1 
ATOM   1736 C CZ2    . TRP   A 1 126 ? -11.831 1.125   -19.633 1.00 25.60 ? 143 TRP   A CZ2    1 
ATOM   1737 C CZ3    . TRP   A 1 126 ? -10.372 1.489   -17.752 1.00 28.44 ? 143 TRP   A CZ3    1 
ATOM   1738 C CH2    . TRP   A 1 126 ? -11.127 1.968   -18.824 1.00 30.92 ? 143 TRP   A CH2    1 
ATOM   1739 H H      . TRP   A 1 126 ? -11.670 -5.392  -17.845 1.00 18.86 ? 143 TRP   A H      1 
ATOM   1740 H HA     . TRP   A 1 126 ? -9.318  -4.230  -18.552 1.00 21.99 ? 143 TRP   A HA     1 
ATOM   1741 H HB2    . TRP   A 1 126 ? -11.220 -3.338  -16.658 1.00 21.73 ? 143 TRP   A HB2    1 
ATOM   1742 H HB3    . TRP   A 1 126 ? -9.807  -2.639  -16.859 1.00 21.73 ? 143 TRP   A HB3    1 
ATOM   1743 H HD1    . TRP   A 1 126 ? -12.258 -3.308  -19.586 1.00 27.33 ? 143 TRP   A HD1    1 
ATOM   1744 H HE1    . TRP   A 1 126 ? -12.861 -1.236  -20.683 1.00 30.64 ? 143 TRP   A HE1    1 
ATOM   1745 H HE3    . TRP   A 1 126 ? -9.797  -0.173  -16.754 1.00 33.56 ? 143 TRP   A HE3    1 
ATOM   1746 H HZ2    . TRP   A 1 126 ? -12.342 1.449   -20.339 1.00 30.71 ? 143 TRP   A HZ2    1 
ATOM   1747 H HZ3    . TRP   A 1 126 ? -9.905  2.091   -17.218 1.00 34.13 ? 143 TRP   A HZ3    1 
ATOM   1748 H HH2    . TRP   A 1 126 ? -11.150 2.882   -18.991 1.00 37.11 ? 143 TRP   A HH2    1 
ATOM   1749 N N      . ASP   A 1 127 ? -7.938  -5.334  -16.853 1.00 17.40 ? 144 ASP   A N      1 
ATOM   1750 C CA     . ASP   A 1 127 ? -7.117  -5.829  -15.761 1.00 16.90 ? 144 ASP   A CA     1 
ATOM   1751 C C      . ASP   A 1 127 ? -6.783  -4.666  -14.857 1.00 16.22 ? 144 ASP   A C      1 
ATOM   1752 O O      . ASP   A 1 127 ? -6.497  -3.575  -15.340 1.00 18.85 ? 144 ASP   A O      1 
ATOM   1753 C CB     . ASP   A 1 127 ? -5.827  -6.404  -16.317 1.00 18.76 ? 144 ASP   A CB     1 
ATOM   1754 C CG     . ASP   A 1 127 ? -6.069  -7.615  -17.176 1.00 20.75 ? 144 ASP   A CG     1 
ATOM   1755 O OD1    . ASP   A 1 127 ? -6.496  -8.640  -16.635 1.00 24.07 ? 144 ASP   A OD1    1 
ATOM   1756 O OD2    . ASP   A 1 127 ? -5.884  -7.517  -18.401 1.00 26.94 ? 144 ASP   A OD2    1 
ATOM   1757 H H      . ASP   A 1 127 ? -7.494  -5.158  -17.568 1.00 20.88 ? 144 ASP   A H      1 
ATOM   1758 H HA     . ASP   A 1 127 ? -7.580  -6.521  -15.262 1.00 20.28 ? 144 ASP   A HA     1 
ATOM   1759 H HB2    . ASP   A 1 127 ? -5.388  -5.731  -16.861 1.00 22.51 ? 144 ASP   A HB2    1 
ATOM   1760 H HB3    . ASP   A 1 127 ? -5.251  -6.664  -15.582 1.00 22.51 ? 144 ASP   A HB3    1 
ATOM   1761 N N      . TYR   A 1 128 ? -6.814  -4.872  -13.544 1.00 16.49 ? 145 TYR   A N      1 
ATOM   1762 C CA     . TYR   A 1 128 ? -6.626  -3.753  -12.622 1.00 16.69 ? 145 TYR   A CA     1 
ATOM   1763 C C      . TYR   A 1 128 ? -6.098  -4.250  -11.282 1.00 16.89 ? 145 TYR   A C      1 
ATOM   1764 O O      . TYR   A 1 128 ? -6.146  -5.454  -10.982 1.00 16.65 ? 145 TYR   A O      1 
ATOM   1765 C CB     . TYR   A 1 128 ? -7.945  -2.976  -12.455 1.00 17.49 ? 145 TYR   A CB     1 
ATOM   1766 C CG     . TYR   A 1 128 ? -8.934  -3.662  -11.543 1.00 16.50 ? 145 TYR   A CG     1 
ATOM   1767 C CD1    . TYR   A 1 128 ? -9.632  -4.784  -11.972 1.00 15.78 ? 145 TYR   A CD1    1 
ATOM   1768 C CD2    . TYR   A 1 128 ? -9.179  -3.205  -10.258 1.00 15.93 ? 145 TYR   A CD2    1 
ATOM   1769 C CE1    . TYR   A 1 128 ? -10.525 -5.424  -11.152 1.00 14.43 ? 145 TYR   A CE1    1 
ATOM   1770 C CE2    . TYR   A 1 128 ? -10.089 -3.839  -9.432  1.00 15.95 ? 145 TYR   A CE2    1 
ATOM   1771 C CZ     . TYR   A 1 128 ? -10.750 -4.961  -9.889  1.00 15.35 ? 145 TYR   A CZ     1 
ATOM   1772 O OH     . TYR   A 1 128 ? -11.637 -5.589  -9.057  1.00 15.24 ? 145 TYR   A OH     1 
ATOM   1773 H H      . TYR   A 1 128 ? -6.939  -5.636  -13.168 1.00 19.79 ? 145 TYR   A H      1 
ATOM   1774 H HA     . TYR   A 1 128 ? -5.947  -3.159  -12.979 1.00 20.03 ? 145 TYR   A HA     1 
ATOM   1775 H HB2    . TYR   A 1 128 ? -7.749  -2.104  -12.079 1.00 20.98 ? 145 TYR   A HB2    1 
ATOM   1776 H HB3    . TYR   A 1 128 ? -8.363  -2.877  -13.325 1.00 20.98 ? 145 TYR   A HB3    1 
ATOM   1777 H HD1    . TYR   A 1 128 ? -9.490  -5.107  -12.832 1.00 18.93 ? 145 TYR   A HD1    1 
ATOM   1778 H HD2    . TYR   A 1 128 ? -8.723  -2.457  -9.945  1.00 19.12 ? 145 TYR   A HD2    1 
ATOM   1779 H HE1    . TYR   A 1 128 ? -10.979 -6.175  -11.458 1.00 17.31 ? 145 TYR   A HE1    1 
ATOM   1780 H HE2    . TYR   A 1 128 ? -10.253 -3.512  -8.576  1.00 19.14 ? 145 TYR   A HE2    1 
ATOM   1781 H HH     . TYR   A 1 128 ? -11.959 -6.266  -9.438  1.00 18.28 ? 145 TYR   A HH     1 
ATOM   1782 N N      . GLU   A 1 129 ? -5.618  -3.305  -10.466 1.00 17.71 ? 146 GLU   A N      1 
ATOM   1783 C CA     . GLU   A 1 129 ? -5.228  -3.547  -9.086  1.00 18.32 ? 146 GLU   A CA     1 
ATOM   1784 C C      . GLU   A 1 129 ? -6.352  -3.105  -8.154  1.00 18.63 ? 146 GLU   A C      1 
ATOM   1785 O O      . GLU   A 1 129 ? -6.955  -2.050  -8.369  1.00 19.13 ? 146 GLU   A O      1 
ATOM   1786 C CB     . GLU   A 1 129 ? -3.940  -2.783  -8.750  1.00 22.05 ? 146 GLU   A CB     1 
ATOM   1787 C CG     . GLU   A 1 129 ? -2.750  -3.255  -9.571  1.00 24.54 ? 146 GLU   A CG     1 
ATOM   1788 C CD     . GLU   A 1 129 ? -1.501  -2.445  -9.317  1.00 25.71 ? 146 GLU   A CD     1 
ATOM   1789 O OE1    . GLU   A 1 129 ? -1.388  -1.823  -8.251  1.00 26.13 ? 146 GLU   A OE1    1 
ATOM   1790 O OE2    . GLU   A 1 129 ? -0.640  -2.413  -10.202 1.00 25.71 ? 146 GLU   A OE2    1 
ATOM   1791 H H      . GLU   A 1 129 ? -5.509  -2.486  -10.704 1.00 21.25 ? 146 GLU   A H      1 
ATOM   1792 H HA     . GLU   A 1 129 ? -5.065  -4.493  -8.947  1.00 21.98 ? 146 GLU   A HA     1 
ATOM   1793 H HB2    . GLU   A 1 129 ? -4.075  -1.840  -8.930  1.00 26.46 ? 146 GLU   A HB2    1 
ATOM   1794 H HB3    . GLU   A 1 129 ? -3.730  -2.914  -7.812  1.00 26.46 ? 146 GLU   A HB3    1 
ATOM   1795 H HG2    . GLU   A 1 129 ? -2.558  -4.179  -9.346  1.00 29.45 ? 146 GLU   A HG2    1 
ATOM   1796 H HG3    . GLU   A 1 129 ? -2.968  -3.181  -10.513 1.00 29.45 ? 146 GLU   A HG3    1 
ATOM   1797 N N      . GLU   A 1 130 ? -6.557  -3.856  -7.059  1.00 22.22 ? 147 GLU   A N      1 
ATOM   1798 C CA     . GLU   A 1 130 ? -7.786  -3.737  -6.273  1.00 20.23 ? 147 GLU   A CA     1 
ATOM   1799 C C      . GLU   A 1 130 ? -8.047  -2.317  -5.794  1.00 19.02 ? 147 GLU   A C      1 
ATOM   1800 O O      . GLU   A 1 130 ? -9.205  -1.886  -5.746  1.00 19.68 ? 147 GLU   A O      1 
ATOM   1801 C CB     . GLU   A 1 130 ? -7.768  -4.694  -5.075  1.00 22.99 ? 147 GLU   A CB     1 
ATOM   1802 C CG     . GLU   A 1 130 ? -6.681  -4.475  -4.008  1.00 29.26 ? 147 GLU   A CG     1 
ATOM   1803 C CD     . GLU   A 1 130 ? -6.938  -3.329  -3.004  0.66 26.59 ? 147 GLU   A CD     1 
ATOM   1804 O OE1    . GLU   A 1 130 ? -8.104  -2.933  -2.750  0.97 28.21 ? 147 GLU   A OE1    1 
ATOM   1805 O OE2    . GLU   A 1 130 ? -5.936  -2.852  -2.424  0.58 29.66 ? 147 GLU   A OE2    1 
ATOM   1806 H H      . GLU   A 1 130 ? -6.001  -4.438  -6.755  1.00 26.67 ? 147 GLU   A H      1 
ATOM   1807 H HA     . GLU   A 1 130 ? -8.517  -3.990  -6.858  1.00 24.28 ? 147 GLU   A HA     1 
ATOM   1808 H HB2    . GLU   A 1 130 ? -8.623  -4.621  -4.622  1.00 27.58 ? 147 GLU   A HB2    1 
ATOM   1809 H HB3    . GLU   A 1 130 ? -7.649  -5.594  -5.415  1.00 27.58 ? 147 GLU   A HB3    1 
ATOM   1810 H HG2    . GLU   A 1 130 ? -6.592  -5.293  -3.493  1.00 35.11 ? 147 GLU   A HG2    1 
ATOM   1811 H HG3    . GLU   A 1 130 ? -5.846  -4.277  -4.461  1.00 35.11 ? 147 GLU   A HG3    1 
ATOM   1812 N N      . GLY   A 1 131 ? -7.006  -1.597  -5.369  1.00 21.29 ? 148 GLY   A N      1 
ATOM   1813 C CA     . GLY   A 1 131 ? -7.199  -0.282  -4.778  1.00 23.21 ? 148 GLY   A CA     1 
ATOM   1814 C C      . GLY   A 1 131 ? -7.745  0.746   -5.738  1.00 22.64 ? 148 GLY   A C      1 
ATOM   1815 O O      . GLY   A 1 131 ? -8.258  1.782   -5.297  1.00 25.44 ? 148 GLY   A O      1 
ATOM   1816 H H      . GLY   A 1 131 ? -6.185  -1.850  -5.412  1.00 25.55 ? 148 GLY   A H      1 
ATOM   1817 H HA2    . GLY   A 1 131 ? -7.819  -0.358  -4.036  1.00 27.86 ? 148 GLY   A HA2    1 
ATOM   1818 H HA3    . GLY   A 1 131 ? -6.347  0.042   -4.446  1.00 27.86 ? 148 GLY   A HA3    1 
ATOM   1819 N N      . GLU   A 1 132 ? -7.675  0.477   -7.031  1.00 21.68 ? 149 GLU   A N      1 
ATOM   1820 C CA     . GLU   A 1 132 ? -7.997  1.436   -8.071  1.00 21.92 ? 149 GLU   A CA     1 
ATOM   1821 C C      . GLU   A 1 132 ? -9.402  1.287   -8.630  1.00 20.18 ? 149 GLU   A C      1 
ATOM   1822 O O      . GLU   A 1 132 ? -9.732  1.961   -9.606  1.00 20.25 ? 149 GLU   A O      1 
ATOM   1823 C CB     . GLU   A 1 132 ? -6.979  1.280   -9.210  1.00 25.77 ? 149 GLU   A CB     1 
ATOM   1824 C CG     . GLU   A 1 132 ? -5.544  1.187   -8.709  1.00 33.78 ? 149 GLU   A CG     1 
ATOM   1825 C CD     . GLU   A 1 132 ? -4.525  1.621   -9.732  1.00 40.67 ? 149 GLU   A CD     1 
ATOM   1826 O OE1    . GLU   A 1 132 ? -4.842  2.513   -10.546 1.00 55.53 ? 149 GLU   A OE1    1 
ATOM   1827 O OE2    . GLU   A 1 132 ? -3.400  1.070   -9.716  1.00 47.50 ? 149 GLU   A OE2    1 
ATOM   1828 H H      . GLU   A 1 132 ? -7.433  -0.287  -7.344  1.00 26.01 ? 149 GLU   A H      1 
ATOM   1829 H HA     . GLU   A 1 132 ? -7.937  2.331   -7.702  1.00 26.30 ? 149 GLU   A HA     1 
ATOM   1830 H HB2    . GLU   A 1 132 ? -7.179  0.468   -9.703  1.00 30.92 ? 149 GLU   A HB2    1 
ATOM   1831 H HB3    . GLU   A 1 132 ? -7.043  2.049   -9.798  1.00 30.92 ? 149 GLU   A HB3    1 
ATOM   1832 H HG2    . GLU   A 1 132 ? -5.445  1.757   -7.930  1.00 40.54 ? 149 GLU   A HG2    1 
ATOM   1833 H HG3    . GLU   A 1 132 ? -5.353  0.266   -8.471  1.00 40.54 ? 149 GLU   A HG3    1 
ATOM   1834 N N      . VAL   A 1 133 ? -10.234 0.405   -8.069  1.00 17.51 ? 150 VAL   A N      1 
ATOM   1835 C CA     . VAL   A 1 133 ? -11.476 0.088   -8.763  1.00 16.79 ? 150 VAL   A CA     1 
ATOM   1836 C C      . VAL   A 1 133 ? -12.383 1.310   -8.896  1.00 17.67 ? 150 VAL   A C      1 
ATOM   1837 O O      . VAL   A 1 133 ? -13.055 1.474   -9.919  1.00 17.59 ? 150 VAL   A O      1 
ATOM   1838 C CB     . VAL   A 1 133 ? -12.185 -1.120  -8.120  1.00 17.11 ? 150 VAL   A CB     1 
ATOM   1839 C CG1    . VAL   A 1 133 ? -13.033 -0.730  -6.918  1.00 17.17 ? 150 VAL   A CG1    1 
ATOM   1840 C CG2    . VAL   A 1 133 ? -13.033 -1.832  -9.169  1.00 17.95 ? 150 VAL   A CG2    1 
ATOM   1841 H H      . VAL   A 1 133 ? -10.107 -0.002  -7.323  1.00 21.01 ? 150 VAL   A H      1 
ATOM   1842 H HA     . VAL   A 1 133 ? -11.239 -0.174  -9.666  1.00 20.14 ? 150 VAL   A HA     1 
ATOM   1843 H HB     . VAL   A 1 133 ? -11.504 -1.726  -7.788  1.00 20.53 ? 150 VAL   A HB     1 
ATOM   1844 H HG11   . VAL   A 1 133 ? -13.292 -1.533  -6.441  1.00 20.60 ? 150 VAL   A HG11   1 
ATOM   1845 H HG12   . VAL   A 1 133 ? -12.511 -0.154  -6.338  1.00 20.60 ? 150 VAL   A HG12   1 
ATOM   1846 H HG13   . VAL   A 1 133 ? -13.822 -0.259  -7.228  1.00 20.60 ? 150 VAL   A HG13   1 
ATOM   1847 H HG21   . VAL   A 1 133 ? -13.492 -2.577  -8.751  1.00 21.54 ? 150 VAL   A HG21   1 
ATOM   1848 H HG22   . VAL   A 1 133 ? -13.681 -1.205  -9.530  1.00 21.54 ? 150 VAL   A HG22   1 
ATOM   1849 H HG23   . VAL   A 1 133 ? -12.455 -2.154  -9.878  1.00 21.54 ? 150 VAL   A HG23   1 
ATOM   1850 N N      . GLU   A 1 134 ? -12.442 2.161   -7.876  1.00 17.54 ? 151 GLU   A N      1 
ATOM   1851 C CA     . GLU   A 1 134 ? -13.325 3.322   -7.954  1.00 18.37 ? 151 GLU   A CA     1 
ATOM   1852 C C      . GLU   A 1 134 ? -12.883 4.278   -9.055  1.00 20.20 ? 151 GLU   A C      1 
ATOM   1853 O O      . GLU   A 1 134 ? -13.715 4.772   -9.821  1.00 20.59 ? 151 GLU   A O      1 
ATOM   1854 C CB     . GLU   A 1 134 ? -13.338 4.054   -6.618  1.00 20.26 ? 151 GLU   A CB     1 
ATOM   1855 C CG     . GLU   A 1 134 ? -14.098 3.344   -5.521  1.00 18.50 ? 151 GLU   A CG     1 
ATOM   1856 C CD     . GLU   A 1 134 ? -13.255 2.360   -4.737  1.00 18.32 ? 151 GLU   A CD     1 
ATOM   1857 O OE1    . GLU   A 1 134 ? -12.063 2.163   -5.071  1.00 19.53 ? 151 GLU   A OE1    1 
ATOM   1858 O OE2    . GLU   A 1 134 ? -13.793 1.800   -3.755  1.00 16.73 ? 151 GLU   A OE2    1 
ATOM   1859 H H      . GLU   A 1 134 ? -11.993 2.093   -7.145  1.00 21.05 ? 151 GLU   A H      1 
ATOM   1860 H HA     . GLU   A 1 134 ? -14.223 3.013   -8.151  1.00 22.04 ? 151 GLU   A HA     1 
ATOM   1861 H HB2    . GLU   A 1 134 ? -12.423 4.164   -6.317  1.00 24.32 ? 151 GLU   A HB2    1 
ATOM   1862 H HB3    . GLU   A 1 134 ? -13.752 4.922   -6.746  1.00 24.32 ? 151 GLU   A HB3    1 
ATOM   1863 H HG2    . GLU   A 1 134 ? -14.437 4.005   -4.898  1.00 22.21 ? 151 GLU   A HG2    1 
ATOM   1864 H HG3    . GLU   A 1 134 ? -14.834 2.853   -5.918  1.00 22.21 ? 151 GLU   A HG3    1 
ATOM   1865 N N      . ALA   A 1 135 ? -11.577 4.521   -9.164  1.00 20.18 ? 152 ALA   A N      1 
ATOM   1866 C CA     . ALA   A 1 135 ? -11.074 5.404   -10.206 1.00 21.98 ? 152 ALA   A CA     1 
ATOM   1867 C C      . ALA   A 1 135 ? -11.311 4.814   -11.585 1.00 20.93 ? 152 ALA   A C      1 
ATOM   1868 O O      . ALA   A 1 135 ? -11.589 5.554   -12.537 1.00 23.37 ? 152 ALA   A O      1 
ATOM   1869 C CB     . ALA   A 1 135 ? -9.587  5.673   -9.987  1.00 26.71 ? 152 ALA   A CB     1 
ATOM   1870 H H      . ALA   A 1 135 ? -10.970 4.189   -8.653  1.00 24.22 ? 152 ALA   A H      1 
ATOM   1871 H HA     . ALA   A 1 135 ? -11.544 6.251   -10.155 1.00 26.38 ? 152 ALA   A HA     1 
ATOM   1872 H HB1    . ALA   A 1 135 ? -9.269  6.271   -10.681 1.00 32.05 ? 152 ALA   A HB1    1 
ATOM   1873 H HB2    . ALA   A 1 135 ? -9.465  6.083   -9.116  1.00 32.05 ? 152 ALA   A HB2    1 
ATOM   1874 H HB3    . ALA   A 1 135 ? -9.105  4.833   -10.028 1.00 32.05 ? 152 ALA   A HB3    1 
ATOM   1875 N N      . LEU   A 1 136 ? -11.158 3.496   -11.725 1.00 20.26 ? 153 LEU   A N      1 
ATOM   1876 C CA     . LEU   A 1 136 ? -11.391 2.863   -13.015 1.00 19.33 ? 153 LEU   A CA     1 
ATOM   1877 C C      . LEU   A 1 136 ? -12.843 3.017   -13.416 1.00 19.37 ? 153 LEU   A C      1 
ATOM   1878 O O      . LEU   A 1 136 ? -13.149 3.334   -14.570 1.00 21.12 ? 153 LEU   A O      1 
ATOM   1879 C CB     . LEU   A 1 136 ? -10.990 1.394   -12.923 1.00 21.07 ? 153 LEU   A CB     1 
ATOM   1880 C CG     . LEU   A 1 136 ? -11.152 0.461   -14.119 1.00 23.59 ? 153 LEU   A CG     1 
ATOM   1881 C CD1    . LEU   A 1 136 ? -10.407 -0.844  -13.799 1.00 27.37 ? 153 LEU   A CD1    1 
ATOM   1882 C CD2    . LEU   A 1 136 ? -12.600 0.144   -14.481 1.00 26.66 ? 153 LEU   A CD2    1 
ATOM   1883 H H      . LEU   A 1 136 ? -10.924 2.957   -11.097 1.00 24.31 ? 153 LEU   A H      1 
ATOM   1884 H HA     . LEU   A 1 136 ? -10.848 3.278   -13.703 1.00 23.20 ? 153 LEU   A HA     1 
ATOM   1885 H HB2    . LEU   A 1 136 ? -10.047 1.371   -12.694 1.00 25.28 ? 153 LEU   A HB2    1 
ATOM   1886 H HB3    . LEU   A 1 136 ? -11.514 1.001   -12.207 1.00 25.28 ? 153 LEU   A HB3    1 
ATOM   1887 H HG     . LEU   A 1 136 ? -10.789 0.910   -14.898 1.00 28.31 ? 153 LEU   A HG     1 
ATOM   1888 H HD11   . LEU   A 1 136 ? -10.500 -1.453  -14.548 1.00 32.85 ? 153 LEU   A HD11   1 
ATOM   1889 H HD12   . LEU   A 1 136 ? -9.469  -0.644  -13.651 1.00 32.85 ? 153 LEU   A HD12   1 
ATOM   1890 H HD13   . LEU   A 1 136 ? -10.791 -1.240  -13.001 1.00 32.85 ? 153 LEU   A HD13   1 
ATOM   1891 H HD21   . LEU   A 1 136 ? -12.610 -0.494  -15.212 1.00 32.00 ? 153 LEU   A HD21   1 
ATOM   1892 H HD22   . LEU   A 1 136 ? -13.044 -0.233  -13.706 1.00 32.00 ? 153 LEU   A HD22   1 
ATOM   1893 H HD23   . LEU   A 1 136 ? -13.044 0.963   -14.751 1.00 32.00 ? 153 LEU   A HD23   1 
ATOM   1894 N N      . LEU   A 1 137 ? -13.760 2.788   -12.468 1.00 19.52 ? 154 LEU   A N      1 
ATOM   1895 C CA     . LEU   A 1 137 ? -15.175 2.971   -12.749 1.00 18.17 ? 154 LEU   A CA     1 
ATOM   1896 C C      . LEU   A 1 137 ? -15.471 4.425   -13.114 1.00 19.67 ? 154 LEU   A C      1 
ATOM   1897 O O      . LEU   A 1 137 ? -16.271 4.700   -14.018 1.00 20.87 ? 154 LEU   A O      1 
ATOM   1898 C CB     . LEU   A 1 137 ? -15.988 2.507   -11.543 1.00 17.12 ? 154 LEU   A CB     1 
ATOM   1899 C CG     . LEU   A 1 137 ? -15.956 0.995   -11.295 1.00 16.25 ? 154 LEU   A CG     1 
ATOM   1900 C CD1    . LEU   A 1 137 ? -16.541 0.660   -9.939  1.00 17.58 ? 154 LEU   A CD1    1 
ATOM   1901 C CD2    . LEU   A 1 137 ? -16.706 0.293   -12.414 1.00 17.91 ? 154 LEU   A CD2    1 
ATOM   1902 H H      . LEU   A 1 137 ? -13.585 2.530   -11.667 1.00 23.43 ? 154 LEU   A H      1 
ATOM   1903 H HA     . LEU   A 1 137 ? -15.441 2.428   -13.508 1.00 21.80 ? 154 LEU   A HA     1 
ATOM   1904 H HB2    . LEU   A 1 137 ? -15.637 2.941   -10.750 1.00 20.54 ? 154 LEU   A HB2    1 
ATOM   1905 H HB3    . LEU   A 1 137 ? -16.914 2.762   -11.679 1.00 20.54 ? 154 LEU   A HB3    1 
ATOM   1906 H HG     . LEU   A 1 137 ? -15.040 0.677   -11.290 1.00 19.50 ? 154 LEU   A HG     1 
ATOM   1907 H HD11   . LEU   A 1 137 ? -16.506 -0.301  -9.809  1.00 21.10 ? 154 LEU   A HD11   1 
ATOM   1908 H HD12   . LEU   A 1 137 ? -16.022 1.105   -9.252  1.00 21.10 ? 154 LEU   A HD12   1 
ATOM   1909 H HD13   . LEU   A 1 137 ? -17.461 0.965   -9.908  1.00 21.10 ? 154 LEU   A HD13   1 
ATOM   1910 H HD21   . LEU   A 1 137 ? -16.838 -0.637  -12.171 1.00 21.50 ? 154 LEU   A HD21   1 
ATOM   1911 H HD22   . LEU   A 1 137 ? -17.564 0.727   -12.540 1.00 21.50 ? 154 LEU   A HD22   1 
ATOM   1912 H HD23   . LEU   A 1 137 ? -16.183 0.350   -13.229 1.00 21.50 ? 154 LEU   A HD23   1 
ATOM   1913 N N      . ASP   A 1 138 ? -14.834 5.370   -12.427 1.00 20.37 ? 155 ASP   A N      1 
ATOM   1914 C CA     . ASP   A 1 138 ? -14.972 6.776   -12.801 1.00 21.87 ? 155 ASP   A CA     1 
ATOM   1915 C C      . ASP   A 1 138 ? -14.611 6.978   -14.269 1.00 21.89 ? 155 ASP   A C      1 
ATOM   1916 O O      . ASP   A 1 138 ? -15.314 7.680   -15.007 1.00 24.38 ? 155 ASP   A O      1 
ATOM   1917 C CB     . ASP   A 1 138 ? -14.072 7.658   -11.931 1.00 23.27 ? 155 ASP   A CB     1 
ATOM   1918 C CG     . ASP   A 1 138 ? -14.624 7.893   -10.537 1.00 22.94 ? 155 ASP   A CG     1 
ATOM   1919 O OD1    . ASP   A 1 138 ? -15.762 7.476   -10.256 1.00 24.23 ? 155 ASP   A OD1    1 
ATOM   1920 O OD2    . ASP   A 1 138 ? -13.909 8.496   -9.719  1.00 28.08 ? 155 ASP   A OD2    1 
ATOM   1921 H H      . ASP   A 1 138 ? -14.322 5.227   -11.750 1.00 24.45 ? 155 ASP   A H      1 
ATOM   1922 H HA     . ASP   A 1 138 ? -15.894 7.041   -12.653 1.00 26.25 ? 155 ASP   A HA     1 
ATOM   1923 H HB2    . ASP   A 1 138 ? -13.207 7.229   -11.840 1.00 27.93 ? 155 ASP   A HB2    1 
ATOM   1924 H HB3    . ASP   A 1 138 ? -13.970 8.522   -12.360 1.00 27.93 ? 155 ASP   A HB3    1 
ATOM   1925 N N      . ARG   A 1 139 ? -13.478 6.406   -14.701 1.00 22.53 ? 156 ARG   A N      1 
ATOM   1926 C CA     . ARG   A 1 139 ? -13.059 6.605   -16.085 1.00 23.93 ? 156 ARG   A CA     1 
ATOM   1927 C C      . ARG   A 1 139 ? -14.040 5.965   -17.056 1.00 22.48 ? 156 ARG   A C      1 
ATOM   1928 O O      . ARG   A 1 139 ? -14.329 6.526   -18.110 1.00 24.09 ? 156 ARG   A O      1 
ATOM   1929 C CB     . ARG   A 1 139 ? -11.637 6.111   -16.327 1.00 29.46 ? 156 ARG   A CB     1 
ATOM   1930 C CG     . ARG   A 1 139 ? -10.625 6.663   -15.330 1.00 33.66 ? 156 ARG   A CG     1 
ATOM   1931 C CD     . ARG   A 1 139 ? -10.113 8.043   -15.746 1.00 37.09 ? 156 ARG   A CD     1 
ATOM   1932 N NE     . ARG   A 1 139 ? -10.887 9.120   -15.128 1.00 42.75 ? 156 ARG   A NE     1 
ATOM   1933 C CZ     . ARG   A 1 139 ? -11.058 9.289   -13.821 1.00 40.85 ? 156 ARG   A CZ     1 
ATOM   1934 N NH1    . ARG   A 1 139 ? -10.463 8.504   -12.934 1.00 36.21 ? 156 ARG   A NH1    1 
ATOM   1935 N NH2    . ARG   A 1 139 ? -11.855 10.263  -13.394 1.00 40.11 ? 156 ARG   A NH2    1 
ATOM   1936 H H      . ARG   A 1 139 ? -12.955 5.915   -14.226 1.00 27.03 ? 156 ARG   A H      1 
ATOM   1937 H HA     . ARG   A 1 139 ? -13.045 7.560   -16.255 1.00 28.72 ? 156 ARG   A HA     1 
ATOM   1938 H HB2    . ARG   A 1 139 ? -11.625 5.144   -16.258 1.00 35.36 ? 156 ARG   A HB2    1 
ATOM   1939 H HB3    . ARG   A 1 139 ? -11.358 6.384   -17.215 1.00 35.36 ? 156 ARG   A HB3    1 
ATOM   1940 H HG2    . ARG   A 1 139 ? -11.045 6.744   -14.460 1.00 40.39 ? 156 ARG   A HG2    1 
ATOM   1941 H HG3    . ARG   A 1 139 ? -9.866  6.061   -15.278 1.00 40.39 ? 156 ARG   A HG3    1 
ATOM   1942 H HD2    . ARG   A 1 139 ? -9.188  8.138   -15.470 1.00 44.50 ? 156 ARG   A HD2    1 
ATOM   1943 H HD3    . ARG   A 1 139 ? -10.183 8.133   -16.709 1.00 44.50 ? 156 ARG   A HD3    1 
ATOM   1944 H HE     . ARG   A 1 139 ? -11.262 9.689   -15.653 1.00 51.30 ? 156 ARG   A HE     1 
ATOM   1945 H HH11   . ARG   A 1 139 ? -9.951  7.866   -13.199 1.00 43.45 ? 156 ARG   A HH11   1 
ATOM   1946 H HH12   . ARG   A 1 139 ? -10.589 8.633   -12.093 1.00 43.45 ? 156 ARG   A HH12   1 
ATOM   1947 H HH21   . ARG   A 1 139 ? -12.252 10.774  -13.961 1.00 48.14 ? 156 ARG   A HH21   1 
ATOM   1948 H HH22   . ARG   A 1 139 ? -11.974 10.383  -12.551 1.00 48.14 ? 156 ARG   A HH22   1 
ATOM   1949 N N      . TYR   A 1 140 ? -14.564 4.787   -16.732 1.00 23.46 ? 157 TYR   A N      1 
ATOM   1950 C CA     . TYR   A 1 140 ? -15.489 4.128   -17.657 1.00 23.71 ? 157 TYR   A CA     1 
ATOM   1951 C C      . TYR   A 1 140 ? -16.816 4.878   -17.740 1.00 22.38 ? 157 TYR   A C      1 
ATOM   1952 O O      . TYR   A 1 140 ? -17.352 5.078   -18.839 1.00 26.68 ? 157 TYR   A O      1 
ATOM   1953 C CB     . TYR   A 1 140 ? -15.726 2.682   -17.242 1.00 23.27 ? 157 TYR   A CB     1 
ATOM   1954 C CG     . TYR   A 1 140 ? -16.604 1.906   -18.197 1.00 22.36 ? 157 TYR   A CG     1 
ATOM   1955 C CD1    . TYR   A 1 140 ? -17.982 1.938   -18.071 1.00 23.61 ? 157 TYR   A CD1    1 
ATOM   1956 C CD2    . TYR   A 1 140 ? -16.048 1.165   -19.230 1.00 23.26 ? 157 TYR   A CD2    1 
ATOM   1957 C CE1    . TYR   A 1 140 ? -18.799 1.214   -18.942 1.00 22.90 ? 157 TYR   A CE1    1 
ATOM   1958 C CE2    . TYR   A 1 140 ? -16.854 0.436   -20.099 1.00 23.37 ? 157 TYR   A CE2    1 
ATOM   1959 C CZ     . TYR   A 1 140 ? -18.228 0.469   -19.946 1.00 25.02 ? 157 TYR   A CZ     1 
ATOM   1960 O OH     . TYR   A 1 140 ? -19.039 -0.232  -20.820 1.00 26.75 ? 157 TYR   A OH     1 
ATOM   1961 H H      . TYR   A 1 140 ? -14.408 4.357   -16.004 1.00 28.15 ? 157 TYR   A H      1 
ATOM   1962 H HA     . TYR   A 1 140 ? -15.084 4.120   -18.538 1.00 28.45 ? 157 TYR   A HA     1 
ATOM   1963 H HB2    . TYR   A 1 140 ? -14.870 2.229   -17.193 1.00 27.93 ? 157 TYR   A HB2    1 
ATOM   1964 H HB3    . TYR   A 1 140 ? -16.156 2.675   -16.373 1.00 27.93 ? 157 TYR   A HB3    1 
ATOM   1965 H HD1    . TYR   A 1 140 ? -18.369 2.449   -17.397 1.00 28.34 ? 157 TYR   A HD1    1 
ATOM   1966 H HD2    . TYR   A 1 140 ? -15.125 1.156   -19.342 1.00 27.91 ? 157 TYR   A HD2    1 
ATOM   1967 H HE1    . TYR   A 1 140 ? -19.723 1.235   -18.843 1.00 27.48 ? 157 TYR   A HE1    1 
ATOM   1968 H HE2    . TYR   A 1 140 ? -16.471 -0.070  -20.779 1.00 28.04 ? 157 TYR   A HE2    1 
ATOM   1969 H HH     . TYR   A 1 140 ? -18.569 -0.638  -21.385 1.00 32.09 ? 157 TYR   A HH     1 
ATOM   1970 N N      . PHE   A 1 141 ? -17.349 5.318   -16.598 1.00 23.70 ? 158 PHE   A N      1 
ATOM   1971 C CA     . PHE   A 1 141 ? -18.642 5.990   -16.544 1.00 23.40 ? 158 PHE   A CA     1 
ATOM   1972 C C      . PHE   A 1 141 ? -18.513 7.514   -16.589 1.00 34.46 ? 158 PHE   A C      1 
ATOM   1973 O O      . PHE   A 1 141 ? -19.509 8.209   -16.367 1.00 35.80 ? 158 PHE   A O      1 
ATOM   1974 C CB     . PHE   A 1 141 ? -19.454 5.555   -15.304 1.00 28.24 ? 158 PHE   A CB     1 
ATOM   1975 C CG     . PHE   A 1 141 ? -19.904 4.123   -15.356 1.00 24.49 ? 158 PHE   A CG     1 
ATOM   1976 C CD1    . PHE   A 1 141 ? -21.079 3.784   -16.017 1.00 26.52 ? 158 PHE   A CD1    1 
ATOM   1977 C CD2    . PHE   A 1 141 ? -19.169 3.129   -14.757 1.00 24.45 ? 158 PHE   A CD2    1 
ATOM   1978 C CE1    . PHE   A 1 141 ? -21.496 2.476   -16.093 1.00 26.02 ? 158 PHE   A CE1    1 
ATOM   1979 C CE2    . PHE   A 1 141 ? -19.595 1.819   -14.828 1.00 22.79 ? 158 PHE   A CE2    1 
ATOM   1980 C CZ     . PHE   A 1 141 ? -20.762 1.500   -15.499 1.00 23.64 ? 158 PHE   A CZ     1 
ATOM   1981 H H      . PHE   A 1 141 ? -16.972 5.236   -15.830 1.00 28.44 ? 158 PHE   A H      1 
ATOM   1982 H HA     . PHE   A 1 141 ? -19.154 5.709   -17.318 1.00 28.07 ? 158 PHE   A HA     1 
ATOM   1983 H HB2    . PHE   A 1 141 ? -18.902 5.666   -14.514 1.00 33.88 ? 158 PHE   A HB2    1 
ATOM   1984 H HB3    . PHE   A 1 141 ? -20.245 6.113   -15.237 1.00 33.88 ? 158 PHE   A HB3    1 
ATOM   1985 H HD1    . PHE   A 1 141 ? -21.590 4.452   -16.413 1.00 31.83 ? 158 PHE   A HD1    1 
ATOM   1986 H HD2    . PHE   A 1 141 ? -18.384 3.339   -14.303 1.00 29.34 ? 158 PHE   A HD2    1 
ATOM   1987 H HE1    . PHE   A 1 141 ? -22.278 2.261   -16.548 1.00 31.22 ? 158 PHE   A HE1    1 
ATOM   1988 H HE2    . PHE   A 1 141 ? -19.096 1.147   -14.423 1.00 27.35 ? 158 PHE   A HE2    1 
ATOM   1989 H HZ     . PHE   A 1 141 ? -21.044 0.615   -15.545 1.00 28.37 ? 158 PHE   A HZ     1 
ATOM   1990 N N      . GLU   A 1 142 ? -17.316 8.037   -16.890 1.00 29.85 ? 159 GLU   A N      1 
ATOM   1991 C CA     . GLU   A 1 142 ? -17.018 9.472   -16.924 1.00 38.08 ? 159 GLU   A CA     1 
ATOM   1992 C C      . GLU   A 1 142 ? -17.908 10.135  -17.949 1.00 38.49 ? 159 GLU   A C      1 
ATOM   1993 O O      . GLU   A 1 142 ? -17.978 9.695   -19.092 1.00 43.33 ? 159 GLU   A O      1 
ATOM   1994 C CB     . GLU   A 1 142 ? -15.532 9.666   -17.276 1.00 36.37 ? 159 GLU   A CB     1 
ATOM   1995 C CG     . GLU   A 1 142 ? -14.999 11.090  -17.323 1.00 51.73 ? 159 GLU   A CG     1 
ATOM   1996 C CD     . GLU   A 1 142 ? -13.489 11.125  -17.571 1.00 55.08 ? 159 GLU   A CD     1 
ATOM   1997 O OE1    . GLU   A 1 142 ? -12.879 10.039  -17.684 1.00 47.84 ? 159 GLU   A OE1    1 
ATOM   1998 O OE2    . GLU   A 1 142 ? -12.916 12.232  -17.658 1.00 63.92 ? 159 GLU   A OE2    1 
ATOM   1999 H H      . GLU   A 1 142 ? -16.630 7.558   -17.086 1.00 35.82 ? 159 GLU   A H      1 
ATOM   2000 H HA     . GLU   A 1 142 ? -17.177 9.891   -16.064 1.00 45.69 ? 159 GLU   A HA     1 
ATOM   2001 H HB2    . GLU   A 1 142 ? -15.006 9.193   -16.613 1.00 43.65 ? 159 GLU   A HB2    1 
ATOM   2002 H HB3    . GLU   A 1 142 ? -15.382 9.282   -18.154 1.00 43.65 ? 159 GLU   A HB3    1 
ATOM   2003 H HG2    . GLU   A 1 142 ? -15.435 11.571  -18.044 1.00 62.08 ? 159 GLU   A HG2    1 
ATOM   2004 H HG3    . GLU   A 1 142 ? -15.178 11.527  -16.476 1.00 62.08 ? 159 GLU   A HG3    1 
ATOM   2005 N N      . PRO   B 1 4   ? -25.459 -36.985 -34.405 1.00 32.19 ? 21  PRO   B N      1 
ATOM   2006 C CA     . PRO   B 1 4   ? -25.806 -35.945 -33.421 1.00 36.02 ? 21  PRO   B CA     1 
ATOM   2007 C C      . PRO   B 1 4   ? -24.580 -35.293 -32.785 1.00 37.06 ? 21  PRO   B C      1 
ATOM   2008 O O      . PRO   B 1 4   ? -23.779 -35.982 -32.156 1.00 35.16 ? 21  PRO   B O      1 
ATOM   2009 C CB     . PRO   B 1 4   ? -26.535 -36.722 -32.322 1.00 38.89 ? 21  PRO   B CB     1 
ATOM   2010 C CG     . PRO   B 1 4   ? -26.034 -38.097 -32.446 1.00 38.83 ? 21  PRO   B CG     1 
ATOM   2011 C CD     . PRO   B 1 4   ? -25.729 -38.334 -33.893 1.00 40.30 ? 21  PRO   B CD     1 
ATOM   2012 H HA     . PRO   B 1 4   ? -26.380 -35.284 -33.839 1.00 43.22 ? 21  PRO   B HA     1 
ATOM   2013 H HB2    . PRO   B 1 4   ? -26.319 -36.349 -31.453 1.00 46.67 ? 21  PRO   B HB2    1 
ATOM   2014 H HB3    . PRO   B 1 4   ? -27.493 -36.685 -32.470 1.00 46.67 ? 21  PRO   B HB3    1 
ATOM   2015 H HG2    . PRO   B 1 4   ? -25.231 -38.196 -31.911 1.00 46.59 ? 21  PRO   B HG2    1 
ATOM   2016 H HG3    . PRO   B 1 4   ? -26.716 -38.716 -32.139 1.00 46.59 ? 21  PRO   B HG3    1 
ATOM   2017 H HD2    . PRO   B 1 4   ? -24.950 -38.903 -33.993 1.00 48.36 ? 21  PRO   B HD2    1 
ATOM   2018 H HD3    . PRO   B 1 4   ? -26.490 -38.729 -34.347 1.00 48.36 ? 21  PRO   B HD3    1 
ATOM   2019 N N      . ALA   B 1 5   ? -24.456 -33.979 -32.903 1.00 27.59 ? 22  ALA   B N      1 
ATOM   2020 C CA     . ALA   B 1 5   ? -23.229 -33.285 -32.552 1.00 26.03 ? 22  ALA   B CA     1 
ATOM   2021 C C      . ALA   B 1 5   ? -23.289 -32.851 -31.091 1.00 24.63 ? 22  ALA   B C      1 
ATOM   2022 O O      . ALA   B 1 5   ? -24.254 -32.200 -30.667 1.00 24.56 ? 22  ALA   B O      1 
ATOM   2023 C CB     . ALA   B 1 5   ? -23.053 -32.072 -33.466 1.00 33.40 ? 22  ALA   B CB     1 
ATOM   2024 H H      . ALA   B 1 5   ? -25.080 -33.459 -33.188 1.00 33.10 ? 22  ALA   B H      1 
ATOM   2025 H HA     . ALA   B 1 5   ? -22.463 -33.870 -32.660 1.00 31.24 ? 22  ALA   B HA     1 
ATOM   2026 H HB1    . ALA   B 1 5   ? -22.218 -31.630 -33.248 1.00 40.08 ? 22  ALA   B HB1    1 
ATOM   2027 H HB2    . ALA   B 1 5   ? -23.038 -32.371 -34.389 1.00 40.08 ? 22  ALA   B HB2    1 
ATOM   2028 H HB3    . ALA   B 1 5   ? -23.796 -31.463 -33.329 1.00 40.08 ? 22  ALA   B HB3    1 
ATOM   2029 N N      . LEU   B 1 6   ? -22.245 -33.183 -30.325 1.00 22.78 ? 23  LEU   B N      1 
ATOM   2030 C CA     . LEU   B 1 6   ? -22.206 -32.945 -28.889 1.00 21.96 ? 23  LEU   B CA     1 
ATOM   2031 C C      . LEU   B 1 6   ? -21.078 -31.992 -28.528 1.00 20.98 ? 23  LEU   B C      1 
ATOM   2032 O O      . LEU   B 1 6   ? -19.965 -32.092 -29.061 1.00 24.58 ? 23  LEU   B O      1 
ATOM   2033 C CB     . LEU   B 1 6   ? -22.005 -34.270 -28.130 1.00 23.85 ? 23  LEU   B CB     1 
ATOM   2034 C CG     . LEU   B 1 6   ? -22.997 -35.375 -28.477 1.00 25.09 ? 23  LEU   B CG     1 
ATOM   2035 C CD1    . LEU   B 1 6   ? -22.507 -36.755 -28.058 1.00 29.78 ? 23  LEU   B CD1    1 
ATOM   2036 C CD2    . LEU   B 1 6   ? -24.363 -35.114 -27.857 1.00 29.12 ? 23  LEU   B CD2    1 
ATOM   2037 H H      . LEU   B 1 6   ? -21.532 -33.557 -30.627 1.00 27.34 ? 23  LEU   B H      1 
ATOM   2038 H HA     . LEU   B 1 6   ? -23.041 -32.533 -28.617 1.00 26.35 ? 23  LEU   B HA     1 
ATOM   2039 H HB2    . LEU   B 1 6   ? -21.117 -34.605 -28.330 1.00 28.61 ? 23  LEU   B HB2    1 
ATOM   2040 H HB3    . LEU   B 1 6   ? -22.088 -34.094 -27.180 1.00 28.61 ? 23  LEU   B HB3    1 
ATOM   2041 H HG     . LEU   B 1 6   ? -23.084 -35.372 -29.443 1.00 30.11 ? 23  LEU   B HG     1 
ATOM   2042 H HD11   . LEU   B 1 6   ? -23.164 -37.417 -28.321 1.00 35.74 ? 23  LEU   B HD11   1 
ATOM   2043 H HD12   . LEU   B 1 6   ? -21.660 -36.936 -28.496 1.00 35.74 ? 23  LEU   B HD12   1 
ATOM   2044 H HD13   . LEU   B 1 6   ? -22.390 -36.769 -27.095 1.00 35.74 ? 23  LEU   B HD13   1 
ATOM   2045 H HD21   . LEU   B 1 6   ? -24.928 -35.890 -28.001 1.00 34.94 ? 23  LEU   B HD21   1 
ATOM   2046 H HD22   . LEU   B 1 6   ? -24.253 -34.956 -26.907 1.00 34.94 ? 23  LEU   B HD22   1 
ATOM   2047 H HD23   . LEU   B 1 6   ? -24.758 -34.335 -28.279 1.00 34.94 ? 23  LEU   B HD23   1 
ATOM   2048 N N      . TYR   B 1 7   ? -21.360 -31.083 -27.605 1.00 18.96 ? 24  TYR   B N      1 
ATOM   2049 C CA     . TYR   B 1 7   ? -20.387 -30.117 -27.110 1.00 19.44 ? 24  TYR   B CA     1 
ATOM   2050 C C      . TYR   B 1 7   ? -20.245 -30.332 -25.614 1.00 18.27 ? 24  TYR   B C      1 
ATOM   2051 O O      . TYR   B 1 7   ? -21.228 -30.217 -24.876 1.00 18.99 ? 24  TYR   B O      1 
ATOM   2052 C CB     . TYR   B 1 7   ? -20.880 -28.706 -27.431 1.00 20.92 ? 24  TYR   B CB     1 
ATOM   2053 C CG     . TYR   B 1 7   ? -19.919 -27.588 -27.092 1.00 21.80 ? 24  TYR   B CG     1 
ATOM   2054 C CD1    . TYR   B 1 7   ? -19.675 -27.219 -25.780 1.00 19.91 ? 24  TYR   B CD1    1 
ATOM   2055 C CD2    . TYR   B 1 7   ? -19.265 -26.890 -28.099 1.00 24.35 ? 24  TYR   B CD2    1 
ATOM   2056 C CE1    . TYR   B 1 7   ? -18.794 -26.190 -25.477 1.00 20.24 ? 24  TYR   B CE1    1 
ATOM   2057 C CE2    . TYR   B 1 7   ? -18.391 -25.862 -27.807 1.00 26.84 ? 24  TYR   B CE2    1 
ATOM   2058 C CZ     . TYR   B 1 7   ? -18.164 -25.513 -26.498 1.00 25.08 ? 24  TYR   B CZ     1 
ATOM   2059 O OH     . TYR   B 1 7   ? -17.294 -24.484 -26.234 1.00 26.79 ? 24  TYR   B OH     1 
ATOM   2060 H H      . TYR   B 1 7   ? -22.134 -31.003 -27.238 1.00 22.75 ? 24  TYR   B H      1 
ATOM   2061 H HA     . TYR   B 1 7   ? -19.514 -30.242 -27.513 1.00 23.33 ? 24  TYR   B HA     1 
ATOM   2062 H HB2    . TYR   B 1 7   ? -21.058 -28.655 -28.383 1.00 25.10 ? 24  TYR   B HB2    1 
ATOM   2063 H HB3    . TYR   B 1 7   ? -21.696 -28.547 -26.932 1.00 25.10 ? 24  TYR   B HB3    1 
ATOM   2064 H HD1    . TYR   B 1 7   ? -20.109 -27.668 -25.090 1.00 23.90 ? 24  TYR   B HD1    1 
ATOM   2065 H HD2    . TYR   B 1 7   ? -19.419 -27.120 -28.987 1.00 29.23 ? 24  TYR   B HD2    1 
ATOM   2066 H HE1    . TYR   B 1 7   ? -18.629 -25.960 -24.591 1.00 24.29 ? 24  TYR   B HE1    1 
ATOM   2067 H HE2    . TYR   B 1 7   ? -17.959 -25.408 -28.493 1.00 32.21 ? 24  TYR   B HE2    1 
ATOM   2068 H HH     . TYR   B 1 7   ? -17.236 -24.361 -25.405 1.00 32.15 ? 24  TYR   B HH     1 
ATOM   2069 N N      . PHE   B 1 8   ? -19.030 -30.625 -25.156 1.00 17.45 ? 25  PHE   B N      1 
ATOM   2070 C CA     . PHE   B 1 8   ? -18.781 -30.856 -23.735 1.00 17.08 ? 25  PHE   B CA     1 
ATOM   2071 C C      . PHE   B 1 8   ? -18.119 -29.648 -23.070 1.00 15.82 ? 25  PHE   B C      1 
ATOM   2072 O O      . PHE   B 1 8   ? -17.135 -29.101 -23.596 1.00 17.35 ? 25  PHE   B O      1 
ATOM   2073 C CB     . PHE   B 1 8   ? -17.905 -32.105 -23.505 1.00 17.67 ? 25  PHE   B CB     1 
ATOM   2074 C CG     . PHE   B 1 8   ? -17.561 -32.308 -22.051 1.00 16.13 ? 25  PHE   B CG     1 
ATOM   2075 C CD1    . PHE   B 1 8   ? -18.515 -32.821 -21.178 1.00 17.84 ? 25  PHE   B CD1    1 
ATOM   2076 C CD2    . PHE   B 1 8   ? -16.352 -31.883 -21.538 1.00 17.83 ? 25  PHE   B CD2    1 
ATOM   2077 C CE1    . PHE   B 1 8   ? -18.232 -32.935 -19.820 1.00 18.00 ? 25  PHE   B CE1    1 
ATOM   2078 C CE2    . PHE   B 1 8   ? -16.074 -32.010 -20.182 1.00 17.93 ? 25  PHE   B CE2    1 
ATOM   2079 C CZ     . PHE   B 1 8   ? -17.021 -32.529 -19.326 1.00 16.96 ? 25  PHE   B CZ     1 
ATOM   2080 H H      . PHE   B 1 8   ? -18.330 -30.697 -25.652 1.00 20.94 ? 25  PHE   B H      1 
ATOM   2081 H HA     . PHE   B 1 8   ? -19.644 -30.990 -23.315 1.00 20.49 ? 25  PHE   B HA     1 
ATOM   2082 H HB2    . PHE   B 1 8   ? -18.384 -32.890 -23.814 1.00 21.21 ? 25  PHE   B HB2    1 
ATOM   2083 H HB3    . PHE   B 1 8   ? -17.076 -32.007 -24.000 1.00 21.21 ? 25  PHE   B HB3    1 
ATOM   2084 H HD1    . PHE   B 1 8   ? -19.345 -33.088 -21.502 1.00 21.41 ? 25  PHE   B HD1    1 
ATOM   2085 H HD2    . PHE   B 1 8   ? -15.717 -31.508 -22.104 1.00 21.40 ? 25  PHE   B HD2    1 
ATOM   2086 H HE1    . PHE   B 1 8   ? -18.870 -33.289 -19.243 1.00 21.60 ? 25  PHE   B HE1    1 
ATOM   2087 H HE2    . PHE   B 1 8   ? -15.247 -31.745 -19.852 1.00 21.51 ? 25  PHE   B HE2    1 
ATOM   2088 H HZ     . PHE   B 1 8   ? -16.838 -32.602 -18.417 1.00 20.36 ? 25  PHE   B HZ     1 
ATOM   2089 N N      . CYS   B 1 9   ? -18.622 -29.280 -21.893 1.00 14.11 ? 26  CYS   B N      1 
ATOM   2090 C CA     . CYS   B 1 9   ? -18.085 -28.189 -21.095 1.00 13.31 ? 26  CYS   B CA     1 
ATOM   2091 C C      . CYS   B 1 9   ? -17.618 -28.699 -19.734 1.00 12.88 ? 26  CYS   B C      1 
ATOM   2092 O O      . CYS   B 1 9   ? -18.329 -29.439 -19.063 1.00 13.75 ? 26  CYS   B O      1 
ATOM   2093 C CB     . CYS   B 1 9   ? -19.162 -27.122 -20.780 1.00 13.93 ? 26  CYS   B CB     1 
ATOM   2094 S SG     . CYS   B 1 9   ? -20.238 -26.652 -22.118 1.00 15.94 ? 26  CYS   B SG     1 
ATOM   2095 H H      . CYS   B 1 9   ? -19.298 -29.664 -21.526 1.00 16.93 ? 26  CYS   B H      1 
ATOM   2096 H HA     . CYS   B 1 9   ? -17.348 -27.808 -21.598 1.00 15.97 ? 26  CYS   B HA     1 
ATOM   2097 H HB2    . CYS   B 1 9   ? -19.726 -27.465 -20.069 1.00 16.72 ? 26  CYS   B HB2    1 
ATOM   2098 H HB3    . CYS   B 1 9   ? -18.709 -26.317 -20.484 1.00 16.72 ? 26  CYS   B HB3    1 
ATOM   2099 H HG     . CYS   B 1 9   ? -19.613 -26.008 -22.915 1.00 19.12 ? 26  CYS   B HG     1 
ATOM   2100 N N      . GLY   B 1 10  ? -16.439 -28.257 -19.301 1.00 13.55 ? 27  GLY   B N      1 
ATOM   2101 C CA     . GLY   B 1 10  ? -15.946 -28.514 -17.956 1.00 12.92 ? 27  GLY   B CA     1 
ATOM   2102 C C      . GLY   B 1 10  ? -14.811 -27.564 -17.645 1.00 12.40 ? 27  GLY   B C      1 
ATOM   2103 O O      . GLY   B 1 10  ? -14.143 -27.069 -18.556 1.00 14.12 ? 27  GLY   B O      1 
ATOM   2104 H H      . GLY   B 1 10  ? -15.894 -27.796 -19.780 1.00 16.26 ? 27  GLY   B H      1 
ATOM   2105 H HA2    . GLY   B 1 10  ? -16.657 -28.381 -17.310 1.00 15.50 ? 27  GLY   B HA2    1 
ATOM   2106 H HA3    . GLY   B 1 10  ? -15.624 -29.427 -17.888 1.00 15.50 ? 27  GLY   B HA3    1 
ATOM   2107 N N      . SER   B 1 11  ? -14.603 -27.277 -16.361 1.00 11.79 ? 28  SER   B N      1 
ATOM   2108 C CA     . SER   B 1 11  ? -13.640 -26.266 -15.942 1.00 11.64 ? 28  SER   B CA     1 
ATOM   2109 C C      . SER   B 1 11  ? -12.226 -26.562 -16.411 1.00 11.99 ? 28  SER   B C      1 
ATOM   2110 O O      . SER   B 1 11  ? -11.760 -27.702 -16.346 1.00 12.56 ? 28  SER   B O      1 
ATOM   2111 C CB     . SER   B 1 11  ? -13.661 -26.248 -14.418 1.00 11.78 ? 28  SER   B CB     1 
ATOM   2112 O OG     . SER   B 1 11  ? -12.751 -25.281 -13.895 1.00 12.41 ? 28  SER   B OG     1 
ATOM   2113 H H      . SER   B 1 11  ? -15.011 -27.659 -15.707 1.00 14.15 ? 28  SER   B H      1 
ATOM   2114 H HA     . SER   B 1 11  ? -13.881 -25.407 -16.324 1.00 13.97 ? 28  SER   B HA     1 
ATOM   2115 H HB2    . SER   B 1 11  ? -14.557 -26.029 -14.119 1.00 14.13 ? 28  SER   B HB2    1 
ATOM   2116 H HB3    . SER   B 1 11  ? -13.408 -27.126 -14.091 1.00 14.13 ? 28  SER   B HB3    1 
ATOM   2117 H HG     . SER   B 1 11  ? -11.961 -25.496 -14.087 1.00 14.90 ? 28  SER   B HG     1 
ATOM   2118 N N      . ILE   B 1 12  ? -11.513 -25.507 -16.832 1.00 12.08 ? 29  ILE   B N      1 
ATOM   2119 C CA     . ILE   B 1 12  ? -10.076 -25.560 -17.102 1.00 13.16 ? 29  ILE   B CA     1 
ATOM   2120 C C      . ILE   B 1 12  ? -9.400  -24.522 -16.220 1.00 14.20 ? 29  ILE   B C      1 
ATOM   2121 O O      . ILE   B 1 12  ? -8.779  -24.872 -15.212 1.00 14.37 ? 29  ILE   B O      1 
ATOM   2122 C CB     . ILE   B 1 12  ? -9.755  -25.359 -18.588 1.00 14.29 ? 29  ILE   B CB     1 
ATOM   2123 C CG1    . ILE   B 1 12  ? -10.411 -26.449 -19.427 1.00 16.22 ? 29  ILE   B CG1    1 
ATOM   2124 C CG2    . ILE   B 1 12  ? -8.242  -25.392 -18.790 1.00 16.61 ? 29  ILE   B CG2    1 
ATOM   2125 C CD1    . ILE   B 1 12  ? -10.161 -26.333 -20.893 1.00 19.53 ? 29  ILE   B CD1    1 
ATOM   2126 H H      . ILE   B 1 12  ? -11.852 -24.729 -16.973 1.00 14.49 ? 29  ILE   B H      1 
ATOM   2127 H HA     . ILE   B 1 12  ? -9.734  -26.438 -16.871 1.00 15.79 ? 29  ILE   B HA     1 
ATOM   2128 H HB     . ILE   B 1 12  ? -10.105 -24.499 -18.868 1.00 17.15 ? 29  ILE   B HB     1 
ATOM   2129 H HG12   . ILE   B 1 12  ? -10.069 -27.310 -19.139 1.00 19.46 ? 29  ILE   B HG12   1 
ATOM   2130 H HG13   . ILE   B 1 12  ? -11.370 -26.410 -19.289 1.00 19.46 ? 29  ILE   B HG13   1 
ATOM   2131 H HG21   . ILE   B 1 12  ? -8.048  -25.288 -19.735 1.00 19.93 ? 29  ILE   B HG21   1 
ATOM   2132 H HG22   . ILE   B 1 12  ? -7.841  -24.665 -18.288 1.00 19.93 ? 29  ILE   B HG22   1 
ATOM   2133 H HG23   . ILE   B 1 12  ? -7.899  -26.242 -18.474 1.00 19.93 ? 29  ILE   B HG23   1 
ATOM   2134 H HD11   . ILE   B 1 12  ? -10.786 -26.904 -21.367 1.00 23.43 ? 29  ILE   B HD11   1 
ATOM   2135 H HD12   . ILE   B 1 12  ? -10.287 -25.409 -21.163 1.00 23.43 ? 29  ILE   B HD12   1 
ATOM   2136 H HD13   . ILE   B 1 12  ? -9.251  -26.611 -21.082 1.00 23.43 ? 29  ILE   B HD13   1 
ATOM   2137 N N      . ARG   B 1 13  ? -9.545  -23.239 -16.558 1.00 13.19 ? 30  ARG   B N      1 
ATOM   2138 C CA     . ARG   B 1 13  ? -8.920  -22.203 -15.741 1.00 13.62 ? 30  ARG   B CA     1 
ATOM   2139 C C      . ARG   B 1 13  ? -9.649  -22.004 -14.421 1.00 13.46 ? 30  ARG   B C      1 
ATOM   2140 O O      . ARG   B 1 13  ? -9.055  -21.446 -13.483 1.00 15.72 ? 30  ARG   B O      1 
ATOM   2141 C CB     . ARG   B 1 13  ? -8.763  -20.912 -16.536 1.00 14.47 ? 30  ARG   B CB     1 
ATOM   2142 C CG     . ARG   B 1 13  ? -7.827  -21.080 -17.731 1.00 15.66 ? 30  ARG   B CG     1 
ATOM   2143 C CD     . ARG   B 1 13  ? -7.614  -19.808 -18.487 1.00 14.70 ? 30  ARG   B CD     1 
ATOM   2144 N NE     . ARG   B 1 13  ? -6.778  -20.048 -19.659 0.85 15.73 ? 30  ARG   B NE     1 
ATOM   2145 C CZ     . ARG   B 1 13  ? -6.644  -19.204 -20.672 1.00 18.04 ? 30  ARG   B CZ     1 
ATOM   2146 N NH1    . ARG   B 1 13  ? -7.178  -17.996 -20.638 0.90 16.64 ? 30  ARG   B NH1    1 
ATOM   2147 N NH2    . ARG   B 1 13  ? -5.977  -19.589 -21.761 1.00 19.67 ? 30  ARG   B NH2    1 
ATOM   2148 H H      . ARG   B 1 13  ? -9.988  -22.952 -17.237 1.00 15.83 ? 30  ARG   B H      1 
ATOM   2149 H HA     . ARG   B 1 13  ? -8.015  -22.469 -15.511 1.00 16.34 ? 30  ARG   B HA     1 
ATOM   2150 H HB2    . ARG   B 1 13  ? -9.632  -20.637 -16.869 1.00 17.36 ? 30  ARG   B HB2    1 
ATOM   2151 H HB3    . ARG   B 1 13  ? -8.396  -20.226 -15.958 1.00 17.36 ? 30  ARG   B HB3    1 
ATOM   2152 H HG2    . ARG   B 1 13  ? -6.963  -21.388 -17.415 1.00 18.79 ? 30  ARG   B HG2    1 
ATOM   2153 H HG3    . ARG   B 1 13  ? -8.208  -21.730 -18.342 1.00 18.79 ? 30  ARG   B HG3    1 
ATOM   2154 H HD2    . ARG   B 1 13  ? -8.469  -19.458 -18.782 1.00 17.64 ? 30  ARG   B HD2    1 
ATOM   2155 H HD3    . ARG   B 1 13  ? -7.170  -19.161 -17.916 1.00 17.64 ? 30  ARG   B HD3    1 
ATOM   2156 H HE     . ARG   B 1 13  ? -6.342  -20.788 -19.695 0.80 18.87 ? 30  ARG   B HE     1 
ATOM   2157 H HH11   . ARG   B 1 13  ? -7.623  -17.743 -19.947 0.88 19.97 ? 30  ARG   B HH11   1 
ATOM   2158 H HH12   . ARG   B 1 13  ? -7.080  -17.464 -21.305 1.00 19.97 ? 30  ARG   B HH12   1 
ATOM   2159 H HH21   . ARG   B 1 13  ? -5.638  -20.379 -21.801 1.00 23.60 ? 30  ARG   B HH21   1 
ATOM   2160 H HH22   . ARG   B 1 13  ? -5.886  -19.048 -22.423 1.00 23.60 ? 30  ARG   B HH22   1 
ATOM   2161 N N      . GLY   B 1 14  ? -10.887 -22.490 -14.288 1.00 13.01 ? 31  GLY   B N      1 
ATOM   2162 C CA     . GLY   B 1 14  ? -11.479 -22.573 -12.967 1.00 12.95 ? 31  GLY   B CA     1 
ATOM   2163 C C      . GLY   B 1 14  ? -10.828 -23.603 -12.066 1.00 14.55 ? 31  GLY   B C      1 
ATOM   2164 O O      . GLY   B 1 14  ? -11.087 -23.608 -10.857 1.00 16.24 ? 31  GLY   B O      1 
ATOM   2165 H H      . GLY   B 1 14  ? -11.384 -22.767 -14.933 1.00 15.61 ? 31  GLY   B H      1 
ATOM   2166 H HA2    . GLY   B 1 14  ? -11.406 -21.708 -12.535 1.00 15.54 ? 31  GLY   B HA2    1 
ATOM   2167 H HA3    . GLY   B 1 14  ? -12.417 -22.803 -13.056 1.00 15.54 ? 31  GLY   B HA3    1 
ATOM   2168 N N      . GLY   B 1 15  ? -10.010 -24.486 -12.623 1.00 13.89 ? 32  GLY   B N      1 
ATOM   2169 C CA     . GLY   B 1 15  ? -9.384  -25.580 -11.902 1.00 15.44 ? 32  GLY   B CA     1 
ATOM   2170 C C      . GLY   B 1 15  ? -9.644  -26.883 -12.634 1.00 15.55 ? 32  GLY   B C      1 
ATOM   2171 O O      . GLY   B 1 15  ? -10.740 -27.092 -13.166 1.00 14.54 ? 32  GLY   B O      1 
ATOM   2172 H H      . GLY   B 1 15  ? -9.793  -24.471 -13.455 1.00 16.66 ? 32  GLY   B H      1 
ATOM   2173 H HA2    . GLY   B 1 15  ? -8.427  -25.434 -11.842 1.00 18.53 ? 32  GLY   B HA2    1 
ATOM   2174 H HA3    . GLY   B 1 15  ? -9.751  -25.639 -11.006 1.00 18.53 ? 32  GLY   B HA3    1 
ATOM   2175 N N      . ARG   B 1 16  ? -8.650  -27.775 -12.657 1.00 15.53 ? 33  ARG   B N      1 
ATOM   2176 C CA     . ARG   B 1 16  ? -8.704  -29.033 -13.393 1.00 14.99 ? 33  ARG   B CA     1 
ATOM   2177 C C      . ARG   B 1 16  ? -8.891  -30.224 -12.462 1.00 16.46 ? 33  ARG   B C      1 
ATOM   2178 O O      . ARG   B 1 16  ? -8.566  -31.362 -12.829 1.00 16.56 ? 33  ARG   B O      1 
ATOM   2179 C CB     . ARG   B 1 16  ? -7.453  -29.174 -14.251 1.00 16.94 ? 33  ARG   B CB     1 
ATOM   2180 C CG     . ARG   B 1 16  ? -7.203  -27.934 -15.080 1.00 17.73 ? 33  ARG   B CG     1 
ATOM   2181 C CD     . ARG   B 1 16  ? -6.333  -28.201 -16.249 1.00 20.57 ? 33  ARG   B CD     1 
ATOM   2182 N NE     . ARG   B 1 16  ? -7.057  -28.944 -17.269 1.00 18.58 ? 33  ARG   B NE     1 
ATOM   2183 C CZ     . ARG   B 1 16  ? -6.547  -29.237 -18.448 1.00 21.12 ? 33  ARG   B CZ     1 
ATOM   2184 N NH1    . ARG   B 1 16  ? -5.326  -28.864 -18.773 1.00 24.63 ? 33  ARG   B NH1    1 
ATOM   2185 N NH2    . ARG   B 1 16  ? -7.274  -29.924 -19.317 1.00 22.27 ? 33  ARG   B NH2    1 
ATOM   2186 H H      . ARG   B 1 16  ? -7.908  -27.666 -12.237 1.00 18.64 ? 33  ARG   B H      1 
ATOM   2187 H HA     . ARG   B 1 16  ? -9.465  -29.029 -13.995 1.00 17.99 ? 33  ARG   B HA     1 
ATOM   2188 H HB2    . ARG   B 1 16  ? -6.685  -29.317 -13.676 1.00 20.33 ? 33  ARG   B HB2    1 
ATOM   2189 H HB3    . ARG   B 1 16  ? -7.561  -29.928 -14.852 1.00 20.33 ? 33  ARG   B HB3    1 
ATOM   2190 H HG2    . ARG   B 1 16  ? -8.051  -27.595 -15.408 1.00 21.27 ? 33  ARG   B HG2    1 
ATOM   2191 H HG3    . ARG   B 1 16  ? -6.769  -27.265 -14.528 1.00 21.27 ? 33  ARG   B HG3    1 
ATOM   2192 H HD2    . ARG   B 1 16  ? -6.037  -27.360 -16.631 1.00 24.69 ? 33  ARG   B HD2    1 
ATOM   2193 H HD3    . ARG   B 1 16  ? -5.567  -28.726 -15.969 1.00 24.69 ? 33  ARG   B HD3    1 
ATOM   2194 H HE     . ARG   B 1 16  ? -7.857  -29.206 -17.094 1.00 22.30 ? 33  ARG   B HE     1 
ATOM   2195 H HH11   . ARG   B 1 16  ? -4.848  -28.422 -18.212 1.00 29.55 ? 33  ARG   B HH11   1 
ATOM   2196 H HH12   . ARG   B 1 16  ? -5.007  -29.063 -19.547 1.00 29.55 ? 33  ARG   B HH12   1 
ATOM   2197 H HH21   . ARG   B 1 16  ? -8.070  -30.175 -19.110 1.00 26.73 ? 33  ARG   B HH21   1 
ATOM   2198 H HH22   . ARG   B 1 16  ? -6.949  -30.120 -20.089 1.00 26.73 ? 33  ARG   B HH22   1 
ATOM   2199 N N      . GLU   B 1 17  ? -9.466  -29.983 -11.280 1.00 15.58 ? 34  GLU   B N      1 
ATOM   2200 C CA     . GLU   B 1 17  ? -9.658  -31.039 -10.299 1.00 16.97 ? 34  GLU   B CA     1 
ATOM   2201 C C      . GLU   B 1 17  ? -10.396 -32.245 -10.873 1.00 16.35 ? 34  GLU   B C      1 
ATOM   2202 O O      . GLU   B 1 17  ? -10.063 -33.392 -10.545 1.00 17.41 ? 34  GLU   B O      1 
ATOM   2203 C CB     . GLU   B 1 17  ? -10.399 -30.487 -9.075  1.00 19.13 ? 34  GLU   B CB     1 
ATOM   2204 C CG     . GLU   B 1 17  ? -9.605  -29.485 -8.242  1.00 21.95 ? 34  GLU   B CG     1 
ATOM   2205 C CD     . GLU   B 1 17  ? -9.798  -28.034 -8.660  1.00 19.52 ? 34  GLU   B CD     1 
ATOM   2206 O OE1    . GLU   B 1 17  ? -10.066 -27.742 -9.837  1.00 18.14 ? 34  GLU   B OE1    1 
ATOM   2207 O OE2    . GLU   B 1 17  ? -9.658  -27.155 -7.775  1.00 23.80 ? 34  GLU   B OE2    1 
ATOM   2208 H H      . GLU   B 1 17  ? -9.753  -29.213 -11.026 1.00 18.69 ? 34  GLU   B H      1 
ATOM   2209 H HA     . GLU   B 1 17  ? -8.783  -31.348 -10.016 1.00 20.37 ? 34  GLU   B HA     1 
ATOM   2210 H HB2    . GLU   B 1 17  ? -11.205 -30.040 -9.379  1.00 22.95 ? 34  GLU   B HB2    1 
ATOM   2211 H HB3    . GLU   B 1 17  ? -10.631 -31.230 -8.495  1.00 22.95 ? 34  GLU   B HB3    1 
ATOM   2212 H HG2    . GLU   B 1 17  ? -9.882  -29.563 -7.315  1.00 26.34 ? 34  GLU   B HG2    1 
ATOM   2213 H HG3    . GLU   B 1 17  ? -8.661  -29.692 -8.324  1.00 26.34 ? 34  GLU   B HG3    1 
ATOM   2214 N N      . ASP   B 1 18  ? -11.382 -32.021 -11.741 1.00 15.31 ? 35  ASP   B N      1 
ATOM   2215 C CA     . ASP   B 1 18  ? -12.236 -33.087 -12.235 1.00 15.40 ? 35  ASP   B CA     1 
ATOM   2216 C C      . ASP   B 1 18  ? -11.847 -33.568 -13.623 1.00 15.02 ? 35  ASP   B C      1 
ATOM   2217 O O      . ASP   B 1 18  ? -12.637 -34.221 -14.290 1.00 16.08 ? 35  ASP   B O      1 
ATOM   2218 C CB     . ASP   B 1 18  ? -13.694 -32.626 -12.236 1.00 15.18 ? 35  ASP   B CB     1 
ATOM   2219 C CG     . ASP   B 1 18  ? -14.276 -32.437 -10.852 1.00 14.50 ? 35  ASP   B CG     1 
ATOM   2220 O OD1    . ASP   B 1 18  ? -13.761 -33.023 -9.877  1.00 16.93 ? 35  ASP   B OD1    1 
ATOM   2221 O OD2    . ASP   B 1 18  ? -15.326 -31.760 -10.745 1.00 14.51 ? 35  ASP   B OD2    1 
ATOM   2222 H H      . ASP   B 1 18  ? -11.575 -31.246 -12.061 1.00 18.38 ? 35  ASP   B H      1 
ATOM   2223 H HA     . ASP   B 1 18  ? -12.150 -33.842 -11.633 1.00 18.49 ? 35  ASP   B HA     1 
ATOM   2224 H HB2    . ASP   B 1 18  ? -13.752 -31.776 -12.699 1.00 18.21 ? 35  ASP   B HB2    1 
ATOM   2225 H HB3    . ASP   B 1 18  ? -14.231 -33.292 -12.694 1.00 18.21 ? 35  ASP   B HB3    1 
ATOM   2226 N N      . ARG   B 1 19  ? -10.616 -33.321 -14.045 1.00 17.76 ? 36  ARG   B N      1 
ATOM   2227 C CA     . ARG   B 1 19  ? -10.174 -33.684 -15.388 1.00 19.12 ? 36  ARG   B CA     1 
ATOM   2228 C C      . ARG   B 1 19  ? -10.373 -35.168 -15.715 1.00 20.01 ? 36  ARG   B C      1 
ATOM   2229 O O      . ARG   B 1 19  ? -10.779 -35.517 -16.833 1.00 21.22 ? 36  ARG   B O      1 
ATOM   2230 C CB     . ARG   B 1 19  ? -8.710  -33.252 -15.535 1.00 20.88 ? 36  ARG   B CB     1 
ATOM   2231 C CG     . ARG   B 1 19  ? -8.099  -33.492 -16.873 1.00 23.56 ? 36  ARG   B CG     1 
ATOM   2232 C CD     . ARG   B 1 19  ? -6.634  -33.122 -16.870 1.00 21.75 ? 36  ARG   B CD     1 
ATOM   2233 N NE     . ARG   B 1 19  ? -6.133  -33.185 -18.229 1.00 24.93 ? 36  ARG   B NE     1 
ATOM   2234 C CZ     . ARG   B 1 19  ? -5.004  -32.635 -18.635 1.00 25.30 ? 36  ARG   B CZ     1 
ATOM   2235 N NH1    . ARG   B 1 19  ? -4.226  -31.969 -17.797 1.00 29.14 ? 36  ARG   B NH1    1 
ATOM   2236 N NH2    . ARG   B 1 19  ? -4.650  -32.754 -19.907 1.00 32.27 ? 36  ARG   B NH2    1 
ATOM   2237 H H      . ARG   B 1 19  ? -10.008 -32.939 -13.571 1.00 21.31 ? 36  ARG   B H      1 
ATOM   2238 H HA     . ARG   B 1 19  ? -10.713 -33.215 -16.044 1.00 22.94 ? 36  ARG   B HA     1 
ATOM   2239 H HB2    . ARG   B 1 19  ? -8.655  -32.300 -15.358 1.00 25.06 ? 36  ARG   B HB2    1 
ATOM   2240 H HB3    . ARG   B 1 19  ? -8.182  -33.742 -14.885 1.00 25.06 ? 36  ARG   B HB3    1 
ATOM   2241 H HG2    . ARG   B 1 19  ? -8.178  -34.431 -17.102 1.00 28.28 ? 36  ARG   B HG2    1 
ATOM   2242 H HG3    . ARG   B 1 19  ? -8.551  -32.949 -17.538 1.00 28.28 ? 36  ARG   B HG3    1 
ATOM   2243 H HD2    . ARG   B 1 19  ? -6.521  -32.219 -16.533 1.00 26.10 ? 36  ARG   B HD2    1 
ATOM   2244 H HD3    . ARG   B 1 19  ? -6.136  -33.746 -16.320 1.00 26.10 ? 36  ARG   B HD3    1 
ATOM   2245 H HE     . ARG   B 1 19  ? -6.604  -33.610 -18.810 1.00 29.92 ? 36  ARG   B HE     1 
ATOM   2246 H HH11   . ARG   B 1 19  ? -4.453  -31.887 -16.972 1.00 34.97 ? 36  ARG   B HH11   1 
ATOM   2247 H HH12   . ARG   B 1 19  ? -3.493  -31.617 -18.078 1.00 34.97 ? 36  ARG   B HH12   1 
ATOM   2248 H HH21   . ARG   B 1 19  ? -5.154  -33.184 -20.455 1.00 38.72 ? 36  ARG   B HH21   1 
ATOM   2249 H HH22   . ARG   B 1 19  ? -3.916  -32.401 -20.184 1.00 38.72 ? 36  ARG   B HH22   1 
ATOM   2250 N N      . THR   B 1 20  ? -10.076 -36.068 -14.776 1.00 20.13 ? 37  THR   B N      1 
ATOM   2251 C CA     . THR   B 1 20  ? -10.245 -37.497 -15.072 1.00 22.27 ? 37  THR   B CA     1 
ATOM   2252 C C      . THR   B 1 20  ? -11.710 -37.832 -15.337 1.00 19.88 ? 37  THR   B C      1 
ATOM   2253 O O      . THR   B 1 20  ? -12.034 -38.586 -16.257 1.00 22.17 ? 37  THR   B O      1 
ATOM   2254 C CB     . THR   B 1 20  ? -9.728  -38.349 -13.911 1.00 25.59 ? 37  THR   B CB     1 
ATOM   2255 O OG1    . THR   B 1 20  ? -8.348  -38.046 -13.709 1.00 28.73 ? 37  THR   B OG1    1 
ATOM   2256 C CG2    . THR   B 1 20  ? -9.897  -39.839 -14.197 1.00 28.69 ? 37  THR   B CG2    1 
ATOM   2257 H H      . THR   B 1 20  ? -9.785  -35.888 -13.987 1.00 24.16 ? 37  THR   B H      1 
ATOM   2258 H HA     . THR   B 1 20  ? -9.723  -37.708 -15.862 1.00 26.73 ? 37  THR   B HA     1 
ATOM   2259 H HB     . THR   B 1 20  ? -10.235 -38.153 -13.107 1.00 30.71 ? 37  THR   B HB     1 
ATOM   2260 H HG1    . THR   B 1 20  ? -8.036  -38.525 -13.094 1.00 34.48 ? 37  THR   B HG1    1 
ATOM   2261 H HG21   . THR   B 1 20  ? -9.398  -40.360 -13.549 1.00 34.42 ? 37  THR   B HG21   1 
ATOM   2262 H HG22   . THR   B 1 20  ? -10.834 -40.084 -14.142 1.00 34.42 ? 37  THR   B HG22   1 
ATOM   2263 H HG23   . THR   B 1 20  ? -9.570  -40.046 -15.087 1.00 34.42 ? 37  THR   B HG23   1 
ATOM   2264 N N      . LEU   B 1 21  ? -12.608 -37.260 -14.544 1.00 20.64 ? 38  LEU   B N      1 
ATOM   2265 C CA     . LEU   B 1 21  ? -14.031 -37.469 -14.754 1.00 19.75 ? 38  LEU   B CA     1 
ATOM   2266 C C      . LEU   B 1 21  ? -14.481 -36.912 -16.099 1.00 19.31 ? 38  LEU   B C      1 
ATOM   2267 O O      . LEU   B 1 21  ? -15.313 -37.518 -16.777 1.00 21.29 ? 38  LEU   B O      1 
ATOM   2268 C CB     . LEU   B 1 21  ? -14.771 -36.780 -13.613 1.00 22.37 ? 38  LEU   B CB     1 
ATOM   2269 C CG     . LEU   B 1 21  ? -16.278 -36.881 -13.531 1.00 27.28 ? 38  LEU   B CG     1 
ATOM   2270 C CD1    . LEU   B 1 21  ? -16.742 -38.312 -13.398 1.00 29.16 ? 38  LEU   B CD1    1 
ATOM   2271 C CD2    . LEU   B 1 21  ? -16.717 -36.037 -12.338 1.00 27.59 ? 38  LEU   B CD2    1 
ATOM   2272 H H      . LEU   B 1 21  ? -12.419 -36.749 -13.879 1.00 24.76 ? 38  LEU   B H      1 
ATOM   2273 H HA     . LEU   B 1 21  ? -14.236 -38.417 -14.754 1.00 23.70 ? 38  LEU   B HA     1 
ATOM   2274 H HB2    . LEU   B 1 21  ? -14.429 -37.147 -12.784 1.00 26.85 ? 38  LEU   B HB2    1 
ATOM   2275 H HB3    . LEU   B 1 21  ? -14.566 -35.833 -13.667 1.00 26.85 ? 38  LEU   B HB3    1 
ATOM   2276 H HG     . LEU   B 1 21  ? -16.689 -36.554 -14.346 1.00 32.74 ? 38  LEU   B HG     1 
ATOM   2277 H HD11   . LEU   B 1 21  ? -17.711 -38.327 -13.351 1.00 34.99 ? 38  LEU   B HD11   1 
ATOM   2278 H HD12   . LEU   B 1 21  ? -16.441 -38.815 -14.170 1.00 34.99 ? 38  LEU   B HD12   1 
ATOM   2279 H HD13   . LEU   B 1 21  ? -16.367 -38.692 -12.588 1.00 34.99 ? 38  LEU   B HD13   1 
ATOM   2280 H HD21   . LEU   B 1 21  ? -17.683 -36.081 -12.259 1.00 33.11 ? 38  LEU   B HD21   1 
ATOM   2281 H HD22   . LEU   B 1 21  ? -16.303 -36.387 -11.534 1.00 33.11 ? 38  LEU   B HD22   1 
ATOM   2282 H HD23   . LEU   B 1 21  ? -16.439 -35.119 -12.481 1.00 33.11 ? 38  LEU   B HD23   1 
ATOM   2283 N N      . TYR   B 1 22  ? -13.964 -35.748 -16.498 1.00 18.17 ? 39  TYR   B N      1 
ATOM   2284 C CA     . TYR   B 1 22  ? -14.338 -35.203 -17.801 1.00 18.58 ? 39  TYR   B CA     1 
ATOM   2285 C C      . TYR   B 1 22  ? -13.973 -36.165 -18.920 1.00 19.82 ? 39  TYR   B C      1 
ATOM   2286 O O      . TYR   B 1 22  ? -14.733 -36.330 -19.880 1.00 20.54 ? 39  TYR   B O      1 
ATOM   2287 C CB     . TYR   B 1 22  ? -13.662 -33.856 -18.046 1.00 17.52 ? 39  TYR   B CB     1 
ATOM   2288 C CG     . TYR   B 1 22  ? -13.969 -32.762 -17.040 1.00 15.14 ? 39  TYR   B CG     1 
ATOM   2289 C CD1    . TYR   B 1 22  ? -15.047 -32.817 -16.163 1.00 16.17 ? 39  TYR   B CD1    1 
ATOM   2290 C CD2    . TYR   B 1 22  ? -13.161 -31.658 -16.981 1.00 15.69 ? 39  TYR   B CD2    1 
ATOM   2291 C CE1    . TYR   B 1 22  ? -15.277 -31.773 -15.254 1.00 16.25 ? 39  TYR   B CE1    1 
ATOM   2292 C CE2    . TYR   B 1 22  ? -13.354 -30.626 -16.085 1.00 15.21 ? 39  TYR   B CE2    1 
ATOM   2293 C CZ     . TYR   B 1 22  ? -14.417 -30.659 -15.232 1.00 14.55 ? 39  TYR   B CZ     1 
ATOM   2294 O OH     . TYR   B 1 22  ? -14.564 -29.641 -14.356 1.00 14.89 ? 39  TYR   B OH     1 
ATOM   2295 H H      . TYR   B 1 22  ? -13.411 -35.269 -16.046 1.00 21.80 ? 39  TYR   B H      1 
ATOM   2296 H HA     . TYR   B 1 22  ? -15.297 -35.062 -17.800 1.00 22.30 ? 39  TYR   B HA     1 
ATOM   2297 H HB2    . TYR   B 1 22  ? -12.701 -33.993 -18.036 1.00 21.02 ? 39  TYR   B HB2    1 
ATOM   2298 H HB3    . TYR   B 1 22  ? -13.941 -33.531 -18.916 1.00 21.02 ? 39  TYR   B HB3    1 
ATOM   2299 H HD1    . TYR   B 1 22  ? -15.618 -33.551 -16.178 1.00 19.41 ? 39  TYR   B HD1    1 
ATOM   2300 H HD2    . TYR   B 1 22  ? -12.447 -31.601 -17.575 1.00 18.83 ? 39  TYR   B HD2    1 
ATOM   2301 H HE1    . TYR   B 1 22  ? -15.998 -31.817 -14.668 1.00 19.50 ? 39  TYR   B HE1    1 
ATOM   2302 H HE2    . TYR   B 1 22  ? -12.761 -29.911 -16.063 1.00 18.25 ? 39  TYR   B HE2    1 
ATOM   2303 H HH     . TYR   B 1 22  ? -15.232 -29.779 -13.865 1.00 17.86 ? 39  TYR   B HH     1 
ATOM   2304 N N      . GLU   B 1 23  ? -12.803 -36.788 -18.826 1.00 20.16 ? 40  GLU   B N      1 
ATOM   2305 C CA     . GLU   B 1 23  ? -12.403 -37.729 -19.869 1.00 23.06 ? 40  GLU   B CA     1 
ATOM   2306 C C      . GLU   B 1 23  ? -13.353 -38.924 -19.917 1.00 23.75 ? 40  GLU   B C      1 
ATOM   2307 O O      . GLU   B 1 23  ? -13.688 -39.417 -21.003 1.00 23.62 ? 40  GLU   B O      1 
ATOM   2308 C CB     . GLU   B 1 23  ? -10.955 -38.163 -19.642 1.00 23.70 ? 40  GLU   B CB     1 
ATOM   2309 C CG     . GLU   B 1 23  ? -10.415 -39.170 -20.654 1.00 33.92 ? 40  GLU   B CG     1 
ATOM   2310 C CD     . GLU   B 1 23  ? -10.597 -38.719 -22.096 1.00 53.41 ? 40  GLU   B CD     1 
ATOM   2311 O OE1    . GLU   B 1 23  ? -10.944 -39.569 -22.944 1.00 49.22 ? 40  GLU   B OE1    1 
ATOM   2312 O OE2    . GLU   B 1 23  ? -10.392 -37.518 -22.379 1.00 41.87 ? 40  GLU   B OE2    1 
ATOM   2313 H H      . GLU   B 1 23  ? -12.236 -36.687 -18.187 1.00 24.20 ? 40  GLU   B H      1 
ATOM   2314 H HA     . GLU   B 1 23  ? -12.443 -37.294 -20.735 1.00 27.67 ? 40  GLU   B HA     1 
ATOM   2315 H HB2    . GLU   B 1 23  ? -10.388 -37.377 -19.685 1.00 28.44 ? 40  GLU   B HB2    1 
ATOM   2316 H HB3    . GLU   B 1 23  ? -10.891 -38.571 -18.764 1.00 28.44 ? 40  GLU   B HB3    1 
ATOM   2317 H HG2    . GLU   B 1 23  ? -9.466  -39.297 -20.498 1.00 40.70 ? 40  GLU   B HG2    1 
ATOM   2318 H HG3    . GLU   B 1 23  ? -10.885 -40.012 -20.543 1.00 40.70 ? 40  GLU   B HG3    1 
ATOM   2319 N N      . ARG   B 1 24  ? -13.818 -39.386 -18.753 1.00 22.85 ? 41  ARG   B N      1 
ATOM   2320 C CA     . ARG   B 1 24  ? -14.794 -40.473 -18.727 1.00 24.74 ? 41  ARG   B CA     1 
ATOM   2321 C C      . ARG   B 1 24  ? -16.101 -40.067 -19.392 1.00 24.03 ? 41  ARG   B C      1 
ATOM   2322 O O      . ARG   B 1 24  ? -16.715 -40.859 -20.116 1.00 24.57 ? 41  ARG   B O      1 
ATOM   2323 C CB     . ARG   B 1 24  ? -15.081 -40.881 -17.287 1.00 25.72 ? 41  ARG   B CB     1 
ATOM   2324 C CG     . ARG   B 1 24  ? -14.014 -41.738 -16.661 1.00 34.20 ? 41  ARG   B CG     1 
ATOM   2325 C CD     . ARG   B 1 24  ? -14.357 -42.090 -15.220 1.00 36.30 ? 41  ARG   B CD     1 
ATOM   2326 N NE     . ARG   B 1 24  ? -15.699 -42.635 -15.059 1.00 34.54 ? 41  ARG   B NE     1 
ATOM   2327 C CZ     . ARG   B 1 24  ? -16.357 -42.669 -13.909 1.00 36.02 ? 41  ARG   B CZ     1 
ATOM   2328 N NH1    . ARG   B 1 24  ? -15.879 -42.079 -12.824 1.00 39.48 ? 41  ARG   B NH1    1 
ATOM   2329 N NH2    . ARG   B 1 24  ? -17.518 -43.313 -13.842 1.00 40.76 ? 41  ARG   B NH2    1 
ATOM   2330 H H      . ARG   B 1 24  ? -13.588 -39.091 -17.978 1.00 27.42 ? 41  ARG   B H      1 
ATOM   2331 H HA     . ARG   B 1 24  ? -14.417 -41.227 -19.206 1.00 29.68 ? 41  ARG   B HA     1 
ATOM   2332 H HB2    . ARG   B 1 24  ? -15.166 -40.079 -16.749 1.00 30.87 ? 41  ARG   B HB2    1 
ATOM   2333 H HB3    . ARG   B 1 24  ? -15.910 -41.384 -17.267 1.00 30.87 ? 41  ARG   B HB3    1 
ATOM   2334 H HG2    . ARG   B 1 24  ? -13.928 -42.563 -17.164 1.00 41.04 ? 41  ARG   B HG2    1 
ATOM   2335 H HG3    . ARG   B 1 24  ? -13.171 -41.257 -16.665 1.00 41.04 ? 41  ARG   B HG3    1 
ATOM   2336 H HD2    . ARG   B 1 24  ? -13.726 -42.755 -14.901 1.00 43.56 ? 41  ARG   B HD2    1 
ATOM   2337 H HD3    . ARG   B 1 24  ? -14.295 -41.288 -14.678 1.00 43.56 ? 41  ARG   B HD3    1 
ATOM   2338 H HE     . ARG   B 1 24  ? -16.090 -42.956 -15.755 1.00 41.45 ? 41  ARG   B HE     1 
ATOM   2339 H HH11   . ARG   B 1 24  ? -15.127 -41.664 -12.856 1.00 47.38 ? 41  ARG   B HH11   1 
ATOM   2340 H HH12   . ARG   B 1 24  ? -16.321 -42.112 -12.087 1.00 47.38 ? 41  ARG   B HH12   1 
ATOM   2341 H HH21   . ARG   B 1 24  ? -17.834 -43.703 -14.540 1.00 48.91 ? 41  ARG   B HH21   1 
ATOM   2342 H HH22   . ARG   B 1 24  ? -17.952 -43.341 -13.100 1.00 48.91 ? 41  ARG   B HH22   1 
ATOM   2343 N N      . ILE   B 1 25  ? -16.566 -38.847 -19.122 1.00 22.02 ? 42  ILE   B N      1 
ATOM   2344 C CA     . ILE   B 1 25  ? -17.798 -38.379 -19.745 1.00 21.40 ? 42  ILE   B CA     1 
ATOM   2345 C C      . ILE   B 1 25  ? -17.619 -38.293 -21.254 1.00 21.90 ? 42  ILE   B C      1 
ATOM   2346 O O      . ILE   B 1 25  ? -18.451 -38.783 -22.024 1.00 23.75 ? 42  ILE   B O      1 
ATOM   2347 C CB     . ILE   B 1 25  ? -18.226 -37.031 -19.131 1.00 19.54 ? 42  ILE   B CB     1 
ATOM   2348 C CG1    . ILE   B 1 25  ? -18.629 -37.242 -17.675 1.00 20.02 ? 42  ILE   B CG1    1 
ATOM   2349 C CG2    . ILE   B 1 25  ? -19.328 -36.416 -19.955 1.00 21.58 ? 42  ILE   B CG2    1 
ATOM   2350 C CD1    . ILE   B 1 25  ? -18.670 -35.959 -16.862 1.00 21.66 ? 42  ILE   B CD1    1 
ATOM   2351 H H      . ILE   B 1 25  ? -16.193 -38.282 -18.591 1.00 26.42 ? 42  ILE   B H      1 
ATOM   2352 H HA     . ILE   B 1 25  ? -18.506 -39.019 -19.570 1.00 25.68 ? 42  ILE   B HA     1 
ATOM   2353 H HB     . ILE   B 1 25  ? -17.482 -36.409 -19.141 1.00 23.45 ? 42  ILE   B HB     1 
ATOM   2354 H HG12   . ILE   B 1 25  ? -19.515 -37.637 -17.651 1.00 24.02 ? 42  ILE   B HG12   1 
ATOM   2355 H HG13   . ILE   B 1 25  ? -17.989 -37.838 -17.257 1.00 24.02 ? 42  ILE   B HG13   1 
ATOM   2356 H HG21   . ILE   B 1 25  ? -19.784 -35.746 -19.422 1.00 25.90 ? 42  ILE   B HG21   1 
ATOM   2357 H HG22   . ILE   B 1 25  ? -18.940 -36.004 -20.743 1.00 25.90 ? 42  ILE   B HG22   1 
ATOM   2358 H HG23   . ILE   B 1 25  ? -19.951 -37.111 -20.217 1.00 25.90 ? 42  ILE   B HG23   1 
ATOM   2359 H HD11   . ILE   B 1 25  ? -18.855 -36.179 -15.935 1.00 26.00 ? 42  ILE   B HD11   1 
ATOM   2360 H HD12   . ILE   B 1 25  ? -17.812 -35.514 -16.931 1.00 26.00 ? 42  ILE   B HD12   1 
ATOM   2361 H HD13   . ILE   B 1 25  ? -19.370 -35.386 -17.211 1.00 26.00 ? 42  ILE   B HD13   1 
ATOM   2362 N N      . VAL   B 1 26  ? -16.525 -37.670 -21.700 1.00 21.85 ? 43  VAL   B N      1 
ATOM   2363 C CA     . VAL   B 1 26  ? -16.294 -37.508 -23.134 1.00 23.96 ? 43  VAL   B CA     1 
ATOM   2364 C C      . VAL   B 1 26  ? -16.200 -38.868 -23.815 1.00 24.56 ? 43  VAL   B C      1 
ATOM   2365 O O      . VAL   B 1 26  ? -16.784 -39.083 -24.883 1.00 25.70 ? 43  VAL   B O      1 
ATOM   2366 C CB     . VAL   B 1 26  ? -15.046 -36.638 -23.386 1.00 23.66 ? 43  VAL   B CB     1 
ATOM   2367 C CG1    . VAL   B 1 26  ? -14.619 -36.707 -24.842 1.00 26.28 ? 43  VAL   B CG1    1 
ATOM   2368 C CG2    . VAL   B 1 26  ? -15.312 -35.189 -22.977 1.00 23.64 ? 43  VAL   B CG2    1 
ATOM   2369 H H      . VAL   B 1 26  ? -15.911 -37.337 -21.199 1.00 26.23 ? 43  VAL   B H      1 
ATOM   2370 H HA     . VAL   B 1 26  ? -17.052 -37.042 -23.520 1.00 28.76 ? 43  VAL   B HA     1 
ATOM   2371 H HB     . VAL   B 1 26  ? -14.319 -36.980 -22.844 1.00 28.40 ? 43  VAL   B HB     1 
ATOM   2372 H HG11   . VAL   B 1 26  ? -14.003 -35.981 -25.025 1.00 31.54 ? 43  VAL   B HG11   1 
ATOM   2373 H HG12   . VAL   B 1 26  ? -14.183 -37.559 -25.002 1.00 31.54 ? 43  VAL   B HG12   1 
ATOM   2374 H HG13   . VAL   B 1 26  ? -15.404 -36.626 -25.406 1.00 31.54 ? 43  VAL   B HG13   1 
ATOM   2375 H HG21   . VAL   B 1 26  ? -14.513 -34.664 -23.138 1.00 28.37 ? 43  VAL   B HG21   1 
ATOM   2376 H HG22   . VAL   B 1 26  ? -16.048 -34.842 -23.506 1.00 28.37 ? 43  VAL   B HG22   1 
ATOM   2377 H HG23   . VAL   B 1 26  ? -15.541 -35.164 -22.035 1.00 28.37 ? 43  VAL   B HG23   1 
ATOM   2378 N N      . SER   B 1 27  ? -15.474 -39.809 -23.202 1.00 24.65 ? 44  SER   B N      1 
ATOM   2379 C CA     . SER   B 1 27  ? -15.375 -41.160 -23.746 1.00 27.64 ? 44  SER   B CA     1 
ATOM   2380 C C      . SER   B 1 27  ? -16.758 -41.743 -24.004 1.00 26.18 ? 44  SER   B C      1 
ATOM   2381 O O      . SER   B 1 27  ? -17.003 -42.358 -25.052 1.00 29.28 ? 44  SER   B O      1 
ATOM   2382 C CB     A SER   B 1 27  ? -14.602 -42.047 -22.769 0.64 27.88 ? 44  SER   B CB     1 
ATOM   2383 C CB     B SER   B 1 27  ? -14.583 -42.050 -22.785 0.36 27.92 ? 44  SER   B CB     1 
ATOM   2384 O OG     A SER   B 1 27  ? -13.231 -41.692 -22.716 0.64 30.90 ? 44  SER   B OG     1 
ATOM   2385 O OG     B SER   B 1 27  ? -14.641 -43.416 -23.170 0.36 29.87 ? 44  SER   B OG     1 
ATOM   2386 H H      . SER   B 1 27  ? -15.032 -39.688 -22.474 1.00 29.58 ? 44  SER   B H      1 
ATOM   2387 H HA     . SER   B 1 27  ? -14.893 -41.131 -24.588 1.00 33.17 ? 44  SER   B HA     1 
ATOM   2388 H HB2    A SER   B 1 27  ? -14.986 -41.946 -21.884 0.64 33.45 ? 44  SER   B HB2    1 
ATOM   2389 H HB2    B SER   B 1 27  ? -13.656 -41.764 -22.786 0.36 33.51 ? 44  SER   B HB2    1 
ATOM   2390 H HB3    A SER   B 1 27  ? -14.675 -42.970 -23.059 0.64 33.45 ? 44  SER   B HB3    1 
ATOM   2391 H HB3    B SER   B 1 27  ? -14.957 -41.959 -21.895 0.36 33.51 ? 44  SER   B HB3    1 
ATOM   2392 H HG     A SER   B 1 27  ? -13.149 -40.901 -22.447 0.64 37.08 ? 44  SER   B HG     1 
ATOM   2393 H HG     B SER   B 1 27  ? -14.185 -43.883 -22.642 0.36 35.84 ? 44  SER   B HG     1 
ATOM   2394 N N      . ARG   B 1 28  ? -17.666 -41.601 -23.035 1.00 25.57 ? 45  ARG   B N      1 
ATOM   2395 C CA     . ARG   B 1 28  ? -19.004 -42.165 -23.200 1.00 26.56 ? 45  ARG   B CA     1 
ATOM   2396 C C      . ARG   B 1 28  ? -19.808 -41.393 -24.244 1.00 26.29 ? 45  ARG   B C      1 
ATOM   2397 O O      . ARG   B 1 28  ? -20.562 -41.988 -25.020 1.00 28.90 ? 45  ARG   B O      1 
ATOM   2398 C CB     . ARG   B 1 28  ? -19.716 -42.229 -21.851 1.00 27.03 ? 45  ARG   B CB     1 
ATOM   2399 C CG     . ARG   B 1 28  ? -20.931 -43.138 -21.842 1.00 34.72 ? 45  ARG   B CG     1 
ATOM   2400 C CD     . ARG   B 1 28  ? -20.537 -44.577 -22.205 1.00 36.84 ? 45  ARG   B CD     1 
ATOM   2401 N NE     . ARG   B 1 28  ? -21.389 -45.590 -21.597 1.00 40.04 ? 45  ARG   B NE     1 
ATOM   2402 C CZ     . ARG   B 1 28  ? -20.957 -46.703 -21.015 1.00 39.86 ? 45  ARG   B CZ     1 
ATOM   2403 N NH1    . ARG   B 1 28  ? -19.664 -46.966 -20.892 1.00 43.95 ? 45  ARG   B NH1    1 
ATOM   2404 N NH2    . ARG   B 1 28  ? -21.846 -47.577 -20.553 1.00 47.34 ? 45  ARG   B NH2    1 
ATOM   2405 H H      . ARG   B 1 28  ? -17.535 -41.191 -22.290 1.00 30.69 ? 45  ARG   B H      1 
ATOM   2406 H HA     . ARG   B 1 28  ? -18.930 -43.077 -23.522 1.00 31.87 ? 45  ARG   B HA     1 
ATOM   2407 H HB2    . ARG   B 1 28  ? -19.094 -42.561 -21.186 1.00 32.44 ? 45  ARG   B HB2    1 
ATOM   2408 H HB3    . ARG   B 1 28  ? -20.013 -41.337 -21.613 1.00 32.44 ? 45  ARG   B HB3    1 
ATOM   2409 H HG2    . ARG   B 1 28  ? -21.327 -43.141 -20.956 1.00 41.66 ? 45  ARG   B HG2    1 
ATOM   2410 H HG3    . ARG   B 1 28  ? -21.577 -42.822 -22.493 1.00 41.66 ? 45  ARG   B HG3    1 
ATOM   2411 H HD2    . ARG   B 1 28  ? -20.593 -44.683 -23.167 1.00 44.21 ? 45  ARG   B HD2    1 
ATOM   2412 H HD3    . ARG   B 1 28  ? -19.628 -44.736 -21.905 1.00 44.21 ? 45  ARG   B HD3    1 
ATOM   2413 H HE     . ARG   B 1 28  ? -22.238 -45.457 -21.616 1.00 48.05 ? 45  ARG   B HE     1 
ATOM   2414 H HH11   . ARG   B 1 28  ? -19.082 -46.409 -21.193 1.00 52.75 ? 45  ARG   B HH11   1 
ATOM   2415 H HH12   . ARG   B 1 28  ? -19.408 -47.693 -20.512 1.00 52.75 ? 45  ARG   B HH12   1 
ATOM   2416 H HH21   . ARG   B 1 28  ? -22.687 -47.418 -20.633 1.00 56.81 ? 45  ARG   B HH21   1 
ATOM   2417 H HH22   . ARG   B 1 28  ? -21.579 -48.302 -20.174 1.00 56.81 ? 45  ARG   B HH22   1 
ATOM   2418 N N      . LEU   B 1 29  ? -19.657 -40.071 -24.284 1.00 25.51 ? 46  LEU   B N      1 
ATOM   2419 C CA     . LEU   B 1 29  ? -20.366 -39.260 -25.275 1.00 25.25 ? 46  LEU   B CA     1 
ATOM   2420 C C      . LEU   B 1 29  ? -20.008 -39.679 -26.697 1.00 28.08 ? 46  LEU   B C      1 
ATOM   2421 O O      . LEU   B 1 29  ? -20.869 -39.669 -27.588 1.00 27.82 ? 46  LEU   B O      1 
ATOM   2422 C CB     . LEU   B 1 29  ? -20.028 -37.783 -25.078 1.00 25.97 ? 46  LEU   B CB     1 
ATOM   2423 C CG     . LEU   B 1 29  ? -20.623 -37.114 -23.840 1.00 25.39 ? 46  LEU   B CG     1 
ATOM   2424 C CD1    . LEU   B 1 29  ? -20.212 -35.646 -23.789 1.00 24.14 ? 46  LEU   B CD1    1 
ATOM   2425 C CD2    . LEU   B 1 29  ? -22.135 -37.238 -23.802 1.00 26.55 ? 46  LEU   B CD2    1 
ATOM   2426 H H      . LEU   B 1 29  ? -19.154 -39.619 -23.752 1.00 30.62 ? 46  LEU   B H      1 
ATOM   2427 H HA     . LEU   B 1 29  ? -21.320 -39.386 -25.146 1.00 30.30 ? 46  LEU   B HA     1 
ATOM   2428 H HB2    . LEU   B 1 29  ? -19.063 -37.701 -25.011 1.00 31.17 ? 46  LEU   B HB2    1 
ATOM   2429 H HB3    . LEU   B 1 29  ? -20.350 -37.294 -25.851 1.00 31.17 ? 46  LEU   B HB3    1 
ATOM   2430 H HG     . LEU   B 1 29  ? -20.280 -37.568 -23.055 1.00 30.46 ? 46  LEU   B HG     1 
ATOM   2431 H HD11   . LEU   B 1 29  ? -20.587 -35.240 -22.992 1.00 28.97 ? 46  LEU   B HD11   1 
ATOM   2432 H HD12   . LEU   B 1 29  ? -19.244 -35.590 -23.765 1.00 28.97 ? 46  LEU   B HD12   1 
ATOM   2433 H HD13   . LEU   B 1 29  ? -20.549 -35.196 -24.580 1.00 28.97 ? 46  LEU   B HD13   1 
ATOM   2434 H HD21   . LEU   B 1 29  ? -22.483 -36.643 -23.119 1.00 31.86 ? 46  LEU   B HD21   1 
ATOM   2435 H HD22   . LEU   B 1 29  ? -22.493 -36.991 -24.669 1.00 31.86 ? 46  LEU   B HD22   1 
ATOM   2436 H HD23   . LEU   B 1 29  ? -22.372 -38.155 -23.595 1.00 31.86 ? 46  LEU   B HD23   1 
ATOM   2437 N N      . ARG   B 1 30  ? -18.742 -40.055 -26.939 1.00 28.81 ? 47  ARG   B N      1 
ATOM   2438 C CA     . ARG   B 1 30  ? -18.334 -40.442 -28.288 1.00 31.53 ? 47  ARG   B CA     1 
ATOM   2439 C C      . ARG   B 1 30  ? -19.137 -41.620 -28.822 1.00 33.95 ? 47  ARG   B C      1 
ATOM   2440 O O      . ARG   B 1 30  ? -19.217 -41.806 -30.044 1.00 33.55 ? 47  ARG   B O      1 
ATOM   2441 C CB     . ARG   B 1 30  ? -16.847 -40.808 -28.317 1.00 35.59 ? 47  ARG   B CB     1 
ATOM   2442 C CG     . ARG   B 1 30  ? -15.942 -39.664 -27.941 1.00 34.66 ? 47  ARG   B CG     1 
ATOM   2443 C CD     . ARG   B 1 30  ? -14.478 -39.923 -28.266 1.00 44.44 ? 47  ARG   B CD     1 
ATOM   2444 N NE     . ARG   B 1 30  ? -13.769 -38.661 -28.451 1.00 47.95 ? 47  ARG   B NE     1 
ATOM   2445 C CZ     . ARG   B 1 30  ? -12.852 -38.178 -27.623 1.00 50.45 ? 47  ARG   B CZ     1 
ATOM   2446 N NH1    . ARG   B 1 30  ? -12.448 -38.861 -26.563 1.00 42.44 ? 47  ARG   B NH1    1 
ATOM   2447 N NH2    . ARG   B 1 30  ? -12.331 -36.978 -27.862 1.00 55.57 ? 47  ARG   B NH2    1 
ATOM   2448 H H      . ARG   B 1 30  ? -18.117 -40.092 -26.349 1.00 34.57 ? 47  ARG   B H      1 
ATOM   2449 H HA     . ARG   B 1 30  ? -18.476 -39.679 -28.869 1.00 37.84 ? 47  ARG   B HA     1 
ATOM   2450 H HB2    . ARG   B 1 30  ? -16.690 -41.530 -27.690 1.00 42.71 ? 47  ARG   B HB2    1 
ATOM   2451 H HB3    . ARG   B 1 30  ? -16.612 -41.090 -29.215 1.00 42.71 ? 47  ARG   B HB3    1 
ATOM   2452 H HG2    . ARG   B 1 30  ? -16.219 -38.871 -28.426 1.00 41.59 ? 47  ARG   B HG2    1 
ATOM   2453 H HG3    . ARG   B 1 30  ? -16.011 -39.509 -26.986 1.00 41.59 ? 47  ARG   B HG3    1 
ATOM   2454 H HD2    . ARG   B 1 30  ? -14.063 -40.407 -27.536 1.00 53.32 ? 47  ARG   B HD2    1 
ATOM   2455 H HD3    . ARG   B 1 30  ? -14.413 -40.437 -29.086 1.00 53.32 ? 47  ARG   B HD3    1 
ATOM   2456 H HE     . ARG   B 1 30  ? -13.959 -38.196 -29.149 1.00 57.54 ? 47  ARG   B HE     1 
ATOM   2457 H HH11   . ARG   B 1 30  ? -12.781 -39.636 -26.399 1.00 50.93 ? 47  ARG   B HH11   1 
ATOM   2458 H HH12   . ARG   B 1 30  ? -11.852 -38.529 -26.039 1.00 50.93 ? 47  ARG   B HH12   1 
ATOM   2459 H HH21   . ARG   B 1 30  ? -12.590 -36.526 -28.546 1.00 66.68 ? 47  ARG   B HH21   1 
ATOM   2460 H HH22   . ARG   B 1 30  ? -11.736 -36.654 -27.332 1.00 66.68 ? 47  ARG   B HH22   1 
ATOM   2461 N N      . ARG   B 1 31  ? -19.709 -42.442 -27.941 1.00 32.27 ? 48  ARG   B N      1 
ATOM   2462 C CA     . ARG   B 1 31  ? -20.540 -43.538 -28.410 1.00 35.03 ? 48  ARG   B CA     1 
ATOM   2463 C C      . ARG   B 1 31  ? -21.839 -43.055 -29.039 1.00 33.17 ? 48  ARG   B C      1 
ATOM   2464 O O      . ARG   B 1 31  ? -22.448 -43.787 -29.830 1.00 35.72 ? 48  ARG   B O      1 
ATOM   2465 C CB     . ARG   B 1 31  ? -20.931 -44.441 -27.248 1.00 35.85 ? 48  ARG   B CB     1 
ATOM   2466 C CG     . ARG   B 1 31  ? -19.800 -44.894 -26.376 1.00 36.71 ? 48  ARG   B CG     1 
ATOM   2467 C CD     . ARG   B 1 31  ? -20.256 -46.110 -25.619 1.00 46.83 ? 48  ARG   B CD     1 
ATOM   2468 N NE     . ARG   B 1 31  ? -19.186 -46.754 -24.873 1.00 53.62 ? 48  ARG   B NE     1 
ATOM   2469 C CZ     . ARG   B 1 31  ? -19.356 -47.845 -24.141 1.00 54.10 ? 48  ARG   B CZ     1 
ATOM   2470 N NH1    . ARG   B 1 31  ? -20.543 -48.416 -24.024 1.00 48.68 ? 48  ARG   B NH1    1 
ATOM   2471 N NH2    . ARG   B 1 31  ? -18.313 -48.372 -23.507 1.00 57.32 ? 48  ARG   B NH2    1 
ATOM   2472 H H      . ARG   B 1 31  ? -19.630 -42.384 -27.086 1.00 38.72 ? 48  ARG   B H      1 
ATOM   2473 H HA     . ARG   B 1 31  ? -20.020 -44.036 -29.060 1.00 42.03 ? 48  ARG   B HA     1 
ATOM   2474 H HB2    . ARG   B 1 31  ? -21.556 -43.960 -26.683 1.00 43.02 ? 48  ARG   B HB2    1 
ATOM   2475 H HB3    . ARG   B 1 31  ? -21.354 -45.237 -27.608 1.00 43.02 ? 48  ARG   B HB3    1 
ATOM   2476 H HG2    . ARG   B 1 31  ? -19.031 -45.125 -26.920 1.00 44.05 ? 48  ARG   B HG2    1 
ATOM   2477 H HG3    . ARG   B 1 31  ? -19.563 -44.195 -25.746 1.00 44.05 ? 48  ARG   B HG3    1 
ATOM   2478 H HD2    . ARG   B 1 31  ? -20.944 -45.848 -24.987 1.00 56.20 ? 48  ARG   B HD2    1 
ATOM   2479 H HD3    . ARG   B 1 31  ? -20.612 -46.757 -26.248 1.00 56.20 ? 48  ARG   B HD3    1 
ATOM   2480 H HE     . ARG   B 1 31  ? -18.400 -46.408 -24.909 1.00 64.34 ? 48  ARG   B HE     1 
ATOM   2481 H HH11   . ARG   B 1 31  ? -21.224 -48.079 -24.427 1.00 58.42 ? 48  ARG   B HH11   1 
ATOM   2482 H HH12   . ARG   B 1 31  ? -20.634 -49.124 -23.544 1.00 58.42 ? 48  ARG   B HH12   1 
ATOM   2483 H HH21   . ARG   B 1 31  ? -17.538 -48.004 -23.574 1.00 68.78 ? 48  ARG   B HH21   1 
ATOM   2484 H HH22   . ARG   B 1 31  ? -18.412 -49.080 -23.029 1.00 68.78 ? 48  ARG   B HH22   1 
ATOM   2485 N N      . PHE   B 1 32  ? -22.281 -41.850 -28.681 1.00 34.17 ? 49  PHE   B N      1 
ATOM   2486 C CA     . PHE   B 1 32  ? -23.592 -41.359 -29.066 1.00 33.06 ? 49  PHE   B CA     1 
ATOM   2487 C C      . PHE   B 1 32  ? -23.552 -40.352 -30.203 1.00 38.15 ? 49  PHE   B C      1 
ATOM   2488 O O      . PHE   B 1 32  ? -24.574 -40.168 -30.872 1.00 41.44 ? 49  PHE   B O      1 
ATOM   2489 C CB     . PHE   B 1 32  ? -24.277 -40.693 -27.862 1.00 34.57 ? 49  PHE   B CB     1 
ATOM   2490 C CG     . PHE   B 1 32  ? -24.315 -41.557 -26.633 1.00 31.41 ? 49  PHE   B CG     1 
ATOM   2491 C CD1    . PHE   B 1 32  ? -24.857 -42.823 -26.682 1.00 38.13 ? 49  PHE   B CD1    1 
ATOM   2492 C CD2    . PHE   B 1 32  ? -23.804 -41.099 -25.428 1.00 41.18 ? 49  PHE   B CD2    1 
ATOM   2493 C CE1    . PHE   B 1 32  ? -24.892 -43.626 -25.557 1.00 39.81 ? 49  PHE   B CE1    1 
ATOM   2494 C CE2    . PHE   B 1 32  ? -23.836 -41.901 -24.299 1.00 38.79 ? 49  PHE   B CE2    1 
ATOM   2495 C CZ     . PHE   B 1 32  ? -24.377 -43.165 -24.368 1.00 36.74 ? 49  PHE   B CZ     1 
ATOM   2496 H H      . PHE   B 1 32  ? -21.829 -41.293 -28.207 1.00 41.00 ? 49  PHE   B H      1 
ATOM   2497 H HA     . PHE   B 1 32  ? -24.129 -42.115 -29.352 1.00 39.67 ? 49  PHE   B HA     1 
ATOM   2498 H HB2    . PHE   B 1 32  ? -23.795 -39.881 -27.638 1.00 41.49 ? 49  PHE   B HB2    1 
ATOM   2499 H HB3    . PHE   B 1 32  ? -25.192 -40.479 -28.102 1.00 41.49 ? 49  PHE   B HB3    1 
ATOM   2500 H HD1    . PHE   B 1 32  ? -25.205 -43.142 -27.483 1.00 45.76 ? 49  PHE   B HD1    1 
ATOM   2501 H HD2    . PHE   B 1 32  ? -23.437 -40.246 -25.376 1.00 49.41 ? 49  PHE   B HD2    1 
ATOM   2502 H HE1    . PHE   B 1 32  ? -25.263 -44.477 -25.604 1.00 47.77 ? 49  PHE   B HE1    1 
ATOM   2503 H HE2    . PHE   B 1 32  ? -23.493 -41.586 -23.495 1.00 46.55 ? 49  PHE   B HE2    1 
ATOM   2504 H HZ     . PHE   B 1 32  ? -24.394 -43.707 -23.612 1.00 44.08 ? 49  PHE   B HZ     1 
ATOM   2505 N N      . GLY   B 1 33  ? -22.424 -39.695 -30.443 1.00 32.73 ? 50  GLY   B N      1 
ATOM   2506 C CA     . GLY   B 1 33  ? -22.399 -38.714 -31.511 1.00 38.69 ? 50  GLY   B CA     1 
ATOM   2507 C C      . GLY   B 1 33  ? -21.024 -38.125 -31.714 1.00 32.79 ? 50  GLY   B C      1 
ATOM   2508 O O      . GLY   B 1 33  ? -20.042 -38.524 -31.079 1.00 37.87 ? 50  GLY   B O      1 
ATOM   2509 H H      . GLY   B 1 33  ? -21.685 -39.797 -30.015 1.00 39.27 ? 50  GLY   B H      1 
ATOM   2510 H HA2    . GLY   B 1 33  ? -22.677 -39.133 -32.341 1.00 46.42 ? 50  GLY   B HA2    1 
ATOM   2511 H HA3    . GLY   B 1 33  ? -23.013 -37.993 -31.301 1.00 46.42 ? 50  GLY   B HA3    1 
ATOM   2512 N N      . THR   B 1 34  ? -20.973 -37.169 -32.641 1.00 32.67 ? 51  THR   B N      1 
ATOM   2513 C CA     . THR   B 1 34  ? -19.764 -36.406 -32.894 1.00 33.16 ? 51  THR   B CA     1 
ATOM   2514 C C      . THR   B 1 34  ? -19.505 -35.487 -31.710 1.00 30.80 ? 51  THR   B C      1 
ATOM   2515 O O      . THR   B 1 34  ? -20.320 -34.604 -31.422 1.00 30.99 ? 51  THR   B O      1 
ATOM   2516 C CB     . THR   B 1 34  ? -19.968 -35.559 -34.149 1.00 33.11 ? 51  THR   B CB     1 
ATOM   2517 O OG1    . THR   B 1 34  ? -20.181 -36.400 -35.284 1.00 35.34 ? 51  THR   B OG1    1 
ATOM   2518 C CG2    . THR   B 1 34  ? -18.771 -34.643 -34.387 1.00 38.27 ? 51  THR   B CG2    1 
ATOM   2519 H H      . THR   B 1 34  ? -21.636 -36.945 -33.140 1.00 39.21 ? 51  THR   B H      1 
ATOM   2520 H HA     . THR   B 1 34  ? -19.008 -37.002 -33.017 1.00 39.79 ? 51  THR   B HA     1 
ATOM   2521 H HB     . THR   B 1 34  ? -20.750 -34.998 -34.030 1.00 39.73 ? 51  THR   B HB     1 
ATOM   2522 H HG1    . THR   B 1 34  ? -20.292 -35.932 -35.972 1.00 42.41 ? 51  THR   B HG1    1 
ATOM   2523 H HG21   . THR   B 1 34  ? -18.799 -34.289 -35.290 1.00 45.93 ? 51  THR   B HG21   1 
ATOM   2524 H HG22   . THR   B 1 34  ? -18.788 -33.904 -33.758 1.00 45.93 ? 51  THR   B HG22   1 
ATOM   2525 H HG23   . THR   B 1 34  ? -17.946 -35.138 -34.269 1.00 45.93 ? 51  THR   B HG23   1 
ATOM   2526 N N      . VAL   B 1 35  ? -18.389 -35.685 -31.017 1.00 31.23 ? 52  VAL   B N      1 
ATOM   2527 C CA     . VAL   B 1 35  ? -17.971 -34.774 -29.953 1.00 29.98 ? 52  VAL   B CA     1 
ATOM   2528 C C      . VAL   B 1 35  ? -17.130 -33.678 -30.598 1.00 33.35 ? 52  VAL   B C      1 
ATOM   2529 O O      . VAL   B 1 35  ? -16.038 -33.932 -31.115 1.00 35.48 ? 52  VAL   B O      1 
ATOM   2530 C CB     . VAL   B 1 35  ? -17.207 -35.507 -28.845 1.00 30.66 ? 52  VAL   B CB     1 
ATOM   2531 C CG1    . VAL   B 1 35  ? -16.700 -34.529 -27.791 1.00 36.89 ? 52  VAL   B CG1    1 
ATOM   2532 C CG2    . VAL   B 1 35  ? -18.101 -36.556 -28.205 1.00 33.72 ? 52  VAL   B CG2    1 
ATOM   2533 H H      . VAL   B 1 35  ? -17.852 -36.345 -31.145 1.00 37.47 ? 52  VAL   B H      1 
ATOM   2534 H HA     . VAL   B 1 35  ? -18.751 -34.364 -29.548 1.00 35.97 ? 52  VAL   B HA     1 
ATOM   2535 H HB     . VAL   B 1 35  ? -16.436 -35.946 -29.237 1.00 36.79 ? 52  VAL   B HB     1 
ATOM   2536 H HG11   . VAL   B 1 35  ? -16.373 -35.030 -27.028 1.00 44.27 ? 52  VAL   B HG11   1 
ATOM   2537 H HG12   . VAL   B 1 35  ? -15.981 -34.000 -28.172 1.00 44.27 ? 52  VAL   B HG12   1 
ATOM   2538 H HG13   . VAL   B 1 35  ? -17.429 -33.950 -27.520 1.00 44.27 ? 52  VAL   B HG13   1 
ATOM   2539 H HG21   . VAL   B 1 35  ? -17.620 -36.979 -27.476 1.00 40.47 ? 52  VAL   B HG21   1 
ATOM   2540 H HG22   . VAL   B 1 35  ? -18.902 -36.125 -27.866 1.00 40.47 ? 52  VAL   B HG22   1 
ATOM   2541 H HG23   . VAL   B 1 35  ? -18.339 -37.218 -28.872 1.00 40.47 ? 52  VAL   B HG23   1 
ATOM   2542 N N      . LEU   B 1 36  ? -17.656 -32.461 -30.589 1.00 28.97 ? 53  LEU   B N      1 
ATOM   2543 C CA     . LEU   B 1 36  ? -17.002 -31.322 -31.221 1.00 33.02 ? 53  LEU   B CA     1 
ATOM   2544 C C      . LEU   B 1 36  ? -15.856 -30.790 -30.362 1.00 29.64 ? 53  LEU   B C      1 
ATOM   2545 O O      . LEU   B 1 36  ? -14.835 -30.350 -30.892 1.00 41.42 ? 53  LEU   B O      1 
ATOM   2546 C CB     . LEU   B 1 36  ? -18.030 -30.215 -31.448 1.00 28.94 ? 53  LEU   B CB     1 
ATOM   2547 C CG     . LEU   B 1 36  ? -19.273 -30.592 -32.260 1.00 29.41 ? 53  LEU   B CG     1 
ATOM   2548 C CD1    . LEU   B 1 36  ? -20.381 -29.574 -32.026 1.00 29.87 ? 53  LEU   B CD1    1 
ATOM   2549 C CD2    . LEU   B 1 36  ? -18.947 -30.707 -33.743 1.00 36.16 ? 53  LEU   B CD2    1 
ATOM   2550 H H      . LEU   B 1 36  ? -18.406 -32.264 -30.216 1.00 34.76 ? 53  LEU   B H      1 
ATOM   2551 H HA     . LEU   B 1 36  ? -16.630 -31.595 -32.074 1.00 39.62 ? 53  LEU   B HA     1 
ATOM   2552 H HB2    . LEU   B 1 36  ? -18.339 -29.909 -30.580 1.00 34.73 ? 53  LEU   B HB2    1 
ATOM   2553 H HB3    . LEU   B 1 36  ? -17.591 -29.489 -31.918 1.00 34.73 ? 53  LEU   B HB3    1 
ATOM   2554 H HG     . LEU   B 1 36  ? -19.588 -31.462 -31.967 1.00 35.29 ? 53  LEU   B HG     1 
ATOM   2555 H HD11   . LEU   B 1 36  ? -21.118 -29.764 -32.628 1.00 35.84 ? 53  LEU   B HD11   1 
ATOM   2556 H HD12   . LEU   B 1 36  ? -20.681 -29.639 -31.106 1.00 35.84 ? 53  LEU   B HD12   1 
ATOM   2557 H HD13   . LEU   B 1 36  ? -20.035 -28.684 -32.199 1.00 35.84 ? 53  LEU   B HD13   1 
ATOM   2558 H HD21   . LEU   B 1 36  ? -19.755 -30.941 -34.226 1.00 43.39 ? 53  LEU   B HD21   1 
ATOM   2559 H HD22   . LEU   B 1 36  ? -18.608 -29.855 -34.058 1.00 43.39 ? 53  LEU   B HD22   1 
ATOM   2560 H HD23   . LEU   B 1 36  ? -18.276 -31.396 -33.866 1.00 43.39 ? 53  LEU   B HD23   1 
ATOM   2561 N N      . GLY   B 1 54  ? -3.542  -17.101 -32.220 1.00 50.62 ? 71  GLY   B N      1 
ATOM   2562 C CA     . GLY   B 1 54  ? -4.903  -16.602 -32.159 1.00 52.78 ? 71  GLY   B CA     1 
ATOM   2563 C C      . GLY   B 1 54  ? -5.313  -16.195 -30.756 1.00 50.04 ? 71  GLY   B C      1 
ATOM   2564 O O      . GLY   B 1 54  ? -6.207  -15.364 -30.567 1.00 48.58 ? 71  GLY   B O      1 
ATOM   2565 H HA2    . GLY   B 1 54  ? -4.986  -15.828 -32.737 1.00 63.33 ? 71  GLY   B HA2    1 
ATOM   2566 H HA3    . GLY   B 1 54  ? -5.511  -17.293 -32.465 1.00 63.33 ? 71  GLY   B HA3    1 
ATOM   2567 N N      . GLY   B 1 55  ? -4.658  -16.800 -29.768 1.00 37.83 ? 72  GLY   B N      1 
ATOM   2568 C CA     . GLY   B 1 55  ? -4.909  -16.465 -28.383 1.00 28.11 ? 72  GLY   B CA     1 
ATOM   2569 C C      . GLY   B 1 55  ? -6.298  -16.857 -27.898 1.00 28.62 ? 72  GLY   B C      1 
ATOM   2570 O O      . GLY   B 1 55  ? -6.991  -17.713 -28.468 1.00 26.99 ? 72  GLY   B O      1 
ATOM   2571 H H      . GLY   B 1 55  ? -4.062  -17.410 -29.879 1.00 45.40 ? 72  GLY   B H      1 
ATOM   2572 H HA2    . GLY   B 1 55  ? -4.257  -16.919 -27.825 1.00 33.73 ? 72  GLY   B HA2    1 
ATOM   2573 H HA3    . GLY   B 1 55  ? -4.810  -15.507 -28.267 1.00 33.73 ? 72  GLY   B HA3    1 
ATOM   2574 N N      . ASP   B 1 56  ? -6.700  -16.213 -26.807 1.00 25.11 ? 73  ASP   B N      1 
ATOM   2575 C CA     . ASP   B 1 56  ? -8.011  -16.499 -26.248 1.00 22.34 ? 73  ASP   B CA     1 
ATOM   2576 C C      . ASP   B 1 56  ? -9.138  -16.088 -27.189 1.00 22.55 ? 73  ASP   B C      1 
ATOM   2577 O O      . ASP   B 1 56  ? -10.205 -16.710 -27.170 1.00 21.26 ? 73  ASP   B O      1 
ATOM   2578 C CB     . ASP   B 1 56  ? -8.152  -15.843 -24.879 1.00 22.73 ? 73  ASP   B CB     1 
ATOM   2579 C CG     . ASP   B 1 56  ? -7.287  -16.510 -23.813 1.00 24.19 ? 73  ASP   B CG     1 
ATOM   2580 O OD1    . ASP   B 1 56  ? -6.707  -17.588 -24.082 1.00 26.05 ? 73  ASP   B OD1    1 
ATOM   2581 O OD2    . ASP   B 1 56  ? -7.219  -15.973 -22.690 1.00 26.16 ? 73  ASP   B OD2    1 
ATOM   2582 H H      . ASP   B 1 56  ? -6.243  -15.620 -26.383 1.00 30.13 ? 73  ASP   B H      1 
ATOM   2583 H HA     . ASP   B 1 56  ? -8.094  -17.456 -26.115 1.00 26.81 ? 73  ASP   B HA     1 
ATOM   2584 H HB2    . ASP   B 1 56  ? -7.884  -14.914 -24.945 1.00 27.27 ? 73  ASP   B HB2    1 
ATOM   2585 H HB3    . ASP   B 1 56  ? -9.077  -15.902 -24.594 1.00 27.27 ? 73  ASP   B HB3    1 
ATOM   2586 N N      . ARG   B 1 57  ? -8.954  -15.049 -28.004 1.00 24.25 ? 74  ARG   B N      1 
ATOM   2587 C CA     A ARG   B 1 57  ? -10.006 -14.683 -28.943 0.58 24.36 ? 74  ARG   B CA     1 
ATOM   2588 C CA     B ARG   B 1 57  ? -10.008 -14.679 -28.947 0.42 24.38 ? 74  ARG   B CA     1 
ATOM   2589 C C      . ARG   B 1 57  ? -10.322 -15.834 -29.890 1.00 24.60 ? 74  ARG   B C      1 
ATOM   2590 O O      . ARG   B 1 57  ? -11.495 -16.114 -30.173 1.00 24.99 ? 74  ARG   B O      1 
ATOM   2591 C CB     A ARG   B 1 57  ? -9.593  -13.431 -29.708 0.58 26.21 ? 74  ARG   B CB     1 
ATOM   2592 C CB     B ARG   B 1 57  ? -9.644  -13.408 -29.726 0.42 26.22 ? 74  ARG   B CB     1 
ATOM   2593 C CG     A ARG   B 1 57  ? -10.650 -12.910 -30.646 0.58 29.33 ? 74  ARG   B CG     1 
ATOM   2594 C CG     B ARG   B 1 57  ? -10.427 -13.171 -31.049 0.42 31.16 ? 74  ARG   B CG     1 
ATOM   2595 C CD     A ARG   B 1 57  ? -11.914 -12.514 -29.917 0.58 27.64 ? 74  ARG   B CD     1 
ATOM   2596 C CD     B ARG   B 1 57  ? -11.904 -12.859 -30.815 0.42 29.42 ? 74  ARG   B CD     1 
ATOM   2597 N NE     A ARG   B 1 57  ? -12.819 -11.788 -30.799 0.58 29.19 ? 74  ARG   B NE     1 
ATOM   2598 N NE     B ARG   B 1 57  ? -12.509 -11.814 -31.646 0.42 31.25 ? 74  ARG   B NE     1 
ATOM   2599 C CZ     A ARG   B 1 57  ? -14.038 -11.394 -30.467 0.58 30.33 ? 74  ARG   B CZ     1 
ATOM   2600 C CZ     B ARG   B 1 57  ? -12.773 -11.902 -32.945 0.42 33.86 ? 74  ARG   B CZ     1 
ATOM   2601 N NH1    A ARG   B 1 57  ? -14.550 -11.667 -29.283 0.58 30.09 ? 74  ARG   B NH1    1 
ATOM   2602 N NH1    B ARG   B 1 57  ? -12.171 -12.787 -33.724 0.42 31.83 ? 74  ARG   B NH1    1 
ATOM   2603 N NH2    A ARG   B 1 57  ? -14.758 -10.702 -31.344 0.58 33.78 ? 74  ARG   B NH2    1 
ATOM   2604 N NH2    B ARG   B 1 57  ? -13.664 -11.072 -33.480 0.42 34.96 ? 74  ARG   B NH2    1 
ATOM   2605 H H      A ARG   B 1 57  ? -8.250  -14.555 -28.030 0.58 29.10 ? 74  ARG   B H      1 
ATOM   2606 H H      B ARG   B 1 57  ? -8.250  -14.556 -28.030 0.42 29.10 ? 74  ARG   B H      1 
ATOM   2607 H HA     A ARG   B 1 57  ? -10.819 -14.479 -28.455 0.58 29.23 ? 74  ARG   B HA     1 
ATOM   2608 H HA     B ARG   B 1 57  ? -10.811 -14.471 -28.443 0.42 29.26 ? 74  ARG   B HA     1 
ATOM   2609 H HB2    A ARG   B 1 57  ? -9.393  -12.729 -29.069 0.58 31.46 ? 74  ARG   B HB2    1 
ATOM   2610 H HB2    B ARG   B 1 57  ? -9.811  -12.643 -29.153 0.42 31.47 ? 74  ARG   B HB2    1 
ATOM   2611 H HB3    A ARG   B 1 57  ? -8.805  -13.634 -30.235 0.58 31.46 ? 74  ARG   B HB3    1 
ATOM   2612 H HB3    B ARG   B 1 57  ? -8.702  -13.452 -29.954 0.42 31.47 ? 74  ARG   B HB3    1 
ATOM   2613 H HG2    A ARG   B 1 57  ? -10.309 -12.127 -31.106 0.58 35.20 ? 74  ARG   B HG2    1 
ATOM   2614 H HG2    B ARG   B 1 57  ? -10.034 -12.419 -31.520 0.42 37.39 ? 74  ARG   B HG2    1 
ATOM   2615 H HG3    A ARG   B 1 57  ? -10.875 -13.601 -31.288 0.58 35.20 ? 74  ARG   B HG3    1 
ATOM   2616 H HG3    B ARG   B 1 57  ? -10.373 -13.970 -31.597 0.42 37.39 ? 74  ARG   B HG3    1 
ATOM   2617 H HD2    A ARG   B 1 57  ? -12.368 -13.311 -29.601 0.58 33.17 ? 74  ARG   B HD2    1 
ATOM   2618 H HD2    B ARG   B 1 57  ? -12.410 -13.671 -30.974 0.42 35.30 ? 74  ARG   B HD2    1 
ATOM   2619 H HD3    A ARG   B 1 57  ? -11.690 -11.941 -29.168 0.58 33.17 ? 74  ARG   B HD3    1 
ATOM   2620 H HD3    B ARG   B 1 57  ? -12.008 -12.579 -29.892 0.42 35.30 ? 74  ARG   B HD3    1 
ATOM   2621 H HE     A ARG   B 1 57  ? -12.541 -11.603 -31.592 0.58 35.03 ? 74  ARG   B HE     1 
ATOM   2622 H HE     B ARG   B 1 57  ? -12.711 -11.075 -31.255 0.42 37.50 ? 74  ARG   B HE     1 
ATOM   2623 H HH11   A ARG   B 1 57  ? -14.090 -12.110 -28.707 0.58 36.10 ? 74  ARG   B HH11   1 
ATOM   2624 H HH11   B ARG   B 1 57  ? -11.590 -13.328 -33.392 0.42 38.20 ? 74  ARG   B HH11   1 
ATOM   2625 H HH12   A ARG   B 1 57  ? -15.345 -11.401 -29.087 0.58 36.10 ? 74  ARG   B HH12   1 
ATOM   2626 H HH12   B ARG   B 1 57  ? -12.361 -12.822 -34.562 0.42 38.20 ? 74  ARG   B HH12   1 
ATOM   2627 H HH21   A ARG   B 1 57  ? -14.431 -10.516 -32.118 0.58 40.53 ? 74  ARG   B HH21   1 
ATOM   2628 H HH21   B ARG   B 1 57  ? -14.060 -10.490 -32.986 0.42 41.95 ? 74  ARG   B HH21   1 
ATOM   2629 H HH22   A ARG   B 1 57  ? -15.551 -10.441 -31.139 0.58 40.53 ? 74  ARG   B HH22   1 
ATOM   2630 H HH22   B ARG   B 1 57  ? -13.845 -11.118 -34.320 0.42 41.95 ? 74  ARG   B HH22   1 
ATOM   2631 N N      . LEU   B 1 58  ? -9.290  -16.528 -30.382 1.00 25.85 ? 75  LEU   B N      1 
ATOM   2632 C CA     . LEU   B 1 58  ? -9.538  -17.639 -31.298 1.00 26.85 ? 75  LEU   B CA     1 
ATOM   2633 C C      . LEU   B 1 58  ? -10.251 -18.789 -30.597 1.00 25.06 ? 75  LEU   B C      1 
ATOM   2634 O O      . LEU   B 1 58  ? -11.132 -19.430 -31.184 1.00 25.69 ? 75  LEU   B O      1 
ATOM   2635 C CB     . LEU   B 1 58  ? -8.234  -18.109 -31.938 1.00 29.06 ? 75  LEU   B CB     1 
ATOM   2636 C CG     . LEU   B 1 58  ? -8.344  -19.431 -32.706 1.00 32.23 ? 75  LEU   B CG     1 
ATOM   2637 C CD1    . LEU   B 1 58  ? -9.360  -19.286 -33.825 1.00 35.97 ? 75  LEU   B CD1    1 
ATOM   2638 C CD2    . LEU   B 1 58  ? -6.990  -19.848 -33.266 1.00 35.38 ? 75  LEU   B CD2    1 
ATOM   2639 H H      . LEU   B 1 58  ? -8.462  -16.380 -30.204 1.00 31.02 ? 75  LEU   B H      1 
ATOM   2640 H HA     . LEU   B 1 58  ? -10.114 -17.325 -32.013 1.00 32.22 ? 75  LEU   B HA     1 
ATOM   2641 H HB2    . LEU   B 1 58  ? -7.935  -17.430 -32.563 1.00 34.87 ? 75  LEU   B HB2    1 
ATOM   2642 H HB3    . LEU   B 1 58  ? -7.573  -18.230 -31.238 1.00 34.87 ? 75  LEU   B HB3    1 
ATOM   2643 H HG     . LEU   B 1 58  ? -8.639  -20.130 -32.102 1.00 38.68 ? 75  LEU   B HG     1 
ATOM   2644 H HD11   . LEU   B 1 58  ? -9.347  -20.089 -34.369 1.00 43.17 ? 75  LEU   B HD11   1 
ATOM   2645 H HD12   . LEU   B 1 58  ? -10.241 -19.165 -33.437 1.00 43.17 ? 75  LEU   B HD12   1 
ATOM   2646 H HD13   . LEU   B 1 58  ? -9.128  -18.516 -34.365 1.00 43.17 ? 75  LEU   B HD13   1 
ATOM   2647 H HD21   . LEU   B 1 58  ? -7.091  -20.683 -33.748 1.00 42.45 ? 75  LEU   B HD21   1 
ATOM   2648 H HD22   . LEU   B 1 58  ? -6.670  -19.156 -33.865 1.00 42.45 ? 75  LEU   B HD22   1 
ATOM   2649 H HD23   . LEU   B 1 58  ? -6.367  -19.963 -32.531 1.00 42.45 ? 75  LEU   B HD23   1 
ATOM   2650 N N      . ILE   B 1 59  ? -9.877  -19.070 -29.347 1.00 23.57 ? 76  ILE   B N      1 
ATOM   2651 C CA     . ILE   B 1 59  ? -10.590 -20.087 -28.570 1.00 22.04 ? 76  ILE   B CA     1 
ATOM   2652 C C      . ILE   B 1 59  ? -12.071 -19.739 -28.468 1.00 20.77 ? 76  ILE   B C      1 
ATOM   2653 O O      . ILE   B 1 59  ? -12.947 -20.578 -28.726 1.00 21.18 ? 76  ILE   B O      1 
ATOM   2654 C CB     . ILE   B 1 59  ? -9.959  -20.238 -27.177 1.00 21.01 ? 76  ILE   B CB     1 
ATOM   2655 C CG1    . ILE   B 1 59  ? -8.578  -20.875 -27.266 1.00 23.95 ? 76  ILE   B CG1    1 
ATOM   2656 C CG2    . ILE   B 1 59  ? -10.878 -21.040 -26.256 1.00 20.01 ? 76  ILE   B CG2    1 
ATOM   2657 C CD1    . ILE   B 1 59  ? -7.746  -20.675 -26.028 1.00 26.78 ? 76  ILE   B CD1    1 
ATOM   2658 H H      . ILE   B 1 59  ? -9.225  -18.694 -28.932 1.00 28.28 ? 76  ILE   B H      1 
ATOM   2659 H HA     . ILE   B 1 59  ? -10.510 -20.935 -29.034 1.00 26.45 ? 76  ILE   B HA     1 
ATOM   2660 H HB     . ILE   B 1 59  ? -9.850  -19.351 -26.799 1.00 25.21 ? 76  ILE   B HB     1 
ATOM   2661 H HG12   . ILE   B 1 59  ? -8.681  -21.829 -27.404 1.00 28.74 ? 76  ILE   B HG12   1 
ATOM   2662 H HG13   . ILE   B 1 59  ? -8.099  -20.481 -28.013 1.00 28.74 ? 76  ILE   B HG13   1 
ATOM   2663 H HG21   . ILE   B 1 59  ? -10.364 -21.361 -25.499 1.00 24.01 ? 76  ILE   B HG21   1 
ATOM   2664 H HG22   . ILE   B 1 59  ? -11.596 -20.465 -25.949 1.00 24.01 ? 76  ILE   B HG22   1 
ATOM   2665 H HG23   . ILE   B 1 59  ? -11.243 -21.790 -26.750 1.00 24.01 ? 76  ILE   B HG23   1 
ATOM   2666 H HD11   . ILE   B 1 59  ? -6.846  -20.994 -26.197 1.00 32.14 ? 76  ILE   B HD11   1 
ATOM   2667 H HD12   . ILE   B 1 59  ? -7.727  -19.730 -25.810 1.00 32.14 ? 76  ILE   B HD12   1 
ATOM   2668 H HD13   . ILE   B 1 59  ? -8.143  -21.175 -25.297 1.00 32.14 ? 76  ILE   B HD13   1 
ATOM   2669 N N      . HIS   B 1 60  ? -12.370 -18.494 -28.100 1.00 20.21 ? 77  HIS   B N      1 
ATOM   2670 C CA     . HIS   B 1 60  ? -13.760 -18.066 -27.963 1.00 19.35 ? 77  HIS   B CA     1 
ATOM   2671 C C      . HIS   B 1 60  ? -14.517 -18.212 -29.279 1.00 20.53 ? 77  HIS   B C      1 
ATOM   2672 O O      . HIS   B 1 60  ? -15.630 -18.761 -29.312 1.00 20.07 ? 77  HIS   B O      1 
ATOM   2673 C CB     . HIS   B 1 60  ? -13.812 -16.624 -27.454 1.00 20.10 ? 77  HIS   B CB     1 
ATOM   2674 C CG     . HIS   B 1 60  ? -15.192 -16.053 -27.391 1.00 19.00 ? 77  HIS   B CG     1 
ATOM   2675 N ND1    . HIS   B 1 60  ? -15.789 -15.421 -28.463 1.00 21.25 ? 77  HIS   B ND1    1 
ATOM   2676 C CD2    . HIS   B 1 60  ? -16.089 -16.004 -26.378 1.00 19.81 ? 77  HIS   B CD2    1 
ATOM   2677 C CE1    . HIS   B 1 60  ? -16.997 -15.011 -28.109 1.00 20.40 ? 77  HIS   B CE1    1 
ATOM   2678 N NE2    . HIS   B 1 60  ? -17.200 -15.344 -26.846 1.00 20.11 ? 77  HIS   B NE2    1 
ATOM   2679 H H      . HIS   B 1 60  ? -11.791 -17.882 -27.924 1.00 24.25 ? 77  HIS   B H      1 
ATOM   2680 H HA     . HIS   B 1 60  ? -14.200 -18.631 -27.308 1.00 23.22 ? 77  HIS   B HA     1 
ATOM   2681 H HB2    . HIS   B 1 60  ? -13.440 -16.597 -26.559 1.00 24.12 ? 77  HIS   B HB2    1 
ATOM   2682 H HB3    . HIS   B 1 60  ? -13.288 -16.065 -28.049 1.00 24.12 ? 77  HIS   B HB3    1 
ATOM   2683 H HD1    . HIS   B 1 60  ? -15.433 -15.311 -29.238 1.00 25.50 ? 77  HIS   B HD1    1 
ATOM   2684 H HD2    . HIS   B 1 60  ? -15.974 -16.353 -25.523 1.00 23.77 ? 77  HIS   B HD2    1 
ATOM   2685 H HE1    . HIS   B 1 60  ? -17.602 -14.565 -28.657 1.00 24.48 ? 77  HIS   B HE1    1 
ATOM   2686 N N      . GLU   B 1 61  ? -13.936 -17.728 -30.373 1.00 22.49 ? 78  GLU   B N      1 
ATOM   2687 C CA     . GLU   B 1 61  ? -14.641 -17.777 -31.652 1.00 24.11 ? 78  GLU   B CA     1 
ATOM   2688 C C      . GLU   B 1 61  ? -14.846 -19.206 -32.134 1.00 24.78 ? 78  GLU   B C      1 
ATOM   2689 O O      . GLU   B 1 61  ? -15.919 -19.540 -32.650 1.00 25.03 ? 78  GLU   B O      1 
ATOM   2690 C CB     . GLU   B 1 61  ? -13.895 -16.944 -32.692 1.00 27.10 ? 78  GLU   B CB     1 
ATOM   2691 C CG     . GLU   B 1 61  ? -13.838 -15.478 -32.300 1.00 29.17 ? 78  GLU   B CG     1 
ATOM   2692 C CD     . GLU   B 1 61  ? -15.217 -14.852 -32.222 1.00 29.05 ? 78  GLU   B CD     1 
ATOM   2693 O OE1    . GLU   B 1 61  ? -15.876 -14.737 -33.281 1.00 38.99 ? 78  GLU   B OE1    1 
ATOM   2694 O OE2    . GLU   B 1 61  ? -15.655 -14.505 -31.102 1.00 26.80 ? 78  GLU   B OE2    1 
ATOM   2695 H H      . GLU   B 1 61  ? -13.153 -17.375 -30.403 1.00 26.98 ? 78  GLU   B H      1 
ATOM   2696 H HA     . GLU   B 1 61  ? -15.522 -17.386 -31.535 1.00 28.93 ? 78  GLU   B HA     1 
ATOM   2697 H HB2    . GLU   B 1 61  ? -12.987 -17.273 -32.775 1.00 32.52 ? 78  GLU   B HB2    1 
ATOM   2698 H HB3    . GLU   B 1 61  ? -14.352 -17.013 -33.545 1.00 32.52 ? 78  GLU   B HB3    1 
ATOM   2699 H HG2    . GLU   B 1 61  ? -13.420 -15.399 -31.428 1.00 35.00 ? 78  GLU   B HG2    1 
ATOM   2700 H HG3    . GLU   B 1 61  ? -13.321 -14.992 -32.961 1.00 35.00 ? 78  GLU   B HG3    1 
ATOM   2701 N N      . GLN   B 1 62  ? -13.830 -20.058 -32.001 1.00 24.85 ? 79  GLN   B N      1 
ATOM   2702 C CA     . GLN   B 1 62  ? -13.992 -21.440 -32.438 1.00 25.72 ? 79  GLN   B CA     1 
ATOM   2703 C C      . GLN   B 1 62  ? -15.041 -22.150 -31.595 1.00 24.12 ? 79  GLN   B C      1 
ATOM   2704 O O      . GLN   B 1 62  ? -15.869 -22.896 -32.124 1.00 24.77 ? 79  GLN   B O      1 
ATOM   2705 C CB     . GLN   B 1 62  ? -12.653 -22.177 -32.382 1.00 29.07 ? 79  GLN   B CB     1 
ATOM   2706 C CG     . GLN   B 1 62  ? -12.762 -23.688 -32.540 1.00 37.87 ? 79  GLN   B CG     1 
ATOM   2707 C CD     . GLN   B 1 62  ? -13.041 -24.111 -33.970 1.00 43.62 ? 79  GLN   B CD     1 
ATOM   2708 O OE1    . GLN   B 1 62  ? -12.122 -24.286 -34.770 1.00 45.63 ? 79  GLN   B OE1    1 
ATOM   2709 N NE2    . GLN   B 1 62  ? -14.320 -24.274 -34.300 1.00 41.33 ? 79  GLN   B NE2    1 
ATOM   2710 H H      . GLN   B 1 62  ? -13.059 -19.866 -31.671 1.00 29.82 ? 79  GLN   B H      1 
ATOM   2711 H HA     . GLN   B 1 62  ? -14.287 -21.448 -33.362 1.00 30.87 ? 79  GLN   B HA     1 
ATOM   2712 H HB2    . GLN   B 1 62  ? -12.088 -21.846 -33.097 1.00 34.89 ? 79  GLN   B HB2    1 
ATOM   2713 H HB3    . GLN   B 1 62  ? -12.238 -22.000 -31.523 1.00 34.89 ? 79  GLN   B HB3    1 
ATOM   2714 H HG2    . GLN   B 1 62  ? -11.925 -24.095 -32.265 1.00 45.45 ? 79  GLN   B HG2    1 
ATOM   2715 H HG3    . GLN   B 1 62  ? -13.487 -24.012 -31.984 1.00 45.45 ? 79  GLN   B HG3    1 
ATOM   2716 H HE21   . GLN   B 1 62  ? -14.936 -24.139 -33.715 1.00 49.59 ? 79  GLN   B HE21   1 
ATOM   2717 H HE22   . GLN   B 1 62  ? -14.531 -24.514 -35.099 1.00 49.59 ? 79  GLN   B HE22   1 
ATOM   2718 N N      . ASP   B 1 63  ? -15.008 -21.942 -30.283 1.00 22.28 ? 80  ASP   B N      1 
ATOM   2719 C CA     . ASP   B 1 63  ? -15.973 -22.590 -29.403 1.00 21.85 ? 80  ASP   B CA     1 
ATOM   2720 C C      . ASP   B 1 63  ? -17.392 -22.133 -29.709 1.00 21.12 ? 80  ASP   B C      1 
ATOM   2721 O O      . ASP   B 1 63  ? -18.329 -22.940 -29.701 1.00 21.83 ? 80  ASP   B O      1 
ATOM   2722 C CB     . ASP   B 1 63  ? -15.634 -22.285 -27.949 1.00 18.83 ? 80  ASP   B CB     1 
ATOM   2723 C CG     . ASP   B 1 63  ? -14.472 -23.094 -27.430 1.00 19.62 ? 80  ASP   B CG     1 
ATOM   2724 O OD1    . ASP   B 1 63  ? -13.924 -23.934 -28.151 1.00 23.39 ? 80  ASP   B OD1    1 
ATOM   2725 O OD2    . ASP   B 1 63  ? -14.114 -22.830 -26.247 1.00 19.56 ? 80  ASP   B OD2    1 
ATOM   2726 H H      . ASP   B 1 63  ? -14.442 -21.435 -29.880 1.00 26.74 ? 80  ASP   B H      1 
ATOM   2727 H HA     . ASP   B 1 63  ? -15.923 -23.549 -29.539 1.00 26.22 ? 80  ASP   B HA     1 
ATOM   2728 H HB2    . ASP   B 1 63  ? -15.403 -21.346 -27.871 1.00 22.60 ? 80  ASP   B HB2    1 
ATOM   2729 H HB3    . ASP   B 1 63  ? -16.407 -22.484 -27.397 1.00 22.60 ? 80  ASP   B HB3    1 
ATOM   2730 N N      . LEU   B 1 64  ? -17.568 -20.847 -30.013 1.00 20.56 ? 81  LEU   B N      1 
ATOM   2731 C CA     . LEU   B 1 64  ? -18.901 -20.351 -30.352 1.00 20.64 ? 81  LEU   B CA     1 
ATOM   2732 C C      . LEU   B 1 64  ? -19.397 -20.972 -31.649 1.00 23.90 ? 81  LEU   B C      1 
ATOM   2733 O O      . LEU   B 1 64  ? -20.594 -21.248 -31.796 1.00 23.07 ? 81  LEU   B O      1 
ATOM   2734 C CB     . LEU   B 1 64  ? -18.845 -18.839 -30.511 1.00 23.45 ? 81  LEU   B CB     1 
ATOM   2735 C CG     . LEU   B 1 64  ? -19.305 -17.917 -29.391 1.00 30.04 ? 81  LEU   B CG     1 
ATOM   2736 C CD1    . LEU   B 1 64  ? -19.490 -16.530 -30.020 1.00 32.34 ? 81  LEU   B CD1    1 
ATOM   2737 C CD2    . LEU   B 1 64  ? -20.576 -18.348 -28.699 1.00 25.83 ? 81  LEU   B CD2    1 
ATOM   2738 H H      . LEU   B 1 64  ? -16.946 -20.253 -30.029 1.00 24.67 ? 81  LEU   B H      1 
ATOM   2739 H HA     . LEU   B 1 64  ? -19.516 -20.579 -29.638 1.00 24.77 ? 81  LEU   B HA     1 
ATOM   2740 H HB2    . LEU   B 1 64  ? -17.919 -18.607 -30.683 1.00 28.14 ? 81  LEU   B HB2    1 
ATOM   2741 H HB3    . LEU   B 1 64  ? -19.391 -18.616 -31.281 1.00 28.14 ? 81  LEU   B HB3    1 
ATOM   2742 H HG     . LEU   B 1 64  ? -18.639 -17.924 -28.686 1.00 36.05 ? 81  LEU   B HG     1 
ATOM   2743 H HD11   . LEU   B 1 64  ? -19.768 -15.906 -29.333 1.00 38.81 ? 81  LEU   B HD11   1 
ATOM   2744 H HD12   . LEU   B 1 64  ? -18.647 -16.244 -30.406 1.00 38.81 ? 81  LEU   B HD12   1 
ATOM   2745 H HD13   . LEU   B 1 64  ? -20.168 -16.585 -30.712 1.00 38.81 ? 81  LEU   B HD13   1 
ATOM   2746 H HD21   . LEU   B 1 64  ? -20.775 -17.723 -27.984 1.00 30.99 ? 81  LEU   B HD21   1 
ATOM   2747 H HD22   . LEU   B 1 64  ? -21.301 -18.354 -29.344 1.00 30.99 ? 81  LEU   B HD22   1 
ATOM   2748 H HD23   . LEU   B 1 64  ? -20.451 -19.238 -28.334 1.00 30.99 ? 81  LEU   B HD23   1 
ATOM   2749 N N      . GLU   B 1 65  ? -18.489 -21.182 -32.604 1.00 23.90 ? 82  GLU   B N      1 
ATOM   2750 C CA     . GLU   B 1 65  ? -18.838 -21.889 -33.832 1.00 26.76 ? 82  GLU   B CA     1 
ATOM   2751 C C      . GLU   B 1 65  ? -19.326 -23.298 -33.524 1.00 25.76 ? 82  GLU   B C      1 
ATOM   2752 O O      . GLU   B 1 65  ? -20.355 -23.746 -34.046 1.00 26.66 ? 82  GLU   B O      1 
ATOM   2753 C CB     . GLU   B 1 65  ? -17.614 -21.967 -34.745 1.00 29.47 ? 82  GLU   B CB     1 
ATOM   2754 C CG     . GLU   B 1 65  ? -17.446 -20.798 -35.684 1.00 39.90 ? 82  GLU   B CG     1 
ATOM   2755 C CD     . GLU   B 1 65  ? -16.539 -21.124 -36.857 1.00 50.56 ? 82  GLU   B CD     1 
ATOM   2756 O OE1    . GLU   B 1 65  ? -15.325 -20.835 -36.768 1.00 54.02 ? 82  GLU   B OE1    1 
ATOM   2757 O OE2    . GLU   B 1 65  ? -17.038 -21.672 -37.865 1.00 56.37 ? 82  GLU   B OE2    1 
ATOM   2758 H H      . GLU   B 1 65  ? -17.669 -20.925 -32.564 1.00 28.68 ? 82  GLU   B H      1 
ATOM   2759 H HA     . GLU   B 1 65  ? -19.543 -21.400 -34.285 1.00 32.12 ? 82  GLU   B HA     1 
ATOM   2760 H HB2    . GLU   B 1 65  ? -16.819 -22.011 -34.191 1.00 35.36 ? 82  GLU   B HB2    1 
ATOM   2761 H HB3    . GLU   B 1 65  ? -17.685 -22.768 -35.288 1.00 35.36 ? 82  GLU   B HB3    1 
ATOM   2762 H HG2    . GLU   B 1 65  ? -18.314 -20.546 -36.035 1.00 47.88 ? 82  GLU   B HG2    1 
ATOM   2763 H HG3    . GLU   B 1 65  ? -17.056 -20.054 -35.198 1.00 47.88 ? 82  GLU   B HG3    1 
ATOM   2764 N N      . TRP   B 1 66  ? -18.589 -24.020 -32.676 1.00 24.65 ? 83  TRP   B N      1 
ATOM   2765 C CA     . TRP   B 1 66  ? -18.988 -25.383 -32.344 1.00 25.56 ? 83  TRP   B CA     1 
ATOM   2766 C C      . TRP   B 1 66  ? -20.291 -25.399 -31.561 1.00 22.76 ? 83  TRP   B C      1 
ATOM   2767 O O      . TRP   B 1 66  ? -21.137 -26.274 -31.771 1.00 24.17 ? 83  TRP   B O      1 
ATOM   2768 C CB     . TRP   B 1 66  ? -17.908 -26.090 -31.530 1.00 25.93 ? 83  TRP   B CB     1 
ATOM   2769 C CG     . TRP   B 1 66  ? -16.709 -26.504 -32.304 1.00 28.57 ? 83  TRP   B CG     1 
ATOM   2770 C CD1    . TRP   B 1 66  ? -16.665 -26.919 -33.604 1.00 34.57 ? 83  TRP   B CD1    1 
ATOM   2771 C CD2    . TRP   B 1 66  ? -15.371 -26.587 -31.810 1.00 31.76 ? 83  TRP   B CD2    1 
ATOM   2772 N NE1    . TRP   B 1 66  ? -15.375 -27.236 -33.953 1.00 35.53 ? 83  TRP   B NE1    1 
ATOM   2773 C CE2    . TRP   B 1 66  ? -14.562 -27.042 -32.868 1.00 39.55 ? 83  TRP   B CE2    1 
ATOM   2774 C CE3    . TRP   B 1 66  ? -14.777 -26.312 -30.575 1.00 36.78 ? 83  TRP   B CE3    1 
ATOM   2775 C CZ2    . TRP   B 1 66  ? -13.188 -27.228 -32.729 1.00 43.42 ? 83  TRP   B CZ2    1 
ATOM   2776 C CZ3    . TRP   B 1 66  ? -13.414 -26.494 -30.439 1.00 38.42 ? 83  TRP   B CZ3    1 
ATOM   2777 C CH2    . TRP   B 1 66  ? -12.635 -26.949 -31.508 1.00 41.15 ? 83  TRP   B CH2    1 
ATOM   2778 H H      . TRP   B 1 66  ? -17.870 -23.748 -32.290 1.00 29.58 ? 83  TRP   B H      1 
ATOM   2779 H HA     . TRP   B 1 66  ? -19.106 -25.864 -33.178 1.00 30.67 ? 83  TRP   B HA     1 
ATOM   2780 H HB2    . TRP   B 1 66  ? -17.609 -25.489 -30.830 1.00 31.11 ? 83  TRP   B HB2    1 
ATOM   2781 H HB3    . TRP   B 1 66  ? -18.293 -26.890 -31.139 1.00 31.11 ? 83  TRP   B HB3    1 
ATOM   2782 H HD1    . TRP   B 1 66  ? -17.400 -26.977 -34.171 1.00 41.49 ? 83  TRP   B HD1    1 
ATOM   2783 H HE1    . TRP   B 1 66  ? -15.119 -27.512 -34.727 1.00 42.63 ? 83  TRP   B HE1    1 
ATOM   2784 H HE3    . TRP   B 1 66  ? -15.289 -26.012 -29.858 1.00 44.13 ? 83  TRP   B HE3    1 
ATOM   2785 H HZ2    . TRP   B 1 66  ? -12.667 -27.530 -33.437 1.00 52.11 ? 83  TRP   B HZ2    1 
ATOM   2786 H HZ3    . TRP   B 1 66  ? -13.008 -26.310 -29.623 1.00 46.10 ? 83  TRP   B HZ3    1 
ATOM   2787 H HH2    . TRP   B 1 66  ? -11.721 -27.065 -31.386 1.00 49.38 ? 83  TRP   B HH2    1 
ATOM   2788 N N      . LEU   B 1 67  ? -20.466 -24.446 -30.641 1.00 20.79 ? 84  LEU   B N      1 
ATOM   2789 C CA     . LEU   B 1 67  ? -21.705 -24.398 -29.877 1.00 20.01 ? 84  LEU   B CA     1 
ATOM   2790 C C      . LEU   B 1 67  ? -22.899 -24.233 -30.805 1.00 20.61 ? 84  LEU   B C      1 
ATOM   2791 O O      . LEU   B 1 67  ? -23.935 -24.880 -30.619 1.00 24.56 ? 84  LEU   B O      1 
ATOM   2792 C CB     . LEU   B 1 67  ? -21.671 -23.255 -28.864 1.00 19.98 ? 84  LEU   B CB     1 
ATOM   2793 C CG     . LEU   B 1 67  ? -21.060 -23.475 -27.490 1.00 25.24 ? 84  LEU   B CG     1 
ATOM   2794 C CD1    . LEU   B 1 67  ? -20.904 -22.116 -26.809 1.00 23.60 ? 84  LEU   B CD1    1 
ATOM   2795 C CD2    . LEU   B 1 67  ? -21.897 -24.427 -26.650 1.00 23.71 ? 84  LEU   B CD2    1 
ATOM   2796 H H      . LEU   B 1 67  ? -19.894 -23.833 -30.448 1.00 24.95 ? 84  LEU   B H      1 
ATOM   2797 H HA     . LEU   B 1 67  ? -21.797 -25.228 -29.384 1.00 24.02 ? 84  LEU   B HA     1 
ATOM   2798 H HB2    . LEU   B 1 67  ? -21.172 -22.528 -29.269 1.00 23.97 ? 84  LEU   B HB2    1 
ATOM   2799 H HB3    . LEU   B 1 67  ? -22.589 -22.981 -28.711 1.00 23.97 ? 84  LEU   B HB3    1 
ATOM   2800 H HG     . LEU   B 1 67  ? -20.189 -23.893 -27.576 1.00 30.29 ? 84  LEU   B HG     1 
ATOM   2801 H HD11   . LEU   B 1 67  ? -20.510 -22.245 -25.932 1.00 28.32 ? 84  LEU   B HD11   1 
ATOM   2802 H HD12   . LEU   B 1 67  ? -20.327 -21.556 -27.352 1.00 28.32 ? 84  LEU   B HD12   1 
ATOM   2803 H HD13   . LEU   B 1 67  ? -21.778 -21.704 -26.722 1.00 28.32 ? 84  LEU   B HD13   1 
ATOM   2804 H HD21   . LEU   B 1 67  ? -21.474 -24.541 -25.785 1.00 28.46 ? 84  LEU   B HD21   1 
ATOM   2805 H HD22   . LEU   B 1 67  ? -22.785 -24.052 -26.537 1.00 28.46 ? 84  LEU   B HD22   1 
ATOM   2806 H HD23   . LEU   B 1 67  ? -21.955 -25.282 -27.105 1.00 28.46 ? 84  LEU   B HD23   1 
ATOM   2807 N N      . GLN   B 1 68  ? -22.762 -23.380 -31.823 1.00 22.06 ? 85  GLN   B N      1 
ATOM   2808 C CA     . GLN   B 1 68  ? -23.838 -23.169 -32.789 1.00 23.73 ? 85  GLN   B CA     1 
ATOM   2809 C C      . GLN   B 1 68  ? -24.127 -24.430 -33.597 1.00 25.53 ? 85  GLN   B C      1 
ATOM   2810 O O      . GLN   B 1 68  ? -25.256 -24.613 -34.084 1.00 26.61 ? 85  GLN   B O      1 
ATOM   2811 C CB     . GLN   B 1 68  ? -23.453 -22.007 -33.711 1.00 25.95 ? 85  GLN   B CB     1 
ATOM   2812 C CG     . GLN   B 1 68  ? -23.655 -20.660 -33.042 1.00 27.69 ? 85  GLN   B CG     1 
ATOM   2813 C CD     . GLN   B 1 68  ? -23.277 -19.483 -33.916 1.00 31.72 ? 85  GLN   B CD     1 
ATOM   2814 O OE1    . GLN   B 1 68  ? -24.125 -18.891 -34.573 1.00 34.46 ? 85  GLN   B OE1    1 
ATOM   2815 N NE2    . GLN   B 1 68  ? -21.997 -19.123 -33.908 1.00 39.41 ? 85  GLN   B NE2    1 
ATOM   2816 H H      . GLN   B 1 68  ? -22.057 -22.912 -31.976 1.00 26.47 ? 85  GLN   B H      1 
ATOM   2817 H HA     . GLN   B 1 68  ? -24.655 -22.936 -32.321 1.00 28.47 ? 85  GLN   B HA     1 
ATOM   2818 H HB2    . GLN   B 1 68  ? -22.517 -22.089 -33.953 1.00 31.14 ? 85  GLN   B HB2    1 
ATOM   2819 H HB3    . GLN   B 1 68  ? -24.005 -22.037 -34.508 1.00 31.14 ? 85  GLN   B HB3    1 
ATOM   2820 H HG2    . GLN   B 1 68  ? -24.592 -20.565 -32.807 1.00 33.23 ? 85  GLN   B HG2    1 
ATOM   2821 H HG3    . GLN   B 1 68  ? -23.107 -20.623 -32.242 1.00 33.23 ? 85  GLN   B HG3    1 
ATOM   2822 H HE21   . GLN   B 1 68  ? -21.433 -19.553 -33.422 1.00 47.29 ? 85  GLN   B HE21   1 
ATOM   2823 H HE22   . GLN   B 1 68  ? -21.734 -18.461 -34.389 1.00 47.29 ? 85  GLN   B HE22   1 
ATOM   2824 N N      . GLN   B 1 69  ? -23.124 -25.291 -33.775 1.00 25.08 ? 86  GLN   B N      1 
ATOM   2825 C CA     . GLN   B 1 69  ? -23.270 -26.523 -34.534 1.00 28.09 ? 86  GLN   B CA     1 
ATOM   2826 C C      . GLN   B 1 69  ? -23.769 -27.689 -33.694 1.00 25.82 ? 86  GLN   B C      1 
ATOM   2827 O O      . GLN   B 1 69  ? -24.032 -28.762 -34.254 1.00 28.94 ? 86  GLN   B O      1 
ATOM   2828 C CB     . GLN   B 1 69  ? -21.921 -26.947 -35.134 1.00 32.98 ? 86  GLN   B CB     1 
ATOM   2829 C CG     . GLN   B 1 69  ? -21.347 -26.031 -36.192 1.00 39.68 ? 86  GLN   B CG     1 
ATOM   2830 C CD     . GLN   B 1 69  ? -19.916 -26.399 -36.569 1.00 46.34 ? 86  GLN   B CD     1 
ATOM   2831 O OE1    . GLN   B 1 69  ? -19.125 -25.538 -36.953 1.00 49.04 ? 86  GLN   B OE1    1 
ATOM   2832 N NE2    . GLN   B 1 69  ? -19.576 -27.679 -36.439 1.00 45.45 ? 86  GLN   B NE2    1 
ATOM   2833 H H      . GLN   B 1 69  ? -22.333 -25.177 -33.456 1.00 30.10 ? 86  GLN   B H      1 
ATOM   2834 H HA     . GLN   B 1 69  ? -23.900 -26.351 -35.251 1.00 33.71 ? 86  GLN   B HA     1 
ATOM   2835 H HB2    . GLN   B 1 69  ? -21.272 -26.996 -34.415 1.00 39.58 ? 86  GLN   B HB2    1 
ATOM   2836 H HB3    . GLN   B 1 69  ? -22.032 -27.821 -35.541 1.00 39.58 ? 86  GLN   B HB3    1 
ATOM   2837 H HG2    . GLN   B 1 69  ? -21.893 -26.089 -36.992 1.00 47.61 ? 86  GLN   B HG2    1 
ATOM   2838 H HG3    . GLN   B 1 69  ? -21.346 -25.121 -35.857 1.00 47.61 ? 86  GLN   B HG3    1 
ATOM   2839 H HE21   . GLN   B 1 69  ? -20.152 -28.251 -36.155 1.00 54.55 ? 86  GLN   B HE21   1 
ATOM   2840 H HE22   . GLN   B 1 69  ? -18.779 -27.935 -36.639 1.00 54.55 ? 86  GLN   B HE22   1 
ATOM   2841 N N      . ALA   B 1 70  ? -23.883 -27.524 -32.380 1.00 25.55 ? 87  ALA   B N      1 
ATOM   2842 C CA     . ALA   B 1 70  ? -24.186 -28.649 -31.513 1.00 25.00 ? 87  ALA   B CA     1 
ATOM   2843 C C      . ALA   B 1 70  ? -25.671 -28.979 -31.541 1.00 24.80 ? 87  ALA   B C      1 
ATOM   2844 O O      . ALA   B 1 70  ? -26.520 -28.106 -31.769 1.00 26.05 ? 87  ALA   B O      1 
ATOM   2845 C CB     . ALA   B 1 70  ? -23.763 -28.326 -30.076 1.00 24.72 ? 87  ALA   B CB     1 
ATOM   2846 H H      . ALA   B 1 70  ? -23.791 -26.773 -31.971 1.00 30.66 ? 87  ALA   B H      1 
ATOM   2847 H HA     . ALA   B 1 70  ? -23.700 -29.430 -31.819 1.00 30.00 ? 87  ALA   B HA     1 
ATOM   2848 H HB1    . ALA   B 1 70  ? -23.974 -29.083 -29.507 1.00 29.67 ? 87  ALA   B HB1    1 
ATOM   2849 H HB2    . ALA   B 1 70  ? -22.808 -28.156 -30.058 1.00 29.67 ? 87  ALA   B HB2    1 
ATOM   2850 H HB3    . ALA   B 1 70  ? -24.245 -27.541 -29.773 1.00 29.67 ? 87  ALA   B HB3    1 
ATOM   2851 N N      . ASP   B 1 71  ? -25.973 -30.258 -31.313 1.00 24.93 ? 88  ASP   B N      1 
ATOM   2852 C CA     . ASP   B 1 71  ? -27.326 -30.711 -31.015 1.00 24.49 ? 88  ASP   B CA     1 
ATOM   2853 C C      . ASP   B 1 71  ? -27.587 -30.839 -29.522 1.00 27.44 ? 88  ASP   B C      1 
ATOM   2854 O O      . ASP   B 1 71  ? -28.731 -30.685 -29.074 1.00 28.50 ? 88  ASP   B O      1 
ATOM   2855 C CB     . ASP   B 1 71  ? -27.601 -32.076 -31.664 1.00 26.07 ? 88  ASP   B CB     1 
ATOM   2856 C CG     . ASP   B 1 71  ? -27.477 -32.046 -33.179 1.00 26.06 ? 88  ASP   B CG     1 
ATOM   2857 O OD1    . ASP   B 1 71  ? -28.144 -31.205 -33.804 1.00 32.34 ? 88  ASP   B OD1    1 
ATOM   2858 O OD2    . ASP   B 1 71  ? -26.732 -32.871 -33.747 1.00 33.03 ? 88  ASP   B OD2    1 
ATOM   2859 H H      . ASP   B 1 71  ? -25.395 -30.895 -31.326 1.00 29.92 ? 88  ASP   B H      1 
ATOM   2860 H HA     . ASP   B 1 71  ? -27.950 -30.071 -31.391 1.00 29.38 ? 88  ASP   B HA     1 
ATOM   2861 H HB2    . ASP   B 1 71  ? -26.961 -32.721 -31.325 1.00 31.29 ? 88  ASP   B HB2    1 
ATOM   2862 H HB3    . ASP   B 1 71  ? -28.503 -32.354 -31.443 1.00 31.29 ? 88  ASP   B HB3    1 
ATOM   2863 N N      . VAL   B 1 72  ? -26.570 -31.149 -28.742 1.00 21.08 ? 89  VAL   B N      1 
ATOM   2864 C CA     . VAL   B 1 72  ? -26.715 -31.210 -27.300 1.00 19.99 ? 89  VAL   B CA     1 
ATOM   2865 C C      . VAL   B 1 72  ? -25.436 -30.668 -26.708 1.00 17.61 ? 89  VAL   B C      1 
ATOM   2866 O O      . VAL   B 1 72  ? -24.334 -30.981 -27.184 1.00 18.95 ? 89  VAL   B O      1 
ATOM   2867 C CB     . VAL   B 1 72  ? -26.942 -32.654 -26.822 1.00 21.09 ? 89  VAL   B CB     1 
ATOM   2868 C CG1    . VAL   B 1 72  ? -27.229 -32.705 -25.352 1.00 22.75 ? 89  VAL   B CG1    1 
ATOM   2869 C CG2    . VAL   B 1 72  ? -28.084 -33.298 -27.581 1.00 25.31 ? 89  VAL   B CG2    1 
ATOM   2870 H H      . VAL   B 1 72  ? -25.779 -31.330 -29.026 1.00 25.30 ? 89  VAL   B H      1 
ATOM   2871 H HA     . VAL   B 1 72  ? -27.468 -30.670 -27.014 1.00 23.99 ? 89  VAL   B HA     1 
ATOM   2872 H HB     . VAL   B 1 72  ? -26.127 -33.151 -26.992 1.00 25.31 ? 89  VAL   B HB     1 
ATOM   2873 H HG11   . VAL   B 1 72  ? -27.438 -33.619 -25.102 1.00 27.30 ? 89  VAL   B HG11   1 
ATOM   2874 H HG12   . VAL   B 1 72  ? -26.447 -32.400 -24.866 1.00 27.30 ? 89  VAL   B HG12   1 
ATOM   2875 H HG13   . VAL   B 1 72  ? -27.985 -32.128 -25.157 1.00 27.30 ? 89  VAL   B HG13   1 
ATOM   2876 H HG21   . VAL   B 1 72  ? -28.286 -34.157 -27.179 1.00 30.37 ? 89  VAL   B HG21   1 
ATOM   2877 H HG22   . VAL   B 1 72  ? -28.861 -32.719 -27.534 1.00 30.37 ? 89  VAL   B HG22   1 
ATOM   2878 H HG23   . VAL   B 1 72  ? -27.819 -33.420 -28.506 1.00 30.37 ? 89  VAL   B HG23   1 
ATOM   2879 N N      . VAL   B 1 73  ? -25.589 -29.854 -25.666 1.00 16.82 ? 90  VAL   B N      1 
ATOM   2880 C CA     . VAL   B 1 73  ? -24.476 -29.327 -24.889 1.00 16.43 ? 90  VAL   B CA     1 
ATOM   2881 C C      . VAL   B 1 73  ? -24.509 -30.029 -23.538 1.00 15.15 ? 90  VAL   B C      1 
ATOM   2882 O O      . VAL   B 1 73  ? -25.534 -29.983 -22.839 1.00 18.36 ? 90  VAL   B O      1 
ATOM   2883 C CB     . VAL   B 1 73  ? -24.608 -27.803 -24.720 1.00 15.83 ? 90  VAL   B CB     1 
ATOM   2884 C CG1    . VAL   B 1 73  ? -23.499 -27.250 -23.811 1.00 16.57 ? 90  VAL   B CG1    1 
ATOM   2885 C CG2    . VAL   B 1 73  ? -24.611 -27.126 -26.082 1.00 17.84 ? 90  VAL   B CG2    1 
ATOM   2886 H H      . VAL   B 1 73  ? -26.356 -29.586 -25.382 1.00 20.18 ? 90  VAL   B H      1 
ATOM   2887 H HA     . VAL   B 1 73  ? -23.632 -29.522 -25.325 1.00 19.72 ? 90  VAL   B HA     1 
ATOM   2888 H HB     . VAL   B 1 73  ? -25.451 -27.602 -24.285 1.00 18.99 ? 90  VAL   B HB     1 
ATOM   2889 H HG11   . VAL   B 1 73  ? -23.502 -26.281 -23.863 1.00 19.89 ? 90  VAL   B HG11   1 
ATOM   2890 H HG12   . VAL   B 1 73  ? -23.668 -27.532 -22.899 1.00 19.89 ? 90  VAL   B HG12   1 
ATOM   2891 H HG13   . VAL   B 1 73  ? -22.644 -27.595 -24.111 1.00 19.89 ? 90  VAL   B HG13   1 
ATOM   2892 H HG21   . VAL   B 1 73  ? -24.640 -26.165 -25.957 1.00 21.40 ? 90  VAL   B HG21   1 
ATOM   2893 H HG22   . VAL   B 1 73  ? -23.804 -27.374 -26.560 1.00 21.40 ? 90  VAL   B HG22   1 
ATOM   2894 H HG23   . VAL   B 1 73  ? -25.392 -27.419 -26.578 1.00 21.40 ? 90  VAL   B HG23   1 
ATOM   2895 N N      . VAL   B 1 74  ? -23.406 -30.673 -23.166 1.00 15.33 ? 91  VAL   B N      1 
ATOM   2896 C CA     . VAL   B 1 74  ? -23.285 -31.411 -21.911 1.00 14.95 ? 91  VAL   B CA     1 
ATOM   2897 C C      . VAL   B 1 74  ? -22.225 -30.719 -21.061 1.00 14.70 ? 91  VAL   B C      1 
ATOM   2898 O O      . VAL   B 1 74  ? -21.094 -30.541 -21.519 1.00 16.02 ? 91  VAL   B O      1 
ATOM   2899 C CB     . VAL   B 1 74  ? -22.894 -32.880 -22.174 1.00 16.65 ? 91  VAL   B CB     1 
ATOM   2900 C CG1    . VAL   B 1 74  ? -22.727 -33.604 -20.855 1.00 16.77 ? 91  VAL   B CG1    1 
ATOM   2901 C CG2    . VAL   B 1 74  ? -23.924 -33.566 -23.071 1.00 17.93 ? 91  VAL   B CG2    1 
ATOM   2902 H H      . VAL   B 1 74  ? -22.689 -30.698 -23.641 1.00 18.40 ? 91  VAL   B H      1 
ATOM   2903 H HA     . VAL   B 1 74  ? -24.128 -31.391 -21.431 1.00 17.94 ? 91  VAL   B HA     1 
ATOM   2904 H HB     . VAL   B 1 74  ? -22.047 -32.913 -22.645 1.00 19.98 ? 91  VAL   B HB     1 
ATOM   2905 H HG11   . VAL   B 1 74  ? -22.696 -34.559 -21.020 1.00 20.13 ? 91  VAL   B HG11   1 
ATOM   2906 H HG12   . VAL   B 1 74  ? -21.900 -33.314 -20.438 1.00 20.13 ? 91  VAL   B HG12   1 
ATOM   2907 H HG13   . VAL   B 1 74  ? -23.479 -33.392 -20.280 1.00 20.13 ? 91  VAL   B HG13   1 
ATOM   2908 H HG21   . VAL   B 1 74  ? -23.673 -34.496 -23.186 1.00 21.51 ? 91  VAL   B HG21   1 
ATOM   2909 H HG22   . VAL   B 1 74  ? -24.797 -33.508 -22.652 1.00 21.51 ? 91  VAL   B HG22   1 
ATOM   2910 H HG23   . VAL   B 1 74  ? -23.940 -33.120 -23.932 1.00 21.51 ? 91  VAL   B HG23   1 
ATOM   2911 N N      . ALA   B 1 75  ? -22.565 -30.366 -19.829 1.00 13.31 ? 92  ALA   B N      1 
ATOM   2912 C CA     . ALA   B 1 75  ? -21.636 -29.639 -18.968 1.00 12.79 ? 92  ALA   B CA     1 
ATOM   2913 C C      . ALA   B 1 75  ? -21.532 -30.335 -17.626 1.00 12.69 ? 92  ALA   B C      1 
ATOM   2914 O O      . ALA   B 1 75  ? -22.558 -30.660 -17.013 1.00 13.81 ? 92  ALA   B O      1 
ATOM   2915 C CB     . ALA   B 1 75  ? -22.136 -28.218 -18.743 1.00 12.67 ? 92  ALA   B CB     1 
ATOM   2916 H H      . ALA   B 1 75  ? -23.327 -30.535 -19.468 1.00 15.97 ? 92  ALA   B H      1 
ATOM   2917 H HA     . ALA   B 1 75  ? -20.758 -29.627 -19.380 1.00 15.35 ? 92  ALA   B HA     1 
ATOM   2918 H HB1    . ALA   B 1 75  ? -21.511 -27.751 -18.166 1.00 15.20 ? 92  ALA   B HB1    1 
ATOM   2919 H HB2    . ALA   B 1 75  ? -22.197 -27.766 -19.599 1.00 15.20 ? 92  ALA   B HB2    1 
ATOM   2920 H HB3    . ALA   B 1 75  ? -23.010 -28.254 -18.324 1.00 15.20 ? 92  ALA   B HB3    1 
ATOM   2921 N N      . GLU   B 1 76  ? -20.318 -30.535 -17.154 1.00 12.83 ? 93  GLU   B N      1 
ATOM   2922 C CA     . GLU   B 1 76  ? -20.070 -31.018 -15.797 1.00 12.40 ? 93  GLU   B CA     1 
ATOM   2923 C C      . GLU   B 1 76  ? -19.831 -29.748 -14.978 1.00 11.92 ? 93  GLU   B C      1 
ATOM   2924 O O      . GLU   B 1 76  ? -18.842 -29.028 -15.204 1.00 12.24 ? 93  GLU   B O      1 
ATOM   2925 C CB     . GLU   B 1 76  ? -18.905 -32.005 -15.753 1.00 13.53 ? 93  GLU   B CB     1 
ATOM   2926 C CG     . GLU   B 1 76  ? -19.039 -33.080 -14.668 1.00 13.86 ? 93  GLU   B CG     1 
ATOM   2927 C CD     . GLU   B 1 76  ? -19.079 -32.563 -13.249 1.00 13.04 ? 93  GLU   B CD     1 
ATOM   2928 O OE1    . GLU   B 1 76  ? -18.703 -31.388 -13.038 1.00 13.24 ? 93  GLU   B OE1    1 
ATOM   2929 O OE2    . GLU   B 1 76  ? -19.421 -33.339 -12.328 1.00 14.49 ? 93  GLU   B OE2    1 
ATOM   2930 H H      . GLU   B 1 76  ? -19.599 -30.396 -17.606 1.00 15.40 ? 93  GLU   B H      1 
ATOM   2931 H HA     . GLU   B 1 76  ? -20.824 -31.509 -15.434 1.00 14.88 ? 93  GLU   B HA     1 
ATOM   2932 H HB2    . GLU   B 1 76  ? -18.848 -32.457 -16.610 1.00 16.23 ? 93  GLU   B HB2    1 
ATOM   2933 H HB3    . GLU   B 1 76  ? -18.087 -31.513 -15.582 1.00 16.23 ? 93  GLU   B HB3    1 
ATOM   2934 H HG2    . GLU   B 1 76  ? -19.863 -33.569 -14.821 1.00 16.64 ? 93  GLU   B HG2    1 
ATOM   2935 H HG3    . GLU   B 1 76  ? -18.280 -33.680 -14.736 1.00 16.64 ? 93  GLU   B HG3    1 
ATOM   2936 N N      . VAL   B 1 77  ? -20.778 -29.425 -14.105 1.00 11.17 ? 94  VAL   B N      1 
ATOM   2937 C CA     . VAL   B 1 77  ? -20.881 -28.131 -13.456 1.00 11.26 ? 94  VAL   B CA     1 
ATOM   2938 C C      . VAL   B 1 77  ? -20.471 -28.173 -11.984 1.00 10.75 ? 94  VAL   B C      1 
ATOM   2939 O O      . VAL   B 1 77  ? -20.808 -27.260 -11.243 1.00 11.76 ? 94  VAL   B O      1 
ATOM   2940 C CB     . VAL   B 1 77  ? -22.281 -27.513 -13.630 1.00 11.39 ? 94  VAL   B CB     1 
ATOM   2941 C CG1    . VAL   B 1 77  ? -22.571 -27.203 -15.104 1.00 12.20 ? 94  VAL   B CG1    1 
ATOM   2942 C CG2    . VAL   B 1 77  ? -23.349 -28.389 -13.008 1.00 12.03 ? 94  VAL   B CG2    1 
ATOM   2943 H H      . VAL   B 1 77  ? -21.401 -29.966 -13.863 1.00 13.40 ? 94  VAL   B H      1 
ATOM   2944 H HA     . VAL   B 1 77  ? -20.242 -27.552 -13.900 1.00 13.51 ? 94  VAL   B HA     1 
ATOM   2945 H HB     . VAL   B 1 77  ? -22.303 -26.667 -13.156 1.00 13.67 ? 94  VAL   B HB     1 
ATOM   2946 H HG11   . VAL   B 1 77  ? -23.461 -26.825 -15.178 1.00 14.63 ? 94  VAL   B HG11   1 
ATOM   2947 H HG12   . VAL   B 1 77  ? -21.914 -26.567 -15.428 1.00 14.63 ? 94  VAL   B HG12   1 
ATOM   2948 H HG13   . VAL   B 1 77  ? -22.517 -28.024 -15.616 1.00 14.63 ? 94  VAL   B HG13   1 
ATOM   2949 H HG21   . VAL   B 1 77  ? -24.212 -27.959 -13.116 1.00 14.43 ? 94  VAL   B HG21   1 
ATOM   2950 H HG22   . VAL   B 1 77  ? -23.351 -29.251 -13.453 1.00 14.43 ? 94  VAL   B HG22   1 
ATOM   2951 H HG23   . VAL   B 1 77  ? -23.153 -28.505 -12.065 1.00 14.43 ? 94  VAL   B HG23   1 
ATOM   2952 N N      . THR   B 1 78  ? -19.729 -29.181 -11.546 1.00 11.13 ? 95  THR   B N      1 
ATOM   2953 C CA     . THR   B 1 78  ? -19.350 -29.275 -10.134 1.00 11.37 ? 95  THR   B CA     1 
ATOM   2954 C C      . THR   B 1 78  ? -18.290 -28.243 -9.748  1.00 10.76 ? 95  THR   B C      1 
ATOM   2955 O O      . THR   B 1 78  ? -18.379 -27.619 -8.692  1.00 11.76 ? 95  THR   B O      1 
ATOM   2956 C CB     . THR   B 1 78  ? -18.895 -30.701 -9.823  1.00 11.77 ? 95  THR   B CB     1 
ATOM   2957 O OG1    . THR   B 1 78  ? -19.972 -31.593 -10.146 1.00 12.64 ? 95  THR   B OG1    1 
ATOM   2958 C CG2    . THR   B 1 78  ? -18.552 -30.876 -8.375  1.00 12.68 ? 95  THR   B CG2    1 
ATOM   2959 H H      . THR   B 1 78  ? -19.431 -29.821 -12.037 1.00 13.35 ? 95  THR   B H      1 
ATOM   2960 H HA     . THR   B 1 78  ? -20.126 -29.084 -9.585  1.00 13.64 ? 95  THR   B HA     1 
ATOM   2961 H HB     . THR   B 1 78  ? -18.099 -30.903 -10.340 1.00 14.13 ? 95  THR   B HB     1 
ATOM   2962 H HG1    . THR   B 1 78  ? -19.742 -32.387 -9.995  1.00 15.17 ? 95  THR   B HG1    1 
ATOM   2963 H HG21   . THR   B 1 78  ? -18.398 -31.814 -8.181  1.00 15.21 ? 95  THR   B HG21   1 
ATOM   2964 H HG22   . THR   B 1 78  ? -17.749 -30.375 -8.161  1.00 15.21 ? 95  THR   B HG22   1 
ATOM   2965 H HG23   . THR   B 1 78  ? -19.280 -30.555 -7.820  1.00 15.21 ? 95  THR   B HG23   1 
ATOM   2966 N N      . GLN   B 1 79  ? -17.253 -28.073 -10.578 1.00 10.90 ? 96  GLN   B N      1 
ATOM   2967 C CA     . GLN   B 1 79  ? -16.180 -27.116 -10.322 1.00 10.86 ? 96  GLN   B CA     1 
ATOM   2968 C C      . GLN   B 1 79  ? -16.597 -25.747 -10.841 1.00 10.95 ? 96  GLN   B C      1 
ATOM   2969 O O      . GLN   B 1 79  ? -16.859 -25.614 -12.042 1.00 11.18 ? 96  GLN   B O      1 
ATOM   2970 C CB     . GLN   B 1 79  ? -14.899 -27.562 -11.026 1.00 12.64 ? 96  GLN   B CB     1 
ATOM   2971 C CG     . GLN   B 1 79  ? -13.662 -26.748 -10.674 1.00 13.69 ? 96  GLN   B CG     1 
ATOM   2972 C CD     . GLN   B 1 79  ? -13.239 -26.945 -9.227  1.00 14.11 ? 96  GLN   B CD     1 
ATOM   2973 O OE1    . GLN   B 1 79  ? -13.285 -28.051 -8.699  1.00 17.21 ? 96  GLN   B OE1    1 
ATOM   2974 N NE2    . GLN   B 1 79  ? -12.780 -25.879 -8.597  1.00 17.59 ? 96  GLN   B NE2    1 
ATOM   2975 H H      . GLN   B 1 79  ? -17.150 -28.510 -11.311 1.00 13.08 ? 96  GLN   B H      1 
ATOM   2976 H HA     . GLN   B 1 79  ? -16.009 -27.052 -9.369  1.00 13.03 ? 96  GLN   B HA     1 
ATOM   2977 H HB2    . GLN   B 1 79  ? -14.720 -28.484 -10.785 1.00 15.17 ? 96  GLN   B HB2    1 
ATOM   2978 H HB3    . GLN   B 1 79  ? -15.033 -27.490 -11.984 1.00 15.17 ? 96  GLN   B HB3    1 
ATOM   2979 H HG2    . GLN   B 1 79  ? -12.927 -27.022 -11.245 1.00 16.43 ? 96  GLN   B HG2    1 
ATOM   2980 H HG3    . GLN   B 1 79  ? -13.852 -25.806 -10.808 1.00 16.43 ? 96  GLN   B HG3    1 
ATOM   2981 H HE21   . GLN   B 1 79  ? -12.734 -25.125 -9.006  1.00 21.11 ? 96  GLN   B HE21   1 
ATOM   2982 H HE22   . GLN   B 1 79  ? -12.528 -25.940 -7.777  1.00 21.11 ? 96  GLN   B HE22   1 
ATOM   2983 N N      . PRO   B 1 80  ? -16.674 -24.708 -9.995  1.00 10.36 ? 97  PRO   B N      1 
ATOM   2984 C CA     . PRO   B 1 80  ? -17.112 -23.398 -10.503 1.00 10.60 ? 97  PRO   B CA     1 
ATOM   2985 C C      . PRO   B 1 80  ? -16.175 -22.895 -11.587 1.00 9.91  ? 97  PRO   B C      1 
ATOM   2986 O O      . PRO   B 1 80  ? -14.950 -22.950 -11.455 1.00 11.65 ? 97  PRO   B O      1 
ATOM   2987 C CB     . PRO   B 1 80  ? -17.131 -22.515 -9.248  1.00 11.84 ? 97  PRO   B CB     1 
ATOM   2988 C CG     . PRO   B 1 80  ? -17.363 -23.482 -8.113  1.00 11.94 ? 97  PRO   B CG     1 
ATOM   2989 C CD     . PRO   B 1 80  ? -16.558 -24.714 -8.526  1.00 11.23 ? 97  PRO   B CD     1 
ATOM   2990 H HA     . PRO   B 1 80  ? -18.013 -23.434 -10.860 1.00 12.72 ? 97  PRO   B HA     1 
ATOM   2991 H HB2    . PRO   B 1 80  ? -16.281 -22.058 -9.149  1.00 14.21 ? 97  PRO   B HB2    1 
ATOM   2992 H HB3    . PRO   B 1 80  ? -17.851 -21.868 -9.307  1.00 14.21 ? 97  PRO   B HB3    1 
ATOM   2993 H HG2    . PRO   B 1 80  ? -17.034 -23.109 -7.280  1.00 14.33 ? 97  PRO   B HG2    1 
ATOM   2994 H HG3    . PRO   B 1 80  ? -18.307 -23.689 -8.034  1.00 14.33 ? 97  PRO   B HG3    1 
ATOM   2995 H HD2    . PRO   B 1 80  ? -15.631 -24.631 -8.251  1.00 13.48 ? 97  PRO   B HD2    1 
ATOM   2996 H HD3    . PRO   B 1 80  ? -16.943 -25.522 -8.151  1.00 13.48 ? 97  PRO   B HD3    1 
ATOM   2997 N N      . SER   B 1 81  ? -16.753 -22.341 -12.652 1.00 10.07 ? 98  SER   B N      1 
ATOM   2998 C CA     . SER   B 1 81  ? -15.971 -21.922 -13.814 1.00 10.11 ? 98  SER   B CA     1 
ATOM   2999 C C      . SER   B 1 81  ? -16.725 -20.853 -14.588 1.00 10.07 ? 98  SER   B C      1 
ATOM   3000 O O      . SER   B 1 81  ? -17.886 -21.056 -14.966 1.00 9.82  ? 98  SER   B O      1 
ATOM   3001 C CB     . SER   B 1 81  ? -15.742 -23.129 -14.748 1.00 10.68 ? 98  SER   B CB     1 
ATOM   3002 O OG     . SER   B 1 81  ? -15.400 -22.731 -16.063 1.00 11.17 ? 98  SER   B OG     1 
ATOM   3003 H H      . SER   B 1 81  ? -17.598 -22.198 -12.727 1.00 12.09 ? 98  SER   B H      1 
ATOM   3004 H HA     . SER   B 1 81  ? -15.129 -21.549 -13.511 1.00 12.13 ? 98  SER   B HA     1 
ATOM   3005 H HB2    . SER   B 1 81  ? -15.019 -23.666 -14.388 1.00 12.82 ? 98  SER   B HB2    1 
ATOM   3006 H HB3    . SER   B 1 81  ? -16.558 -23.652 -14.784 1.00 12.82 ? 98  SER   B HB3    1 
ATOM   3007 H HG     . SER   B 1 81  ? -14.688 -22.285 -16.052 1.00 13.41 ? 98  SER   B HG     1 
ATOM   3008 N N      . LEU   B 1 82  ? -16.056 -19.731 -14.850 1.00 9.63  ? 99  LEU   B N      1 
ATOM   3009 C CA     . LEU   B 1 82  ? -16.669 -18.702 -15.692 1.00 10.07 ? 99  LEU   B CA     1 
ATOM   3010 C C      . LEU   B 1 82  ? -16.942 -19.222 -17.090 1.00 9.60  ? 99  LEU   B C      1 
ATOM   3011 O O      . LEU   B 1 82  ? -17.982 -18.919 -17.690 1.00 10.36 ? 99  LEU   B O      1 
ATOM   3012 C CB     . LEU   B 1 82  ? -15.759 -17.493 -15.818 1.00 10.54 ? 99  LEU   B CB     1 
ATOM   3013 C CG     . LEU   B 1 82  ? -15.485 -16.729 -14.554 1.00 10.11 ? 99  LEU   B CG     1 
ATOM   3014 C CD1    . LEU   B 1 82  ? -14.235 -15.849 -14.724 1.00 12.68 ? 99  LEU   B CD1    1 
ATOM   3015 C CD2    . LEU   B 1 82  ? -16.677 -15.881 -14.090 1.00 11.81 ? 99  LEU   B CD2    1 
ATOM   3016 H H      . LEU   B 1 82  ? -15.268 -19.544 -14.561 1.00 11.56 ? 99  LEU   B H      1 
ATOM   3017 H HA     . LEU   B 1 82  ? -17.499 -18.440 -15.264 1.00 12.09 ? 99  LEU   B HA     1 
ATOM   3018 H HB2    . LEU   B 1 82  ? -14.904 -17.795 -16.161 1.00 12.65 ? 99  LEU   B HB2    1 
ATOM   3019 H HB3    . LEU   B 1 82  ? -16.167 -16.874 -16.444 1.00 12.65 ? 99  LEU   B HB3    1 
ATOM   3020 H HG     . LEU   B 1 82  ? -15.326 -17.380 -13.852 1.00 12.13 ? 99  LEU   B HG     1 
ATOM   3021 H HD11   . LEU   B 1 82  ? -14.070 -15.370 -13.897 1.00 15.22 ? 99  LEU   B HD11   1 
ATOM   3022 H HD12   . LEU   B 1 82  ? -13.476 -16.415 -14.936 1.00 15.22 ? 99  LEU   B HD12   1 
ATOM   3023 H HD13   . LEU   B 1 82  ? -14.389 -15.218 -15.446 1.00 15.22 ? 99  LEU   B HD13   1 
ATOM   3024 H HD21   . LEU   B 1 82  ? -16.426 -15.395 -13.289 1.00 14.18 ? 99  LEU   B HD21   1 
ATOM   3025 H HD22   . LEU   B 1 82  ? -16.915 -15.258 -14.794 1.00 14.18 ? 99  LEU   B HD22   1 
ATOM   3026 H HD23   . LEU   B 1 82  ? -17.427 -16.467 -13.899 1.00 14.18 ? 99  LEU   B HD23   1 
ATOM   3027 N N      . GLY   B 1 83  ? -15.997 -19.975 -17.662 1.00 10.27 ? 100 GLY   B N      1 
ATOM   3028 C CA     . GLY   B 1 83  ? -16.128 -20.390 -19.045 1.00 10.42 ? 100 GLY   B CA     1 
ATOM   3029 C C      . GLY   B 1 83  ? -17.273 -21.362 -19.236 1.00 10.14 ? 100 GLY   B C      1 
ATOM   3030 O O      . GLY   B 1 83  ? -18.027 -21.273 -20.216 1.00 10.81 ? 100 GLY   B O      1 
ATOM   3031 H H      . GLY   B 1 83  ? -15.283 -20.251 -17.272 1.00 12.32 ? 100 GLY   B H      1 
ATOM   3032 H HA2    . GLY   B 1 83  ? -16.289 -19.612 -19.602 1.00 12.51 ? 100 GLY   B HA2    1 
ATOM   3033 H HA3    . GLY   B 1 83  ? -15.308 -20.820 -19.332 1.00 12.51 ? 100 GLY   B HA3    1 
ATOM   3034 N N      . VAL   B 1 84  ? -17.427 -22.309 -18.309 1.00 10.38 ? 101 VAL   B N      1 
ATOM   3035 C CA     . VAL   B 1 84  ? -18.557 -23.237 -18.389 1.00 9.93  ? 101 VAL   B CA     1 
ATOM   3036 C C      . VAL   B 1 84  ? -19.869 -22.477 -18.278 1.00 9.71  ? 101 VAL   B C      1 
ATOM   3037 O O      . VAL   B 1 84  ? -20.808 -22.717 -19.042 1.00 10.56 ? 101 VAL   B O      1 
ATOM   3038 C CB     . VAL   B 1 84  ? -18.435 -24.318 -17.303 1.00 10.14 ? 101 VAL   B CB     1 
ATOM   3039 C CG1    . VAL   B 1 84  ? -19.686 -25.186 -17.251 1.00 11.14 ? 101 VAL   B CG1    1 
ATOM   3040 C CG2    . VAL   B 1 84  ? -17.194 -25.195 -17.538 1.00 11.56 ? 101 VAL   B CG2    1 
ATOM   3041 H H      . VAL   B 1 84  ? -16.904 -22.434 -17.638 1.00 12.46 ? 101 VAL   B H      1 
ATOM   3042 H HA     . VAL   B 1 84  ? -18.539 -23.677 -19.253 1.00 11.92 ? 101 VAL   B HA     1 
ATOM   3043 H HB     . VAL   B 1 84  ? -18.338 -23.873 -16.447 1.00 12.17 ? 101 VAL   B HB     1 
ATOM   3044 H HG11   . VAL   B 1 84  ? -19.496 -25.983 -16.730 1.00 13.37 ? 101 VAL   B HG11   1 
ATOM   3045 H HG12   . VAL   B 1 84  ? -20.403 -24.683 -16.835 1.00 13.37 ? 101 VAL   B HG12   1 
ATOM   3046 H HG13   . VAL   B 1 84  ? -19.936 -25.434 -18.155 1.00 13.37 ? 101 VAL   B HG13   1 
ATOM   3047 H HG21   . VAL   B 1 84  ? -17.142 -25.863 -16.837 1.00 13.88 ? 101 VAL   B HG21   1 
ATOM   3048 H HG22   . VAL   B 1 84  ? -17.272 -25.628 -18.402 1.00 13.88 ? 101 VAL   B HG22   1 
ATOM   3049 H HG23   . VAL   B 1 84  ? -16.403 -24.634 -17.519 1.00 13.88 ? 101 VAL   B HG23   1 
ATOM   3050 N N      . GLY   B 1 85  ? -19.956 -21.543 -17.324 1.00 9.69  ? 102 GLY   B N      1 
ATOM   3051 C CA     . GLY   B 1 85  ? -21.178 -20.764 -17.208 1.00 10.00 ? 102 GLY   B CA     1 
ATOM   3052 C C      . GLY   B 1 85  ? -21.478 -19.966 -18.465 1.00 9.74  ? 102 GLY   B C      1 
ATOM   3053 O O      . GLY   B 1 85  ? -22.632 -19.910 -18.919 1.00 10.44 ? 102 GLY   B O      1 
ATOM   3054 H H      . GLY   B 1 85  ? -19.341 -21.351 -16.754 1.00 11.63 ? 102 GLY   B H      1 
ATOM   3055 H HA2    . GLY   B 1 85  ? -21.924 -21.361 -17.040 1.00 11.99 ? 102 GLY   B HA2    1 
ATOM   3056 H HA3    . GLY   B 1 85  ? -21.095 -20.145 -16.466 1.00 11.99 ? 102 GLY   B HA3    1 
ATOM   3057 N N      . TYR   B 1 86  ? -20.450 -19.347 -19.048 1.00 10.44 ? 103 TYR   B N      1 
ATOM   3058 C CA     . TYR   B 1 86  ? -20.603 -18.557 -20.265 1.00 10.72 ? 103 TYR   B CA     1 
ATOM   3059 C C      . TYR   B 1 86  ? -21.076 -19.428 -21.424 1.00 11.53 ? 103 TYR   B C      1 
ATOM   3060 O O      . TYR   B 1 86  ? -21.983 -19.045 -22.175 1.00 11.78 ? 103 TYR   B O      1 
ATOM   3061 C CB     . TYR   B 1 86  ? -19.258 -17.895 -20.587 1.00 11.38 ? 103 TYR   B CB     1 
ATOM   3062 C CG     . TYR   B 1 86  ? -19.275 -17.083 -21.840 1.00 11.91 ? 103 TYR   B CG     1 
ATOM   3063 C CD1    . TYR   B 1 86  ? -19.718 -15.770 -21.828 1.00 13.48 ? 103 TYR   B CD1    1 
ATOM   3064 C CD2    . TYR   B 1 86  ? -18.873 -17.629 -23.049 1.00 13.16 ? 103 TYR   B CD2    1 
ATOM   3065 C CE1    . TYR   B 1 86  ? -19.731 -15.008 -22.980 1.00 14.98 ? 103 TYR   B CE1    1 
ATOM   3066 C CE2    . TYR   B 1 86  ? -18.886 -16.881 -24.209 1.00 14.33 ? 103 TYR   B CE2    1 
ATOM   3067 C CZ     . TYR   B 1 86  ? -19.313 -15.564 -24.177 1.00 14.45 ? 103 TYR   B CZ     1 
ATOM   3068 O OH     . TYR   B 1 86  ? -19.339 -14.811 -25.331 1.00 17.42 ? 103 TYR   B OH     1 
ATOM   3069 H H      . TYR   B 1 86  ? -19.642 -19.369 -18.753 1.00 12.52 ? 103 TYR   B H      1 
ATOM   3070 H HA     . TYR   B 1 86  ? -21.270 -17.865 -20.132 1.00 12.87 ? 103 TYR   B HA     1 
ATOM   3071 H HB2    . TYR   B 1 86  ? -19.017 -17.306 -19.855 1.00 13.66 ? 103 TYR   B HB2    1 
ATOM   3072 H HB3    . TYR   B 1 86  ? -18.586 -18.587 -20.690 1.00 13.66 ? 103 TYR   B HB3    1 
ATOM   3073 H HD1    . TYR   B 1 86  ? -20.011 -15.394 -21.029 1.00 16.17 ? 103 TYR   B HD1    1 
ATOM   3074 H HD2    . TYR   B 1 86  ? -18.589 -18.514 -23.079 1.00 15.80 ? 103 TYR   B HD2    1 
ATOM   3075 H HE1    . TYR   B 1 86  ? -20.019 -14.125 -22.951 1.00 17.97 ? 103 TYR   B HE1    1 
ATOM   3076 H HE2    . TYR   B 1 86  ? -18.610 -17.262 -25.011 1.00 17.20 ? 103 TYR   B HE2    1 
ATOM   3077 H HH     . TYR   B 1 86  ? -19.305 -15.315 -26.002 1.00 20.90 ? 103 TYR   B HH     1 
ATOM   3078 N N      . GLU   B 1 87  ? -20.448 -20.597 -21.603 1.00 11.17 ? 104 GLU   B N      1 
ATOM   3079 C CA     . GLU   B 1 87  ? -20.880 -21.534 -22.632 1.00 11.92 ? 104 GLU   B CA     1 
ATOM   3080 C C      . GLU   B 1 87  ? -22.346 -21.901 -22.465 1.00 11.70 ? 104 GLU   B C      1 
ATOM   3081 O O      . GLU   B 1 87  ? -23.106 -21.943 -23.448 1.00 12.59 ? 104 GLU   B O      1 
ATOM   3082 C CB     . GLU   B 1 87  ? -20.010 -22.801 -22.589 1.00 12.12 ? 104 GLU   B CB     1 
ATOM   3083 C CG     . GLU   B 1 87  ? -18.602 -22.586 -23.121 1.00 14.11 ? 104 GLU   B CG     1 
ATOM   3084 C CD     . GLU   B 1 87  ? -17.656 -23.767 -22.869 1.00 14.98 ? 104 GLU   B CD     1 
ATOM   3085 O OE1    . GLU   B 1 87  ? -17.734 -24.358 -21.779 1.00 15.03 ? 104 GLU   B OE1    1 
ATOM   3086 O OE2    . GLU   B 1 87  ? -16.814 -24.062 -23.743 1.00 17.60 ? 104 GLU   B OE2    1 
ATOM   3087 H H      . GLU   B 1 87  ? -19.774 -20.865 -21.142 1.00 13.41 ? 104 GLU   B H      1 
ATOM   3088 H HA     . GLU   B 1 87  ? -20.769 -21.114 -23.500 1.00 14.31 ? 104 GLU   B HA     1 
ATOM   3089 H HB2    . GLU   B 1 87  ? -19.937 -23.099 -21.669 1.00 14.54 ? 104 GLU   B HB2    1 
ATOM   3090 H HB3    . GLU   B 1 87  ? -20.430 -23.488 -23.128 1.00 14.54 ? 104 GLU   B HB3    1 
ATOM   3091 H HG2    . GLU   B 1 87  ? -18.650 -22.446 -24.080 1.00 16.93 ? 104 GLU   B HG2    1 
ATOM   3092 H HG3    . GLU   B 1 87  ? -18.221 -21.806 -22.690 1.00 16.93 ? 104 GLU   B HG3    1 
ATOM   3093 N N      . LEU   B 1 88  ? -22.775 -22.158 -21.226 1.00 11.24 ? 105 LEU   B N      1 
ATOM   3094 C CA     . LEU   B 1 88  ? -24.178 -22.482 -20.991 1.00 12.06 ? 105 LEU   B CA     1 
ATOM   3095 C C      . LEU   B 1 88  ? -25.093 -21.303 -21.310 1.00 11.85 ? 105 LEU   B C      1 
ATOM   3096 O O      . LEU   B 1 88  ? -26.162 -21.493 -21.901 1.00 13.16 ? 105 LEU   B O      1 
ATOM   3097 C CB     . LEU   B 1 88  ? -24.349 -22.955 -19.554 1.00 11.25 ? 105 LEU   B CB     1 
ATOM   3098 C CG     . LEU   B 1 88  ? -23.775 -24.334 -19.258 1.00 11.46 ? 105 LEU   B CG     1 
ATOM   3099 C CD1    . LEU   B 1 88  ? -23.719 -24.603 -17.760 1.00 12.71 ? 105 LEU   B CD1    1 
ATOM   3100 C CD2    . LEU   B 1 88  ? -24.589 -25.394 -19.962 1.00 12.91 ? 105 LEU   B CD2    1 
ATOM   3101 H H      . LEU   B 1 88  ? -22.282 -22.152 -20.521 1.00 13.48 ? 105 LEU   B H      1 
ATOM   3102 H HA     . LEU   B 1 88  ? -24.445 -23.205 -21.579 1.00 14.47 ? 105 LEU   B HA     1 
ATOM   3103 H HB2    . LEU   B 1 88  ? -23.904 -22.322 -18.969 1.00 13.50 ? 105 LEU   B HB2    1 
ATOM   3104 H HB3    . LEU   B 1 88  ? -25.297 -22.984 -19.352 1.00 13.50 ? 105 LEU   B HB3    1 
ATOM   3105 H HG     . LEU   B 1 88  ? -22.864 -24.372 -19.589 1.00 13.76 ? 105 LEU   B HG     1 
ATOM   3106 H HD11   . LEU   B 1 88  ? -23.328 -25.478 -17.611 1.00 15.25 ? 105 LEU   B HD11   1 
ATOM   3107 H HD12   . LEU   B 1 88  ? -23.174 -23.921 -17.337 1.00 15.25 ? 105 LEU   B HD12   1 
ATOM   3108 H HD13   . LEU   B 1 88  ? -24.620 -24.577 -17.400 1.00 15.25 ? 105 LEU   B HD13   1 
ATOM   3109 H HD21   . LEU   B 1 88  ? -24.318 -26.268 -19.638 1.00 15.50 ? 105 LEU   B HD21   1 
ATOM   3110 H HD22   . LEU   B 1 88  ? -25.529 -25.249 -19.772 1.00 15.50 ? 105 LEU   B HD22   1 
ATOM   3111 H HD23   . LEU   B 1 88  ? -24.431 -25.331 -20.917 1.00 15.50 ? 105 LEU   B HD23   1 
ATOM   3112 N N      . GLY   B 1 89  ? -24.701 -20.077 -20.948 1.00 11.19 ? 106 GLY   B N      1 
ATOM   3113 C CA     . GLY   B 1 89  ? -25.526 -18.930 -21.298 1.00 12.26 ? 106 GLY   B CA     1 
ATOM   3114 C C      . GLY   B 1 89  ? -25.652 -18.742 -22.801 1.00 12.58 ? 106 GLY   B C      1 
ATOM   3115 O O      . GLY   B 1 89  ? -26.739 -18.473 -23.313 1.00 13.79 ? 106 GLY   B O      1 
ATOM   3116 H H      . GLY   B 1 89  ? -23.983 -19.892 -20.513 1.00 13.43 ? 106 GLY   B H      1 
ATOM   3117 H HA2    . GLY   B 1 89  ? -26.415 -19.051 -20.930 1.00 14.71 ? 106 GLY   B HA2    1 
ATOM   3118 H HA3    . GLY   B 1 89  ? -25.134 -18.127 -20.922 1.00 14.71 ? 106 GLY   B HA3    1 
ATOM   3119 N N      . ARG   B 1 90  ? -24.535 -18.832 -23.526 1.00 12.92 ? 107 ARG   B N      1 
ATOM   3120 C CA     . ARG   B 1 90  ? -24.608 -18.754 -24.980 1.00 14.51 ? 107 ARG   B CA     1 
ATOM   3121 C C      . ARG   B 1 90  ? -25.443 -19.895 -25.551 1.00 13.92 ? 107 ARG   B C      1 
ATOM   3122 O O      . ARG   B 1 90  ? -26.188 -19.696 -26.516 1.00 15.84 ? 107 ARG   B O      1 
ATOM   3123 C CB     . ARG   B 1 90  ? -23.206 -18.761 -25.607 1.00 14.02 ? 107 ARG   B CB     1 
ATOM   3124 C CG     . ARG   B 1 90  ? -22.338 -17.576 -25.199 1.00 14.30 ? 107 ARG   B CG     1 
ATOM   3125 C CD     . ARG   B 1 90  ? -22.917 -16.210 -25.550 1.00 15.95 ? 107 ARG   B CD     1 
ATOM   3126 N NE     . ARG   B 1 90  ? -23.249 -16.009 -26.954 1.00 17.18 ? 107 ARG   B NE     1 
ATOM   3127 C CZ     . ARG   B 1 90  ? -22.468 -15.401 -27.836 1.00 18.04 ? 107 ARG   B CZ     1 
ATOM   3128 N NH1    . ARG   B 1 90  ? -21.256 -14.973 -27.514 1.00 19.29 ? 107 ARG   B NH1    1 
ATOM   3129 N NH2    . ARG   B 1 90  ? -22.927 -15.189 -29.062 1.00 22.04 ? 107 ARG   B NH2    1 
ATOM   3130 H H      . ARG   B 1 90  ? -23.743 -18.936 -23.206 1.00 15.51 ? 107 ARG   B H      1 
ATOM   3131 H HA     . ARG   B 1 90  ? -25.028 -17.912 -25.213 1.00 17.41 ? 107 ARG   B HA     1 
ATOM   3132 H HB2    . ARG   B 1 90  ? -22.747 -19.570 -25.334 1.00 16.83 ? 107 ARG   B HB2    1 
ATOM   3133 H HB3    . ARG   B 1 90  ? -23.297 -18.741 -26.573 1.00 16.83 ? 107 ARG   B HB3    1 
ATOM   3134 H HG2    . ARG   B 1 90  ? -22.213 -17.601 -24.238 1.00 17.16 ? 107 ARG   B HG2    1 
ATOM   3135 H HG3    . ARG   B 1 90  ? -21.481 -17.652 -25.647 1.00 17.16 ? 107 ARG   B HG3    1 
ATOM   3136 H HD2    . ARG   B 1 90  ? -23.733 -16.084 -25.041 1.00 19.13 ? 107 ARG   B HD2    1 
ATOM   3137 H HD3    . ARG   B 1 90  ? -22.268 -15.531 -25.308 1.00 19.13 ? 107 ARG   B HD3    1 
ATOM   3138 H HE     . ARG   B 1 90  ? -24.006 -16.308 -27.232 1.00 20.62 ? 107 ARG   B HE     1 
ATOM   3139 H HH11   . ARG   B 1 90  ? -20.957 -15.088 -26.716 1.00 23.15 ? 107 ARG   B HH11   1 
ATOM   3140 H HH12   . ARG   B 1 90  ? -20.768 -14.581 -28.104 1.00 23.15 ? 107 ARG   B HH12   1 
ATOM   3141 H HH21   . ARG   B 1 90  ? -23.720 -15.446 -29.275 1.00 26.45 ? 107 ARG   B HH21   1 
ATOM   3142 H HH22   . ARG   B 1 90  ? -22.432 -14.796 -29.645 1.00 26.45 ? 107 ARG   B HH22   1 
ATOM   3143 N N      . ALA   B 1 91  ? -25.315 -21.100 -24.990 1.00 13.26 ? 108 ALA   B N      1 
ATOM   3144 C CA     . ALA   B 1 91  ? -26.059 -22.245 -25.495 1.00 14.02 ? 108 ALA   B CA     1 
ATOM   3145 C C      . ALA   B 1 91  ? -27.554 -22.041 -25.358 1.00 15.44 ? 108 ALA   B C      1 
ATOM   3146 O O      . ALA   B 1 91  ? -28.326 -22.397 -26.258 1.00 16.39 ? 108 ALA   B O      1 
ATOM   3147 C CB     . ALA   B 1 91  ? -25.628 -23.510 -24.756 1.00 14.67 ? 108 ALA   B CB     1 
ATOM   3148 H H      . ALA   B 1 91  ? -24.806 -21.277 -24.319 1.00 15.91 ? 108 ALA   B H      1 
ATOM   3149 H HA     . ALA   B 1 91  ? -25.858 -22.355 -26.437 1.00 16.82 ? 108 ALA   B HA     1 
ATOM   3150 H HB1    . ALA   B 1 91  ? -26.122 -24.266 -25.110 1.00 17.61 ? 108 ALA   B HB1    1 
ATOM   3151 H HB2    . ALA   B 1 91  ? -24.676 -23.645 -24.889 1.00 17.61 ? 108 ALA   B HB2    1 
ATOM   3152 H HB3    . ALA   B 1 91  ? -25.818 -23.405 -23.811 1.00 17.61 ? 108 ALA   B HB3    1 
ATOM   3153 N N      . VAL   B 1 92  ? -27.995 -21.510 -24.224 1.00 15.04 ? 109 VAL   B N      1 
ATOM   3154 C CA     . VAL   B 1 92  ? -29.409 -21.206 -24.059 1.00 15.99 ? 109 VAL   B CA     1 
ATOM   3155 C C      . VAL   B 1 92  ? -29.868 -20.278 -25.172 1.00 16.86 ? 109 VAL   B C      1 
ATOM   3156 O O      . VAL   B 1 92  ? -30.891 -20.511 -25.820 1.00 19.09 ? 109 VAL   B O      1 
ATOM   3157 C CB     . VAL   B 1 92  ? -29.677 -20.597 -22.672 1.00 17.16 ? 109 VAL   B CB     1 
ATOM   3158 C CG1    . VAL   B 1 92  ? -31.086 -20.005 -22.627 1.00 20.02 ? 109 VAL   B CG1    1 
ATOM   3159 C CG2    . VAL   B 1 92  ? -29.508 -21.623 -21.578 1.00 16.38 ? 109 VAL   B CG2    1 
ATOM   3160 H H      . VAL   B 1 92  ? -27.504 -21.319 -23.545 1.00 18.05 ? 109 VAL   B H      1 
ATOM   3161 H HA     . VAL   B 1 92  ? -29.913 -22.032 -24.119 1.00 19.19 ? 109 VAL   B HA     1 
ATOM   3162 H HB     . VAL   B 1 92  ? -29.030 -19.892 -22.516 1.00 20.59 ? 109 VAL   B HB     1 
ATOM   3163 H HG11   . VAL   B 1 92  ? -31.351 -19.892 -21.701 1.00 24.02 ? 109 VAL   B HG11   1 
ATOM   3164 H HG12   . VAL   B 1 92  ? -31.082 -19.146 -23.077 1.00 24.02 ? 109 VAL   B HG12   1 
ATOM   3165 H HG13   . VAL   B 1 92  ? -31.697 -20.611 -23.075 1.00 24.02 ? 109 VAL   B HG13   1 
ATOM   3166 H HG21   . VAL   B 1 92  ? -29.659 -21.197 -20.719 1.00 19.66 ? 109 VAL   B HG21   1 
ATOM   3167 H HG22   . VAL   B 1 92  ? -30.152 -22.337 -21.711 1.00 19.66 ? 109 VAL   B HG22   1 
ATOM   3168 H HG23   . VAL   B 1 92  ? -28.607 -21.980 -21.616 1.00 19.66 ? 109 VAL   B HG23   1 
ATOM   3169 N N      . ALA   B 1 93  ? -29.123 -19.196 -25.406 1.00 17.13 ? 110 ALA   B N      1 
ATOM   3170 C CA     . ALA   B 1 93  ? -29.537 -18.205 -26.395 1.00 18.94 ? 110 ALA   B CA     1 
ATOM   3171 C C      . ALA   B 1 93  ? -29.433 -18.728 -27.820 1.00 19.17 ? 110 ALA   B C      1 
ATOM   3172 O O      . ALA   B 1 93  ? -30.141 -18.227 -28.696 1.00 22.51 ? 110 ALA   B O      1 
ATOM   3173 C CB     . ALA   B 1 93  ? -28.741 -16.913 -26.196 1.00 19.01 ? 110 ALA   B CB     1 
ATOM   3174 H H      . ALA   B 1 93  ? -28.382 -19.015 -25.010 1.00 20.56 ? 110 ALA   B H      1 
ATOM   3175 H HA     . ALA   B 1 93  ? -30.471 -17.980 -26.260 1.00 22.73 ? 110 ALA   B HA     1 
ATOM   3176 H HB1    . ALA   B 1 93  ? -28.989 -16.279 -26.888 1.00 22.81 ? 110 ALA   B HB1    1 
ATOM   3177 H HB2    . ALA   B 1 93  ? -28.948 -16.546 -25.322 1.00 22.81 ? 110 ALA   B HB2    1 
ATOM   3178 H HB3    . ALA   B 1 93  ? -27.794 -17.113 -26.255 1.00 22.81 ? 110 ALA   B HB3    1 
ATOM   3179 N N      . PHE   B 1 94  ? -28.594 -19.727 -28.060 1.00 20.16 ? 111 PHE   B N      1 
ATOM   3180 C CA     . PHE   B 1 94  ? -28.525 -20.425 -29.333 1.00 20.39 ? 111 PHE   B CA     1 
ATOM   3181 C C      . PHE   B 1 94  ? -29.590 -21.514 -29.467 1.00 20.33 ? 111 PHE   B C      1 
ATOM   3182 O O      . PHE   B 1 94  ? -29.567 -22.265 -30.453 1.00 21.65 ? 111 PHE   B O      1 
ATOM   3183 C CB     . PHE   B 1 94  ? -27.151 -21.067 -29.493 1.00 20.68 ? 111 PHE   B CB     1 
ATOM   3184 C CG     . PHE   B 1 94  ? -26.045 -20.113 -29.836 1.00 21.90 ? 111 PHE   B CG     1 
ATOM   3185 C CD1    . PHE   B 1 94  ? -26.251 -19.025 -30.659 1.00 26.63 ? 111 PHE   B CD1    1 
ATOM   3186 C CD2    . PHE   B 1 94  ? -24.773 -20.342 -29.350 1.00 21.26 ? 111 PHE   B CD2    1 
ATOM   3187 C CE1    . PHE   B 1 94  ? -25.208 -18.179 -30.980 1.00 25.63 ? 111 PHE   B CE1    1 
ATOM   3188 C CE2    . PHE   B 1 94  ? -23.734 -19.500 -29.670 1.00 25.52 ? 111 PHE   B CE2    1 
ATOM   3189 C CZ     . PHE   B 1 94  ? -23.951 -18.418 -30.476 1.00 26.54 ? 111 PHE   B CZ     1 
ATOM   3190 H H      . PHE   B 1 94  ? -28.035 -20.029 -27.480 1.00 24.19 ? 111 PHE   B H      1 
ATOM   3191 H HA     . PHE   B 1 94  ? -28.656 -19.777 -30.043 1.00 24.47 ? 111 PHE   B HA     1 
ATOM   3192 H HB2    . PHE   B 1 94  ? -26.914 -21.499 -28.657 1.00 24.81 ? 111 PHE   B HB2    1 
ATOM   3193 H HB3    . PHE   B 1 94  ? -27.200 -21.725 -30.204 1.00 24.81 ? 111 PHE   B HB3    1 
ATOM   3194 H HD1    . PHE   B 1 94  ? -27.100 -18.861 -31.001 1.00 31.96 ? 111 PHE   B HD1    1 
ATOM   3195 H HD2    . PHE   B 1 94  ? -24.616 -21.075 -28.800 1.00 25.51 ? 111 PHE   B HD2    1 
ATOM   3196 H HE1    . PHE   B 1 94  ? -25.355 -17.449 -31.537 1.00 30.76 ? 111 PHE   B HE1    1 
ATOM   3197 H HE2    . PHE   B 1 94  ? -22.882 -19.667 -29.337 1.00 30.62 ? 111 PHE   B HE2    1 
ATOM   3198 H HZ     . PHE   B 1 94  ? -23.249 -17.844 -30.684 1.00 31.85 ? 111 PHE   B HZ     1 
ATOM   3199 N N      . ASN   B 1 95  ? -30.496 -21.633 -28.494 1.00 20.00 ? 112 ASN   B N      1 
ATOM   3200 C CA     . ASN   B 1 95  ? -31.619 -22.580 -28.556 1.00 20.64 ? 112 ASN   B CA     1 
ATOM   3201 C C      . ASN   B 1 95  ? -31.160 -24.038 -28.582 1.00 19.71 ? 112 ASN   B C      1 
ATOM   3202 O O      . ASN   B 1 95  ? -31.714 -24.875 -29.295 1.00 21.35 ? 112 ASN   B O      1 
ATOM   3203 C CB     . ASN   B 1 95  ? -32.598 -22.264 -29.685 1.00 24.15 ? 112 ASN   B CB     1 
ATOM   3204 C CG     . ASN   B 1 95  ? -33.434 -21.038 -29.391 1.00 28.73 ? 112 ASN   B CG     1 
ATOM   3205 O OD1    . ASN   B 1 95  ? -33.298 -20.016 -30.052 1.00 34.95 ? 112 ASN   B OD1    1 
ATOM   3206 N ND2    . ASN   B 1 95  ? -34.257 -21.115 -28.346 1.00 31.62 ? 112 ASN   B ND2    1 
ATOM   3207 H H      . ASN   B 1 95  ? -30.485 -21.167 -27.771 1.00 24.00 ? 112 ASN   B H      1 
ATOM   3208 H HA     . ASN   B 1 95  ? -32.116 -22.473 -27.730 1.00 24.76 ? 112 ASN   B HA     1 
ATOM   3209 H HB2    . ASN   B 1 95  ? -32.100 -22.103 -30.501 1.00 28.98 ? 112 ASN   B HB2    1 
ATOM   3210 H HB3    . ASN   B 1 95  ? -33.198 -23.017 -29.805 1.00 28.98 ? 112 ASN   B HB3    1 
ATOM   3211 H HD21   . ASN   B 1 95  ? -34.292 -21.836 -27.878 1.00 37.95 ? 112 ASN   B HD21   1 
ATOM   3212 H HD22   . ASN   B 1 95  ? -34.753 -20.444 -28.138 1.00 37.95 ? 112 ASN   B HD22   1 
ATOM   3213 N N      . LYS   B 1 96  ? -30.175 -24.357 -27.745 1.00 19.05 ? 113 LYS   B N      1 
ATOM   3214 C CA     . LYS   B 1 96  ? -29.627 -25.703 -27.681 1.00 18.22 ? 113 LYS   B CA     1 
ATOM   3215 C C      . LYS   B 1 96  ? -30.235 -26.495 -26.531 1.00 17.90 ? 113 LYS   B C      1 
ATOM   3216 O O      . LYS   B 1 96  ? -30.594 -25.951 -25.484 1.00 21.20 ? 113 LYS   B O      1 
ATOM   3217 C CB     . LYS   B 1 96  ? -28.107 -25.667 -27.527 1.00 19.52 ? 113 LYS   B CB     1 
ATOM   3218 C CG     . LYS   B 1 96  ? -27.399 -24.987 -28.702 1.00 19.70 ? 113 LYS   B CG     1 
ATOM   3219 C CD     . LYS   B 1 96  ? -27.698 -25.658 -30.053 1.00 21.83 ? 113 LYS   B CD     1 
ATOM   3220 C CE     . LYS   B 1 96  ? -27.115 -24.883 -31.235 1.00 24.75 ? 113 LYS   B CE     1 
ATOM   3221 N NZ     . LYS   B 1 96  ? -27.489 -25.477 -32.539 1.00 25.31 ? 113 LYS   B NZ     1 
ATOM   3222 H H      . LYS   B 1 96  ? -29.806 -23.803 -27.201 1.00 22.86 ? 113 LYS   B H      1 
ATOM   3223 H HA     . LYS   B 1 96  ? -29.845 -26.164 -28.506 1.00 21.87 ? 113 LYS   B HA     1 
ATOM   3224 H HB2    . LYS   B 1 96  ? -27.885 -25.177 -26.720 1.00 23.43 ? 113 LYS   B HB2    1 
ATOM   3225 H HB3    . LYS   B 1 96  ? -27.776 -26.577 -27.464 1.00 23.43 ? 113 LYS   B HB3    1 
ATOM   3226 H HG2    . LYS   B 1 96  ? -27.692 -24.064 -28.756 1.00 23.65 ? 113 LYS   B HG2    1 
ATOM   3227 H HG3    . LYS   B 1 96  ? -26.440 -25.022 -28.557 1.00 23.65 ? 113 LYS   B HG3    1 
ATOM   3228 H HD2    . LYS   B 1 96  ? -27.311 -26.548 -30.057 1.00 26.20 ? 113 LYS   B HD2    1 
ATOM   3229 H HD3    . LYS   B 1 96  ? -28.658 -25.713 -30.174 1.00 26.20 ? 113 LYS   B HD3    1 
ATOM   3230 H HE2    . LYS   B 1 96  ? -27.448 -23.972 -31.212 1.00 29.70 ? 113 LYS   B HE2    1 
ATOM   3231 H HE3    . LYS   B 1 96  ? -26.147 -24.885 -31.169 1.00 29.70 ? 113 LYS   B HE3    1 
ATOM   3232 H HZ1    . LYS   B 1 96  ? -27.132 -25.003 -33.203 1.00 30.38 ? 113 LYS   B HZ1    1 
ATOM   3233 H HZ2    . LYS   B 1 96  ? -27.191 -26.314 -32.589 1.00 30.38 ? 113 LYS   B HZ2    1 
ATOM   3234 H HZ3    . LYS   B 1 96  ? -28.374 -25.479 -32.630 1.00 30.38 ? 113 LYS   B HZ3    1 
ATOM   3235 N N      . ARG   B 1 97  ? -30.310 -27.804 -26.727 1.00 18.91 ? 114 ARG   B N      1 
ATOM   3236 C CA     . ARG   B 1 97  ? -30.610 -28.741 -25.656 1.00 18.44 ? 114 ARG   B CA     1 
ATOM   3237 C C      . ARG   B 1 97  ? -29.395 -28.921 -24.755 1.00 18.38 ? 114 ARG   B C      1 
ATOM   3238 O O      . ARG   B 1 97  ? -28.267 -29.057 -25.232 1.00 18.51 ? 114 ARG   B O      1 
ATOM   3239 C CB     . ARG   B 1 97  ? -30.993 -30.083 -26.293 1.00 21.52 ? 114 ARG   B CB     1 
ATOM   3240 C CG     . ARG   B 1 97  ? -31.468 -31.118 -25.336 1.00 24.76 ? 114 ARG   B CG     1 
ATOM   3241 C CD     . ARG   B 1 97  ? -32.428 -32.103 -26.027 1.00 32.84 ? 114 ARG   B CD     1 
ATOM   3242 N NE     . ARG   B 1 97  ? -31.973 -32.607 -27.321 1.00 33.40 ? 114 ARG   B NE     1 
ATOM   3243 C CZ     . ARG   B 1 97  ? -31.420 -33.801 -27.506 1.00 52.33 ? 114 ARG   B CZ     1 
ATOM   3244 N NH1    . ARG   B 1 97  ? -31.207 -34.629 -26.494 1.00 44.26 ? 114 ARG   B NH1    1 
ATOM   3245 N NH2    . ARG   B 1 97  ? -31.081 -34.179 -28.737 1.00 43.17 ? 114 ARG   B NH2    1 
ATOM   3246 H H      . ARG   B 1 97  ? -30.188 -28.184 -27.489 1.00 22.69 ? 114 ARG   B H      1 
ATOM   3247 H HA     . ARG   B 1 97  ? -31.340 -28.418 -25.105 1.00 22.12 ? 114 ARG   B HA     1 
ATOM   3248 H HB2    . ARG   B 1 97  ? -31.705 -29.927 -26.932 1.00 25.82 ? 114 ARG   B HB2    1 
ATOM   3249 H HB3    . ARG   B 1 97  ? -30.213 -30.441 -26.746 1.00 25.82 ? 114 ARG   B HB3    1 
ATOM   3250 H HG2    . ARG   B 1 97  ? -30.709 -31.616 -24.994 1.00 29.72 ? 114 ARG   B HG2    1 
ATOM   3251 H HG3    . ARG   B 1 97  ? -31.941 -30.690 -24.605 1.00 29.72 ? 114 ARG   B HG3    1 
ATOM   3252 H HD2    . ARG   B 1 97  ? -32.553 -32.870 -25.446 1.00 39.41 ? 114 ARG   B HD2    1 
ATOM   3253 H HD3    . ARG   B 1 97  ? -33.276 -31.656 -26.173 1.00 39.41 ? 114 ARG   B HD3    1 
ATOM   3254 H HE     . ARG   B 1 97  ? -32.069 -32.097 -28.007 1.00 40.08 ? 114 ARG   B HE     1 
ATOM   3255 H HH11   . ARG   B 1 97  ? -31.428 -34.398 -25.696 1.00 53.12 ? 114 ARG   B HH11   1 
ATOM   3256 H HH12   . ARG   B 1 97  ? -30.849 -35.398 -26.636 1.00 53.12 ? 114 ARG   B HH12   1 
ATOM   3257 H HH21   . ARG   B 1 97  ? -31.221 -33.651 -29.402 1.00 51.80 ? 114 ARG   B HH21   1 
ATOM   3258 H HH22   . ARG   B 1 97  ? -30.723 -34.950 -28.867 1.00 51.80 ? 114 ARG   B HH22   1 
ATOM   3259 N N      . ILE   B 1 98  ? -29.619 -28.893 -23.437 1.00 15.99 ? 115 ILE   B N      1 
ATOM   3260 C CA     . ILE   B 1 98  ? -28.552 -28.798 -22.449 1.00 15.19 ? 115 ILE   B CA     1 
ATOM   3261 C C      . ILE   B 1 98  ? -28.764 -29.836 -21.356 1.00 13.77 ? 115 ILE   B C      1 
ATOM   3262 O O      . ILE   B 1 98  ? -29.875 -29.973 -20.826 1.00 15.11 ? 115 ILE   B O      1 
ATOM   3263 C CB     . ILE   B 1 98  ? -28.523 -27.379 -21.844 1.00 14.78 ? 115 ILE   B CB     1 
ATOM   3264 C CG1    . ILE   B 1 98  ? -28.032 -26.357 -22.883 1.00 16.09 ? 115 ILE   B CG1    1 
ATOM   3265 C CG2    . ILE   B 1 98  ? -27.687 -27.310 -20.585 1.00 14.74 ? 115 ILE   B CG2    1 
ATOM   3266 C CD1    . ILE   B 1 98  ? -28.440 -24.924 -22.580 1.00 16.61 ? 115 ILE   B CD1    1 
ATOM   3267 H H      . ILE   B 1 98  ? -30.404 -28.928 -23.088 1.00 19.18 ? 115 ILE   B H      1 
ATOM   3268 H HA     . ILE   B 1 98  ? -27.702 -29.003 -22.869 1.00 18.23 ? 115 ILE   B HA     1 
ATOM   3269 H HB     . ILE   B 1 98  ? -29.434 -27.158 -21.594 1.00 17.74 ? 115 ILE   B HB     1 
ATOM   3270 H HG12   . ILE   B 1 98  ? -27.063 -26.387 -22.915 1.00 19.31 ? 115 ILE   B HG12   1 
ATOM   3271 H HG13   . ILE   B 1 98  ? -28.401 -26.592 -23.749 1.00 19.31 ? 115 ILE   B HG13   1 
ATOM   3272 H HG21   . ILE   B 1 98  ? -27.490 -26.381 -20.387 1.00 17.68 ? 115 ILE   B HG21   1 
ATOM   3273 H HG22   . ILE   B 1 98  ? -28.185 -27.706 -19.853 1.00 17.68 ? 115 ILE   B HG22   1 
ATOM   3274 H HG23   . ILE   B 1 98  ? -26.862 -27.800 -20.727 1.00 17.68 ? 115 ILE   B HG23   1 
ATOM   3275 H HD11   . ILE   B 1 98  ? -28.143 -24.351 -23.304 1.00 19.94 ? 115 ILE   B HD11   1 
ATOM   3276 H HD12   . ILE   B 1 98  ? -29.406 -24.881 -22.499 1.00 19.94 ? 115 ILE   B HD12   1 
ATOM   3277 H HD13   . ILE   B 1 98  ? -28.026 -24.647 -21.748 1.00 19.94 ? 115 ILE   B HD13   1 
ATOM   3278 N N      . LEU   B 1 99  ? -27.671 -30.513 -20.992 1.00 14.45 ? 116 LEU   B N      1 
ATOM   3279 C CA     . LEU   B 1 99  ? -27.623 -31.460 -19.882 1.00 14.43 ? 116 LEU   B CA     1 
ATOM   3280 C C      . LEU   B 1 99  ? -26.469 -31.046 -18.981 1.00 13.85 ? 116 LEU   B C      1 
ATOM   3281 O O      . LEU   B 1 99  ? -25.317 -31.049 -19.427 1.00 14.14 ? 116 LEU   B O      1 
ATOM   3282 C CB     . LEU   B 1 99  ? -27.394 -32.889 -20.379 1.00 15.43 ? 116 LEU   B CB     1 
ATOM   3283 C CG     . LEU   B 1 99  ? -27.062 -33.919 -19.311 1.00 15.99 ? 116 LEU   B CG     1 
ATOM   3284 C CD1    . LEU   B 1 99  ? -28.189 -34.078 -18.309 1.00 17.81 ? 116 LEU   B CD1    1 
ATOM   3285 C CD2    . LEU   B 1 99  ? -26.735 -35.264 -19.963 1.00 18.53 ? 116 LEU   B CD2    1 
ATOM   3286 H H      . LEU   B 1 99  ? -26.913 -30.435 -21.392 1.00 17.34 ? 116 LEU   B H      1 
ATOM   3287 H HA     . LEU   B 1 99  ? -28.459 -31.434 -19.390 1.00 17.32 ? 116 LEU   B HA     1 
ATOM   3288 H HB2    . LEU   B 1 99  ? -28.201 -33.187 -20.826 1.00 18.51 ? 116 LEU   B HB2    1 
ATOM   3289 H HB3    . LEU   B 1 99  ? -26.653 -32.876 -21.006 1.00 18.51 ? 116 LEU   B HB3    1 
ATOM   3290 H HG     . LEU   B 1 99  ? -26.286 -33.609 -18.819 1.00 19.19 ? 116 LEU   B HG     1 
ATOM   3291 H HD11   . LEU   B 1 99  ? -27.949 -34.767 -17.670 1.00 21.38 ? 116 LEU   B HD11   1 
ATOM   3292 H HD12   . LEU   B 1 99  ? -28.325 -33.234 -17.850 1.00 21.38 ? 116 LEU   B HD12   1 
ATOM   3293 H HD13   . LEU   B 1 99  ? -28.998 -34.332 -18.781 1.00 21.38 ? 116 LEU   B HD13   1 
ATOM   3294 H HD21   . LEU   B 1 99  ? -26.547 -35.915 -19.268 1.00 22.24 ? 116 LEU   B HD21   1 
ATOM   3295 H HD22   . LEU   B 1 99  ? -27.496 -35.553 -20.490 1.00 22.24 ? 116 LEU   B HD22   1 
ATOM   3296 H HD23   . LEU   B 1 99  ? -25.958 -35.158 -20.535 1.00 22.24 ? 116 LEU   B HD23   1 
ATOM   3297 N N      . CYS   B 1 100 ? -26.759 -30.687 -17.734 1.00 13.07 ? 117 CYS   B N      1 
ATOM   3298 C CA     . CYS   B 1 100 ? -25.757 -30.369 -16.734 1.00 12.61 ? 117 CYS   B CA     1 
ATOM   3299 C C      . CYS   B 1 100 ? -25.708 -31.466 -15.684 1.00 12.78 ? 117 CYS   B C      1 
ATOM   3300 O O      . CYS   B 1 100 ? -26.750 -32.005 -15.282 1.00 14.22 ? 117 CYS   B O      1 
ATOM   3301 C CB     . CYS   B 1 100 ? -26.080 -29.041 -16.054 1.00 13.37 ? 117 CYS   B CB     1 
ATOM   3302 S SG     . CYS   B 1 100 ? -25.971 -27.603 -17.072 1.00 13.69 ? 117 CYS   B SG     1 
ATOM   3303 H H      . CYS   B 1 100 ? -27.563 -30.619 -17.436 1.00 15.68 ? 117 CYS   B H      1 
ATOM   3304 H HA     . CYS   B 1 100 ? -24.887 -30.306 -17.158 1.00 15.13 ? 117 CYS   B HA     1 
ATOM   3305 H HB2    . CYS   B 1 100 ? -26.988 -29.086 -15.718 1.00 16.05 ? 117 CYS   B HB2    1 
ATOM   3306 H HB3    . CYS   B 1 100 ? -25.459 -28.919 -15.319 1.00 16.05 ? 117 CYS   B HB3    1 
ATOM   3307 H HG     . CYS   B 1 100 ? -26.775 -27.690 -17.959 1.00 16.43 ? 117 CYS   B HG     1 
ATOM   3308 N N      . LEU   B 1 101 ? -24.493 -31.757 -15.224 1.00 12.29 ? 118 LEU   B N      1 
ATOM   3309 C CA     . LEU   B 1 101 ? -24.173 -32.837 -14.306 1.00 12.40 ? 118 LEU   B CA     1 
ATOM   3310 C C      . LEU   B 1 101 ? -23.447 -32.275 -13.099 1.00 11.79 ? 118 LEU   B C      1 
ATOM   3311 O O      . LEU   B 1 101 ? -22.393 -31.658 -13.254 1.00 12.51 ? 118 LEU   B O      1 
ATOM   3312 C CB     . LEU   B 1 101 ? -23.270 -33.825 -15.029 1.00 13.87 ? 118 LEU   B CB     1 
ATOM   3313 C CG     . LEU   B 1 101 ? -23.856 -34.419 -16.312 1.00 15.89 ? 118 LEU   B CG     1 
ATOM   3314 C CD1    . LEU   B 1 101 ? -22.813 -35.297 -16.986 1.00 19.52 ? 118 LEU   B CD1    1 
ATOM   3315 C CD2    . LEU   B 1 101 ? -25.140 -35.187 -16.079 1.00 19.22 ? 118 LEU   B CD2    1 
ATOM   3316 H H      . LEU   B 1 101 ? -23.794 -31.309 -15.446 1.00 14.75 ? 118 LEU   B H      1 
ATOM   3317 H HA     . LEU   B 1 101 ? -24.983 -33.269 -13.991 1.00 14.88 ? 118 LEU   B HA     1 
ATOM   3318 H HB2    . LEU   B 1 101 ? -22.447 -33.369 -15.268 1.00 16.64 ? 118 LEU   B HB2    1 
ATOM   3319 H HB3    . LEU   B 1 101 ? -23.078 -34.562 -14.428 1.00 16.64 ? 118 LEU   B HB3    1 
ATOM   3320 H HG     . LEU   B 1 101 ? -24.093 -33.685 -16.901 1.00 19.07 ? 118 LEU   B HG     1 
ATOM   3321 H HD11   . LEU   B 1 101 ? -23.192 -35.670 -17.798 1.00 23.42 ? 118 LEU   B HD11   1 
ATOM   3322 H HD12   . LEU   B 1 101 ? -22.037 -34.758 -17.202 1.00 23.42 ? 118 LEU   B HD12   1 
ATOM   3323 H HD13   . LEU   B 1 101 ? -22.562 -36.012 -16.380 1.00 23.42 ? 118 LEU   B HD13   1 
ATOM   3324 H HD21   . LEU   B 1 101 ? -25.422 -35.590 -16.915 1.00 23.07 ? 118 LEU   B HD21   1 
ATOM   3325 H HD22   . LEU   B 1 101 ? -24.979 -35.878 -15.417 1.00 23.07 ? 118 LEU   B HD22   1 
ATOM   3326 H HD23   . LEU   B 1 101 ? -25.821 -34.575 -15.760 1.00 23.07 ? 118 LEU   B HD23   1 
ATOM   3327 N N      . PHE   B 1 102 ? -23.999 -32.486 -11.909 1.00 12.46 ? 119 PHE   B N      1 
ATOM   3328 C CA     . PHE   B 1 102 ? -23.461 -31.909 -10.679 1.00 12.48 ? 119 PHE   B CA     1 
ATOM   3329 C C      . PHE   B 1 102 ? -23.318 -32.991 -9.617  1.00 13.11 ? 119 PHE   B C      1 
ATOM   3330 O O      . PHE   B 1 102 ? -24.219 -33.793 -9.436  1.00 14.21 ? 119 PHE   B O      1 
ATOM   3331 C CB     . PHE   B 1 102 ? -24.429 -30.841 -10.135 1.00 12.68 ? 119 PHE   B CB     1 
ATOM   3332 C CG     . PHE   B 1 102 ? -23.985 -30.265 -8.818  1.00 12.09 ? 119 PHE   B CG     1 
ATOM   3333 C CD1    . PHE   B 1 102 ? -22.905 -29.406 -8.759  1.00 12.34 ? 119 PHE   B CD1    1 
ATOM   3334 C CD2    . PHE   B 1 102 ? -24.606 -30.618 -7.631  1.00 12.99 ? 119 PHE   B CD2    1 
ATOM   3335 C CE1    . PHE   B 1 102 ? -22.442 -28.900 -7.542  1.00 13.46 ? 119 PHE   B CE1    1 
ATOM   3336 C CE2    . PHE   B 1 102 ? -24.144 -30.112 -6.422  1.00 14.43 ? 119 PHE   B CE2    1 
ATOM   3337 C CZ     . PHE   B 1 102 ? -23.062 -29.252 -6.386  1.00 13.98 ? 119 PHE   B CZ     1 
ATOM   3338 H H      . PHE   B 1 102 ? -24.699 -32.969 -11.784 1.00 14.95 ? 119 PHE   B H      1 
ATOM   3339 H HA     . PHE   B 1 102 ? -22.588 -31.524 -10.857 1.00 14.97 ? 119 PHE   B HA     1 
ATOM   3340 H HB2    . PHE   B 1 102 ? -24.490 -30.114 -10.775 1.00 15.22 ? 119 PHE   B HB2    1 
ATOM   3341 H HB3    . PHE   B 1 102 ? -25.303 -31.243 -10.007 1.00 15.22 ? 119 PHE   B HB3    1 
ATOM   3342 H HD1    . PHE   B 1 102 ? -22.476 -29.159 -9.547  1.00 14.81 ? 119 PHE   B HD1    1 
ATOM   3343 H HD2    . PHE   B 1 102 ? -25.335 -31.196 -7.643  1.00 15.59 ? 119 PHE   B HD2    1 
ATOM   3344 H HE1    . PHE   B 1 102 ? -21.712 -28.324 -7.523  1.00 16.15 ? 119 PHE   B HE1    1 
ATOM   3345 H HE2    . PHE   B 1 102 ? -24.567 -30.353 -5.629  1.00 17.32 ? 119 PHE   B HE2    1 
ATOM   3346 H HZ     . PHE   B 1 102 ? -22.760 -28.916 -5.573  1.00 16.78 ? 119 PHE   B HZ     1 
ATOM   3347 N N      . ARG   B 1 103 ? -22.189 -32.979 -8.882  1.00 12.41 ? 120 ARG   B N      1 
ATOM   3348 C CA     . ARG   B 1 103 ? -21.915 -33.960 -7.845  1.00 12.73 ? 120 ARG   B CA     1 
ATOM   3349 C C      . ARG   B 1 103 ? -22.098 -33.362 -6.468  1.00 12.83 ? 120 ARG   B C      1 
ATOM   3350 O O      . ARG   B 1 103 ? -21.223 -32.615 -6.005  1.00 13.32 ? 120 ARG   B O      1 
ATOM   3351 C CB     . ARG   B 1 103 ? -20.510 -34.536 -7.985  1.00 13.80 ? 120 ARG   B CB     1 
ATOM   3352 C CG     . ARG   B 1 103 ? -20.237 -35.174 -9.318  1.00 15.10 ? 120 ARG   B CG     1 
ATOM   3353 C CD     . ARG   B 1 103 ? -18.986 -36.020 -9.339  1.00 17.55 ? 120 ARG   B CD     1 
ATOM   3354 N NE     . ARG   B 1 103 ? -17.849 -35.451 -8.615  1.00 16.61 ? 120 ARG   B NE     1 
ATOM   3355 C CZ     . ARG   B 1 103 ? -17.099 -34.441 -9.034  1.00 15.58 ? 120 ARG   B CZ     1 
ATOM   3356 N NH1    . ARG   B 1 103 ? -17.356 -33.807 -10.166 1.00 15.64 ? 120 ARG   B NH1    1 
ATOM   3357 N NH2    . ARG   B 1 103 ? -16.056 -34.063 -8.298  1.00 17.34 ? 120 ARG   B NH2    1 
ATOM   3358 H H      . ARG   B 1 103 ? -21.563 -32.397 -8.976  1.00 14.89 ? 120 ARG   B H      1 
ATOM   3359 H HA     . ARG   B 1 103 ? -22.562 -34.677 -7.943  1.00 15.27 ? 120 ARG   B HA     1 
ATOM   3360 H HB2    . ARG   B 1 103 ? -19.867 -33.819 -7.866  1.00 16.56 ? 120 ARG   B HB2    1 
ATOM   3361 H HB3    . ARG   B 1 103 ? -20.382 -35.213 -7.303  1.00 16.56 ? 120 ARG   B HB3    1 
ATOM   3362 H HG2    . ARG   B 1 103 ? -20.985 -35.747 -9.549  1.00 18.12 ? 120 ARG   B HG2    1 
ATOM   3363 H HG3    . ARG   B 1 103 ? -20.135 -34.477 -9.984  1.00 18.12 ? 120 ARG   B HG3    1 
ATOM   3364 H HD2    . ARG   B 1 103 ? -19.187 -36.880 -8.937  1.00 21.06 ? 120 ARG   B HD2    1 
ATOM   3365 H HD3    . ARG   B 1 103 ? -18.712 -36.142 -10.262 1.00 21.06 ? 120 ARG   B HD3    1 
ATOM   3366 H HE     . ARG   B 1 103 ? -17.650 -35.801 -7.855  1.00 19.93 ? 120 ARG   B HE     1 
ATOM   3367 H HH11   . ARG   B 1 103 ? -18.024 -34.048 -10.651 1.00 18.77 ? 120 ARG   B HH11   1 
ATOM   3368 H HH12   . ARG   B 1 103 ? -16.856 -33.155 -10.417 1.00 18.77 ? 120 ARG   B HH12   1 
ATOM   3369 H HH21   . ARG   B 1 103 ? -15.877 -34.473 -7.563  1.00 20.81 ? 120 ARG   B HH21   1 
ATOM   3370 H HH22   . ARG   B 1 103 ? -15.561 -33.410 -8.557  1.00 20.81 ? 120 ARG   B HH22   1 
ATOM   3371 N N      . PRO   B 1 104 ? -23.148 -33.730 -5.736  1.00 14.45 ? 121 PRO   B N      1 
ATOM   3372 C CA     . PRO   B 1 104 ? -23.261 -33.257 -4.350  1.00 15.25 ? 121 PRO   B CA     1 
ATOM   3373 C C      . PRO   B 1 104 ? -22.129 -33.712 -3.451  1.00 14.82 ? 121 PRO   B C      1 
ATOM   3374 O O      . PRO   B 1 104 ? -21.911 -33.068 -2.418  1.00 14.78 ? 121 PRO   B O      1 
ATOM   3375 C CB     . PRO   B 1 104 ? -24.618 -33.799 -3.874  1.00 18.03 ? 121 PRO   B CB     1 
ATOM   3376 C CG     . PRO   B 1 104 ? -25.379 -34.129 -5.114  1.00 24.18 ? 121 PRO   B CG     1 
ATOM   3377 C CD     . PRO   B 1 104 ? -24.357 -34.458 -6.175  1.00 15.67 ? 121 PRO   B CD     1 
ATOM   3378 H HA     . PRO   B 1 104 ? -23.299 -32.288 -4.345  1.00 18.30 ? 121 PRO   B HA     1 
ATOM   3379 H HB2    . PRO   B 1 104 ? -24.481 -34.591 -3.332  1.00 21.64 ? 121 PRO   B HB2    1 
ATOM   3380 H HB3    . PRO   B 1 104 ? -25.078 -33.119 -3.358  1.00 21.64 ? 121 PRO   B HB3    1 
ATOM   3381 H HG2    . PRO   B 1 104 ? -25.954 -34.892 -4.947  1.00 29.01 ? 121 PRO   B HG2    1 
ATOM   3382 H HG3    . PRO   B 1 104 ? -25.912 -33.364 -5.380  1.00 29.01 ? 121 PRO   B HG3    1 
ATOM   3383 H HD2    . PRO   B 1 104 ? -24.191 -35.413 -6.207  1.00 18.80 ? 121 PRO   B HD2    1 
ATOM   3384 H HD3    . PRO   B 1 104 ? -24.651 -34.143 -7.044  1.00 18.80 ? 121 PRO   B HD3    1 
ATOM   3385 N N      . GLN   B 1 105 ? -21.410 -34.787 -3.795  1.00 14.00 ? 122 GLN   B N      1 
ATOM   3386 C CA     . GLN   B 1 105 ? -20.272 -35.217 -2.983  1.00 15.37 ? 122 GLN   B CA     1 
ATOM   3387 C C      . GLN   B 1 105 ? -19.197 -34.133 -2.900  1.00 13.94 ? 122 GLN   B C      1 
ATOM   3388 O O      . GLN   B 1 105 ? -18.362 -34.181 -1.994  1.00 15.12 ? 122 GLN   B O      1 
ATOM   3389 C CB     . GLN   B 1 105 ? -19.723 -36.541 -3.503  1.00 15.70 ? 122 GLN   B CB     1 
ATOM   3390 C CG     . GLN   B 1 105 ? -18.629 -37.120 -2.657  1.00 17.54 ? 122 GLN   B CG     1 
ATOM   3391 C CD     . GLN   B 1 105 ? -17.256 -36.593 -2.990  1.00 17.54 ? 122 GLN   B CD     1 
ATOM   3392 O OE1    . GLN   B 1 105 ? -16.984 -36.186 -4.123  1.00 18.77 ? 122 GLN   B OE1    1 
ATOM   3393 N NE2    . GLN   B 1 105 ? -16.364 -36.620 -1.999  1.00 18.55 ? 122 GLN   B NE2    1 
ATOM   3394 H H      . GLN   B 1 105 ? -21.560 -35.277 -4.486  1.00 16.81 ? 122 GLN   B H      1 
ATOM   3395 H HA     . GLN   B 1 105 ? -20.562 -35.389 -2.074  1.00 18.45 ? 122 GLN   B HA     1 
ATOM   3396 H HB2    . GLN   B 1 105 ? -20.447 -37.187 -3.533  1.00 18.84 ? 122 GLN   B HB2    1 
ATOM   3397 H HB3    . GLN   B 1 105 ? -19.366 -36.402 -4.394  1.00 18.84 ? 122 GLN   B HB3    1 
ATOM   3398 H HG2    . GLN   B 1 105 ? -18.809 -36.910 -1.728  1.00 21.05 ? 122 GLN   B HG2    1 
ATOM   3399 H HG3    . GLN   B 1 105 ? -18.614 -38.082 -2.783  1.00 21.05 ? 122 GLN   B HG3    1 
ATOM   3400 H HE21   . GLN   B 1 105 ? -16.589 -36.925 -1.227  1.00 22.26 ? 122 GLN   B HE21   1 
ATOM   3401 H HE22   . GLN   B 1 105 ? -15.565 -36.332 -2.132  1.00 22.26 ? 122 GLN   B HE22   1 
ATOM   3402 N N      . SER   B 1 106 ? -19.219 -33.147 -3.804  1.00 13.43 ? 123 SER   B N      1 
ATOM   3403 C CA     . SER   B 1 106 ? -18.292 -32.022 -3.722  1.00 13.49 ? 123 SER   B CA     1 
ATOM   3404 C C      . SER   B 1 106 ? -18.515 -31.174 -2.480  1.00 13.35 ? 123 SER   B C      1 
ATOM   3405 O O      . SER   B 1 106 ? -17.641 -30.370 -2.130  1.00 15.12 ? 123 SER   B O      1 
ATOM   3406 C CB     . SER   B 1 106 ? -18.473 -31.114 -4.941  1.00 14.05 ? 123 SER   B CB     1 
ATOM   3407 O OG     . SER   B 1 106 ? -19.734 -30.459 -4.900  1.00 13.38 ? 123 SER   B OG     1 
ATOM   3408 H H      . SER   B 1 106 ? -19.761 -33.108 -4.471  1.00 16.12 ? 123 SER   B H      1 
ATOM   3409 H HA     . SER   B 1 106 ? -17.390 -32.380 -3.707  1.00 16.19 ? 123 SER   B HA     1 
ATOM   3410 H HB2    . SER   B 1 106 ? -17.770 -30.445 -4.944  1.00 16.86 ? 123 SER   B HB2    1 
ATOM   3411 H HB3    . SER   B 1 106 ? -18.422 -31.652 -5.746  1.00 16.86 ? 123 SER   B HB3    1 
ATOM   3412 H HG     . SER   B 1 106 ? -20.353 -31.027 -4.923  1.00 16.06 ? 123 SER   B HG     1 
ATOM   3413 N N      . GLY   B 1 107 ? -19.683 -31.269 -1.847  1.00 13.68 ? 124 GLY   B N      1 
ATOM   3414 C CA     . GLY   B 1 107 ? -20.055 -30.421 -0.742  1.00 13.65 ? 124 GLY   B CA     1 
ATOM   3415 C C      . GLY   B 1 107 ? -20.524 -29.041 -1.138  1.00 14.21 ? 124 GLY   B C      1 
ATOM   3416 O O      . GLY   B 1 107 ? -20.918 -28.264 -0.253  1.00 14.54 ? 124 GLY   B O      1 
ATOM   3417 H H      . GLY   B 1 107 ? -20.292 -31.841 -2.053  1.00 16.42 ? 124 GLY   B H      1 
ATOM   3418 H HA2    . GLY   B 1 107 ? -20.773 -30.848 -0.249  1.00 16.38 ? 124 GLY   B HA2    1 
ATOM   3419 H HA3    . GLY   B 1 107 ? -19.288 -30.317 -0.158  1.00 16.38 ? 124 GLY   B HA3    1 
ATOM   3420 N N      . ARG   B 1 108 ? -20.483 -28.710 -2.429  1.00 13.01 ? 125 ARG   B N      1 
ATOM   3421 C CA     A ARG   B 1 108 ? -20.897 -27.394 -2.891  0.63 13.02 ? 125 ARG   B CA     1 
ATOM   3422 C CA     B ARG   B 1 108 ? -20.896 -27.389 -2.875  0.37 13.11 ? 125 ARG   B CA     1 
ATOM   3423 C C      . ARG   B 1 108 ? -22.411 -27.298 -3.032  1.00 12.84 ? 125 ARG   B C      1 
ATOM   3424 O O      . ARG   B 1 108 ? -23.113 -28.295 -3.172  1.00 13.76 ? 125 ARG   B O      1 
ATOM   3425 C CB     A ARG   B 1 108 ? -20.275 -27.077 -4.253  0.63 14.43 ? 125 ARG   B CB     1 
ATOM   3426 C CB     B ARG   B 1 108 ? -20.256 -27.041 -4.221  0.37 14.48 ? 125 ARG   B CB     1 
ATOM   3427 C CG     A ARG   B 1 108 ? -18.763 -27.031 -4.205  0.63 15.63 ? 125 ARG   B CG     1 
ATOM   3428 C CG     B ARG   B 1 108 ? -18.744 -26.988 -4.180  0.37 15.68 ? 125 ARG   B CG     1 
ATOM   3429 C CD     A ARG   B 1 108 ? -18.160 -26.398 -5.445  0.63 16.69 ? 125 ARG   B CD     1 
ATOM   3430 C CD     B ARG   B 1 108 ? -18.193 -26.328 -5.427  0.37 16.75 ? 125 ARG   B CD     1 
ATOM   3431 N NE     A ARG   B 1 108 ? -16.703 -26.369 -5.374  0.63 17.51 ? 125 ARG   B NE     1 
ATOM   3432 N NE     B ARG   B 1 108 ? -16.756 -26.515 -5.574  0.37 18.01 ? 125 ARG   B NE     1 
ATOM   3433 C CZ     A ARG   B 1 108 ? -15.924 -27.341 -5.821  0.63 16.86 ? 125 ARG   B CZ     1 
ATOM   3434 C CZ     B ARG   B 1 108 ? -15.831 -25.634 -5.220  0.37 17.76 ? 125 ARG   B CZ     1 
ATOM   3435 N NH1    A ARG   B 1 108 ? -16.412 -28.330 -6.539  0.63 15.22 ? 125 ARG   B NH1    1 
ATOM   3436 N NH1    B ARG   B 1 108 ? -16.150 -24.475 -4.658  0.37 20.54 ? 125 ARG   B NH1    1 
ATOM   3437 N NH2    A ARG   B 1 108 ? -14.624 -27.318 -5.540  0.63 20.53 ? 125 ARG   B NH2    1 
ATOM   3438 N NH2    B ARG   B 1 108 ? -14.550 -25.921 -5.437  0.37 19.83 ? 125 ARG   B NH2    1 
ATOM   3439 H H      A ARG   B 1 108 ? -20.218 -29.234 -3.057  0.63 15.61 ? 125 ARG   B H      1 
ATOM   3440 H H      B ARG   B 1 108 ? -20.221 -29.232 -3.060  0.37 15.61 ? 125 ARG   B H      1 
ATOM   3441 H HA     A ARG   B 1 108 ? -20.601 -26.743 -2.235  0.63 15.62 ? 125 ARG   B HA     1 
ATOM   3442 H HA     B ARG   B 1 108 ? -20.610 -26.749 -2.205  0.37 15.73 ? 125 ARG   B HA     1 
ATOM   3443 H HB2    A ARG   B 1 108 ? -20.536 -27.763 -4.887  0.63 17.32 ? 125 ARG   B HB2    1 
ATOM   3444 H HB2    B ARG   B 1 108 ? -20.511 -27.714 -4.871  0.37 17.38 ? 125 ARG   B HB2    1 
ATOM   3445 H HB3    A ARG   B 1 108 ? -20.593 -26.210 -4.552  0.63 17.32 ? 125 ARG   B HB3    1 
ATOM   3446 H HB3    B ARG   B 1 108 ? -20.576 -26.170 -4.502  0.37 17.38 ? 125 ARG   B HB3    1 
ATOM   3447 H HG2    A ARG   B 1 108 ? -18.485 -26.510 -3.436  0.63 18.76 ? 125 ARG   B HG2    1 
ATOM   3448 H HG2    B ARG   B 1 108 ? -18.460 -26.473 -3.409  0.37 18.81 ? 125 ARG   B HG2    1 
ATOM   3449 H HG3    A ARG   B 1 108 ? -18.421 -27.936 -4.134  0.63 18.76 ? 125 ARG   B HG3    1 
ATOM   3450 H HG3    B ARG   B 1 108 ? -18.390 -27.889 -4.127  0.37 18.81 ? 125 ARG   B HG3    1 
ATOM   3451 H HD2    A ARG   B 1 108 ? -18.417 -26.912 -6.226  0.63 20.03 ? 125 ARG   B HD2    1 
ATOM   3452 H HD2    B ARG   B 1 108 ? -18.627 -26.712 -6.205  0.37 20.10 ? 125 ARG   B HD2    1 
ATOM   3453 H HD3    A ARG   B 1 108 ? -18.480 -25.486 -5.528  0.63 20.03 ? 125 ARG   B HD3    1 
ATOM   3454 H HD3    B ARG   B 1 108 ? -18.369 -25.375 -5.385  0.37 20.10 ? 125 ARG   B HD3    1 
ATOM   3455 H HE     A ARG   B 1 108 ? -16.329 -25.680 -5.021  0.63 21.01 ? 125 ARG   B HE     1 
ATOM   3456 H HE     B ARG   B 1 108 ? -16.486 -27.256 -5.918  0.37 21.61 ? 125 ARG   B HE     1 
ATOM   3457 H HH11   A ARG   B 1 108 ? -17.251 -28.353 -6.725  0.63 18.27 ? 125 ARG   B HH11   1 
ATOM   3458 H HH11   B ARG   B 1 108 ? -16.975 -24.279 -4.514  0.37 24.65 ? 125 ARG   B HH11   1 
ATOM   3459 H HH12   A ARG   B 1 108 ? -15.891 -28.954 -6.821  0.63 18.27 ? 125 ARG   B HH12   1 
ATOM   3460 H HH12   B ARG   B 1 108 ? -15.531 -23.919 -4.437  0.37 24.65 ? 125 ARG   B HH12   1 
ATOM   3461 H HH21   A ARG   B 1 108 ? -14.296 -26.676 -5.071  0.63 24.63 ? 125 ARG   B HH21   1 
ATOM   3462 H HH21   B ARG   B 1 108 ? -14.333 -26.669 -5.802  0.37 23.80 ? 125 ARG   B HH21   1 
ATOM   3463 H HH22   A ARG   B 1 108 ? -14.110 -27.946 -5.826  0.63 24.63 ? 125 ARG   B HH22   1 
ATOM   3464 H HH22   B ARG   B 1 108 ? -13.939 -25.359 -5.213  0.37 23.80 ? 125 ARG   B HH22   1 
ATOM   3465 N N      . VAL   B 1 109 ? -22.911 -26.065 -2.994  1.00 13.18 ? 126 VAL   B N      1 
ATOM   3466 C CA     . VAL   B 1 109 ? -24.277 -25.764 -3.384  1.00 13.22 ? 126 VAL   B CA     1 
ATOM   3467 C C      . VAL   B 1 109 ? -24.184 -25.200 -4.798  1.00 11.90 ? 126 VAL   B C      1 
ATOM   3468 O O      . VAL   B 1 109 ? -23.544 -24.167 -5.023  1.00 12.03 ? 126 VAL   B O      1 
ATOM   3469 C CB     . VAL   B 1 109 ? -24.931 -24.752 -2.437  1.00 14.75 ? 126 VAL   B CB     1 
ATOM   3470 C CG1    . VAL   B 1 109 ? -26.340 -24.476 -2.881  1.00 15.98 ? 126 VAL   B CG1    1 
ATOM   3471 C CG2    . VAL   B 1 109 ? -24.916 -25.276 -1.014  1.00 18.85 ? 126 VAL   B CG2    1 
ATOM   3472 H H      . VAL   B 1 109 ? -22.465 -25.375 -2.739  1.00 15.82 ? 126 VAL   B H      1 
ATOM   3473 H HA     . VAL   B 1 109 ? -24.820 -26.567 -3.373  1.00 15.86 ? 126 VAL   B HA     1 
ATOM   3474 H HB     . VAL   B 1 109 ? -24.431 -23.921 -2.457  1.00 17.70 ? 126 VAL   B HB     1 
ATOM   3475 H HG11   . VAL   B 1 109 ? -26.778 -23.923 -2.216  1.00 19.18 ? 126 VAL   B HG11   1 
ATOM   3476 H HG12   . VAL   B 1 109 ? -26.318 -24.014 -3.734  1.00 19.18 ? 126 VAL   B HG12   1 
ATOM   3477 H HG13   . VAL   B 1 109 ? -26.812 -25.318 -2.974  1.00 19.18 ? 126 VAL   B HG13   1 
ATOM   3478 H HG21   . VAL   B 1 109 ? -25.381 -24.647 -0.440  1.00 22.61 ? 126 VAL   B HG21   1 
ATOM   3479 H HG22   . VAL   B 1 109 ? -25.361 -26.138 -0.990  1.00 22.61 ? 126 VAL   B HG22   1 
ATOM   3480 H HG23   . VAL   B 1 109 ? -23.996 -25.372 -0.722  1.00 22.61 ? 126 VAL   B HG23   1 
ATOM   3481 N N      . LEU   B 1 110 ? -24.771 -25.887 -5.764  1.00 11.64 ? 127 LEU   B N      1 
ATOM   3482 C CA     . LEU   B 1 110 ? -24.660 -25.457 -7.155  1.00 11.56 ? 127 LEU   B CA     1 
ATOM   3483 C C      . LEU   B 1 110 ? -25.275 -24.075 -7.339  1.00 10.98 ? 127 LEU   B C      1 
ATOM   3484 O O      . LEU   B 1 110 ? -26.369 -23.791 -6.827  1.00 11.44 ? 127 LEU   B O      1 
ATOM   3485 C CB     . LEU   B 1 110 ? -25.386 -26.458 -8.067  1.00 12.27 ? 127 LEU   B CB     1 
ATOM   3486 C CG     . LEU   B 1 110 ? -25.491 -26.116 -9.555  1.00 11.68 ? 127 LEU   B CG     1 
ATOM   3487 C CD1    . LEU   B 1 110 ? -24.118 -26.010 -10.182 1.00 11.70 ? 127 LEU   B CD1    1 
ATOM   3488 C CD2    . LEU   B 1 110 ? -26.341 -27.144 -10.295 1.00 13.23 ? 127 LEU   B CD2    1 
ATOM   3489 H H      . LEU   B 1 110 ? -25.236 -26.601 -5.647  1.00 13.97 ? 127 LEU   B H      1 
ATOM   3490 H HA     . LEU   B 1 110 ? -23.724 -25.418 -7.405  1.00 13.88 ? 127 LEU   B HA     1 
ATOM   3491 H HB2    . LEU   B 1 110 ? -24.919 -27.306 -8.007  1.00 14.72 ? 127 LEU   B HB2    1 
ATOM   3492 H HB3    . LEU   B 1 110 ? -26.293 -26.555 -7.737  1.00 14.72 ? 127 LEU   B HB3    1 
ATOM   3493 H HG     . LEU   B 1 110 ? -25.927 -25.254 -9.642  1.00 14.02 ? 127 LEU   B HG     1 
ATOM   3494 H HD11   . LEU   B 1 110 ? -24.216 -25.837 -11.131 1.00 14.04 ? 127 LEU   B HD11   1 
ATOM   3495 H HD12   . LEU   B 1 110 ? -23.634 -25.282 -9.761  1.00 14.04 ? 127 LEU   B HD12   1 
ATOM   3496 H HD13   . LEU   B 1 110 ? -23.643 -26.845 -10.046 1.00 14.04 ? 127 LEU   B HD13   1 
ATOM   3497 H HD21   . LEU   B 1 110 ? -26.394 -26.894 -11.231 1.00 15.87 ? 127 LEU   B HD21   1 
ATOM   3498 H HD22   . LEU   B 1 110 ? -25.927 -28.017 -10.209 1.00 15.87 ? 127 LEU   B HD22   1 
ATOM   3499 H HD23   . LEU   B 1 110 ? -27.229 -27.158 -9.906  1.00 15.87 ? 127 LEU   B HD23   1 
ATOM   3500 N N      . SER   B 1 111 ? -24.593 -23.239 -8.116  1.00 10.84 ? 128 SER   B N      1 
ATOM   3501 C CA     . SER   B 1 111 ? -25.087 -21.944 -8.564  1.00 10.70 ? 128 SER   B CA     1 
ATOM   3502 C C      . SER   B 1 111 ? -26.590 -21.907 -8.813  1.00 11.62 ? 128 SER   B C      1 
ATOM   3503 O O      . SER   B 1 111 ? -27.123 -22.719 -9.577  1.00 11.39 ? 128 SER   B O      1 
ATOM   3504 C CB     . SER   B 1 111 ? -24.411 -21.606 -9.881  1.00 10.43 ? 128 SER   B CB     1 
ATOM   3505 O OG     . SER   B 1 111 ? -24.847 -20.347 -10.357 1.00 11.17 ? 128 SER   B OG     1 
ATOM   3506 H H      . SER   B 1 111 ? -23.803 -23.408 -8.411  1.00 13.01 ? 128 SER   B H      1 
ATOM   3507 H HA     . SER   B 1 111 ? -24.892 -21.304 -7.863  1.00 12.84 ? 128 SER   B HA     1 
ATOM   3508 H HB2    . SER   B 1 111 ? -23.451 -21.579 -9.746  1.00 12.52 ? 128 SER   B HB2    1 
ATOM   3509 H HB3    . SER   B 1 111 ? -24.635 -22.287 -10.535 1.00 12.52 ? 128 SER   B HB3    1 
ATOM   3510 H HG     . SER   B 1 111 ? -24.610 -19.742 -9.826  1.00 13.40 ? 128 SER   B HG     1 
ATOM   3511 N N      . ALA   B 1 112 ? -27.260 -20.894 -8.246  1.00 11.90 ? 129 ALA   B N      1 
ATOM   3512 C CA     . ALA   B 1 112 ? -28.678 -20.690 -8.519  1.00 12.25 ? 129 ALA   B CA     1 
ATOM   3513 C C      . ALA   B 1 112 ? -28.928 -20.381 -9.987  1.00 11.88 ? 129 ALA   B C      1 
ATOM   3514 O O      . ALA   B 1 112 ? -30.025 -20.664 -10.491 1.00 12.78 ? 129 ALA   B O      1 
ATOM   3515 C CB     . ALA   B 1 112 ? -29.237 -19.559 -7.658  1.00 13.60 ? 129 ALA   B CB     1 
ATOM   3516 H H      . ALA   B 1 112 ? -26.917 -20.320 -7.706  1.00 14.28 ? 129 ALA   B H      1 
ATOM   3517 H HA     . ALA   B 1 112 ? -29.147 -21.507 -8.287  1.00 14.70 ? 129 ALA   B HA     1 
ATOM   3518 H HB1    . ALA   B 1 112 ? -30.182 -19.454 -7.850  1.00 16.32 ? 129 ALA   B HB1    1 
ATOM   3519 H HB2    . ALA   B 1 112 ? -29.112 -19.783 -6.722  1.00 16.32 ? 129 ALA   B HB2    1 
ATOM   3520 H HB3    . ALA   B 1 112 ? -28.764 -18.739 -7.868  1.00 16.32 ? 129 ALA   B HB3    1 
ATOM   3521 N N      . MET   B 1 113 ? -27.958 -19.801 -10.696 1.00 12.26 ? 130 MET   B N      1 
ATOM   3522 C CA     . MET   B 1 113 ? -28.183 -19.465 -12.099 1.00 12.24 ? 130 MET   B CA     1 
ATOM   3523 C C      . MET   B 1 113 ? -28.310 -20.715 -12.938 1.00 12.07 ? 130 MET   B C      1 
ATOM   3524 O O      . MET   B 1 113 ? -29.046 -20.726 -13.928 1.00 14.71 ? 130 MET   B O      1 
ATOM   3525 C CB     . MET   B 1 113 ? -27.059 -18.576 -12.621 1.00 11.87 ? 130 MET   B CB     1 
ATOM   3526 C CG     . MET   B 1 113 ? -26.928 -17.287 -11.805 1.00 12.89 ? 130 MET   B CG     1 
ATOM   3527 S SD     . MET   B 1 113 ? -28.462 -16.361 -11.571 1.00 14.60 ? 130 MET   B SD     1 
ATOM   3528 C CE     . MET   B 1 113 ? -28.795 -15.911 -13.232 1.00 17.42 ? 130 MET   B CE     1 
ATOM   3529 H H      . MET   B 1 113 ? -27.179 -19.597 -10.394 1.00 14.71 ? 130 MET   B H      1 
ATOM   3530 H HA     . MET   B 1 113 ? -29.003 -18.953 -12.171 1.00 14.69 ? 130 MET   B HA     1 
ATOM   3531 H HB2    . MET   B 1 113 ? -26.219 -19.058 -12.566 1.00 14.24 ? 130 MET   B HB2    1 
ATOM   3532 H HB3    . MET   B 1 113 ? -27.244 -18.336 -13.542 1.00 14.24 ? 130 MET   B HB3    1 
ATOM   3533 H HG2    . MET   B 1 113 ? -26.590 -17.514 -10.925 1.00 15.46 ? 130 MET   B HG2    1 
ATOM   3534 H HG3    . MET   B 1 113 ? -26.302 -16.700 -12.258 1.00 15.46 ? 130 MET   B HG3    1 
ATOM   3535 H HE1    . MET   B 1 113 ? -29.613 -15.391 -13.261 1.00 20.91 ? 130 MET   B HE1    1 
ATOM   3536 H HE2    . MET   B 1 113 ? -28.055 -15.383 -13.570 1.00 20.91 ? 130 MET   B HE2    1 
ATOM   3537 H HE3    . MET   B 1 113 ? -28.896 -16.717 -13.764 1.00 20.91 ? 130 MET   B HE3    1 
ATOM   3538 N N      . ILE   B 1 114 ? -27.599 -21.773 -12.580 1.00 12.06 ? 131 ILE   B N      1 
ATOM   3539 C CA     . ILE   B 1 114 ? -27.649 -23.011 -13.344 1.00 12.02 ? 131 ILE   B CA     1 
ATOM   3540 C C      . ILE   B 1 114 ? -28.831 -23.865 -12.895 1.00 13.27 ? 131 ILE   B C      1 
ATOM   3541 O O      . ILE   B 1 114 ? -29.633 -24.325 -13.706 1.00 13.80 ? 131 ILE   B O      1 
ATOM   3542 C CB     . ILE   B 1 114 ? -26.304 -23.769 -13.230 1.00 12.39 ? 131 ILE   B CB     1 
ATOM   3543 C CG1    . ILE   B 1 114 ? -25.143 -22.876 -13.692 1.00 13.50 ? 131 ILE   B CG1    1 
ATOM   3544 C CG2    . ILE   B 1 114 ? -26.369 -25.072 -14.013 1.00 13.34 ? 131 ILE   B CG2    1 
ATOM   3545 C CD1    . ILE   B 1 114 ? -25.297 -22.229 -15.040 1.00 14.46 ? 131 ILE   B CD1    1 
ATOM   3546 H H      . ILE   B 1 114 ? -27.077 -21.801 -11.897 1.00 14.47 ? 131 ILE   B H      1 
ATOM   3547 H HA     . ILE   B 1 114 ? -27.773 -22.800 -14.282 1.00 14.43 ? 131 ILE   B HA     1 
ATOM   3548 H HB     . ILE   B 1 114 ? -26.143 -23.991 -12.300 1.00 14.87 ? 131 ILE   B HB     1 
ATOM   3549 H HG12   . ILE   B 1 114 ? -25.035 -22.162 -13.044 1.00 16.20 ? 131 ILE   B HG12   1 
ATOM   3550 H HG13   . ILE   B 1 114 ? -24.340 -23.418 -13.726 1.00 16.20 ? 131 ILE   B HG13   1 
ATOM   3551 H HG21   . ILE   B 1 114 ? -25.478 -25.450 -14.073 1.00 16.00 ? 131 ILE   B HG21   1 
ATOM   3552 H HG22   . ILE   B 1 114 ? -26.960 -25.688 -13.552 1.00 16.00 ? 131 ILE   B HG22   1 
ATOM   3553 H HG23   . ILE   B 1 114 ? -26.711 -24.889 -14.903 1.00 16.00 ? 131 ILE   B HG23   1 
ATOM   3554 H HD11   . ILE   B 1 114 ? -24.447 -21.843 -15.304 1.00 17.36 ? 131 ILE   B HD11   1 
ATOM   3555 H HD12   . ILE   B 1 114 ? -25.569 -22.902 -15.684 1.00 17.36 ? 131 ILE   B HD12   1 
ATOM   3556 H HD13   . ILE   B 1 114 ? -25.972 -21.535 -14.982 1.00 17.36 ? 131 ILE   B HD13   1 
ATOM   3557 N N      . ARG   B 1 115 ? -28.981 -24.059 -11.583 1.00 14.07 ? 132 ARG   B N      1 
ATOM   3558 C CA     . ARG   B 1 115 ? -30.120 -24.793 -11.059 1.00 15.41 ? 132 ARG   B CA     1 
ATOM   3559 C C      . ARG   B 1 115 ? -31.410 -24.122 -11.481 1.00 15.21 ? 132 ARG   B C      1 
ATOM   3560 O O      . ARG   B 1 115 ? -32.375 -24.807 -11.833 1.00 16.68 ? 132 ARG   B O      1 
ATOM   3561 C CB     . ARG   B 1 115 ? -29.981 -24.889 -9.533  1.00 16.41 ? 132 ARG   B CB     1 
ATOM   3562 C CG     . ARG   B 1 115 ? -30.981 -25.737 -8.821  1.00 19.18 ? 132 ARG   B CG     1 
ATOM   3563 C CD     . ARG   B 1 115 ? -30.628 -27.210 -8.891  1.00 20.10 ? 132 ARG   B CD     1 
ATOM   3564 N NE     . ARG   B 1 115 ? -29.487 -27.646 -8.084  1.00 17.94 ? 132 ARG   B NE     1 
ATOM   3565 C CZ     . ARG   B 1 115 ? -29.123 -28.926 -7.994  1.00 15.60 ? 132 ARG   B CZ     1 
ATOM   3566 N NH1    . ARG   B 1 115 ? -29.728 -29.859 -8.704  1.00 19.86 ? 132 ARG   B NH1    1 
ATOM   3567 N NH2    . ARG   B 1 115 ? -28.128 -29.266 -7.192  1.00 17.23 ? 132 ARG   B NH2    1 
ATOM   3568 H H      . ARG   B 1 115 ? -28.436 -23.775 -10.981 1.00 16.89 ? 132 ARG   B H      1 
ATOM   3569 H HA     . ARG   B 1 115 ? -30.145 -25.699 -11.404 1.00 18.49 ? 132 ARG   B HA     1 
ATOM   3570 H HB2    . ARG   B 1 115 ? -29.106 -25.256 -9.334  1.00 19.69 ? 132 ARG   B HB2    1 
ATOM   3571 H HB3    . ARG   B 1 115 ? -30.057 -23.994 -9.168  1.00 19.69 ? 132 ARG   B HB3    1 
ATOM   3572 H HG2    . ARG   B 1 115 ? -31.013 -25.477 -7.887  1.00 23.01 ? 132 ARG   B HG2    1 
ATOM   3573 H HG3    . ARG   B 1 115 ? -31.853 -25.614 -9.229  1.00 23.01 ? 132 ARG   B HG3    1 
ATOM   3574 H HD2    . ARG   B 1 115 ? -31.397 -27.720 -8.594  1.00 24.12 ? 132 ARG   B HD2    1 
ATOM   3575 H HD3    . ARG   B 1 115 ? -30.421 -27.428 -9.814  1.00 24.12 ? 132 ARG   B HD3    1 
ATOM   3576 H HE     . ARG   B 1 115 ? -29.036 -27.056 -7.651  1.00 21.53 ? 132 ARG   B HE     1 
ATOM   3577 H HH11   . ARG   B 1 115 ? -30.370 -29.647 -9.236  1.00 23.83 ? 132 ARG   B HH11   1 
ATOM   3578 H HH12   . ARG   B 1 115 ? -29.481 -30.680 -8.634  1.00 23.83 ? 132 ARG   B HH12   1 
ATOM   3579 H HH21   . ARG   B 1 115 ? -27.721 -28.663 -6.732  1.00 20.68 ? 132 ARG   B HH21   1 
ATOM   3580 H HH22   . ARG   B 1 115 ? -27.888 -30.089 -7.129  1.00 20.68 ? 132 ARG   B HH22   1 
ATOM   3581 N N      . GLY   B 1 116 ? -31.442 -22.775 -11.476 1.00 14.42 ? 133 GLY   B N      1 
ATOM   3582 C CA     . GLY   B 1 116 ? -32.646 -22.038 -11.811 1.00 15.14 ? 133 GLY   B CA     1 
ATOM   3583 C C      . GLY   B 1 116 ? -32.944 -21.891 -13.292 1.00 15.08 ? 133 GLY   B C      1 
ATOM   3584 O O      . GLY   B 1 116 ? -34.068 -21.552 -13.649 1.00 17.06 ? 133 GLY   B O      1 
ATOM   3585 H H      . GLY   B 1 116 ? -30.771 -22.274 -11.278 1.00 17.31 ? 133 GLY   B H      1 
ATOM   3586 H HA2    . GLY   B 1 116 ? -33.403 -22.488 -11.405 1.00 18.17 ? 133 GLY   B HA2    1 
ATOM   3587 H HA3    . GLY   B 1 116 ? -32.572 -21.145 -11.439 1.00 18.17 ? 133 GLY   B HA3    1 
ATOM   3588 N N      . ALA   B 1 117 ? -31.958 -22.098 -14.158 1.00 13.94 ? 134 ALA   B N      1 
ATOM   3589 C CA     . ALA   B 1 117 ? -32.153 -22.080 -15.601 1.00 15.31 ? 134 ALA   B CA     1 
ATOM   3590 C C      . ALA   B 1 117 ? -32.845 -23.333 -16.089 1.00 15.38 ? 134 ALA   B C      1 
ATOM   3591 O O      . ALA   B 1 117 ? -33.412 -23.332 -17.183 1.00 18.85 ? 134 ALA   B O      1 
ATOM   3592 C CB     . ALA   B 1 117 ? -30.783 -21.982 -16.288 1.00 15.26 ? 134 ALA   B CB     1 
ATOM   3593 H H      . ALA   B 1 117 ? -31.144 -22.255 -13.929 1.00 16.73 ? 134 ALA   B H      1 
ATOM   3594 H HA     . ALA   B 1 117 ? -32.693 -21.311 -15.842 1.00 18.37 ? 134 ALA   B HA     1 
ATOM   3595 H HB1    . ALA   B 1 117 ? -30.910 -21.981 -17.249 1.00 18.31 ? 134 ALA   B HB1    1 
ATOM   3596 H HB2    . ALA   B 1 117 ? -30.349 -21.160 -16.011 1.00 18.31 ? 134 ALA   B HB2    1 
ATOM   3597 H HB3    . ALA   B 1 117 ? -30.243 -22.745 -16.026 1.00 18.31 ? 134 ALA   B HB3    1 
ATOM   3598 N N      . ALA   B 1 118 ? -32.809 -24.402 -15.303 1.00 16.57 ? 135 ALA   B N      1 
ATOM   3599 C CA     . ALA   B 1 118 ? -33.335 -25.682 -15.746 1.00 16.02 ? 135 ALA   B CA     1 
ATOM   3600 C C      . ALA   B 1 118 ? -34.848 -25.634 -15.863 1.00 17.15 ? 135 ALA   B C      1 
ATOM   3601 O O      . ALA   B 1 118 ? -35.541 -24.990 -15.073 1.00 19.86 ? 135 ALA   B O      1 
ATOM   3602 C CB     . ALA   B 1 118 ? -32.948 -26.786 -14.765 1.00 18.03 ? 135 ALA   B CB     1 
ATOM   3603 H H      . ALA   B 1 118 ? -32.485 -24.412 -14.507 1.00 19.88 ? 135 ALA   B H      1 
ATOM   3604 H HA     . ALA   B 1 118 ? -32.960 -25.887 -16.617 1.00 19.22 ? 135 ALA   B HA     1 
ATOM   3605 H HB1    . ALA   B 1 118 ? -33.280 -27.635 -15.097 1.00 21.63 ? 135 ALA   B HB1    1 
ATOM   3606 H HB2    . ALA   B 1 118 ? -31.982 -26.816 -14.688 1.00 21.63 ? 135 ALA   B HB2    1 
ATOM   3607 H HB3    . ALA   B 1 118 ? -33.343 -26.592 -13.900 1.00 21.63 ? 135 ALA   B HB3    1 
ATOM   3608 N N      . ASP   B 1 119 ? -35.374 -26.338 -16.856 1.00 17.57 ? 136 ASP   B N      1 
ATOM   3609 C CA     . ASP   B 1 119 ? -36.802 -26.500 -17.025 1.00 18.44 ? 136 ASP   B CA     1 
ATOM   3610 C C      . ASP   B 1 119 ? -37.196 -27.967 -17.007 1.00 20.35 ? 136 ASP   B C      1 
ATOM   3611 O O      . ASP   B 1 119 ? -38.386 -28.267 -17.157 1.00 22.44 ? 136 ASP   B O      1 
ATOM   3612 C CB     . ASP   B 1 119 ? -37.240 -25.789 -18.303 1.00 20.35 ? 136 ASP   B CB     1 
ATOM   3613 C CG     . ASP   B 1 119 ? -36.608 -26.359 -19.552 1.00 20.92 ? 136 ASP   B CG     1 
ATOM   3614 O OD1    . ASP   B 1 119 ? -36.076 -27.471 -19.508 1.00 19.54 ? 136 ASP   B OD1    1 
ATOM   3615 O OD2    . ASP   B 1 119 ? -36.675 -25.666 -20.600 1.00 27.61 ? 136 ASP   B OD2    1 
ATOM   3616 H H      . ASP   B 1 119 ? -34.909 -26.741 -17.457 1.00 21.09 ? 136 ASP   B H      1 
ATOM   3617 H HA     . ASP   B 1 119 ? -37.298 -26.075 -16.308 1.00 22.13 ? 136 ASP   B HA     1 
ATOM   3618 H HB2    . ASP   B 1 119 ? -38.202 -25.870 -18.393 1.00 24.43 ? 136 ASP   B HB2    1 
ATOM   3619 H HB3    . ASP   B 1 119 ? -36.989 -24.854 -18.243 1.00 24.43 ? 136 ASP   B HB3    1 
ATOM   3620 N N      . GLY   B 1 120 ? -36.242 -28.881 -16.794 1.00 18.66 ? 137 GLY   B N      1 
ATOM   3621 C CA     . GLY   B 1 120 ? -36.537 -30.294 -16.684 1.00 20.72 ? 137 GLY   B CA     1 
ATOM   3622 C C      . GLY   B 1 120 ? -36.711 -31.023 -17.992 1.00 19.95 ? 137 GLY   B C      1 
ATOM   3623 O O      . GLY   B 1 120 ? -36.970 -32.241 -17.976 1.00 22.81 ? 137 GLY   B O      1 
ATOM   3624 H H      . GLY   B 1 120 ? -35.407 -28.694 -16.709 1.00 22.39 ? 137 GLY   B H      1 
ATOM   3625 H HA2    . GLY   B 1 120 ? -35.813 -30.723 -16.203 1.00 24.87 ? 137 GLY   B HA2    1 
ATOM   3626 H HA3    . GLY   B 1 120 ? -37.358 -30.399 -16.178 1.00 24.87 ? 137 GLY   B HA3    1 
ATOM   3627 N N      . SER   B 1 121 ? -36.644 -30.335 -19.129 1.00 20.78 ? 138 SER   B N      1 
ATOM   3628 C CA     . SER   B 1 121 ? -36.811 -30.958 -20.440 1.00 22.18 ? 138 SER   B CA     1 
ATOM   3629 C C      . SER   B 1 121 ? -35.638 -30.547 -21.332 1.00 20.17 ? 138 SER   B C      1 
ATOM   3630 O O      . SER   B 1 121 ? -34.651 -31.285 -21.425 1.00 19.92 ? 138 SER   B O      1 
ATOM   3631 C CB     A SER   B 1 121 ? -38.161 -30.570 -21.042 0.54 25.66 ? 138 SER   B CB     1 
ATOM   3632 C CB     B SER   B 1 121 ? -38.158 -30.586 -21.053 0.46 25.65 ? 138 SER   B CB     1 
ATOM   3633 O OG     A SER   B 1 121 ? -38.288 -29.167 -21.181 0.54 26.71 ? 138 SER   B OG     1 
ATOM   3634 O OG     B SER   B 1 121 ? -38.425 -31.405 -22.181 0.46 24.44 ? 138 SER   B OG     1 
ATOM   3635 H H      . SER   B 1 121 ? -36.500 -29.488 -19.169 1.00 24.94 ? 138 SER   B H      1 
ATOM   3636 H HA     . SER   B 1 121 ? -36.813 -31.925 -20.372 1.00 26.61 ? 138 SER   B HA     1 
ATOM   3637 H HB2    A SER   B 1 121 ? -38.242 -30.979 -21.918 0.54 30.79 ? 138 SER   B HB2    1 
ATOM   3638 H HB2    B SER   B 1 121 ? -38.856 -30.717 -20.392 0.46 30.78 ? 138 SER   B HB2    1 
ATOM   3639 H HB3    A SER   B 1 121 ? -38.867 -30.891 -20.459 0.54 30.79 ? 138 SER   B HB3    1 
ATOM   3640 H HB3    B SER   B 1 121 ? -38.136 -29.657 -21.332 0.46 30.78 ? 138 SER   B HB3    1 
ATOM   3641 H HG     A SER   B 1 121 ? -39.027 -28.979 -21.532 0.54 32.05 ? 138 SER   B HG     1 
ATOM   3642 H HG     B SER   B 1 121 ? -39.157 -31.185 -22.530 0.46 29.33 ? 138 SER   B HG     1 
ATOM   3643 N N      . ARG   B 1 122 ? -35.690 -29.359 -21.946 1.00 22.54 ? 139 ARG   B N      1 
ATOM   3644 C CA     . ARG   B 1 122 ? -34.588 -28.933 -22.813 1.00 22.14 ? 139 ARG   B CA     1 
ATOM   3645 C C      . ARG   B 1 122 ? -33.379 -28.396 -22.051 1.00 22.05 ? 139 ARG   B C      1 
ATOM   3646 O O      . ARG   B 1 122 ? -32.297 -28.268 -22.639 1.00 23.83 ? 139 ARG   B O      1 
ATOM   3647 C CB     . ARG   B 1 122 ? -35.084 -27.907 -23.833 1.00 24.96 ? 139 ARG   B CB     1 
ATOM   3648 C CG     . ARG   B 1 122 ? -35.339 -28.515 -25.213 1.00 35.34 ? 139 ARG   B CG     1 
ATOM   3649 C CD     . ARG   B 1 122 ? -35.638 -27.467 -26.279 1.00 36.14 ? 139 ARG   B CD     1 
ATOM   3650 N NE     . ARG   B 1 122 ? -34.492 -27.109 -27.109 1.00 29.20 ? 139 ARG   B NE     1 
ATOM   3651 C CZ     . ARG   B 1 122 ? -33.984 -27.869 -28.066 1.00 29.65 ? 139 ARG   B CZ     1 
ATOM   3652 N NH1    . ARG   B 1 122 ? -34.401 -29.111 -28.259 1.00 33.66 ? 139 ARG   B NH1    1 
ATOM   3653 N NH2    . ARG   B 1 122 ? -33.040 -27.368 -28.862 1.00 30.66 ? 139 ARG   B NH2    1 
ATOM   3654 H H      . ARG   B 1 122 ? -36.337 -28.796 -21.879 1.00 27.05 ? 139 ARG   B H      1 
ATOM   3655 H HA     . ARG   B 1 122 ? -34.276 -29.707 -23.308 1.00 26.57 ? 139 ARG   B HA     1 
ATOM   3656 H HB2    . ARG   B 1 122 ? -35.917 -27.524 -23.515 1.00 29.95 ? 139 ARG   B HB2    1 
ATOM   3657 H HB3    . ARG   B 1 122 ? -34.415 -27.211 -23.931 1.00 29.95 ? 139 ARG   B HB3    1 
ATOM   3658 H HG2    . ARG   B 1 122 ? -34.552 -29.008 -25.492 1.00 42.41 ? 139 ARG   B HG2    1 
ATOM   3659 H HG3    . ARG   B 1 122 ? -36.102 -29.111 -25.159 1.00 42.41 ? 139 ARG   B HG3    1 
ATOM   3660 H HD2    . ARG   B 1 122 ? -36.329 -27.810 -26.866 1.00 43.37 ? 139 ARG   B HD2    1 
ATOM   3661 H HD3    . ARG   B 1 122 ? -35.947 -26.658 -25.841 1.00 43.37 ? 139 ARG   B HD3    1 
ATOM   3662 H HE     . ARG   B 1 122 ? -34.118 -26.347 -26.965 1.00 35.04 ? 139 ARG   B HE     1 
ATOM   3663 H HH11   . ARG   B 1 122 ? -35.015 -29.441 -27.756 1.00 40.39 ? 139 ARG   B HH11   1 
ATOM   3664 H HH12   . ARG   B 1 122 ? -34.057 -29.588 -28.887 1.00 40.39 ? 139 ARG   B HH12   1 
ATOM   3665 H HH21   . ARG   B 1 122 ? -32.769 -26.560 -28.751 1.00 36.79 ? 139 ARG   B HH21   1 
ATOM   3666 H HH22   . ARG   B 1 122 ? -32.703 -27.853 -29.487 1.00 36.79 ? 139 ARG   B HH22   1 
ATOM   3667 N N      . PHE   B 1 123 ? -33.511 -28.080 -20.774 1.00 17.88 ? 140 PHE   B N      1 
ATOM   3668 C CA     . PHE   B 1 123 ? -32.367 -27.735 -19.926 1.00 17.14 ? 140 PHE   B CA     1 
ATOM   3669 C C      . PHE   B 1 123 ? -32.556 -28.567 -18.668 1.00 14.38 ? 140 PHE   B C      1 
ATOM   3670 O O      . PHE   B 1 123 ? -33.443 -28.269 -17.861 1.00 16.11 ? 140 PHE   B O      1 
ATOM   3671 C CB     . PHE   B 1 123 ? -32.354 -26.231 -19.631 1.00 16.79 ? 140 PHE   B CB     1 
ATOM   3672 C CG     . PHE   B 1 123 ? -31.063 -25.711 -18.993 1.00 16.47 ? 140 PHE   B CG     1 
ATOM   3673 C CD1    . PHE   B 1 123 ? -30.535 -26.278 -17.844 1.00 15.93 ? 140 PHE   B CD1    1 
ATOM   3674 C CD2    . PHE   B 1 123 ? -30.429 -24.606 -19.530 1.00 15.98 ? 140 PHE   B CD2    1 
ATOM   3675 C CE1    . PHE   B 1 123 ? -29.366 -25.758 -17.257 1.00 16.49 ? 140 PHE   B CE1    1 
ATOM   3676 C CE2    . PHE   B 1 123 ? -29.264 -24.091 -18.959 1.00 16.29 ? 140 PHE   B CE2    1 
ATOM   3677 C CZ     . PHE   B 1 123 ? -28.744 -24.679 -17.825 1.00 16.13 ? 140 PHE   B CZ     1 
ATOM   3678 H H      . PHE   B 1 123 ? -34.265 -28.057 -20.362 1.00 21.45 ? 140 PHE   B H      1 
ATOM   3679 H HA     . PHE   B 1 123 ? -31.516 -27.949 -20.338 1.00 20.57 ? 140 PHE   B HA     1 
ATOM   3680 H HB2    . PHE   B 1 123 ? -32.479 -25.753 -20.466 1.00 20.15 ? 140 PHE   B HB2    1 
ATOM   3681 H HB3    . PHE   B 1 123 ? -33.082 -26.031 -19.021 1.00 20.15 ? 140 PHE   B HB3    1 
ATOM   3682 H HD1    . PHE   B 1 123 ? -30.957 -27.011 -17.457 1.00 19.11 ? 140 PHE   B HD1    1 
ATOM   3683 H HD2    . PHE   B 1 123 ? -30.785 -24.199 -20.286 1.00 19.18 ? 140 PHE   B HD2    1 
ATOM   3684 H HE1    . PHE   B 1 123 ? -29.018 -26.145 -16.487 1.00 19.79 ? 140 PHE   B HE1    1 
ATOM   3685 H HE2    . PHE   B 1 123 ? -28.842 -23.356 -19.340 1.00 19.55 ? 140 PHE   B HE2    1 
ATOM   3686 H HZ     . PHE   B 1 123 ? -27.966 -24.341 -17.445 1.00 19.35 ? 140 PHE   B HZ     1 
ATOM   3687 N N      . GLN   B 1 124 ? -31.743 -29.613 -18.508 1.00 15.14 ? 141 GLN   B N      1 
ATOM   3688 C CA     . GLN   B 1 124 ? -31.822 -30.518 -17.369 1.00 14.69 ? 141 GLN   B CA     1 
ATOM   3689 C C      . GLN   B 1 124 ? -30.569 -30.394 -16.516 1.00 15.65 ? 141 GLN   B C      1 
ATOM   3690 O O      . GLN   B 1 124 ? -29.457 -30.304 -17.044 1.00 15.47 ? 141 GLN   B O      1 
ATOM   3691 C CB     . GLN   B 1 124 ? -31.963 -31.974 -17.830 1.00 16.34 ? 141 GLN   B CB     1 
ATOM   3692 C CG     . GLN   B 1 124 ? -33.325 -32.242 -18.419 1.00 16.77 ? 141 GLN   B CG     1 
ATOM   3693 C CD     . GLN   B 1 124 ? -33.478 -33.649 -18.956 1.00 19.84 ? 141 GLN   B CD     1 
ATOM   3694 O OE1    . GLN   B 1 124 ? -32.949 -34.600 -18.368 1.00 19.45 ? 141 GLN   B OE1    1 
ATOM   3695 N NE2    . GLN   B 1 124 ? -34.144 -33.790 -20.086 1.00 19.48 ? 141 GLN   B NE2    1 
ATOM   3696 H H      . GLN   B 1 124 ? -31.120 -29.821 -19.064 1.00 18.17 ? 141 GLN   B H      1 
ATOM   3697 H HA     . GLN   B 1 124 ? -32.593 -30.281 -16.832 1.00 17.63 ? 141 GLN   B HA     1 
ATOM   3698 H HB2    . GLN   B 1 124 ? -31.295 -32.161 -18.509 1.00 19.60 ? 141 GLN   B HB2    1 
ATOM   3699 H HB3    . GLN   B 1 124 ? -31.838 -32.564 -17.070 1.00 19.60 ? 141 GLN   B HB3    1 
ATOM   3700 H HG2    . GLN   B 1 124 ? -33.996 -32.111 -17.730 1.00 20.13 ? 141 GLN   B HG2    1 
ATOM   3701 H HG3    . GLN   B 1 124 ? -33.477 -31.625 -19.152 1.00 20.13 ? 141 GLN   B HG3    1 
ATOM   3702 H HE21   . GLN   B 1 124 ? -34.467 -33.099 -20.484 1.00 23.38 ? 141 GLN   B HE21   1 
ATOM   3703 H HE22   . GLN   B 1 124 ? -34.254 -34.572 -20.426 1.00 23.38 ? 141 GLN   B HE22   1 
ATOM   3704 N N      . VAL   B 1 125 ? -30.756 -30.374 -15.206 1.00 13.57 ? 142 VAL   B N      1 
ATOM   3705 C CA     . VAL   B 1 125 ? -29.664 -30.403 -14.239 1.00 13.68 ? 142 VAL   B CA     1 
ATOM   3706 C C      . VAL   B 1 125 ? -29.860 -31.633 -13.366 1.00 14.63 ? 142 VAL   B C      1 
ATOM   3707 O O      . VAL   B 1 125 ? -30.872 -31.744 -12.657 1.00 16.71 ? 142 VAL   B O      1 
ATOM   3708 C CB     . VAL   B 1 125 ? -29.628 -29.128 -13.380 1.00 14.53 ? 142 VAL   B CB     1 
ATOM   3709 C CG1    . VAL   B 1 125 ? -28.554 -29.246 -12.305 1.00 16.41 ? 142 VAL   B CG1    1 
ATOM   3710 C CG2    . VAL   B 1 125 ? -29.392 -27.914 -14.253 1.00 14.88 ? 142 VAL   B CG2    1 
ATOM   3711 H H      . VAL   B 1 125 ? -31.533 -30.343 -14.838 1.00 16.29 ? 142 VAL   B H      1 
ATOM   3712 H HA     . VAL   B 1 125 ? -28.818 -30.482 -14.708 1.00 16.41 ? 142 VAL   B HA     1 
ATOM   3713 H HB     . VAL   B 1 125 ? -30.483 -29.016 -12.936 1.00 17.44 ? 142 VAL   B HB     1 
ATOM   3714 H HG11   . VAL   B 1 125 ? -28.389 -28.368 -11.926 1.00 19.69 ? 142 VAL   B HG11   1 
ATOM   3715 H HG12   . VAL   B 1 125 ? -28.864 -29.852 -11.614 1.00 19.69 ? 142 VAL   B HG12   1 
ATOM   3716 H HG13   . VAL   B 1 125 ? -27.741 -29.590 -12.706 1.00 19.69 ? 142 VAL   B HG13   1 
ATOM   3717 H HG21   . VAL   B 1 125 ? -29.529 -27.113 -13.724 1.00 17.86 ? 142 VAL   B HG21   1 
ATOM   3718 H HG22   . VAL   B 1 125 ? -28.481 -27.938 -14.588 1.00 17.86 ? 142 VAL   B HG22   1 
ATOM   3719 H HG23   . VAL   B 1 125 ? -30.017 -27.932 -14.995 1.00 17.86 ? 142 VAL   B HG23   1 
ATOM   3720 N N      . TRP   B 1 126 ? -28.898 -32.555 -13.411 1.00 14.14 ? 143 TRP   B N      1 
ATOM   3721 C CA     . TRP   B 1 126 ? -28.936 -33.800 -12.658 1.00 15.31 ? 143 TRP   B CA     1 
ATOM   3722 C C      . TRP   B 1 126 ? -27.836 -33.831 -11.611 1.00 15.46 ? 143 TRP   B C      1 
ATOM   3723 O O      . TRP   B 1 126 ? -26.648 -33.648 -11.928 1.00 15.62 ? 143 TRP   B O      1 
ATOM   3724 C CB     . TRP   B 1 126 ? -28.766 -35.013 -13.592 1.00 16.28 ? 143 TRP   B CB     1 
ATOM   3725 C CG     . TRP   B 1 126 ? -30.007 -35.284 -14.341 1.00 15.51 ? 143 TRP   B CG     1 
ATOM   3726 C CD1    . TRP   B 1 126 ? -30.362 -34.763 -15.551 1.00 16.90 ? 143 TRP   B CD1    1 
ATOM   3727 C CD2    . TRP   B 1 126 ? -31.111 -36.083 -13.909 1.00 15.47 ? 143 TRP   B CD2    1 
ATOM   3728 N NE1    . TRP   B 1 126 ? -31.619 -35.187 -15.897 1.00 16.48 ? 143 TRP   B NE1    1 
ATOM   3729 C CE2    . TRP   B 1 126 ? -32.096 -36.011 -14.909 1.00 15.85 ? 143 TRP   B CE2    1 
ATOM   3730 C CE3    . TRP   B 1 126 ? -31.363 -36.849 -12.770 1.00 18.08 ? 143 TRP   B CE3    1 
ATOM   3731 C CZ2    . TRP   B 1 126 ? -33.301 -36.677 -14.809 1.00 18.57 ? 143 TRP   B CZ2    1 
ATOM   3732 C CZ3    . TRP   B 1 126 ? -32.570 -37.507 -12.667 1.00 19.57 ? 143 TRP   B CZ3    1 
ATOM   3733 C CH2    . TRP   B 1 126 ? -33.521 -37.424 -13.685 1.00 18.53 ? 143 TRP   B CH2    1 
ATOM   3734 H H      . TRP   B 1 126 ? -28.188 -32.475 -13.890 1.00 16.97 ? 143 TRP   B H      1 
ATOM   3735 H HA     . TRP   B 1 126 ? -29.792 -33.852 -12.205 1.00 18.37 ? 143 TRP   B HA     1 
ATOM   3736 H HB2    . TRP   B 1 126 ? -28.056 -34.833 -14.228 1.00 19.53 ? 143 TRP   B HB2    1 
ATOM   3737 H HB3    . TRP   B 1 126 ? -28.548 -35.797 -13.065 1.00 19.53 ? 143 TRP   B HB3    1 
ATOM   3738 H HD1    . TRP   B 1 126 ? -29.829 -34.203 -16.067 1.00 20.27 ? 143 TRP   B HD1    1 
ATOM   3739 H HE1    . TRP   B 1 126 ? -32.040 -34.971 -16.615 1.00 19.78 ? 143 TRP   B HE1    1 
ATOM   3740 H HE3    . TRP   B 1 126 ? -30.729 -36.915 -12.093 1.00 21.70 ? 143 TRP   B HE3    1 
ATOM   3741 H HZ2    . TRP   B 1 126 ? -33.941 -36.621 -15.482 1.00 22.28 ? 143 TRP   B HZ2    1 
ATOM   3742 H HZ3    . TRP   B 1 126 ? -32.753 -38.014 -11.909 1.00 23.48 ? 143 TRP   B HZ3    1 
ATOM   3743 H HH2    . TRP   B 1 126 ? -34.323 -37.886 -13.596 1.00 22.24 ? 143 TRP   B HH2    1 
ATOM   3744 N N      . ASP   B 1 127 ? -28.234 -34.093 -10.379 1.00 15.81 ? 144 ASP   B N      1 
ATOM   3745 C CA     . ASP   B 1 127 ? -27.307 -34.506 -9.333  1.00 14.97 ? 144 ASP   B CA     1 
ATOM   3746 C C      . ASP   B 1 127 ? -26.949 -35.955 -9.576  1.00 16.19 ? 144 ASP   B C      1 
ATOM   3747 O O      . ASP   B 1 127 ? -27.814 -36.751 -9.928  1.00 19.31 ? 144 ASP   B O      1 
ATOM   3748 C CB     . ASP   B 1 127 ? -28.002 -34.398 -7.990  1.00 16.22 ? 144 ASP   B CB     1 
ATOM   3749 C CG     . ASP   B 1 127 ? -28.439 -32.983 -7.692  1.00 16.05 ? 144 ASP   B CG     1 
ATOM   3750 O OD1    . ASP   B 1 127 ? -27.603 -32.099 -7.540  1.00 17.22 ? 144 ASP   B OD1    1 
ATOM   3751 O OD2    . ASP   B 1 127 ? -29.652 -32.696 -7.739  1.00 20.96 ? 144 ASP   B OD2    1 
ATOM   3752 H H      . ASP   B 1 127 ? -29.050 -34.039 -10.114 1.00 18.97 ? 144 ASP   B H      1 
ATOM   3753 H HA     . ASP   B 1 127 ? -26.508 -33.956 -9.327  1.00 17.96 ? 144 ASP   B HA     1 
ATOM   3754 H HB2    . ASP   B 1 127 ? -28.789 -34.965 -7.991  1.00 19.46 ? 144 ASP   B HB2    1 
ATOM   3755 H HB3    . ASP   B 1 127 ? -27.391 -34.680 -7.291  1.00 19.46 ? 144 ASP   B HB3    1 
ATOM   3756 N N      . TYR   B 1 128 ? -25.684 -36.311 -9.373  1.00 15.78 ? 145 TYR   B N      1 
ATOM   3757 C CA     . TYR   B 1 128 ? -25.268 -37.685 -9.608  1.00 19.22 ? 145 TYR   B CA     1 
ATOM   3758 C C      . TYR   B 1 128 ? -24.068 -38.033 -8.747  1.00 17.35 ? 145 TYR   B C      1 
ATOM   3759 O O      . TYR   B 1 128 ? -23.351 -37.150 -8.258  1.00 17.27 ? 145 TYR   B O      1 
ATOM   3760 C CB     . TYR   B 1 128 ? -24.947 -37.953 -11.086 1.00 19.82 ? 145 TYR   B CB     1 
ATOM   3761 C CG     . TYR   B 1 128 ? -23.616 -37.392 -11.535 1.00 18.03 ? 145 TYR   B CG     1 
ATOM   3762 C CD1    . TYR   B 1 128 ? -23.440 -36.027 -11.736 1.00 17.31 ? 145 TYR   B CD1    1 
ATOM   3763 C CD2    . TYR   B 1 128 ? -22.532 -38.214 -11.749 1.00 20.23 ? 145 TYR   B CD2    1 
ATOM   3764 C CE1    . TYR   B 1 128 ? -22.230 -35.532 -12.139 1.00 16.54 ? 145 TYR   B CE1    1 
ATOM   3765 C CE2    . TYR   B 1 128 ? -21.327 -37.728 -12.149 1.00 18.86 ? 145 TYR   B CE2    1 
ATOM   3766 C CZ     . TYR   B 1 128 ? -21.170 -36.380 -12.344 1.00 18.22 ? 145 TYR   B CZ     1 
ATOM   3767 O OH     . TYR   B 1 128 ? -19.955 -35.920 -12.753 1.00 18.31 ? 145 TYR   B OH     1 
ATOM   3768 H H      . TYR   B 1 128 ? -25.061 -35.783 -9.105  1.00 18.93 ? 145 TYR   B H      1 
ATOM   3769 H HA     . TYR   B 1 128 ? -26.002 -38.261 -9.340  1.00 23.07 ? 145 TYR   B HA     1 
ATOM   3770 H HB2    . TYR   B 1 128 ? -24.928 -38.912 -11.232 1.00 23.78 ? 145 TYR   B HB2    1 
ATOM   3771 H HB3    . TYR   B 1 128 ? -25.638 -37.548 -11.634 1.00 23.78 ? 145 TYR   B HB3    1 
ATOM   3772 H HD1    . TYR   B 1 128 ? -24.151 -35.445 -11.596 1.00 20.77 ? 145 TYR   B HD1    1 
ATOM   3773 H HD2    . TYR   B 1 128 ? -22.628 -39.129 -11.617 1.00 24.28 ? 145 TYR   B HD2    1 
ATOM   3774 H HE1    . TYR   B 1 128 ? -22.125 -34.618 -12.274 1.00 19.85 ? 145 TYR   B HE1    1 
ATOM   3775 H HE2    . TYR   B 1 128 ? -20.613 -38.306 -12.290 1.00 22.63 ? 145 TYR   B HE2    1 
ATOM   3776 H HH     . TYR   B 1 128 ? -19.971 -35.083 -12.814 1.00 21.98 ? 145 TYR   B HH     1 
ATOM   3777 N N      . GLU   B 1 129 ? -23.852 -39.342 -8.598  1.00 20.22 ? 146 GLU   B N      1 
ATOM   3778 C CA     . GLU   B 1 129 ? -22.667 -39.878 -7.953  1.00 20.98 ? 146 GLU   B CA     1 
ATOM   3779 C C      . GLU   B 1 129 ? -21.684 -40.343 -9.022  1.00 25.53 ? 146 GLU   B C      1 
ATOM   3780 O O      . GLU   B 1 129 ? -22.094 -40.893 -10.048 1.00 23.45 ? 146 GLU   B O      1 
ATOM   3781 C CB     . GLU   B 1 129 ? -23.027 -41.063 -7.053  1.00 30.35 ? 146 GLU   B CB     1 
ATOM   3782 C CG     . GLU   B 1 129 ? -23.970 -40.732 -5.914  1.00 35.48 ? 146 GLU   B CG     1 
ATOM   3783 C CD     . GLU   B 1 129 ? -24.488 -41.971 -5.206  1.00 48.47 ? 146 GLU   B CD     1 
ATOM   3784 O OE1    . GLU   B 1 129 ? -24.271 -43.094 -5.717  1.00 56.07 ? 146 GLU   B OE1    1 
ATOM   3785 O OE2    . GLU   B 1 129 ? -25.121 -41.819 -4.140  1.00 52.69 ? 146 GLU   B OE2    1 
ATOM   3786 H H      . GLU   B 1 129 ? -24.395 -39.950 -8.871  1.00 24.26 ? 146 GLU   B H      1 
ATOM   3787 H HA     . GLU   B 1 129 ? -22.252 -39.192 -7.407  1.00 25.18 ? 146 GLU   B HA     1 
ATOM   3788 H HB2    . GLU   B 1 129 ? -23.453 -41.744 -7.596  1.00 36.41 ? 146 GLU   B HB2    1 
ATOM   3789 H HB3    . GLU   B 1 129 ? -22.210 -41.413 -6.663  1.00 36.41 ? 146 GLU   B HB3    1 
ATOM   3790 H HG2    . GLU   B 1 129 ? -23.501 -40.188 -5.262  1.00 42.57 ? 146 GLU   B HG2    1 
ATOM   3791 H HG3    . GLU   B 1 129 ? -24.732 -40.246 -6.265  1.00 42.57 ? 146 GLU   B HG3    1 
ATOM   3792 N N      . GLU   B 1 130 ? -20.389 -40.122 -8.774  1.00 30.63 ? 147 GLU   B N      1 
ATOM   3793 C CA     . GLU   B 1 130 ? -19.388 -40.319 -9.826  1.00 29.54 ? 147 GLU   B CA     1 
ATOM   3794 C C      . GLU   B 1 130 ? -19.467 -41.704 -10.458 1.00 30.94 ? 147 GLU   B C      1 
ATOM   3795 O O      . GLU   B 1 130 ? -19.308 -41.850 -11.675 1.00 32.28 ? 147 GLU   B O      1 
ATOM   3796 C CB     . GLU   B 1 130 ? -17.977 -40.014 -9.299  1.00 32.88 ? 147 GLU   B CB     1 
ATOM   3797 C CG     . GLU   B 1 130 ? -17.356 -40.994 -8.293  1.00 38.54 ? 147 GLU   B CG     1 
ATOM   3798 C CD     . GLU   B 1 130 ? -16.956 -42.328 -8.906  0.55 37.39 ? 147 GLU   B CD     1 
ATOM   3799 O OE1    . GLU   B 1 130 ? -16.582 -42.353 -10.097 0.62 38.65 ? 147 GLU   B OE1    1 
ATOM   3800 O OE2    . GLU   B 1 130 ? -16.993 -43.349 -8.191  0.70 43.45 ? 147 GLU   B OE2    1 
ATOM   3801 H H      . GLU   B 1 130 ? -20.069 -39.863 -8.019  1.00 36.75 ? 147 GLU   B H      1 
ATOM   3802 H HA     . GLU   B 1 130 ? -19.572 -39.683 -10.534 1.00 35.45 ? 147 GLU   B HA     1 
ATOM   3803 H HB2    . GLU   B 1 130 ? -17.378 -39.981 -10.061 1.00 39.46 ? 147 GLU   B HB2    1 
ATOM   3804 H HB3    . GLU   B 1 130 ? -18.006 -39.148 -8.862  1.00 39.46 ? 147 GLU   B HB3    1 
ATOM   3805 H HG2    . GLU   B 1 130 ? -16.559 -40.591 -7.916  1.00 46.24 ? 147 GLU   B HG2    1 
ATOM   3806 H HG3    . GLU   B 1 130 ? -18.001 -41.172 -7.592  1.00 46.24 ? 147 GLU   B HG3    1 
ATOM   3807 N N      . GLY   B 1 131 ? -19.712 -42.742 -9.654  1.00 33.80 ? 148 GLY   B N      1 
ATOM   3808 C CA     . GLY   B 1 131 ? -19.700 -44.096 -10.187 1.00 35.67 ? 148 GLY   B CA     1 
ATOM   3809 C C      . GLY   B 1 131 ? -20.788 -44.354 -11.206 1.00 34.65 ? 148 GLY   B C      1 
ATOM   3810 O O      . GLY   B 1 131 ? -20.664 -45.289 -12.011 1.00 37.65 ? 148 GLY   B O      1 
ATOM   3811 H H      . GLY   B 1 131 ? -19.884 -42.686 -8.813  1.00 40.56 ? 148 GLY   B H      1 
ATOM   3812 H HA2    . GLY   B 1 131 ? -18.844 -44.260 -10.612 1.00 42.80 ? 148 GLY   B HA2    1 
ATOM   3813 H HA3    . GLY   B 1 131 ? -19.816 -44.724 -9.457  1.00 42.80 ? 148 GLY   B HA3    1 
ATOM   3814 N N      . GLU   B 1 132 ? -21.850 -43.550 -11.199 1.00 32.99 ? 149 GLU   B N      1 
ATOM   3815 C CA     . GLU   B 1 132 ? -23.015 -43.794 -12.035 1.00 32.46 ? 149 GLU   B CA     1 
ATOM   3816 C C      . GLU   B 1 132 ? -23.055 -42.944 -13.297 1.00 29.44 ? 149 GLU   B C      1 
ATOM   3817 O O      . GLU   B 1 132 ? -24.050 -42.987 -14.022 1.00 28.89 ? 149 GLU   B O      1 
ATOM   3818 C CB     . GLU   B 1 132 ? -24.313 -43.657 -11.223 1.00 33.52 ? 149 GLU   B CB     1 
ATOM   3819 C CG     . GLU   B 1 132 ? -25.012 -42.307 -11.240 1.00 31.66 ? 149 GLU   B CG     1 
ATOM   3820 C CD     . GLU   B 1 132 ? -25.865 -42.092 -9.994  1.00 39.68 ? 149 GLU   B CD     1 
ATOM   3821 O OE1    . GLU   B 1 132 ? -26.346 -43.088 -9.415  1.00 44.31 ? 149 GLU   B OE1    1 
ATOM   3822 O OE2    . GLU   B 1 132 ? -26.087 -40.936 -9.601  1.00 32.16 ? 149 GLU   B OE2    1 
ATOM   3823 H H      . GLU   B 1 132 ? -21.917 -42.846 -10.709 1.00 39.59 ? 149 GLU   B H      1 
ATOM   3824 H HA     . GLU   B 1 132 ? -22.973 -44.715 -12.335 1.00 38.95 ? 149 GLU   B HA     1 
ATOM   3825 H HB2    . GLU   B 1 132 ? -24.948 -44.306 -11.565 1.00 40.23 ? 149 GLU   B HB2    1 
ATOM   3826 H HB3    . GLU   B 1 132 ? -24.105 -43.853 -10.296 1.00 40.23 ? 149 GLU   B HB3    1 
ATOM   3827 H HG2    . GLU   B 1 132 ? -24.345 -41.603 -11.277 1.00 37.99 ? 149 GLU   B HG2    1 
ATOM   3828 H HG3    . GLU   B 1 132 ? -25.591 -42.257 -12.017 1.00 37.99 ? 149 GLU   B HG3    1 
ATOM   3829 N N      . VAL   B 1 133 ? -22.003 -42.176 -13.594 1.00 27.80 ? 150 VAL   B N      1 
ATOM   3830 C CA     . VAL   B 1 133 ? -22.119 -41.203 -14.678 1.00 25.21 ? 150 VAL   B CA     1 
ATOM   3831 C C      . VAL   B 1 133 ? -22.351 -41.901 -16.018 1.00 25.39 ? 150 VAL   B C      1 
ATOM   3832 O O      . VAL   B 1 133 ? -23.100 -41.403 -16.874 1.00 25.53 ? 150 VAL   B O      1 
ATOM   3833 C CB     . VAL   B 1 133 ? -20.914 -40.235 -14.703 1.00 25.91 ? 150 VAL   B CB     1 
ATOM   3834 C CG1    . VAL   B 1 133 ? -19.676 -40.923 -15.244 1.00 31.59 ? 150 VAL   B CG1    1 
ATOM   3835 C CG2    . VAL   B 1 133 ? -21.246 -38.970 -15.509 1.00 24.68 ? 150 VAL   B CG2    1 
ATOM   3836 H H      . VAL   B 1 133 ? -21.240 -42.198 -13.197 1.00 33.36 ? 150 VAL   B H      1 
ATOM   3837 H HA     . VAL   B 1 133 ? -22.902 -40.658 -14.505 1.00 30.26 ? 150 VAL   B HA     1 
ATOM   3838 H HB     . VAL   B 1 133 ? -20.720 -39.960 -13.793 1.00 31.09 ? 150 VAL   B HB     1 
ATOM   3839 H HG11   . VAL   B 1 133 ? -18.902 -40.365 -15.069 1.00 37.91 ? 150 VAL   B HG11   1 
ATOM   3840 H HG12   . VAL   B 1 133 ? -19.573 -41.781 -14.802 1.00 37.91 ? 150 VAL   B HG12   1 
ATOM   3841 H HG13   . VAL   B 1 133 ? -19.780 -41.054 -16.199 1.00 37.91 ? 150 VAL   B HG13   1 
ATOM   3842 H HG21   . VAL   B 1 133 ? -20.475 -38.382 -15.505 1.00 29.61 ? 150 VAL   B HG21   1 
ATOM   3843 H HG22   . VAL   B 1 133 ? -21.465 -39.224 -16.419 1.00 29.61 ? 150 VAL   B HG22   1 
ATOM   3844 H HG23   . VAL   B 1 133 ? -22.004 -38.524 -15.099 1.00 29.61 ? 150 VAL   B HG23   1 
ATOM   3845 N N      . GLU   B 1 134 ? -21.722 -43.056 -16.223 1.00 27.42 ? 151 GLU   B N      1 
ATOM   3846 C CA     . GLU   B 1 134 ? -21.904 -43.755 -17.490 1.00 29.69 ? 151 GLU   B CA     1 
ATOM   3847 C C      . GLU   B 1 134 ? -23.350 -44.199 -17.661 1.00 28.58 ? 151 GLU   B C      1 
ATOM   3848 O O      . GLU   B 1 134 ? -23.925 -44.060 -18.748 1.00 30.51 ? 151 GLU   B O      1 
ATOM   3849 C CB     . GLU   B 1 134 ? -20.961 -44.954 -17.558 1.00 35.61 ? 151 GLU   B CB     1 
ATOM   3850 C CG     . GLU   B 1 134 ? -19.567 -44.611 -18.051 1.00 37.22 ? 151 GLU   B CG     1 
ATOM   3851 C CD     . GLU   B 1 134 ? -18.633 -44.199 -16.927 1.00 40.05 ? 151 GLU   B CD     1 
ATOM   3852 O OE1    . GLU   B 1 134 ? -19.032 -44.310 -15.747 1.00 37.89 ? 151 GLU   B OE1    1 
ATOM   3853 O OE2    . GLU   B 1 134 ? -17.490 -43.786 -17.220 1.00 37.10 ? 151 GLU   B OE2    1 
ATOM   3854 H H      . GLU   B 1 134 ? -21.200 -43.445 -15.661 1.00 32.90 ? 151 GLU   B H      1 
ATOM   3855 H HA     . GLU   B 1 134 ? -21.682 -43.158 -18.222 1.00 35.62 ? 151 GLU   B HA     1 
ATOM   3856 H HB2    . GLU   B 1 134 ? -20.875 -45.333 -16.669 1.00 42.74 ? 151 GLU   B HB2    1 
ATOM   3857 H HB3    . GLU   B 1 134 ? -21.336 -45.612 -18.164 1.00 42.74 ? 151 GLU   B HB3    1 
ATOM   3858 H HG2    . GLU   B 1 134 ? -19.186 -45.388 -18.489 1.00 44.67 ? 151 GLU   B HG2    1 
ATOM   3859 H HG3    . GLU   B 1 134 ? -19.626 -43.873 -18.678 1.00 44.67 ? 151 GLU   B HG3    1 
ATOM   3860 N N      . ALA   B 1 135 ? -23.953 -44.740 -16.598 1.00 30.18 ? 152 ALA   B N      1 
ATOM   3861 C CA     . ALA   B 1 135 ? -25.342 -45.178 -16.664 1.00 33.21 ? 152 ALA   B CA     1 
ATOM   3862 C C      . ALA   B 1 135 ? -26.292 -44.003 -16.868 1.00 28.94 ? 152 ALA   B C      1 
ATOM   3863 O O      . ALA   B 1 135 ? -27.277 -44.114 -17.607 1.00 29.02 ? 152 ALA   B O      1 
ATOM   3864 C CB     . ALA   B 1 135 ? -25.698 -45.933 -15.384 1.00 34.72 ? 152 ALA   B CB     1 
ATOM   3865 H H      . ALA   B 1 135 ? -23.580 -44.863 -15.833 1.00 36.22 ? 152 ALA   B H      1 
ATOM   3866 H HA     . ALA   B 1 135 ? -25.448 -45.778 -17.420 1.00 39.85 ? 152 ALA   B HA     1 
ATOM   3867 H HB1    . ALA   B 1 135 ? -26.624 -46.218 -15.433 1.00 41.66 ? 152 ALA   B HB1    1 
ATOM   3868 H HB2    . ALA   B 1 135 ? -25.117 -46.706 -15.302 1.00 41.66 ? 152 ALA   B HB2    1 
ATOM   3869 H HB3    . ALA   B 1 135 ? -25.572 -45.342 -14.625 1.00 41.66 ? 152 ALA   B HB3    1 
ATOM   3870 N N      . LEU   B 1 136 ? -26.023 -42.867 -16.214 1.00 27.24 ? 153 LEU   B N      1 
ATOM   3871 C CA     . LEU   B 1 136 ? -26.866 -41.691 -16.399 1.00 25.42 ? 153 LEU   B CA     1 
ATOM   3872 C C      . LEU   B 1 136 ? -26.841 -41.240 -17.850 1.00 23.74 ? 153 LEU   B C      1 
ATOM   3873 O O      . LEU   B 1 136 ? -27.886 -40.969 -18.450 1.00 24.27 ? 153 LEU   B O      1 
ATOM   3874 C CB     . LEU   B 1 136 ? -26.388 -40.572 -15.474 1.00 24.24 ? 153 LEU   B CB     1 
ATOM   3875 C CG     . LEU   B 1 136 ? -27.199 -39.275 -15.477 1.00 24.06 ? 153 LEU   B CG     1 
ATOM   3876 C CD1    . LEU   B 1 136 ? -27.013 -38.528 -14.168 1.00 25.86 ? 153 LEU   B CD1    1 
ATOM   3877 C CD2    . LEU   B 1 136 ? -26.825 -38.383 -16.635 1.00 24.27 ? 153 LEU   B CD2    1 
ATOM   3878 H H      . LEU   B 1 136 ? -25.368 -42.756 -15.668 1.00 32.69 ? 153 LEU   B H      1 
ATOM   3879 H HA     . LEU   B 1 136 ? -27.782 -41.908 -16.164 1.00 30.51 ? 153 LEU   B HA     1 
ATOM   3880 H HB2    . LEU   B 1 136 ? -26.400 -40.911 -14.565 1.00 29.09 ? 153 LEU   B HB2    1 
ATOM   3881 H HB3    . LEU   B 1 136 ? -25.482 -40.340 -15.730 1.00 29.09 ? 153 LEU   B HB3    1 
ATOM   3882 H HG     . LEU   B 1 136 ? -28.135 -39.509 -15.577 1.00 28.87 ? 153 LEU   B HG     1 
ATOM   3883 H HD11   . LEU   B 1 136 ? -27.562 -37.728 -14.181 1.00 31.03 ? 153 LEU   B HD11   1 
ATOM   3884 H HD12   . LEU   B 1 136 ? -27.284 -39.102 -13.436 1.00 31.03 ? 153 LEU   B HD12   1 
ATOM   3885 H HD13   . LEU   B 1 136 ? -26.079 -38.286 -14.072 1.00 31.03 ? 153 LEU   B HD13   1 
ATOM   3886 H HD21   . LEU   B 1 136 ? -27.050 -37.466 -16.413 1.00 29.12 ? 153 LEU   B HD21   1 
ATOM   3887 H HD22   . LEU   B 1 136 ? -25.871 -38.459 -16.797 1.00 29.12 ? 153 LEU   B HD22   1 
ATOM   3888 H HD23   . LEU   B 1 136 ? -27.317 -38.664 -17.422 1.00 29.12 ? 153 LEU   B HD23   1 
ATOM   3889 N N      . LEU   B 1 137 ? -25.652 -41.181 -18.444 1.00 23.04 ? 154 LEU   B N      1 
ATOM   3890 C CA     . LEU   B 1 137 ? -25.555 -40.765 -19.837 1.00 25.06 ? 154 LEU   B CA     1 
ATOM   3891 C C      . LEU   B 1 137 ? -26.233 -41.768 -20.766 1.00 25.96 ? 154 LEU   B C      1 
ATOM   3892 O O      . LEU   B 1 137 ? -26.884 -41.373 -21.742 1.00 24.65 ? 154 LEU   B O      1 
ATOM   3893 C CB     . LEU   B 1 137 ? -24.094 -40.595 -20.226 1.00 22.78 ? 154 LEU   B CB     1 
ATOM   3894 C CG     . LEU   B 1 137 ? -23.354 -39.468 -19.510 1.00 21.12 ? 154 LEU   B CG     1 
ATOM   3895 C CD1    . LEU   B 1 137 ? -21.878 -39.555 -19.774 1.00 22.91 ? 154 LEU   B CD1    1 
ATOM   3896 C CD2    . LEU   B 1 137 ? -23.882 -38.138 -19.961 1.00 21.01 ? 154 LEU   B CD2    1 
ATOM   3897 H H      . LEU   B 1 137 ? -24.902 -41.372 -18.070 1.00 27.64 ? 154 LEU   B H      1 
ATOM   3898 H HA     . LEU   B 1 137 ? -26.001 -39.910 -19.938 1.00 30.08 ? 154 LEU   B HA     1 
ATOM   3899 H HB2    . LEU   B 1 137 ? -23.627 -41.421 -20.026 1.00 27.33 ? 154 LEU   B HB2    1 
ATOM   3900 H HB3    . LEU   B 1 137 ? -24.051 -40.411 -21.177 1.00 27.33 ? 154 LEU   B HB3    1 
ATOM   3901 H HG     . LEU   B 1 137 ? -23.496 -39.551 -18.554 1.00 25.34 ? 154 LEU   B HG     1 
ATOM   3902 H HD11   . LEU   B 1 137 ? -21.431 -38.827 -19.314 1.00 27.49 ? 154 LEU   B HD11   1 
ATOM   3903 H HD12   . LEU   B 1 137 ? -21.548 -40.406 -19.445 1.00 27.49 ? 154 LEU   B HD12   1 
ATOM   3904 H HD13   . LEU   B 1 137 ? -21.723 -39.488 -20.729 1.00 27.49 ? 154 LEU   B HD13   1 
ATOM   3905 H HD21   . LEU   B 1 137 ? -23.321 -37.436 -19.597 1.00 25.21 ? 154 LEU   B HD21   1 
ATOM   3906 H HD22   . LEU   B 1 137 ? -23.867 -38.105 -20.930 1.00 25.21 ? 154 LEU   B HD22   1 
ATOM   3907 H HD23   . LEU   B 1 137 ? -24.792 -38.035 -19.641 1.00 25.21 ? 154 LEU   B HD23   1 
ATOM   3908 N N      . ASP   B 1 138 ? -26.070 -43.072 -20.506 1.00 25.68 ? 155 ASP   B N      1 
ATOM   3909 C CA     . ASP   B 1 138 ? -26.777 -44.069 -21.303 1.00 28.98 ? 155 ASP   B CA     1 
ATOM   3910 C C      . ASP   B 1 138 ? -28.281 -43.831 -21.266 1.00 28.84 ? 155 ASP   B C      1 
ATOM   3911 O O      . ASP   B 1 138 ? -28.971 -43.955 -22.286 1.00 31.59 ? 155 ASP   B O      1 
ATOM   3912 C CB     . ASP   B 1 138 ? -26.477 -45.490 -20.813 1.00 33.32 ? 155 ASP   B CB     1 
ATOM   3913 C CG     . ASP   B 1 138 ? -25.072 -45.961 -21.161 1.00 31.98 ? 155 ASP   B CG     1 
ATOM   3914 O OD1    . ASP   B 1 138 ? -24.426 -45.328 -22.021 1.00 35.03 ? 155 ASP   B OD1    1 
ATOM   3915 O OD2    . ASP   B 1 138 ? -24.662 -47.051 -20.674 1.00 36.38 ? 155 ASP   B OD2    1 
ATOM   3916 H H      . ASP   B 1 138 ? -25.566 -43.394 -19.887 1.00 30.81 ? 155 ASP   B H      1 
ATOM   3917 H HA     . ASP   B 1 138 ? -26.459 -43.995 -22.217 1.00 34.77 ? 155 ASP   B HA     1 
ATOM   3918 H HB2    . ASP   B 1 138 ? -26.569 -45.515 -19.848 1.00 39.98 ? 155 ASP   B HB2    1 
ATOM   3919 H HB3    . ASP   B 1 138 ? -27.107 -46.103 -21.223 1.00 39.98 ? 155 ASP   B HB3    1 
ATOM   3920 N N      . ARG   B 1 139 ? -28.811 -43.519 -20.079 1.00 27.45 ? 156 ARG   B N      1 
ATOM   3921 C CA     . ARG   B 1 139 ? -30.237 -43.266 -19.928 1.00 29.31 ? 156 ARG   B CA     1 
ATOM   3922 C C      . ARG   B 1 139 ? -30.646 -42.037 -20.719 1.00 26.67 ? 156 ARG   B C      1 
ATOM   3923 O O      . ARG   B 1 139 ? -31.609 -42.070 -21.494 1.00 28.28 ? 156 ARG   B O      1 
ATOM   3924 C CB     . ARG   B 1 139 ? -30.544 -43.083 -18.441 1.00 31.07 ? 156 ARG   B CB     1 
ATOM   3925 C CG     . ARG   B 1 139 ? -31.959 -43.409 -18.001 1.00 45.03 ? 156 ARG   B CG     1 
ATOM   3926 C CD     . ARG   B 1 139 ? -32.672 -42.147 -17.556 1.00 42.61 ? 156 ARG   B CD     1 
ATOM   3927 N NE     . ARG   B 1 139 ? -31.882 -41.420 -16.565 1.00 51.35 ? 156 ARG   B NE     1 
ATOM   3928 C CZ     . ARG   B 1 139 ? -31.861 -40.099 -16.437 1.00 39.44 ? 156 ARG   B CZ     1 
ATOM   3929 N NH1    . ARG   B 1 139 ? -32.584 -39.317 -17.222 1.00 46.23 ? 156 ARG   B NH1    1 
ATOM   3930 N NH2    . ARG   B 1 139 ? -31.078 -39.546 -15.513 1.00 30.94 ? 156 ARG   B NH2    1 
ATOM   3931 H H      . ARG   B 1 139 ? -28.363 -43.450 -19.348 1.00 32.94 ? 156 ARG   B H      1 
ATOM   3932 H HA     . ARG   B 1 139 ? -30.749 -44.018 -20.263 1.00 35.17 ? 156 ARG   B HA     1 
ATOM   3933 H HB2    . ARG   B 1 139 ? -29.949 -43.660 -17.937 1.00 37.28 ? 156 ARG   B HB2    1 
ATOM   3934 H HB3    . ARG   B 1 139 ? -30.380 -42.155 -18.210 1.00 37.28 ? 156 ARG   B HB3    1 
ATOM   3935 H HG2    . ARG   B 1 139 ? -32.449 -43.797 -18.743 1.00 54.03 ? 156 ARG   B HG2    1 
ATOM   3936 H HG3    . ARG   B 1 139 ? -31.935 -44.031 -17.257 1.00 54.03 ? 156 ARG   B HG3    1 
ATOM   3937 H HD2    . ARG   B 1 139 ? -32.813 -41.568 -18.321 1.00 51.14 ? 156 ARG   B HD2    1 
ATOM   3938 H HD3    . ARG   B 1 139 ? -33.524 -42.382 -17.156 1.00 51.14 ? 156 ARG   B HD3    1 
ATOM   3939 H HE     . ARG   B 1 139 ? -31.395 -41.880 -16.026 1.00 61.62 ? 156 ARG   B HE     1 
ATOM   3940 H HH11   . ARG   B 1 139 ? -33.082 -39.662 -17.832 1.00 55.47 ? 156 ARG   B HH11   1 
ATOM   3941 H HH12   . ARG   B 1 139 ? -32.556 -38.463 -17.121 1.00 55.47 ? 156 ARG   B HH12   1 
ATOM   3942 H HH21   . ARG   B 1 139 ? -30.593 -40.044 -15.007 1.00 37.13 ? 156 ARG   B HH21   1 
ATOM   3943 H HH22   . ARG   B 1 139 ? -31.058 -38.691 -15.422 1.00 37.13 ? 156 ARG   B HH22   1 
ATOM   3944 N N      . TYR   B 1 140 ? -29.894 -40.947 -20.562 1.00 24.49 ? 157 TYR   B N      1 
ATOM   3945 C CA     . TYR   B 1 140 ? -30.249 -39.693 -21.217 1.00 25.03 ? 157 TYR   B CA     1 
ATOM   3946 C C      . TYR   B 1 140 ? -30.204 -39.842 -22.729 1.00 23.98 ? 157 TYR   B C      1 
ATOM   3947 O O      . TYR   B 1 140 ? -31.079 -39.345 -23.444 1.00 27.20 ? 157 TYR   B O      1 
ATOM   3948 C CB     . TYR   B 1 140 ? -29.300 -38.581 -20.782 1.00 21.95 ? 157 TYR   B CB     1 
ATOM   3949 C CG     . TYR   B 1 140 ? -29.624 -37.244 -21.412 1.00 20.95 ? 157 TYR   B CG     1 
ATOM   3950 C CD1    . TYR   B 1 140 ? -29.095 -36.876 -22.639 1.00 22.66 ? 157 TYR   B CD1    1 
ATOM   3951 C CD2    . TYR   B 1 140 ? -30.469 -36.343 -20.777 1.00 21.66 ? 157 TYR   B CD2    1 
ATOM   3952 C CE1    . TYR   B 1 140 ? -29.389 -35.625 -23.210 1.00 21.42 ? 157 TYR   B CE1    1 
ATOM   3953 C CE2    . TYR   B 1 140 ? -30.784 -35.115 -21.348 1.00 20.21 ? 157 TYR   B CE2    1 
ATOM   3954 C CZ     . TYR   B 1 140 ? -30.237 -34.768 -22.560 1.00 22.16 ? 157 TYR   B CZ     1 
ATOM   3955 O OH     . TYR   B 1 140 ? -30.531 -33.543 -23.133 1.00 22.93 ? 157 TYR   B OH     1 
ATOM   3956 H H      . TYR   B 1 140 ? -29.179 -40.909 -20.085 1.00 29.39 ? 157 TYR   B H      1 
ATOM   3957 H HA     . TYR   B 1 140 ? -31.149 -39.449 -20.950 1.00 30.03 ? 157 TYR   B HA     1 
ATOM   3958 H HB2    . TYR   B 1 140 ? -29.356 -38.479 -19.819 1.00 26.34 ? 157 TYR   B HB2    1 
ATOM   3959 H HB3    . TYR   B 1 140 ? -28.396 -38.820 -21.039 1.00 26.34 ? 157 TYR   B HB3    1 
ATOM   3960 H HD1    . TYR   B 1 140 ? -28.537 -37.466 -23.092 1.00 27.19 ? 157 TYR   B HD1    1 
ATOM   3961 H HD2    . TYR   B 1 140 ? -30.833 -36.567 -19.951 1.00 26.00 ? 157 TYR   B HD2    1 
ATOM   3962 H HE1    . TYR   B 1 140 ? -29.010 -35.382 -24.024 1.00 25.70 ? 157 TYR   B HE1    1 
ATOM   3963 H HE2    . TYR   B 1 140 ? -31.362 -34.532 -20.912 1.00 24.25 ? 157 TYR   B HE2    1 
ATOM   3964 H HH     . TYR   B 1 140 ? -31.091 -33.132 -22.661 1.00 27.52 ? 157 TYR   B HH     1 
ATOM   3965 N N      . PHE   B 1 141 ? -29.174 -40.507 -23.240 1.00 26.20 ? 158 PHE   B N      1 
ATOM   3966 C CA     . PHE   B 1 141 ? -29.041 -40.729 -24.668 1.00 29.29 ? 158 PHE   B CA     1 
ATOM   3967 C C      . PHE   B 1 141 ? -29.778 -41.987 -25.099 1.00 36.75 ? 158 PHE   B C      1 
ATOM   3968 O O      . PHE   B 1 141 ? -29.554 -42.474 -26.209 1.00 38.79 ? 158 PHE   B O      1 
ATOM   3969 C CB     . PHE   B 1 141 ? -27.564 -40.674 -25.056 1.00 31.34 ? 158 PHE   B CB     1 
ATOM   3970 C CG     . PHE   B 1 141 ? -26.975 -39.274 -24.961 1.00 28.48 ? 158 PHE   B CG     1 
ATOM   3971 C CD1    . PHE   B 1 141 ? -27.219 -38.331 -25.950 1.00 29.29 ? 158 PHE   B CD1    1 
ATOM   3972 C CD2    . PHE   B 1 141 ? -26.229 -38.891 -23.859 1.00 27.68 ? 158 PHE   B CD2    1 
ATOM   3973 C CE1    . PHE   B 1 141 ? -26.693 -37.050 -25.860 1.00 28.91 ? 158 PHE   B CE1    1 
ATOM   3974 C CE2    . PHE   B 1 141 ? -25.712 -37.609 -23.769 1.00 28.59 ? 158 PHE   B CE2    1 
ATOM   3975 C CZ     . PHE   B 1 141 ? -25.953 -36.691 -24.769 1.00 29.42 ? 158 PHE   B CZ     1 
ATOM   3976 H H      . PHE   B 1 141 ? -28.535 -40.842 -22.772 1.00 31.44 ? 158 PHE   B H      1 
ATOM   3977 H HA     . PHE   B 1 141 ? -29.446 -40.014 -25.184 1.00 35.15 ? 158 PHE   B HA     1 
ATOM   3978 H HB2    . PHE   B 1 141 ? -27.060 -41.251 -24.460 1.00 37.60 ? 158 PHE   B HB2    1 
ATOM   3979 H HB3    . PHE   B 1 141 ? -27.467 -40.977 -25.972 1.00 37.60 ? 158 PHE   B HB3    1 
ATOM   3980 H HD1    . PHE   B 1 141 ? -27.742 -38.561 -26.684 1.00 35.14 ? 158 PHE   B HD1    1 
ATOM   3981 H HD2    . PHE   B 1 141 ? -26.072 -39.500 -23.174 1.00 33.21 ? 158 PHE   B HD2    1 
ATOM   3982 H HE1    . PHE   B 1 141 ? -26.844 -36.436 -26.542 1.00 34.69 ? 158 PHE   B HE1    1 
ATOM   3983 H HE2    . PHE   B 1 141 ? -25.201 -37.367 -23.031 1.00 34.31 ? 158 PHE   B HE2    1 
ATOM   3984 H HZ     . PHE   B 1 141 ? -25.612 -35.829 -24.701 1.00 35.30 ? 158 PHE   B HZ     1 
ATOM   3985 N N      . GLU   B 1 142 ? -30.675 -42.490 -24.239 1.00 33.53 ? 159 GLU   B N      1 
ATOM   3986 C CA     . GLU   B 1 142 ? -31.628 -43.562 -24.530 1.00 43.28 ? 159 GLU   B CA     1 
ATOM   3987 C C      . GLU   B 1 142 ? -30.909 -44.753 -25.138 1.00 38.85 ? 159 GLU   B C      1 
ATOM   3988 O O      . GLU   B 1 142 ? -31.381 -45.334 -26.116 1.00 44.56 ? 159 GLU   B O      1 
ATOM   3989 C CB     . GLU   B 1 142 ? -32.737 -43.059 -25.462 1.00 40.47 ? 159 GLU   B CB     1 
ATOM   3990 C CG     . GLU   B 1 142 ? -33.575 -41.863 -24.935 1.00 42.85 ? 159 GLU   B CG     1 
ATOM   3991 C CD     . GLU   B 1 142 ? -34.472 -42.188 -23.746 1.00 50.69 ? 159 GLU   B CD     1 
ATOM   3992 O OE1    . GLU   B 1 142 ? -35.020 -43.311 -23.689 1.00 58.46 ? 159 GLU   B OE1    1 
ATOM   3993 O OE2    . GLU   B 1 142 ? -34.660 -41.295 -22.887 1.00 50.09 ? 159 GLU   B OE2    1 
ATOM   3994 H H      . GLU   B 1 142 ? -30.754 -42.207 -23.430 1.00 40.23 ? 159 GLU   B H      1 
ATOM   3995 H HA     . GLU   B 1 142 ? -32.054 -43.854 -23.709 1.00 51.94 ? 159 GLU   B HA     1 
ATOM   3996 H HB2    . GLU   B 1 142 ? -32.329 -42.778 -26.296 1.00 48.56 ? 159 GLU   B HB2    1 
ATOM   3997 H HB3    . GLU   B 1 142 ? -33.353 -43.791 -25.624 1.00 48.56 ? 159 GLU   B HB3    1 
ATOM   3998 H HG2    . GLU   B 1 142 ? -32.968 -41.159 -24.659 1.00 51.42 ? 159 GLU   B HG2    1 
ATOM   3999 H HG3    . GLU   B 1 142 ? -34.146 -41.546 -25.653 1.00 51.42 ? 159 GLU   B HG3    1 
HETATM 4000 C "C3'"  . A1BBC C 2 .   ? -24.140 -13.214 -9.245  1.00 11.76 ? 201 A1BBC A "C3'"  1 
HETATM 4001 C "C4'"  . A1BBC C 2 .   ? -24.006 -14.612 -9.749  1.00 10.93 ? 201 A1BBC A "C4'"  1 
HETATM 4002 C "C5'"  . A1BBC C 2 .   ? -23.282 -15.505 -8.784  1.00 11.14 ? 201 A1BBC A "C5'"  1 
HETATM 4003 C "C1'"  . A1BBC C 2 .   ? -26.367 -14.243 -9.459  1.00 11.87 ? 201 A1BBC A "C1'"  1 
HETATM 4004 C C2     . A1BBC C 2 .   ? -28.097 -14.156 -7.591  1.00 15.41 ? 201 A1BBC A C2     1 
HETATM 4005 C C4     . A1BBC C 2 .   ? -28.055 -15.757 -5.953  1.00 15.25 ? 201 A1BBC A C4     1 
HETATM 4006 C C5     . A1BBC C 2 .   ? -27.004 -16.546 -6.654  1.00 12.46 ? 201 A1BBC A C5     1 
HETATM 4007 C C7     . A1BBC C 2 .   ? -26.532 -17.841 -5.958  1.00 12.17 ? 201 A1BBC A C7     1 
HETATM 4008 C C6     . A1BBC C 2 .   ? -26.508 -16.138 -7.624  1.00 11.61 ? 201 A1BBC A C6     1 
HETATM 4009 C "C2'"  . A1BBC C 2 .   ? -25.585 -13.024 -9.056  1.00 12.12 ? 201 A1BBC A "C2'"  1 
HETATM 4010 F F01    . A1BBC C 2 .   ? -25.765 -12.790 -7.676  1.00 17.10 ? 201 A1BBC A F01    1 
HETATM 4011 N N1     . A1BBC C 2 .   ? -26.921 -14.898 -8.359  1.00 12.84 ? 201 A1BBC A N1     1 
HETATM 4012 N N3     . A1BBC C 2 .   ? -28.550 -14.723 -6.304  1.00 16.55 ? 201 A1BBC A N3     1 
HETATM 4013 O "O3'"  . A1BBC C 2 .   ? -23.553 -12.228 -10.109 1.00 11.98 ? 201 A1BBC A "O3'"  1 
HETATM 4014 O "O5'"  . A1BBC C 2 .   ? -23.236 -16.829 -9.294  1.00 10.54 ? 201 A1BBC A "O5'"  1 
HETATM 4015 O OP1    . A1BBC C 2 .   ? -23.564 -18.085 -7.120  1.00 10.51 ? 201 A1BBC A OP1    1 
HETATM 4016 O OP3    . A1BBC C 2 .   ? -22.706 -19.195 -9.233  1.00 9.83  ? 201 A1BBC A OP3    1 
HETATM 4017 O OP2    . A1BBC C 2 .   ? -21.267 -17.624 -7.924  1.00 9.58  ? 201 A1BBC A OP2    1 
HETATM 4018 O "O4'"  . A1BBC C 2 .   ? -25.374 -15.120 -10.005 1.00 11.10 ? 201 A1BBC A "O4'"  1 
HETATM 4019 O O07    . A1BBC C 2 .   ? -26.036 -18.752 -6.895  1.00 11.65 ? 201 A1BBC A O07    1 
HETATM 4020 O O4     . A1BBC C 2 .   ? -28.518 -16.147 -4.905  1.00 19.03 ? 201 A1BBC A O4     1 
HETATM 4021 O O2     . A1BBC C 2 .   ? -28.466 -13.146 -8.107  1.00 16.05 ? 201 A1BBC A O2     1 
HETATM 4022 P P      . A1BBC C 2 .   ? -22.665 -18.014 -8.334  1.00 9.58  ? 201 A1BBC A P      1 
HETATM 4023 H "H3'"  . A1BBC C 2 .   ? -23.659 -13.106 -8.410  1.00 14.11 ? 201 A1BBC A "H3'"  1 
HETATM 4024 H "H4'"  . A1BBC C 2 .   ? -23.484 -14.600 -10.567 1.00 13.12 ? 201 A1BBC A "H4'"  1 
HETATM 4025 H "H5'"  . A1BBC C 2 .   ? -23.747 -15.504 -7.933  1.00 13.36 ? 201 A1BBC A "H5'"  1 
HETATM 4026 H "H5''" . A1BBC C 2 .   ? -22.378 -15.177 -8.658  1.00 13.36 ? 201 A1BBC A "H5''" 1 
HETATM 4027 H "H1'"  . A1BBC C 2 .   ? -27.079 -13.996 -10.070 1.00 14.24 ? 201 A1BBC A "H1'"  1 
HETATM 4028 H H71    . A1BBC C 2 .   ? -25.831 -17.624 -5.323  1.00 14.61 ? 201 A1BBC A H71    1 
HETATM 4029 H H72    . A1BBC C 2 .   ? -27.280 -18.242 -5.489  1.00 14.61 ? 201 A1BBC A H72    1 
HETATM 4030 H H6     . A1BBC C 2 .   ? -25.794 -16.622 -7.974  1.00 13.93 ? 201 A1BBC A H6     1 
HETATM 4031 H "H2'"  . A1BBC C 2 .   ? -25.898 -12.301 -9.622  1.00 14.54 ? 201 A1BBC A "H2'"  1 
HETATM 4032 H H3     . A1BBC C 2 .   ? -29.146 -14.328 -5.827  1.00 19.86 ? 201 A1BBC A H3     1 
HETATM 4033 H "HO3'" . A1BBC C 2 .   ? -24.110 -11.981 -10.701 1.00 14.38 ? 201 A1BBC A "HO3'" 1 
HETATM 4034 H HO7    . A1BBC C 2 .   ? -25.205 -18.867 -6.747  1.00 13.99 ? 201 A1BBC A HO7    1 
HETATM 4035 C C1     . EDO   D 3 .   ? -5.499  -8.982  -5.969  1.00 26.45 ? 202 EDO   A C1     1 
HETATM 4036 O O1     . EDO   D 3 .   ? -6.331  -8.086  -5.276  1.00 27.66 ? 202 EDO   A O1     1 
HETATM 4037 C C2     . EDO   D 3 .   ? -5.908  -10.379 -5.543  1.00 29.71 ? 202 EDO   A C2     1 
HETATM 4038 O O2     . EDO   D 3 .   ? -6.694  -10.225 -4.363  1.00 34.61 ? 202 EDO   A O2     1 
HETATM 4039 H H11    . EDO   D 3 .   ? -4.451  -8.799  -5.726  1.00 31.74 ? 202 EDO   A H11    1 
HETATM 4040 H H12    . EDO   D 3 .   ? -5.619  -8.860  -7.048  1.00 31.74 ? 202 EDO   A H12    1 
HETATM 4041 H HO1    . EDO   D 3 .   ? -6.115  -7.179  -5.535  1.00 33.19 ? 202 EDO   A HO1    1 
HETATM 4042 H H21    . EDO   D 3 .   ? -5.028  -10.994 -5.342  1.00 35.65 ? 202 EDO   A H21    1 
HETATM 4043 H H22    . EDO   D 3 .   ? -6.486  -10.868 -6.330  1.00 35.65 ? 202 EDO   A H22    1 
HETATM 4044 H HO2    . EDO   D 3 .   ? -6.967  -11.095 -4.042  1.00 41.54 ? 202 EDO   A HO2    1 
HETATM 4045 C C1     . EDO   E 3 .   ? -12.819 8.562   -4.964  1.00 38.70 ? 203 EDO   A C1     1 
HETATM 4046 O O1     . EDO   E 3 .   ? -12.866 8.342   -3.552  1.00 37.19 ? 203 EDO   A O1     1 
HETATM 4047 C C2     . EDO   E 3 .   ? -13.834 9.616   -5.386  1.00 36.26 ? 203 EDO   A C2     1 
HETATM 4048 O O2     . EDO   E 3 .   ? -14.109 10.498  -4.292  1.00 38.45 ? 203 EDO   A O2     1 
HETATM 4049 H H11    . EDO   E 3 .   ? -13.027 7.626   -5.486  1.00 46.44 ? 203 EDO   A H11    1 
HETATM 4050 H H12    . EDO   E 3 .   ? -11.816 8.889   -5.248  1.00 46.44 ? 203 EDO   A H12    1 
HETATM 4051 H HO1    . EDO   E 3 .   ? -12.224 7.660   -3.310  1.00 44.63 ? 203 EDO   A HO1    1 
HETATM 4052 H H21    . EDO   E 3 .   ? -14.757 9.130   -5.709  1.00 43.51 ? 203 EDO   A H21    1 
HETATM 4053 H H22    . EDO   E 3 .   ? -13.443 10.188  -6.231  1.00 43.51 ? 203 EDO   A H22    1 
HETATM 4054 H HO2    . EDO   E 3 .   ? -14.764 11.155  -4.564  1.00 46.14 ? 203 EDO   A HO2    1 
HETATM 4055 C C1     . EDO   F 3 .   ? 0.807   -10.291 -5.524  1.00 46.88 ? 204 EDO   A C1     1 
HETATM 4056 O O1     . EDO   F 3 .   ? 0.973   -9.975  -6.910  1.00 47.74 ? 204 EDO   A O1     1 
HETATM 4057 C C2     . EDO   F 3 .   ? 1.010   -11.791 -5.333  1.00 58.77 ? 204 EDO   A C2     1 
HETATM 4058 O O2     . EDO   F 3 .   ? -0.256  -12.464 -5.348  1.00 46.90 ? 204 EDO   A O2     1 
HETATM 4059 H H11    . EDO   F 3 .   ? -0.192  -10.004 -5.191  1.00 56.25 ? 204 EDO   A H11    1 
HETATM 4060 H H12    . EDO   F 3 .   ? 1.533   -9.737  -4.925  1.00 56.25 ? 204 EDO   A H12    1 
HETATM 4061 H HO1    . EDO   F 3 .   ? 0.862   -9.023  -7.038  1.00 57.29 ? 204 EDO   A HO1    1 
HETATM 4062 H H21    . EDO   F 3 .   ? 1.514   -11.976 -4.383  1.00 70.52 ? 204 EDO   A H21    1 
HETATM 4063 H H22    . EDO   F 3 .   ? 1.644   -12.181 -6.132  1.00 70.52 ? 204 EDO   A H22    1 
HETATM 4064 H HO2    . EDO   F 3 .   ? -0.115  -13.417 -5.272  1.00 56.28 ? 204 EDO   A HO2    1 
HETATM 4065 C "C3'"  . A1BBC G 2 .   ? -14.536 -25.317 -21.168 1.00 14.12 ? 201 A1BBC B "C3'"  1 
HETATM 4066 C "C4'"  . A1BBC G 2 .   ? -14.594 -23.948 -20.559 1.00 13.60 ? 201 A1BBC B "C4'"  1 
HETATM 4067 C "C5'"  . A1BBC G 2 .   ? -13.619 -23.796 -19.438 1.00 12.71 ? 201 A1BBC B "C5'"  1 
HETATM 4068 C "C1'"  . A1BBC G 2 .   ? -13.767 -23.640 -22.804 1.00 13.95 ? 201 A1BBC B "C1'"  1 
HETATM 4069 C C2     . A1BBC G 2 .   ? -11.604 -23.899 -24.201 1.00 17.86 ? 201 A1BBC B C2     1 
HETATM 4070 C C4     . A1BBC G 2 .   ? -9.640  -23.148 -23.329 1.00 17.19 ? 201 A1BBC B C4     1 
HETATM 4071 C C5     . A1BBC G 2 .   ? -10.330 -22.603 -22.115 1.00 15.90 ? 201 A1BBC B C5     1 
HETATM 4072 C C7     . A1BBC G 2 .   ? -9.480  -21.889 -21.042 1.00 16.49 ? 201 A1BBC B C7     1 
HETATM 4073 C C6     . A1BBC G 2 .   ? -11.447 -22.686 -21.934 1.00 15.48 ? 201 A1BBC B C6     1 
HETATM 4074 C "C2'"  . A1BBC G 2 .   ? -14.003 -25.101 -22.543 1.00 15.32 ? 201 A1BBC B "C2'"  1 
HETATM 4075 F F01    . A1BBC G 2 .   ? -12.794 -25.854 -22.606 1.00 18.50 ? 201 A1BBC B F01    1 
HETATM 4076 N N1     . A1BBC G 2 .   ? -12.400 -23.350 -22.891 1.00 15.08 ? 201 A1BBC B N1     1 
HETATM 4077 N N3     . A1BBC G 2 .   ? -10.122 -23.717 -24.262 1.00 18.66 ? 201 A1BBC B N3     1 
HETATM 4078 O "O3'"  . A1BBC G 2 .   ? -15.799 -26.011 -21.138 1.00 14.69 ? 201 A1BBC B "O3'"  1 
HETATM 4079 O "O5'"  . A1BBC G 2 .   ? -13.674 -22.485 -18.938 1.00 12.35 ? 201 A1BBC B "O5'"  1 
HETATM 4080 O OP1    . A1BBC G 2 .   ? -12.762 -22.905 -16.645 1.00 12.11 ? 201 A1BBC B OP1    1 
HETATM 4081 O OP3    . A1BBC G 2 .   ? -13.085 -20.642 -17.450 1.00 12.44 ? 201 A1BBC B OP3    1 
HETATM 4082 O OP2    . A1BBC G 2 .   ? -11.243 -22.116 -18.370 1.00 12.14 ? 201 A1BBC B OP2    1 
HETATM 4083 O "O4'"  . A1BBC G 2 .   ? -14.277 -22.974 -21.622 1.00 14.08 ? 201 A1BBC B "O4'"  1 
HETATM 4084 O O07    . A1BBC G 2 .   ? -10.181 -20.874 -20.366 1.00 15.15 ? 201 A1BBC B O07    1 
HETATM 4085 O O4     . A1BBC G 2 .   ? -8.436  -23.042 -23.427 1.00 21.24 ? 201 A1BBC B O4     1 
HETATM 4086 O O2     . A1BBC G 2 .   ? -12.280 -24.407 -25.017 1.00 18.58 ? 201 A1BBC B O2     1 
HETATM 4087 P P      . A1BBC G 2 .   ? -12.632 -22.009 -17.793 1.00 11.50 ? 201 A1BBC B P      1 
HETATM 4088 H "H3'"  . A1BBC G 2 .   ? -13.946 -25.896 -20.661 1.00 16.95 ? 201 A1BBC B "H3'"  1 
HETATM 4089 H "H4'"  . A1BBC G 2 .   ? -15.486 -23.801 -20.207 1.00 16.32 ? 201 A1BBC B "H4'"  1 
HETATM 4090 H "H5'"  . A1BBC G 2 .   ? -12.723 -23.980 -19.762 1.00 15.25 ? 201 A1BBC B "H5'"  1 
HETATM 4091 H "H5''" . A1BBC G 2 .   ? -13.841 -24.421 -18.730 1.00 15.25 ? 201 A1BBC B "H5''" 1 
HETATM 4092 H "H1'"  . A1BBC G 2 .   ? -14.203 -23.373 -23.628 1.00 16.74 ? 201 A1BBC B "H1'"  1 
HETATM 4093 H H71    . A1BBC G 2 .   ? -8.706  -21.495 -21.474 1.00 19.79 ? 201 A1BBC B H71    1 
HETATM 4094 H H72    . A1BBC G 2 .   ? -9.187  -22.547 -20.392 1.00 19.79 ? 201 A1BBC B H72    1 
HETATM 4095 H H6     . A1BBC G 2 .   ? -11.793 -22.324 -21.151 1.00 18.58 ? 201 A1BBC B H6     1 
HETATM 4096 H "H2'"  . A1BBC G 2 .   ? -14.643 -25.376 -23.218 1.00 18.39 ? 201 A1BBC B "H2'"  1 
HETATM 4097 H H3     . A1BBC G 2 .   ? -9.650  -24.001 -24.923 1.00 22.39 ? 201 A1BBC B H3     1 
HETATM 4098 H "HO3'" . A1BBC G 2 .   ? -16.244 -25.810 -21.832 1.00 17.63 ? 201 A1BBC B "HO3'" 1 
HETATM 4099 H HO7    . A1BBC G 2 .   ? -10.077 -20.965 -19.528 1.00 18.19 ? 201 A1BBC B HO7    1 
HETATM 4100 C C1     . EDO   H 3 .   ? -17.965 -24.815 -0.299  1.00 37.69 ? 202 EDO   B C1     1 
HETATM 4101 O O1     . EDO   H 3 .   ? -17.485 -24.436 0.991   1.00 37.63 ? 202 EDO   B O1     1 
HETATM 4102 C C2     . EDO   H 3 .   ? -19.060 -25.882 -0.162  1.00 31.04 ? 202 EDO   B C2     1 
HETATM 4103 O O2     . EDO   H 3 .   ? -20.347 -25.437 0.306   1.00 21.25 ? 202 EDO   B O2     1 
HETATM 4104 H H11    . EDO   H 3 .   ? -17.141 -25.208 -0.898  1.00 45.22 ? 202 EDO   B H11    1 
HETATM 4105 H H12    . EDO   H 3 .   ? -18.367 -23.939 -0.814  1.00 45.22 ? 202 EDO   B H12    1 
HETATM 4106 H HO1    . EDO   H 3 .   ? -16.758 -23.806 0.892   1.00 45.15 ? 202 EDO   B HO1    1 
HETATM 4107 H H21    . EDO   H 3 .   ? -18.698 -26.649 0.526   1.00 37.25 ? 202 EDO   B H21    1 
HETATM 4108 H H22    . EDO   H 3 .   ? -19.200 -26.347 -1.140  1.00 37.25 ? 202 EDO   B H22    1 
HETATM 4109 H HO2    . EDO   H 3 .   ? -20.951 -26.191 0.353   1.00 25.50 ? 202 EDO   B HO2    1 
HETATM 4110 C C1     . EDO   I 3 .   ? -8.553  -34.221 -21.712 1.00 41.26 ? 203 EDO   B C1     1 
HETATM 4111 O O1     . EDO   I 3 .   ? -7.999  -34.487 -20.461 1.00 38.23 ? 203 EDO   B O1     1 
HETATM 4112 C C2     . EDO   I 3 .   ? -8.833  -32.792 -21.891 1.00 40.06 ? 203 EDO   B C2     1 
HETATM 4113 O O2     . EDO   I 3 .   ? -8.239  -32.279 -23.052 1.00 47.01 ? 203 EDO   B O2     1 
HETATM 4114 H H11    . EDO   I 3 .   ? -9.383  -34.729 -21.811 1.00 49.51 ? 203 EDO   B H11    1 
HETATM 4115 H H12    . EDO   I 3 .   ? -7.929  -34.513 -22.408 1.00 49.51 ? 203 EDO   B H12    1 
HETATM 4116 H HO1    . EDO   I 3 .   ? -8.370  -33.998 -19.881 1.00 45.87 ? 203 EDO   B HO1    1 
HETATM 4117 H H21    . EDO   I 3 .   ? -8.493  -32.299 -21.114 1.00 48.07 ? 203 EDO   B H21    1 
HETATM 4118 H H22    . EDO   I 3 .   ? -9.802  -32.659 -21.935 1.00 48.07 ? 203 EDO   B H22    1 
HETATM 4119 H HO2    . EDO   I 3 .   ? -8.678  -31.604 -23.317 1.00 56.41 ? 203 EDO   B HO2    1 
HETATM 4120 C C1     . EDO   J 3 .   ? -11.268 -31.097 -25.425 1.00 48.89 ? 204 EDO   B C1     1 
HETATM 4121 O O1     . EDO   J 3 .   ? -10.788 -31.730 -24.234 1.00 42.99 ? 204 EDO   B O1     1 
HETATM 4122 C C2     . EDO   J 3 .   ? -11.599 -29.630 -25.161 1.00 47.28 ? 204 EDO   B C2     1 
HETATM 4123 O O2     . EDO   J 3 .   ? -10.444 -28.942 -24.667 1.00 48.93 ? 204 EDO   B O2     1 
HETATM 4124 H H11    . EDO   J 3 .   ? -12.162 -31.615 -25.779 1.00 58.66 ? 204 EDO   B H11    1 
HETATM 4125 H H12    . EDO   J 3 .   ? -10.509 -31.165 -26.206 1.00 58.66 ? 204 EDO   B H12    1 
HETATM 4126 H HO1    . EDO   J 3 .   ? -10.617 -32.665 -24.413 1.00 51.59 ? 204 EDO   B HO1    1 
HETATM 4127 H H21    . EDO   J 3 .   ? -12.408 -29.562 -24.430 1.00 56.74 ? 204 EDO   B H21    1 
HETATM 4128 H H22    . EDO   J 3 .   ? -11.941 -29.158 -26.084 1.00 56.74 ? 204 EDO   B H22    1 
HETATM 4129 H HO2    . EDO   J 3 .   ? -10.663 -28.012 -24.514 1.00 58.72 ? 204 EDO   B HO2    1 
HETATM 4130 C C1     A EDO   K 3 .   ? -7.985  -8.598  -29.543 0.58 34.42 ? 205 EDO   B C1     1 
HETATM 4131 C C1     B EDO   K 3 .   ? -8.401  -9.976  -31.635 0.42 34.23 ? 205 EDO   B C1     1 
HETATM 4132 O O1     A EDO   K 3 .   ? -7.060  -9.571  -30.044 0.58 38.77 ? 205 EDO   B O1     1 
HETATM 4133 O O1     B EDO   K 3 .   ? -9.211  -8.911  -31.120 0.42 37.47 ? 205 EDO   B O1     1 
HETATM 4134 C C2     A EDO   K 3 .   ? -9.361  -8.813  -30.162 0.58 34.47 ? 205 EDO   B C2     1 
HETATM 4135 C C2     B EDO   K 3 .   ? -6.947  -9.820  -31.193 0.42 34.02 ? 205 EDO   B C2     1 
HETATM 4136 O O2     A EDO   K 3 .   ? -9.223  -9.315  -31.500 0.58 36.44 ? 205 EDO   B O2     1 
HETATM 4137 O O2     B EDO   K 3 .   ? -6.891  -9.494  -29.799 0.42 38.37 ? 205 EDO   B O2     1 
HETATM 4138 H H11    A EDO   K 3 .   ? -7.627  -7.594  -29.780 0.58 41.30 ? 205 EDO   B H11    1 
HETATM 4139 H H11    B EDO   K 3 .   ? -8.452  -9.979  -32.725 0.42 41.08 ? 205 EDO   B H11    1 
HETATM 4140 H H12    A EDO   K 3 .   ? -8.053  -8.682  -28.456 0.58 41.30 ? 205 EDO   B H12    1 
HETATM 4141 H H12    B EDO   K 3 .   ? -8.789  -10.933 -31.278 0.42 41.08 ? 205 EDO   B H12    1 
HETATM 4142 H HO1    A EDO   K 3 .   ? -6.189  -9.421  -29.652 0.58 46.52 ? 205 EDO   B HO1    1 
HETATM 4143 H HO1    B EDO   K 3 .   ? -10.123 -9.025  -31.420 0.42 44.97 ? 205 EDO   B HO1    1 
HETATM 4144 H H21    A EDO   K 3 .   ? -9.910  -7.869  -30.178 0.58 41.37 ? 205 EDO   B H21    1 
HETATM 4145 H H21    B EDO   K 3 .   ? -6.468  -9.032  -31.776 0.42 40.82 ? 205 EDO   B H21    1 
HETATM 4146 H H22    A EDO   K 3 .   ? -9.931  -9.522  -29.559 0.58 41.37 ? 205 EDO   B H22    1 
HETATM 4147 H H22    B EDO   K 3 .   ? -6.405  -10.750 -31.376 0.42 40.82 ? 205 EDO   B H22    1 
HETATM 4148 H HO2    A EDO   K 3 .   ? -10.099 -9.447  -31.886 0.58 43.73 ? 205 EDO   B HO2    1 
HETATM 4149 H HO2    B EDO   K 3 .   ? -5.969  -9.373  -29.534 0.42 46.04 ? 205 EDO   B HO2    1 
HETATM 4150 C C1     . PEG   L 4 .   ? -11.003 -29.738 -22.000 1.00 41.25 ? 206 PEG   B C1     1 
HETATM 4151 O O1     . PEG   L 4 .   ? -9.575  -29.713 -22.098 1.00 30.85 ? 206 PEG   B O1     1 
HETATM 4152 C C2     . PEG   L 4 .   ? -11.495 -29.802 -20.577 1.00 37.49 ? 206 PEG   B C2     1 
HETATM 4153 O O2     . PEG   L 4 .   ? -11.173 -31.051 -19.982 1.00 35.16 ? 206 PEG   B O2     1 
HETATM 4154 C C3     . PEG   L 4 .   ? -10.133 -30.996 -19.005 1.00 15.52 ? 206 PEG   B C3     1 
HETATM 4155 C C4     . PEG   L 4 .   ? -10.639 -30.443 -17.687 1.00 32.80 ? 206 PEG   B C4     1 
HETATM 4156 O O4     . PEG   L 4 .   ? -9.771  -29.624 -16.895 1.00 17.54 ? 206 PEG   B O4     1 
HETATM 4157 H H11    . PEG   L 4 .   ? -11.332 -30.517 -22.475 1.00 49.50 ? 206 PEG   B H11    1 
HETATM 4158 H H12    . PEG   L 4 .   ? -11.355 -28.934 -22.413 1.00 49.50 ? 206 PEG   B H12    1 
HETATM 4159 H HO1    . PEG   L 4 .   ? -9.187  -29.275 -21.488 1.00 37.03 ? 206 PEG   B HO1    1 
HETATM 4160 H H21    . PEG   L 4 .   ? -12.458 -29.686 -20.569 1.00 44.99 ? 206 PEG   B H21    1 
HETATM 4161 H H22    . PEG   L 4 .   ? -11.079 -29.090 -20.065 1.00 44.99 ? 206 PEG   B H22    1 
HETATM 4162 H H31    . PEG   L 4 .   ? -9.421  -30.426 -19.334 1.00 18.62 ? 206 PEG   B H31    1 
HETATM 4163 H H32    . PEG   L 4 .   ? -9.789  -31.892 -18.859 1.00 18.62 ? 206 PEG   B H32    1 
HETATM 4164 H H41    . PEG   L 4 .   ? -10.893 -31.202 -17.139 1.00 39.36 ? 206 PEG   B H41    1 
HETATM 4165 H H42    . PEG   L 4 .   ? -11.426 -29.911 -17.887 1.00 39.36 ? 206 PEG   B H42    1 
HETATM 4166 H HO4    . PEG   L 4 .   ? -9.669  -29.892 -16.105 1.00 21.04 ? 206 PEG   B HO4    1 
HETATM 4167 O O      . HOH   M 5 .   ? -16.042 10.198  -3.227  1.00 25.27 ? 301 HOH   A O      1 
HETATM 4168 O O      . HOH   M 5 .   ? -4.145  -8.437  -19.733 1.00 37.74 ? 302 HOH   A O      1 
HETATM 4169 O O      . HOH   M 5 .   ? -1.614  2.436   -10.692 1.00 19.60 ? 303 HOH   A O      1 
HETATM 4170 O O      . HOH   M 5 .   ? -38.224 -17.664 -2.862  1.00 39.45 ? 304 HOH   A O      1 
HETATM 4171 O O      . HOH   M 5 .   ? -24.327 0.285   -1.829  1.00 29.16 ? 305 HOH   A O      1 
HETATM 4172 O O      . HOH   M 5 .   ? -6.605  -12.796 -4.037  1.00 32.99 ? 306 HOH   A O      1 
HETATM 4173 O O      . HOH   M 5 .   ? -14.620 -20.084 -7.291  1.00 15.88 ? 307 HOH   A O      1 
HETATM 4174 O O      . HOH   M 5 .   ? -24.594 8.830   -14.493 1.00 30.85 ? 308 HOH   A O      1 
HETATM 4175 O O      . HOH   M 5 .   ? -6.599  -0.938  -15.428 1.00 21.38 ? 309 HOH   A O      1 
HETATM 4176 O O      . HOH   M 5 .   ? -8.908  -18.743 -13.413 1.00 20.59 ? 310 HOH   A O      1 
HETATM 4177 O O      . HOH   M 5 .   ? -14.271 -11.858 -8.005  1.00 12.20 ? 311 HOH   A O      1 
HETATM 4178 O O      . HOH   M 5 .   ? -11.401 9.222   -10.240 1.00 32.35 ? 312 HOH   A O      1 
HETATM 4179 O O      . HOH   M 5 .   ? -18.449 -10.746 -27.568 1.00 28.58 ? 313 HOH   A O      1 
HETATM 4180 O O      . HOH   M 5 .   ? -14.298 -20.380 -3.409  1.00 18.36 ? 314 HOH   A O      1 
HETATM 4181 O O      . HOH   M 5 .   ? -30.469 -13.109 -5.371  1.00 22.23 ? 315 HOH   A O      1 
HETATM 4182 O O      . HOH   M 5 .   ? -32.091 -0.167  -20.751 1.00 27.54 ? 316 HOH   A O      1 
HETATM 4183 O O      . HOH   M 5 .   ? -17.797 -2.018  -22.409 1.00 20.08 ? 317 HOH   A O      1 
HETATM 4184 O O      . HOH   M 5 .   ? -9.903  -16.928 -4.234  1.00 33.78 ? 318 HOH   A O      1 
HETATM 4185 O O      . HOH   M 5 .   ? -31.983 -12.167 -7.515  1.00 24.59 ? 319 HOH   A O      1 
HETATM 4186 O O      . HOH   M 5 .   ? -21.809 -7.564  -25.670 1.00 33.36 ? 320 HOH   A O      1 
HETATM 4187 O O      . HOH   M 5 .   ? -10.848 -13.895 -5.885  1.00 17.34 ? 321 HOH   A O      1 
HETATM 4188 O O      . HOH   M 5 .   ? -22.447 -8.105  0.372   1.00 18.43 ? 322 HOH   A O      1 
HETATM 4189 O O      . HOH   M 5 .   ? -23.004 -5.146  3.156   1.00 18.23 ? 323 HOH   A O      1 
HETATM 4190 O O      . HOH   M 5 .   ? -32.559 2.457   -18.604 1.00 27.18 ? 324 HOH   A O      1 
HETATM 4191 O O      . HOH   M 5 .   ? -26.392 -2.231  -23.145 1.00 21.76 ? 325 HOH   A O      1 
HETATM 4192 O O      . HOH   M 5 .   ? -10.685 -9.171  -2.418  1.00 21.33 ? 326 HOH   A O      1 
HETATM 4193 O O      . HOH   M 5 .   ? -2.120  -13.998 -12.541 1.00 32.35 ? 327 HOH   A O      1 
HETATM 4194 O O      . HOH   M 5 .   ? -16.482 2.301   -3.449  1.00 13.33 ? 328 HOH   A O      1 
HETATM 4195 O O      . HOH   M 5 .   ? -18.546 -22.866 -2.988  1.00 23.64 ? 329 HOH   A O      1 
HETATM 4196 O O      . HOH   M 5 .   ? -4.414  -7.213  -9.744  1.00 17.25 ? 330 HOH   A O      1 
HETATM 4197 O O      . HOH   M 5 .   ? -16.628 -12.799 2.330   1.00 19.90 ? 331 HOH   A O      1 
HETATM 4198 O O      . HOH   M 5 .   ? -20.720 -19.354 -1.126  1.00 21.95 ? 332 HOH   A O      1 
HETATM 4199 O O      . HOH   M 5 .   ? -37.071 -13.794 -16.810 1.00 26.18 ? 333 HOH   A O      1 
HETATM 4200 O O      . HOH   M 5 .   ? -36.613 -2.879  -12.602 1.00 23.56 ? 334 HOH   A O      1 
HETATM 4201 O O      . HOH   M 5 .   ? -32.742 -20.468 -3.363  1.00 38.49 ? 335 HOH   A O      1 
HETATM 4202 O O      . HOH   M 5 .   ? -19.981 -12.653 -2.682  1.00 14.74 ? 336 HOH   A O      1 
HETATM 4203 O O      . HOH   M 5 .   ? -16.908 -13.525 -9.827  1.00 11.53 ? 337 HOH   A O      1 
HETATM 4204 O O      . HOH   M 5 .   ? -17.632 -4.743  4.132   1.00 14.18 ? 338 HOH   A O      1 
HETATM 4205 O O      . HOH   M 5 .   ? -6.185  -15.014 -5.158  1.00 31.42 ? 339 HOH   A O      1 
HETATM 4206 O O      . HOH   M 5 .   ? -23.975 1.566   -25.632 1.00 49.05 ? 340 HOH   A O      1 
HETATM 4207 O O      . HOH   M 5 .   ? -11.049 -15.651 -12.981 1.00 15.85 ? 341 HOH   A O      1 
HETATM 4208 O O      . HOH   M 5 .   ? -34.009 -3.636  -8.395  1.00 32.03 ? 342 HOH   A O      1 
HETATM 4209 O O      . HOH   M 5 .   ? -8.689  -15.313 -6.640  1.00 25.71 ? 343 HOH   A O      1 
HETATM 4210 O O      . HOH   M 5 .   ? -20.526 -20.979 -9.299  1.00 10.55 ? 344 HOH   A O      1 
HETATM 4211 O O      . HOH   M 5 .   ? -14.776 10.650  -8.111  1.00 37.84 ? 345 HOH   A O      1 
HETATM 4212 O O      . HOH   M 5 .   ? -6.636  -14.631 -19.739 1.00 20.23 ? 346 HOH   A O      1 
HETATM 4213 O O      . HOH   M 5 .   ? -26.431 -10.193 -10.460 1.00 16.95 ? 347 HOH   A O      1 
HETATM 4214 O O      . HOH   M 5 .   ? -9.312  -9.374  -24.270 1.00 34.40 ? 348 HOH   A O      1 
HETATM 4215 O O      . HOH   M 5 .   ? -15.889 -13.682 -4.419  1.00 12.16 ? 349 HOH   A O      1 
HETATM 4216 O O      . HOH   M 5 .   ? -32.717 -15.186 -24.633 1.00 27.05 ? 350 HOH   A O      1 
HETATM 4217 O O      . HOH   M 5 .   ? -16.637 -17.936 0.488   1.00 23.80 ? 351 HOH   A O      1 
HETATM 4218 O O      . HOH   M 5 .   ? -29.598 -14.143 -23.686 1.00 16.96 ? 352 HOH   A O      1 
HETATM 4219 O O      . HOH   M 5 .   ? -22.497 -10.652 -6.210  1.00 17.22 ? 353 HOH   A O      1 
HETATM 4220 O O      . HOH   M 5 .   ? -5.036  -0.774  -11.659 1.00 19.15 ? 354 HOH   A O      1 
HETATM 4221 O O      . HOH   M 5 .   ? -14.130 -9.808  0.843   1.00 17.28 ? 355 HOH   A O      1 
HETATM 4222 O O      . HOH   M 5 .   ? -4.922  -6.304  -7.035  1.00 18.98 ? 356 HOH   A O      1 
HETATM 4223 O O      . HOH   M 5 .   ? -22.134 -1.655  -0.972  1.00 19.05 ? 357 HOH   A O      1 
HETATM 4224 O O      . HOH   M 5 .   ? -11.895 -4.070  -0.728  1.00 26.50 ? 358 HOH   A O      1 
HETATM 4225 O O      . HOH   M 5 .   ? -18.571 0.000   -0.000  0.50 15.29 ? 359 HOH   A O      1 
HETATM 4226 O O      . HOH   M 5 .   ? -3.430  -13.365 -15.176 1.00 31.21 ? 360 HOH   A O      1 
HETATM 4227 O O      . HOH   M 5 .   ? -5.485  -13.587 -17.156 1.00 19.64 ? 361 HOH   A O      1 
HETATM 4228 O O      . HOH   M 5 .   ? -36.204 -23.521 -8.380  1.00 28.89 ? 362 HOH   A O      1 
HETATM 4229 O O      A HOH   M 5 .   ? -29.082 2.124   -7.009  0.62 23.00 ? 363 HOH   A O      1 
HETATM 4230 O O      B HOH   M 5 .   ? -29.288 1.013   -6.551  0.38 22.19 ? 363 HOH   A O      1 
HETATM 4231 O O      . HOH   M 5 .   ? -16.146 -3.541  -31.619 1.00 45.41 ? 364 HOH   A O      1 
HETATM 4232 O O      . HOH   M 5 .   ? -18.964 -13.304 3.471   1.00 27.71 ? 365 HOH   A O      1 
HETATM 4233 O O      . HOH   M 5 .   ? -35.489 -17.183 -4.079  1.00 34.02 ? 366 HOH   A O      1 
HETATM 4234 O O      . HOH   M 5 .   ? -5.975  -19.915 -13.032 1.00 29.46 ? 367 HOH   A O      1 
HETATM 4235 O O      . HOH   M 5 .   ? -11.108 -17.739 -14.723 1.00 12.99 ? 368 HOH   A O      1 
HETATM 4236 O O      . HOH   M 5 .   ? -4.099  -2.115  -5.166  1.00 29.93 ? 369 HOH   A O      1 
HETATM 4237 O O      . HOH   M 5 .   ? -25.590 -11.705 1.281   1.00 40.75 ? 370 HOH   A O      1 
HETATM 4238 O O      . HOH   M 5 .   ? -12.042 7.808   -7.518  1.00 32.88 ? 371 HOH   A O      1 
HETATM 4239 O O      . HOH   M 5 .   ? -19.164 10.576  -7.331  1.00 30.87 ? 372 HOH   A O      1 
HETATM 4240 O O      . HOH   M 5 .   ? -13.753 -5.383  -32.300 1.00 29.06 ? 373 HOH   A O      1 
HETATM 4241 O O      . HOH   M 5 .   ? -28.273 4.874   -6.957  1.00 29.92 ? 374 HOH   A O      1 
HETATM 4242 O O      . HOH   M 5 .   ? -36.811 -8.765  -11.694 1.00 29.05 ? 375 HOH   A O      1 
HETATM 4243 O O      . HOH   M 5 .   ? -8.132  -8.305  -22.266 1.00 33.07 ? 376 HOH   A O      1 
HETATM 4244 O O      . HOH   M 5 .   ? -24.716 -9.510  -7.739  1.00 25.98 ? 377 HOH   A O      1 
HETATM 4245 O O      . HOH   M 5 .   ? -21.857 -10.620 -3.219  1.00 17.62 ? 378 HOH   A O      1 
HETATM 4246 O O      . HOH   M 5 .   ? -9.865  3.983   -6.749  1.00 23.10 ? 379 HOH   A O      1 
HETATM 4247 O O      . HOH   M 5 .   ? -17.025 -2.195  0.735   1.00 13.91 ? 380 HOH   A O      1 
HETATM 4248 O O      . HOH   M 5 .   ? -35.951 -18.948 -18.671 1.00 35.47 ? 381 HOH   A O      1 
HETATM 4249 O O      . HOH   M 5 .   ? -22.691 -15.736 2.899   1.00 33.04 ? 382 HOH   A O      1 
HETATM 4250 O O      . HOH   M 5 .   ? -11.818 2.379   -1.509  1.00 26.79 ? 383 HOH   A O      1 
HETATM 4251 O O      . HOH   M 5 .   ? -11.544 -5.063  -23.880 1.00 24.46 ? 384 HOH   A O      1 
HETATM 4252 O O      . HOH   M 5 .   ? -33.797 -19.196 -19.970 1.00 29.25 ? 385 HOH   A O      1 
HETATM 4253 O O      . HOH   M 5 .   ? -12.831 -8.241  -1.038  1.00 18.70 ? 386 HOH   A O      1 
HETATM 4254 O O      . HOH   M 5 .   ? -17.420 9.930   -9.304  1.00 39.45 ? 387 HOH   A O      1 
HETATM 4255 O O      . HOH   M 5 .   ? -6.370  -4.637  -19.475 1.00 28.30 ? 388 HOH   A O      1 
HETATM 4256 O O      . HOH   M 5 .   ? -19.889 -8.157  -27.497 1.00 39.31 ? 389 HOH   A O      1 
HETATM 4257 O O      . HOH   M 5 .   ? -34.844 -14.470 -4.472  1.00 33.87 ? 390 HOH   A O      1 
HETATM 4258 O O      . HOH   M 5 .   ? -37.539 -7.015  -18.287 1.00 35.30 ? 391 HOH   A O      1 
HETATM 4259 O O      . HOH   M 5 .   ? -28.914 -2.661  -24.639 1.00 38.61 ? 392 HOH   A O      1 
HETATM 4260 O O      . HOH   M 5 .   ? -10.840 0.000   0.000   0.50 36.27 ? 393 HOH   A O      1 
HETATM 4261 O O      . HOH   M 5 .   ? -21.228 -8.131  -2.111  1.00 22.38 ? 394 HOH   A O      1 
HETATM 4262 O O      . HOH   M 5 .   ? -9.282  -13.452 -3.423  1.00 26.50 ? 395 HOH   A O      1 
HETATM 4263 O O      . HOH   M 5 .   ? -22.146 -6.179  -3.163  1.00 27.49 ? 396 HOH   A O      1 
HETATM 4264 O O      . HOH   M 5 .   ? -14.402 -16.556 1.405   1.00 33.57 ? 397 HOH   A O      1 
HETATM 4265 O O      . HOH   M 5 .   ? -9.212  -7.149  -3.401  1.00 39.44 ? 398 HOH   A O      1 
HETATM 4266 O O      . HOH   M 5 .   ? -0.613  -6.580  -3.496  1.00 46.64 ? 399 HOH   A O      1 
HETATM 4267 O O      . HOH   M 5 .   ? -34.649 -18.902 -22.374 1.00 41.24 ? 400 HOH   A O      1 
HETATM 4268 O O      . HOH   M 5 .   ? -25.490 -6.285  -7.254  1.00 30.05 ? 401 HOH   A O      1 
HETATM 4269 O O      . HOH   M 5 .   ? 1.247   -4.157  -5.042  1.00 36.31 ? 402 HOH   A O      1 
HETATM 4270 O O      . HOH   M 5 .   ? -25.108 6.942   -3.797  1.00 30.54 ? 403 HOH   A O      1 
HETATM 4271 O O      . HOH   M 5 .   ? -6.915  0.498   -13.108 1.00 22.62 ? 404 HOH   A O      1 
HETATM 4272 O O      . HOH   M 5 .   ? -10.414 -2.539  -23.099 1.00 37.04 ? 405 HOH   A O      1 
HETATM 4273 O O      . HOH   M 5 .   ? -31.065 -13.843 -26.207 1.00 25.41 ? 406 HOH   A O      1 
HETATM 4274 O O      . HOH   M 5 .   ? -3.032  -7.839  -3.126  1.00 41.34 ? 407 HOH   A O      1 
HETATM 4275 O O      . HOH   M 5 .   ? -15.617 -20.562 -0.732  1.00 31.10 ? 408 HOH   A O      1 
HETATM 4276 O O      . HOH   M 5 .   ? -24.270 3.498   -1.558  1.00 32.93 ? 409 HOH   A O      1 
HETATM 4277 O O      . HOH   M 5 .   ? -10.138 -6.699  -25.468 1.00 34.75 ? 410 HOH   A O      1 
HETATM 4278 O O      . HOH   M 5 .   ? -25.276 -8.312  0.349   1.00 45.29 ? 411 HOH   A O      1 
HETATM 4279 O O      . HOH   M 5 .   ? -31.877 -14.490 -3.215  1.00 37.14 ? 412 HOH   A O      1 
HETATM 4280 O O      . HOH   M 5 .   ? -24.751 -21.563 -0.353  1.00 39.80 ? 413 HOH   A O      1 
HETATM 4281 O O      . HOH   M 5 .   ? -22.284 -21.713 -1.183  1.00 21.37 ? 414 HOH   A O      1 
HETATM 4282 O O      . HOH   M 5 .   ? -32.665 -11.761 -27.379 1.00 36.45 ? 415 HOH   A O      1 
HETATM 4283 O O      . HOH   M 5 .   ? -10.913 -6.265  -0.013  1.00 31.02 ? 416 HOH   A O      1 
HETATM 4284 O O      . HOH   M 5 .   ? -23.504 -3.994  -1.568  1.00 26.09 ? 417 HOH   A O      1 
HETATM 4285 O O      . HOH   N 5 .   ? -38.012 -27.252 -22.396 1.00 34.35 ? 301 HOH   B O      1 
HETATM 4286 O O      . HOH   N 5 .   ? -13.202 -23.254 -9.502  1.00 17.94 ? 302 HOH   B O      1 
HETATM 4287 O O      . HOH   N 5 .   ? -27.519 -40.224 -7.600  1.00 36.56 ? 303 HOH   B O      1 
HETATM 4288 O O      . HOH   N 5 .   ? -16.910 -10.425 -29.964 1.00 36.27 ? 304 HOH   B O      1 
HETATM 4289 O O      . HOH   N 5 .   ? -10.453 -14.676 -34.044 1.00 31.57 ? 305 HOH   B O      1 
HETATM 4290 O O      . HOH   N 5 .   ? -21.561 -24.703 2.506   1.00 24.85 ? 306 HOH   B O      1 
HETATM 4291 O O      . HOH   N 5 .   ? -9.266  -24.778 -26.507 1.00 23.20 ? 307 HOH   B O      1 
HETATM 4292 O O      . HOH   N 5 .   ? -31.836 -31.747 -21.719 1.00 17.91 ? 308 HOH   B O      1 
HETATM 4293 O O      . HOH   N 5 .   ? -4.586  -18.756 -25.116 1.00 36.95 ? 309 HOH   B O      1 
HETATM 4294 O O      . HOH   N 5 .   ? -16.460 -30.095 -12.552 1.00 12.94 ? 310 HOH   B O      1 
HETATM 4295 O O      . HOH   N 5 .   ? -7.734  -21.015 -11.241 1.00 36.74 ? 311 HOH   B O      1 
HETATM 4296 O O      . HOH   N 5 .   ? -13.938 -23.124 -4.132  1.00 36.67 ? 312 HOH   B O      1 
HETATM 4297 O O      . HOH   N 5 .   ? -39.910 -27.594 -19.764 1.00 28.94 ? 313 HOH   B O      1 
HETATM 4298 O O      . HOH   N 5 .   ? -33.922 -36.915 -19.268 1.00 27.82 ? 314 HOH   B O      1 
HETATM 4299 O O      . HOH   N 5 .   ? -10.237 -33.975 -19.096 1.00 27.84 ? 315 HOH   B O      1 
HETATM 4300 O O      . HOH   N 5 .   ? -17.454 -37.298 -6.536  1.00 18.13 ? 316 HOH   B O      1 
HETATM 4301 O O      . HOH   N 5 .   ? -12.790 -29.197 -6.304  1.00 29.33 ? 317 HOH   B O      1 
HETATM 4302 O O      . HOH   N 5 .   ? -25.830 -32.821 -36.299 1.00 34.89 ? 318 HOH   B O      1 
HETATM 4303 O O      . HOH   N 5 .   ? -16.526 -43.552 -19.799 1.00 25.90 ? 319 HOH   B O      1 
HETATM 4304 O O      . HOH   N 5 .   ? -15.274 -34.670 -5.618  1.00 24.88 ? 320 HOH   B O      1 
HETATM 4305 O O      . HOH   N 5 .   ? -9.563  -24.532 -8.532  1.00 24.60 ? 321 HOH   B O      1 
HETATM 4306 O O      . HOH   N 5 .   ? -35.105 -24.507 -12.417 1.00 26.14 ? 322 HOH   B O      1 
HETATM 4307 O O      . HOH   N 5 .   ? -15.006 -30.170 -8.445  1.00 18.02 ? 323 HOH   B O      1 
HETATM 4308 O O      . HOH   N 5 .   ? -28.580 -39.314 -10.545 1.00 27.61 ? 324 HOH   B O      1 
HETATM 4309 O O      . HOH   N 5 .   ? -30.429 -28.643 -29.814 1.00 30.20 ? 325 HOH   B O      1 
HETATM 4310 O O      . HOH   N 5 .   ? -20.886 -23.766 -5.673  1.00 12.31 ? 326 HOH   B O      1 
HETATM 4311 O O      . HOH   N 5 .   ? -23.408 -30.711 -1.848  1.00 21.33 ? 327 HOH   B O      1 
HETATM 4312 O O      . HOH   N 5 .   ? -28.475 -46.560 -18.128 1.00 37.99 ? 328 HOH   B O      1 
HETATM 4313 O O      . HOH   N 5 .   ? -6.008  -32.453 -12.770 1.00 23.40 ? 329 HOH   B O      1 
HETATM 4314 O O      . HOH   N 5 .   ? -20.656 -25.916 -8.812  1.00 16.17 ? 330 HOH   B O      1 
HETATM 4315 O O      . HOH   N 5 .   ? -6.063  -24.416 -14.755 1.00 25.23 ? 331 HOH   B O      1 
HETATM 4316 O O      . HOH   N 5 .   ? -13.051 -35.716 -9.663  1.00 30.02 ? 332 HOH   B O      1 
HETATM 4317 O O      . HOH   N 5 .   ? -17.503 -17.494 -33.710 1.00 32.09 ? 333 HOH   B O      1 
HETATM 4318 O O      . HOH   N 5 .   ? -22.011 -36.889 -5.816  1.00 15.22 ? 334 HOH   B O      1 
HETATM 4319 O O      . HOH   N 5 .   ? -28.514 -25.515 -6.314  1.00 20.16 ? 335 HOH   B O      1 
HETATM 4320 O O      . HOH   N 5 .   ? -13.157 -19.759 -14.794 1.00 12.07 ? 336 HOH   B O      1 
HETATM 4321 O O      . HOH   N 5 .   ? -16.890 -27.167 -14.448 1.00 12.76 ? 337 HOH   B O      1 
HETATM 4322 O O      . HOH   N 5 .   ? -9.093  -35.462 -12.172 1.00 20.47 ? 338 HOH   B O      1 
HETATM 4323 O O      . HOH   N 5 .   ? -33.084 -27.471 -11.281 1.00 20.36 ? 339 HOH   B O      1 
HETATM 4324 O O      . HOH   N 5 .   ? -15.114 -30.270 -3.390  1.00 26.88 ? 340 HOH   B O      1 
HETATM 4325 O O      . HOH   N 5 .   ? -12.203 -29.481 -12.795 1.00 14.91 ? 341 HOH   B O      1 
HETATM 4326 O O      . HOH   N 5 .   ? -30.269 -24.381 -32.190 0.50 21.01 ? 342 HOH   B O      1 
HETATM 4327 O O      . HOH   N 5 .   ? -5.761  -22.227 -23.009 1.00 33.51 ? 343 HOH   B O      1 
HETATM 4328 O O      . HOH   N 5 .   ? -30.642 -37.357 -26.006 1.00 32.74 ? 344 HOH   B O      1 
HETATM 4329 O O      . HOH   N 5 .   ? -18.091 -13.072 -30.987 1.00 34.42 ? 345 HOH   B O      1 
HETATM 4330 O O      . HOH   N 5 .   ? -17.234 -27.919 -0.774  1.00 20.47 ? 346 HOH   B O      1 
HETATM 4331 O O      . HOH   N 5 .   ? -25.757 -17.102 -27.685 1.00 18.58 ? 347 HOH   B O      1 
HETATM 4332 O O      . HOH   N 5 .   ? -4.785  -14.516 -25.589 1.00 35.82 ? 348 HOH   B O      1 
HETATM 4333 O O      . HOH   N 5 .   ? -37.800 -34.603 -19.319 1.00 27.80 ? 349 HOH   B O      1 
HETATM 4334 O O      . HOH   N 5 .   ? -23.280 -28.455 1.320   1.00 23.62 ? 350 HOH   B O      1 
HETATM 4335 O O      . HOH   N 5 .   ? -6.177  -27.310 -11.312 1.00 25.67 ? 351 HOH   B O      1 
HETATM 4336 O O      . HOH   N 5 .   ? -21.010 -24.005 -2.072  1.00 18.13 ? 352 HOH   B O      1 
HETATM 4337 O O      . HOH   N 5 .   ? -32.965 -22.308 -25.011 1.00 32.10 ? 353 HOH   B O      1 
HETATM 4338 O O      . HOH   N 5 .   ? -34.339 -24.249 -27.066 1.00 35.32 ? 354 HOH   B O      1 
HETATM 4339 O O      . HOH   N 5 .   ? -16.011 -26.678 -24.638 1.00 26.27 ? 355 HOH   B O      1 
HETATM 4340 O O      . HOH   N 5 .   ? -33.141 -33.459 -13.019 1.00 23.73 ? 356 HOH   B O      1 
HETATM 4341 O O      . HOH   N 5 .   ? -15.855 -33.252 -0.954  1.00 22.62 ? 357 HOH   B O      1 
HETATM 4342 O O      . HOH   N 5 .   ? -4.707  -15.785 -21.299 1.00 34.52 ? 358 HOH   B O      1 
HETATM 4343 O O      . HOH   N 5 .   ? -11.109 -24.288 -28.638 1.00 27.98 ? 359 HOH   B O      1 
HETATM 4344 O O      . HOH   N 5 .   ? -17.370 -45.347 -21.538 1.00 37.64 ? 360 HOH   B O      1 
HETATM 4345 O O      . HOH   N 5 .   ? -19.823 -38.551 -6.421  1.00 18.48 ? 361 HOH   B O      1 
HETATM 4346 O O      A HOH   N 5 .   ? -7.905  -38.691 -10.930 0.61 27.25 ? 362 HOH   B O      1 
HETATM 4347 O O      B HOH   N 5 .   ? -7.536  -37.351 -10.371 0.39 25.32 ? 362 HOH   B O      1 
HETATM 4348 O O      . HOH   N 5 .   ? -4.423  -31.390 -14.968 1.00 25.52 ? 363 HOH   B O      1 
HETATM 4349 O O      . HOH   N 5 .   ? -22.200 -45.974 -14.650 1.00 32.11 ? 364 HOH   B O      1 
HETATM 4350 O O      . HOH   N 5 .   ? -34.545 -24.320 -22.031 1.00 34.79 ? 365 HOH   B O      1 
HETATM 4351 O O      . HOH   N 5 .   ? -26.693 -27.923 -5.017  1.00 16.16 ? 366 HOH   B O      1 
HETATM 4352 O O      . HOH   N 5 .   ? -7.921  -33.767 -8.629  1.00 36.44 ? 367 HOH   B O      1 
HETATM 4353 O O      . HOH   N 5 .   ? -19.765 -12.878 -28.958 1.00 23.65 ? 368 HOH   B O      1 
HETATM 4354 O O      . HOH   N 5 .   ? -13.823 -26.780 -25.857 1.00 30.42 ? 369 HOH   B O      1 
HETATM 4355 O O      . HOH   N 5 .   ? -21.649 -23.436 -8.268  1.00 10.26 ? 370 HOH   B O      1 
HETATM 4356 O O      . HOH   N 5 .   ? -32.119 -24.580 -23.352 1.00 30.30 ? 371 HOH   B O      1 
HETATM 4357 O O      . HOH   N 5 .   ? -25.684 -14.713 -30.040 1.00 31.73 ? 372 HOH   B O      1 
HETATM 4358 O O      . HOH   N 5 .   ? -3.036  -28.316 -16.971 1.00 33.97 ? 373 HOH   B O      1 
HETATM 4359 O O      . HOH   N 5 .   ? -33.668 -30.175 -14.646 1.00 19.51 ? 374 HOH   B O      1 
HETATM 4360 O O      . HOH   N 5 .   ? -11.422 -25.758 -5.827  1.00 31.83 ? 375 HOH   B O      1 
HETATM 4361 O O      . HOH   N 5 .   ? -16.689 -30.824 -26.995 1.00 29.86 ? 376 HOH   B O      1 
HETATM 4362 O O      . HOH   N 5 .   ? -14.207 -28.745 -23.036 1.00 25.79 ? 377 HOH   B O      1 
HETATM 4363 O O      . HOH   N 5 .   ? -10.881 -41.207 -17.190 1.00 30.59 ? 378 HOH   B O      1 
HETATM 4364 O O      . HOH   N 5 .   ? -33.254 -22.015 -19.948 1.00 31.37 ? 379 HOH   B O      1 
HETATM 4365 O O      . HOH   N 5 .   ? -11.717 -36.556 -11.668 1.00 23.65 ? 380 HOH   B O      1 
HETATM 4366 O O      . HOH   N 5 .   ? -12.928 -32.005 -7.065  1.00 28.63 ? 381 HOH   B O      1 
HETATM 4367 O O      . HOH   N 5 .   ? -12.104 -42.335 -19.848 1.00 34.59 ? 382 HOH   B O      1 
HETATM 4368 O O      . HOH   N 5 .   ? -17.850 -21.696 -0.653  1.00 36.89 ? 383 HOH   B O      1 
HETATM 4369 O O      . HOH   N 5 .   ? -5.134  -35.428 -21.642 1.00 38.58 ? 384 HOH   B O      1 
HETATM 4370 O O      . HOH   N 5 .   ? -20.128 -42.845 -6.398  1.00 36.39 ? 385 HOH   B O      1 
HETATM 4371 O O      . HOH   N 5 .   ? -30.269 -27.209 -32.190 0.50 25.98 ? 386 HOH   B O      1 
HETATM 4372 O O      . HOH   N 5 .   ? -25.988 -30.040 -3.227  1.00 28.90 ? 387 HOH   B O      1 
HETATM 4373 O O      . HOH   N 5 .   ? -27.758 -15.924 -29.498 1.00 26.76 ? 388 HOH   B O      1 
HETATM 4374 O O      . HOH   N 5 .   ? -15.357 -31.512 -5.631  1.00 31.33 ? 389 HOH   B O      1 
HETATM 4375 O O      . HOH   N 5 .   ? -26.776 -37.892 -6.472  1.00 27.79 ? 390 HOH   B O      1 
HETATM 4376 O O      . HOH   N 5 .   ? -14.279 -31.857 -24.576 1.00 37.15 ? 391 HOH   B O      1 
HETATM 4377 O O      . HOH   N 5 .   ? -11.947 -34.356 -21.505 1.00 35.94 ? 392 HOH   B O      1 
HETATM 4378 O O      . HOH   N 5 .   ? -9.807  -22.842 -30.889 1.00 37.08 ? 393 HOH   B O      1 
HETATM 4379 O O      . HOH   N 5 .   ? -31.891 -17.167 -31.958 1.00 40.28 ? 394 HOH   B O      1 
HETATM 4380 O O      . HOH   N 5 .   ? -34.214 -32.653 -15.006 1.00 23.40 ? 395 HOH   B O      1 
HETATM 4381 O O      . HOH   N 5 .   ? -23.185 -38.079 -3.495  1.00 27.03 ? 396 HOH   B O      1 
HETATM 4382 O O      . HOH   N 5 .   ? -13.050 -22.187 -7.108  1.00 23.51 ? 397 HOH   B O      1 
HETATM 4383 O O      . HOH   N 5 .   ? -29.217 -26.783 -4.014  1.00 32.38 ? 398 HOH   B O      1 
HETATM 4384 O O      . HOH   N 5 .   ? -19.703 -24.216 4.520   1.00 26.12 ? 399 HOH   B O      1 
HETATM 4385 O O      . HOH   N 5 .   ? -5.117  -21.835 -15.167 1.00 29.47 ? 400 HOH   B O      1 
HETATM 4386 O O      . HOH   N 5 .   ? -29.024 -40.571 -2.437  1.00 49.26 ? 401 HOH   B O      1 
HETATM 4387 O O      . HOH   N 5 .   ? -6.844  -22.399 -29.946 1.00 34.79 ? 402 HOH   B 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   . ARG A 3   ? 0.5561 0.2687 0.4534 0.0467  -0.1809 0.0253  20  ARG A N   
2    C CA  . ARG A 3   ? 0.4973 0.2283 0.3990 0.0466  -0.1600 0.0228  20  ARG A CA  
3    C C   . ARG A 3   ? 0.5094 0.2651 0.4264 0.0445  -0.1570 0.0249  20  ARG A C   
4    O O   . ARG A 3   ? 0.5213 0.2973 0.4745 0.0549  -0.1625 0.0225  20  ARG A O   
5    C CB  . ARG A 3   ? 0.5454 0.2900 0.4785 0.0652  -0.1479 0.0130  20  ARG A CB  
6    C CG  . ARG A 3   ? 0.5643 0.2841 0.4737 0.0643  -0.1449 0.0102  20  ARG A CG  
7    C CD  . ARG A 3   ? 0.6132 0.3451 0.5508 0.0828  -0.1316 -0.0009 20  ARG A CD  
8    N NE  . ARG A 3   ? 0.5897 0.3432 0.5382 0.0856  -0.1112 -0.0066 20  ARG A NE  
9    C CZ  . ARG A 3   ? 0.5521 0.3025 0.4763 0.0756  -0.0976 -0.0085 20  ARG A CZ  
10   N NH1 . ARG A 3   ? 0.6162 0.3349 0.5038 0.0640  -0.1048 -0.0045 20  ARG A NH1 
11   N NH2 . ARG A 3   ? 0.5543 0.3344 0.4918 0.0759  -0.0770 -0.0141 20  ARG A NH2 
24   N N   . PRO A 4   ? 0.4630 0.2238 0.3550 0.0284  -0.1452 0.0278  21  PRO A N   
25   C CA  . PRO A 4   ? 0.4105 0.1963 0.3128 0.0233  -0.1407 0.0282  21  PRO A CA  
26   C C   . PRO A 4   ? 0.3838 0.2090 0.3285 0.0343  -0.1243 0.0203  21  PRO A C   
27   O O   . PRO A 4   ? 0.4021 0.2384 0.3592 0.0412  -0.1092 0.0140  21  PRO A O   
28   C CB  . PRO A 4   ? 0.4432 0.2257 0.3086 0.0039  -0.1281 0.0306  21  PRO A CB  
29   C CG  . PRO A 4   ? 0.4708 0.2480 0.3274 0.0024  -0.1165 0.0278  21  PRO A CG  
30   C CD  . PRO A 4   ? 0.4910 0.2412 0.3494 0.0136  -0.1327 0.0288  21  PRO A CD  
38   N N   . ALA A 5   ? 0.3326 0.1767 0.2963 0.0343  -0.1277 0.0210  22  ALA A N   
39   C CA  . ALA A 5   ? 0.2850 0.1655 0.2818 0.0391  -0.1111 0.0153  22  ALA A CA  
40   C C   . ALA A 5   ? 0.2804 0.1693 0.2542 0.0252  -0.0963 0.0150  22  ALA A C   
41   O O   . ALA A 5   ? 0.3076 0.1833 0.2535 0.0134  -0.1029 0.0193  22  ALA A O   
42   C CB  . ALA A 5   ? 0.3147 0.2097 0.3440 0.0445  -0.1242 0.0166  22  ALA A CB  
48   N N   . LEU A 6   ? 0.2482 0.1576 0.2332 0.0270  -0.0766 0.0096  23  LEU A N   
49   C CA  . LEU A 6   ? 0.2307 0.1470 0.1966 0.0159  -0.0631 0.0085  23  LEU A CA  
50   C C   . LEU A 6   ? 0.2230 0.1666 0.2119 0.0178  -0.0517 0.0050  23  LEU A C   
51   O O   . LEU A 6   ? 0.2281 0.1871 0.2452 0.0272  -0.0460 0.0021  23  LEU A O   
52   C CB  . LEU A 6   ? 0.2616 0.1699 0.2117 0.0139  -0.0531 0.0063  23  LEU A CB  
53   C CG  . LEU A 6   ? 0.2852 0.1634 0.2113 0.0109  -0.0647 0.0102  23  LEU A CG  
54   C CD1 . LEU A 6   ? 0.3211 0.1912 0.2378 0.0111  -0.0568 0.0073  23  LEU A CD1 
55   C CD2 . LEU A 6   ? 0.3178 0.1810 0.2126 -0.0042 -0.0704 0.0157  23  LEU A CD2 
67   N N   . TYR A 7   ? 0.1970 0.1454 0.1732 0.0085  -0.0479 0.0052  24  TYR A N   
68   C CA  . TYR A 7   ? 0.1797 0.1492 0.1724 0.0086  -0.0390 0.0025  24  TYR A CA  
69   C C   . TYR A 7   ? 0.1751 0.1480 0.1522 0.0024  -0.0264 -0.0003 24  TYR A C   
70   O O   . TYR A 7   ? 0.2192 0.1828 0.1738 -0.0058 -0.0269 0.0002  24  TYR A O   
71   C CB  . TYR A 7   ? 0.1923 0.1613 0.1851 0.0043  -0.0497 0.0046  24  TYR A CB  
72   C CG  . TYR A 7   ? 0.1658 0.1529 0.1767 0.0041  -0.0441 0.0027  24  TYR A CG  
73   C CD1 . TYR A 7   ? 0.1768 0.1689 0.1773 -0.0006 -0.0336 -0.0004 24  TYR A CD1 
74   C CD2 . TYR A 7   ? 0.1681 0.1668 0.2083 0.0081  -0.0506 0.0041  24  TYR A CD2 
75   C CE1 . TYR A 7   ? 0.1611 0.1654 0.1756 -0.0011 -0.0304 -0.0016 24  TYR A CE1 
76   C CE2 . TYR A 7   ? 0.1829 0.1958 0.2384 0.0060  -0.0464 0.0032  24  TYR A CE2 
77   C CZ  . TYR A 7   ? 0.1689 0.1827 0.2093 0.0013  -0.0366 0.0006  24  TYR A CZ  
78   O OH  . TYR A 7   ? 0.1745 0.1984 0.2283 -0.0011 -0.0344 0.0003  24  TYR A OH  
88   N N   . PHE A 8   ? 0.1508 0.1364 0.1396 0.0059  -0.0153 -0.0032 25  PHE A N   
89   C CA  . PHE A 8   ? 0.1485 0.1377 0.1269 0.0014  -0.0062 -0.0058 25  PHE A CA  
90   C C   . PHE A 8   ? 0.1339 0.1358 0.1214 0.0005  -0.0021 -0.0075 25  PHE A C   
91   O O   . PHE A 8   ? 0.1455 0.1559 0.1498 0.0044  -0.0004 -0.0071 25  PHE A O   
92   C CB  . PHE A 8   ? 0.1604 0.1476 0.1378 0.0048  0.0006  -0.0076 25  PHE A CB  
93   C CG  . PHE A 8   ? 0.1592 0.1508 0.1296 0.0003  0.0065  -0.0099 25  PHE A CG  
94   C CD1 . PHE A 8   ? 0.1740 0.1619 0.1320 -0.0069 0.0058  -0.0101 25  PHE A CD1 
95   C CD2 . PHE A 8   ? 0.1729 0.1728 0.1507 0.0025  0.0120  -0.0114 25  PHE A CD2 
96   C CE1 . PHE A 8   ? 0.1801 0.1756 0.1388 -0.0103 0.0098  -0.0126 25  PHE A CE1 
97   C CE2 . PHE A 8   ? 0.1731 0.1761 0.1467 -0.0010 0.0139  -0.0132 25  PHE A CE2 
98   C CZ  . PHE A 8   ? 0.1709 0.1733 0.1378 -0.0065 0.0125  -0.0142 25  PHE A CZ  
108  N N   . CYS A 9   ? 0.1329 0.1358 0.1102 -0.0048 0.0001  -0.0096 26  CYS A N   
109  C CA  . CYS A 9   ? 0.1314 0.1423 0.1145 -0.0052 0.0028  -0.0120 26  CYS A CA  
110  C C   . CYS A 9   ? 0.1189 0.1343 0.1006 -0.0057 0.0088  -0.0149 26  CYS A C   
111  O O   . CYS A 9   ? 0.1452 0.1594 0.1189 -0.0093 0.0109  -0.0165 26  CYS A O   
112  C CB  . CYS A 9   ? 0.1441 0.1512 0.1176 -0.0095 -0.0007 -0.0138 26  CYS A CB  
113  S SG  . CYS A 9   ? 0.1675 0.1626 0.1325 -0.0119 -0.0120 -0.0103 26  CYS A SG  
119  N N   . GLY A 10  ? 0.1221 0.1419 0.1119 -0.0030 0.0107  -0.0153 27  GLY A N   
120  C CA  . GLY A 10  ? 0.1306 0.1527 0.1201 -0.0029 0.0126  -0.0178 27  GLY A CA  
121  C C   . GLY A 10  ? 0.1132 0.1355 0.1083 -0.0009 0.0117  -0.0173 27  GLY A C   
122  O O   . GLY A 10  ? 0.1209 0.1424 0.1198 -0.0004 0.0125  -0.0142 27  GLY A O   
126  N N   . SER A 11  ? 0.1122 0.1356 0.1091 -0.0001 0.0098  -0.0204 28  SER A N   
127  C CA  . SER A 11  ? 0.1147 0.1341 0.1141 0.0013  0.0067  -0.0198 28  SER A CA  
128  C C   . SER A 11  ? 0.1166 0.1293 0.1108 0.0005  0.0081  -0.0149 28  SER A C   
129  O O   . SER A 11  ? 0.1343 0.1433 0.1212 0.0005  0.0097  -0.0140 28  SER A O   
130  C CB  . SER A 11  ? 0.1202 0.1406 0.1236 0.0040  0.0028  -0.0242 28  SER A CB  
131  O OG  . SER A 11  ? 0.1255 0.1378 0.1293 0.0059  -0.0028 -0.0235 28  SER A OG  
137  N N   . ILE A 12  ? 0.1211 0.1303 0.1171 -0.0012 0.0078  -0.0119 29  ILE A N   
138  C CA  . ILE A 12  ? 0.1415 0.1428 0.1303 -0.0038 0.0111  -0.0072 29  ILE A CA  
139  C C   . ILE A 12  ? 0.1501 0.1409 0.1350 -0.0054 0.0046  -0.0057 29  ILE A C   
140  O O   . ILE A 12  ? 0.1622 0.1423 0.1368 -0.0045 -0.0005 -0.0054 29  ILE A O   
141  C CB  . ILE A 12  ? 0.1401 0.1477 0.1366 -0.0060 0.0190  -0.0040 29  ILE A CB  
142  C CG1 . ILE A 12  ? 0.1531 0.1669 0.1521 -0.0028 0.0232  -0.0058 29  ILE A CG1 
143  C CG2 . ILE A 12  ? 0.1771 0.1764 0.1643 -0.0102 0.0256  0.0005  29  ILE A CG2 
144  C CD1 . ILE A 12  ? 0.1800 0.2021 0.1924 -0.0026 0.0302  -0.0038 29  ILE A CD1 
156  N N   . ARG A 13  ? 0.1415 0.1329 0.1339 -0.0077 0.0024  -0.0048 30  ARG A N   
157  C CA  . ARG A 13  ? 0.1559 0.1337 0.1435 -0.0091 -0.0056 -0.0037 30  ARG A CA  
158  C C   . ARG A 13  ? 0.1492 0.1246 0.1389 -0.0023 -0.0139 -0.0103 30  ARG A C   
159  O O   . ARG A 13  ? 0.1787 0.1403 0.1636 -0.0009 -0.0224 -0.0101 30  ARG A O   
160  C CB  . ARG A 13  ? 0.1572 0.1340 0.1516 -0.0148 -0.0065 -0.0007 30  ARG A CB  
161  C CG  . ARG A 13  ? 0.1809 0.1613 0.1768 -0.0220 0.0031  0.0060  30  ARG A CG  
162  C CD  . ARG A 13  ? 0.1910 0.1721 0.1972 -0.0297 0.0019  0.0100  30  ARG A CD  
163  N NE  . ARG A 13  ? 0.1857 0.1771 0.2011 -0.0362 0.0140  0.0152  30  ARG A NE  
164  C CZ  . ARG A 13  ? 0.1986 0.1997 0.2329 -0.0432 0.0153  0.0186  30  ARG A CZ  
165  N NH1 . ARG A 13  ? 0.1805 0.1777 0.2213 -0.0460 0.0037  0.0182  30  ARG A NH1 
166  N NH2 . ARG A 13  ? 0.2355 0.2512 0.2840 -0.0472 0.0286  0.0217  30  ARG A NH2 
180  N N   . GLY A 14  ? 0.1453 0.1332 0.1425 0.0019  -0.0115 -0.0161 31  GLY A N   
181  C CA  . GLY A 14  ? 0.1608 0.1503 0.1636 0.0083  -0.0162 -0.0230 31  GLY A CA  
182  C C   . GLY A 14  ? 0.1612 0.1478 0.1623 0.0105  -0.0206 -0.0221 31  GLY A C   
183  O O   . GLY A 14  ? 0.1842 0.1717 0.1945 0.0163  -0.0271 -0.0272 31  GLY A O   
187  N N   . GLY A 15  ? 0.1628 0.1452 0.1528 0.0062  -0.0178 -0.0163 32  GLY A N   
188  C CA  . GLY A 15  ? 0.1796 0.1559 0.1628 0.0068  -0.0230 -0.0150 32  GLY A CA  
189  C C   . GLY A 15  ? 0.1669 0.1500 0.1456 0.0042  -0.0154 -0.0143 32  GLY A C   
190  O O   . GLY A 15  ? 0.1545 0.1513 0.1419 0.0044  -0.0086 -0.0171 32  GLY A O   
194  N N   . ARG A 16  ? 0.1815 0.1518 0.1432 0.0016  -0.0171 -0.0106 33  ARG A N   
195  C CA  . ARG A 16  ? 0.1864 0.1577 0.1395 -0.0004 -0.0105 -0.0103 33  ARG A CA  
196  C C   . ARG A 16  ? 0.1903 0.1608 0.1437 0.0000  -0.0190 -0.0126 33  ARG A C   
197  O O   . ARG A 16  ? 0.2020 0.1638 0.1404 -0.0025 -0.0177 -0.0117 33  ARG A O   
198  C CB  . ARG A 16  ? 0.2092 0.1655 0.1405 -0.0043 -0.0033 -0.0056 33  ARG A CB  
199  C CG  . ARG A 16  ? 0.2280 0.1881 0.1644 -0.0063 0.0051  -0.0028 33  ARG A CG  
200  C CD  . ARG A 16  ? 0.2629 0.2176 0.1865 -0.0095 0.0181  -0.0001 33  ARG A CD  
201  N NE  . ARG A 16  ? 0.2320 0.1998 0.1667 -0.0063 0.0259  -0.0032 33  ARG A NE  
202  C CZ  . ARG A 16  ? 0.2530 0.2222 0.1862 -0.0063 0.0385  -0.0030 33  ARG A CZ  
203  N NH1 . ARG A 16  ? 0.3121 0.2717 0.2316 -0.0106 0.0477  0.0000  33  ARG A NH1 
204  N NH2 . ARG A 16  ? 0.2720 0.2517 0.2176 -0.0020 0.0422  -0.0059 33  ARG A NH2 
218  N N   . GLU A 17  ? 0.1714 0.1517 0.1438 0.0031  -0.0274 -0.0163 34  GLU A N   
219  C CA  . GLU A 17  ? 0.1780 0.1615 0.1582 0.0029  -0.0368 -0.0186 34  GLU A CA  
220  C C   . GLU A 17  ? 0.1737 0.1634 0.1520 -0.0012 -0.0304 -0.0195 34  GLU A C   
221  O O   . GLU A 17  ? 0.1876 0.1697 0.1589 -0.0042 -0.0380 -0.0189 34  GLU A O   
222  C CB  . GLU A 17  ? 0.1787 0.1797 0.1885 0.0077  -0.0421 -0.0242 34  GLU A CB  
223  C CG  . GLU A 17  ? 0.2110 0.2017 0.2236 0.0129  -0.0536 -0.0238 34  GLU A CG  
224  C CD  . GLU A 17  ? 0.1895 0.1806 0.2039 0.0159  -0.0471 -0.0249 34  GLU A CD  
225  O OE1 . GLU A 17  ? 0.1897 0.1814 0.1941 0.0126  -0.0355 -0.0230 34  GLU A OE1 
226  O OE2 . GLU A 17  ? 0.2114 0.1985 0.2361 0.0218  -0.0562 -0.0273 34  GLU A OE2 
233  N N   . ASP A 18  ? 0.1533 0.1540 0.1365 -0.0016 -0.0186 -0.0206 35  ASP A N   
234  C CA  . ASP A 18  ? 0.1559 0.1607 0.1377 -0.0056 -0.0138 -0.0213 35  ASP A CA  
235  C C   . ASP A 18  ? 0.1571 0.1487 0.1186 -0.0062 -0.0070 -0.0185 35  ASP A C   
236  O O   . ASP A 18  ? 0.1617 0.1546 0.1215 -0.0082 -0.0026 -0.0188 35  ASP A O   
237  C CB  . ASP A 18  ? 0.1383 0.1612 0.1368 -0.0065 -0.0070 -0.0245 35  ASP A CB  
238  C CG  . ASP A 18  ? 0.1370 0.1761 0.1587 -0.0064 -0.0105 -0.0291 35  ASP A CG  
239  O OD1 . ASP A 18  ? 0.1551 0.1937 0.1838 -0.0070 -0.0204 -0.0293 35  ASP A OD1 
240  O OD2 . ASP A 18  ? 0.1355 0.1881 0.1695 -0.0057 -0.0034 -0.0330 35  ASP A OD2 
245  N N   . ARG A 19  ? 0.1760 0.1540 0.1222 -0.0046 -0.0059 -0.0160 36  ARG A N   
246  C CA  . ARG A 19  ? 0.1937 0.1621 0.1252 -0.0038 0.0033  -0.0147 36  ARG A CA  
247  C C   . ARG A 19  ? 0.1979 0.1556 0.1163 -0.0052 0.0032  -0.0161 36  ARG A C   
248  O O   . ARG A 19  ? 0.2128 0.1702 0.1306 -0.0032 0.0103  -0.0167 36  ARG A O   
249  C CB  . ARG A 19  ? 0.2209 0.1750 0.1355 -0.0038 0.0057  -0.0121 36  ARG A CB  
250  C CG  . ARG A 19  ? 0.2413 0.1903 0.1467 -0.0024 0.0189  -0.0117 36  ARG A CG  
251  C CD  . ARG A 19  ? 0.2698 0.2043 0.1562 -0.0048 0.0234  -0.0089 36  ARG A CD  
252  N NE  . ARG A 19  ? 0.3190 0.2518 0.2002 -0.0034 0.0392  -0.0096 36  ARG A NE  
253  C CZ  . ARG A 19  ? 0.3828 0.3025 0.2444 -0.0067 0.0484  -0.0077 36  ARG A CZ  
254  N NH1 . ARG A 19  ? 0.4034 0.3058 0.2436 -0.0119 0.0413  -0.0041 36  ARG A NH1 
255  N NH2 . ARG A 19  ? 0.4400 0.3631 0.3034 -0.0046 0.0654  -0.0096 36  ARG A NH2 
269  N N   . THR A 20  ? 0.2090 0.1562 0.1175 -0.0086 -0.0066 -0.0166 37  THR A N   
270  C CA  . THR A 20  ? 0.2263 0.1593 0.1195 -0.0110 -0.0085 -0.0180 37  THR A CA  
271  C C   . THR A 20  ? 0.2115 0.1563 0.1194 -0.0132 -0.0076 -0.0187 37  THR A C   
272  O O   . THR A 20  ? 0.2237 0.1584 0.1217 -0.0126 -0.0042 -0.0195 37  THR A O   
273  C CB  . THR A 20  ? 0.2502 0.1690 0.1308 -0.0156 -0.0224 -0.0179 37  THR A CB  
274  O OG1 . THR A 20  ? 0.2801 0.1833 0.1411 -0.0143 -0.0235 -0.0164 37  THR A OG1 
275  C CG2 . THR A 20  ? 0.2864 0.1860 0.1474 -0.0190 -0.0260 -0.0196 37  THR A CG2 
283  N N   . LEU A 21  ? 0.1891 0.1538 0.1194 -0.0157 -0.0100 -0.0187 38  LEU A N   
284  C CA  . LEU A 21  ? 0.1783 0.1535 0.1193 -0.0195 -0.0072 -0.0189 38  LEU A CA  
285  C C   . LEU A 21  ? 0.1793 0.1546 0.1186 -0.0153 0.0011  -0.0180 38  LEU A C   
286  O O   . LEU A 21  ? 0.1872 0.1565 0.1211 -0.0175 0.0019  -0.0171 38  LEU A O   
287  C CB  . LEU A 21  ? 0.1739 0.1706 0.1382 -0.0223 -0.0083 -0.0203 38  LEU A CB  
288  C CG  . LEU A 21  ? 0.2016 0.2101 0.1749 -0.0277 -0.0026 -0.0206 38  LEU A CG  
289  C CD1 . LEU A 21  ? 0.2364 0.2376 0.2035 -0.0366 -0.0060 -0.0192 38  LEU A CD1 
290  C CD2 . LEU A 21  ? 0.1969 0.2274 0.1934 -0.0281 -0.0002 -0.0239 38  LEU A CD2 
302  N N   . TYR A 22  ? 0.1568 0.1378 0.1011 -0.0099 0.0057  -0.0177 39  TYR A N   
303  C CA  . TYR A 22  ? 0.1624 0.1445 0.1090 -0.0060 0.0112  -0.0166 39  TYR A CA  
304  C C   . TYR A 22  ? 0.1821 0.1487 0.1162 -0.0024 0.0135  -0.0169 39  TYR A C   
305  O O   . TYR A 22  ? 0.1888 0.1526 0.1243 -0.0004 0.0139  -0.0163 39  TYR A O   
306  C CB  . TYR A 22  ? 0.1610 0.1513 0.1165 -0.0021 0.0149  -0.0160 39  TYR A CB  
307  C CG  . TYR A 22  ? 0.1382 0.1405 0.1049 -0.0038 0.0125  -0.0168 39  TYR A CG  
308  C CD1 . TYR A 22  ? 0.1326 0.1429 0.1055 -0.0076 0.0105  -0.0187 39  TYR A CD1 
309  C CD2 . TYR A 22  ? 0.1402 0.1448 0.1112 -0.0014 0.0134  -0.0161 39  TYR A CD2 
310  C CE1 . TYR A 22  ? 0.1288 0.1497 0.1131 -0.0071 0.0099  -0.0212 39  TYR A CE1 
311  C CE2 . TYR A 22  ? 0.1370 0.1491 0.1173 -0.0014 0.0106  -0.0176 39  TYR A CE2 
312  C CZ  . TYR A 22  ? 0.1199 0.1403 0.1073 -0.0032 0.0090  -0.0208 39  TYR A CZ  
313  O OH  . TYR A 22  ? 0.1235 0.1507 0.1210 -0.0015 0.0073  -0.0240 39  TYR A OH  
323  N N   . GLU A 23  ? 0.1884 0.1427 0.1088 -0.0009 0.0145  -0.0183 40  GLU A N   
324  C CA  . GLU A 23  ? 0.2083 0.1455 0.1144 0.0036  0.0183  -0.0204 40  GLU A CA  
325  C C   . GLU A 23  ? 0.2131 0.1384 0.1112 0.0004  0.0118  -0.0208 40  GLU A C   
326  O O   . GLU A 23  ? 0.2273 0.1427 0.1224 0.0052  0.0133  -0.0220 40  GLU A O   
327  C CB  . GLU A 23  ? 0.2251 0.1472 0.1111 0.0040  0.0208  -0.0222 40  GLU A CB  
328  C CG  . GLU A 23  ? 0.2304 0.1591 0.1200 0.0069  0.0301  -0.0214 40  GLU A CG  
329  C CD  . GLU A 23  ? 0.2604 0.1734 0.1265 0.0039  0.0301  -0.0213 40  GLU A CD  
330  O OE1 . GLU A 23  ? 0.2710 0.1715 0.1225 -0.0007 0.0192  -0.0214 40  GLU A OE1 
331  O OE2 . GLU A 23  ? 0.2767 0.1892 0.1387 0.0051  0.0403  -0.0207 40  GLU A OE2 
338  N N   . ARG A 24  ? 0.2160 0.1421 0.1126 -0.0081 0.0038  -0.0197 41  ARG A N   
339  C CA  . ARG A 24  ? 0.2257 0.1413 0.1155 -0.0140 -0.0024 -0.0190 41  ARG A CA  
340  C C   . ARG A 24  ? 0.2217 0.1437 0.1205 -0.0146 -0.0013 -0.0164 41  ARG A C   
341  O O   . ARG A 24  ? 0.2326 0.1386 0.1216 -0.0149 -0.0047 -0.0157 41  ARG A O   
342  C CB  . ARG A 24  ? 0.2305 0.1520 0.1243 -0.0245 -0.0099 -0.0180 41  ARG A CB  
343  C CG  . ARG A 24  ? 0.2587 0.1637 0.1368 -0.0266 -0.0171 -0.0199 41  ARG A CG  
344  C CD  . ARG A 24  ? 0.2618 0.1800 0.1540 -0.0357 -0.0258 -0.0189 41  ARG A CD  
345  N NE  . ARG A 24  ? 0.2782 0.2039 0.1808 -0.0458 -0.0280 -0.0170 41  ARG A NE  
346  C CZ  . ARG A 24  ? 0.2709 0.2178 0.1963 -0.0537 -0.0307 -0.0164 41  ARG A CZ  
347  N NH1 . ARG A 24  ? 0.2751 0.2373 0.2170 -0.0511 -0.0337 -0.0179 41  ARG A NH1 
348  N NH2 . ARG A 24  ? 0.3065 0.2587 0.2387 -0.0647 -0.0302 -0.0145 41  ARG A NH2 
362  N N   . ILE A 25  ? 0.1966 0.1385 0.1110 -0.0152 0.0018  -0.0150 42  ILE A N   
363  C CA  . ILE A 25  ? 0.2012 0.1456 0.1189 -0.0168 0.0014  -0.0124 42  ILE A CA  
364  C C   . ILE A 25  ? 0.2087 0.1432 0.1256 -0.0073 0.0012  -0.0123 42  ILE A C   
365  O O   . ILE A 25  ? 0.2230 0.1438 0.1324 -0.0079 -0.0041 -0.0102 42  ILE A O   
366  C CB  . ILE A 25  ? 0.1839 0.1483 0.1148 -0.0187 0.0048  -0.0121 42  ILE A CB  
367  C CG1 . ILE A 25  ? 0.1834 0.1587 0.1193 -0.0276 0.0053  -0.0131 42  ILE A CG1 
368  C CG2 . ILE A 25  ? 0.1951 0.1574 0.1241 -0.0196 0.0034  -0.0096 42  ILE A CG2 
369  C CD1 . ILE A 25  ? 0.1786 0.1729 0.1286 -0.0272 0.0096  -0.0152 42  ILE A CD1 
381  N N   . VAL A 26  ? 0.1961 0.1371 0.1219 0.0014  0.0067  -0.0145 43  VAL A N   
382  C CA  . VAL A 26  ? 0.2152 0.1520 0.1480 0.0112  0.0080  -0.0153 43  VAL A CA  
383  C C   . VAL A 26  ? 0.2147 0.1290 0.1339 0.0155  0.0058  -0.0178 43  VAL A C   
384  O O   . VAL A 26  ? 0.2420 0.1470 0.1643 0.0213  0.0012  -0.0175 43  VAL A O   
385  C CB  . VAL A 26  ? 0.2067 0.1573 0.1534 0.0174  0.0169  -0.0171 43  VAL A CB  
386  C CG1 . VAL A 26  ? 0.2443 0.1932 0.2025 0.0280  0.0210  -0.0195 43  VAL A CG1 
387  C CG2 . VAL A 26  ? 0.2209 0.1895 0.1814 0.0138  0.0160  -0.0144 43  VAL A CG2 
397  N N   . SER A 27  ? 0.2364 0.1392 0.1393 0.0131  0.0075  -0.0206 44  SER A N   
398  C CA  . SER A 27  ? 0.2608 0.1378 0.1465 0.0164  0.0044  -0.0237 44  SER A CA  
399  C C   . SER A 27  ? 0.2629 0.1262 0.1418 0.0110  -0.0066 -0.0199 44  SER A C   
400  O O   . SER A 27  ? 0.2882 0.1331 0.1626 0.0180  -0.0109 -0.0213 44  SER A O   
401  C CB  . SER A 27  ? 0.2759 0.1399 0.1412 0.0113  0.0041  -0.0263 44  SER A CB  
402  O OG  . SER A 27  ? 0.2779 0.1460 0.1416 0.0169  0.0143  -0.0300 44  SER A OG  
408  N N   . ARG A 28  ? 0.2590 0.1301 0.1369 -0.0016 -0.0109 -0.0151 45  ARG A N   
409  C CA  . ARG A 28  ? 0.2917 0.1480 0.1588 -0.0099 -0.0199 -0.0105 45  ARG A CA  
410  C C   . ARG A 28  ? 0.2873 0.1438 0.1618 -0.0049 -0.0239 -0.0073 45  ARG A C   
411  O O   . ARG A 28  ? 0.3084 0.1423 0.1722 -0.0038 -0.0330 -0.0051 45  ARG A O   
412  C CB  . ARG A 28  ? 0.2918 0.1584 0.1569 -0.0257 -0.0201 -0.0071 45  ARG A CB  
413  C CG  . ARG A 28  ? 0.3218 0.1731 0.1728 -0.0379 -0.0270 -0.0014 45  ARG A CG  
414  C CD  . ARG A 28  ? 0.3500 0.1675 0.1809 -0.0380 -0.0365 -0.0010 45  ARG A CD  
415  N NE  . ARG A 28  ? 0.3478 0.1578 0.1730 -0.0382 -0.0369 -0.0054 45  ARG A NE  
416  C CZ  . ARG A 28  ? 0.3593 0.1556 0.1719 -0.0513 -0.0430 -0.0037 45  ARG A CZ  
417  N NH1 . ARG A 28  ? 0.4080 0.1956 0.2117 -0.0661 -0.0477 0.0027  45  ARG A NH1 
418  N NH2 . ARG A 28  ? 0.3832 0.1722 0.1899 -0.0506 -0.0449 -0.0081 45  ARG A NH2 
432  N N   . LEU A 29  ? 0.2642 0.1432 0.1559 -0.0019 -0.0192 -0.0069 46  LEU A N   
433  C CA  . LEU A 29  ? 0.2651 0.1434 0.1644 0.0027  -0.0256 -0.0039 46  LEU A CA  
434  C C   . LEU A 29  ? 0.2727 0.1382 0.1799 0.0171  -0.0300 -0.0066 46  LEU A C   
435  O O   . LEU A 29  ? 0.3007 0.1516 0.2061 0.0199  -0.0417 -0.0033 46  LEU A O   
436  C CB  . LEU A 29  ? 0.2513 0.1548 0.1686 0.0040  -0.0204 -0.0040 46  LEU A CB  
437  C CG  . LEU A 29  ? 0.2415 0.1576 0.1537 -0.0080 -0.0165 -0.0023 46  LEU A CG  
438  C CD1 . LEU A 29  ? 0.2297 0.1662 0.1588 -0.0046 -0.0127 -0.0033 46  LEU A CD1 
439  C CD2 . LEU A 29  ? 0.2816 0.1836 0.1740 -0.0196 -0.0227 0.0026  46  LEU A CD2 
451  N N   . ARG A 30  ? 0.2798 0.1497 0.1954 0.0268  -0.0208 -0.0129 47  ARG A N   
452  C CA  . ARG A 30  ? 0.2992 0.1592 0.2253 0.0419  -0.0216 -0.0175 47  ARG A CA  
453  C C   . ARG A 30  ? 0.3468 0.1734 0.2528 0.0427  -0.0332 -0.0171 47  ARG A C   
454  O O   . ARG A 30  ? 0.3698 0.1849 0.2861 0.0556  -0.0394 -0.0194 47  ARG A O   
455  C CB  . ARG A 30  ? 0.3242 0.1913 0.2550 0.0498  -0.0064 -0.0251 47  ARG A CB  
456  C CG  . ARG A 30  ? 0.3266 0.2230 0.2792 0.0514  0.0051  -0.0257 47  ARG A CG  
457  C CD  . ARG A 30  ? 0.4486 0.3471 0.4029 0.0596  0.0211  -0.0332 47  ARG A CD  
458  N NE  . ARG A 30  ? 0.5390 0.4599 0.5025 0.0555  0.0321  -0.0323 47  ARG A NE  
459  C CZ  . ARG A 30  ? 0.6607 0.6048 0.6529 0.0587  0.0367  -0.0311 47  ARG A CZ  
460  N NH1 . ARG A 30  ? 0.5825 0.5334 0.6004 0.0666  0.0303  -0.0307 47  ARG A NH1 
461  N NH2 . ARG A 30  ? 0.6080 0.5676 0.6035 0.0534  0.0460  -0.0299 47  ARG A NH2 
475  N N   . ARG A 31  ? 0.3444 0.1550 0.2243 0.0293  -0.0371 -0.0141 48  ARG A N   
476  C CA  . ARG A 31  ? 0.3998 0.1758 0.2585 0.0276  -0.0498 -0.0124 48  ARG A CA  
477  C C   . ARG A 31  ? 0.3842 0.1487 0.2416 0.0259  -0.0645 -0.0052 48  ARG A C   
478  O O   . ARG A 31  ? 0.4544 0.1884 0.2998 0.0298  -0.0773 -0.0040 48  ARG A O   
479  C CB  . ARG A 31  ? 0.3961 0.1597 0.2294 0.0100  -0.0517 -0.0092 48  ARG A CB  
480  C CG  . ARG A 31  ? 0.4508 0.2228 0.2801 0.0065  -0.0419 -0.0140 48  ARG A CG  
481  C CD  . ARG A 31  ? 0.4563 0.1982 0.2662 0.0106  -0.0451 -0.0196 48  ARG A CD  
482  N NE  . ARG A 31  ? 0.4054 0.1508 0.2063 0.0050  -0.0392 -0.0233 48  ARG A NE  
483  C CZ  . ARG A 31  ? 0.4060 0.1362 0.1885 -0.0091 -0.0464 -0.0213 48  ARG A CZ  
484  N NH1 . ARG A 31  ? 0.4571 0.1695 0.2278 -0.0209 -0.0574 -0.0152 48  ARG A NH1 
485  N NH2 . ARG A 31  ? 0.4123 0.1449 0.1879 -0.0128 -0.0434 -0.0249 48  ARG A NH2 
499  N N   . PHE A 32  ? 0.3213 0.2488 0.2130 0.0161  -0.0950 0.0366  49  PHE A N   
500  C CA  . PHE A 32  ? 0.3654 0.2604 0.2380 0.0006  -0.1140 0.0512  49  PHE A CA  
501  C C   . PHE A 32  ? 0.3645 0.2438 0.2482 0.0058  -0.1246 0.0385  49  PHE A C   
502  O O   . PHE A 32  ? 0.4267 0.2699 0.3055 -0.0081 -0.1617 0.0486  49  PHE A O   
503  C CB  . PHE A 32  ? 0.4026 0.3051 0.2377 -0.0165 -0.0857 0.0698  49  PHE A CB  
504  C CG  . PHE A 32  ? 0.4233 0.3407 0.2581 -0.0278 -0.0808 0.0822  49  PHE A CG  
505  C CD1 . PHE A 32  ? 0.5053 0.3988 0.3285 -0.0495 -0.1121 0.0960  49  PHE A CD1 
506  C CD2 . PHE A 32  ? 0.4602 0.4126 0.3149 -0.0183 -0.0516 0.0814  49  PHE A CD2 
507  C CE1 . PHE A 32  ? 0.5440 0.4541 0.3709 -0.0630 -0.1066 0.1061  49  PHE A CE1 
508  C CE2 . PHE A 32  ? 0.3830 0.3535 0.2515 -0.0286 -0.0500 0.0900  49  PHE A CE2 
509  C CZ  . PHE A 32  ? 0.4992 0.4514 0.3515 -0.0515 -0.0738 0.1008  49  PHE A CZ  
519  N N   . GLY A 33  ? 0.3354 0.2384 0.2335 0.0209  -0.0977 0.0198  50  GLY A N   
520  C CA  . GLY A 33  ? 0.3380 0.2309 0.2510 0.0240  -0.1044 0.0070  50  GLY A CA  
521  C C   . GLY A 33  ? 0.3121 0.2369 0.2455 0.0358  -0.0727 -0.0167 50  GLY A C   
522  O O   . GLY A 33  ? 0.3654 0.3158 0.2953 0.0377  -0.0515 -0.0218 50  GLY A O   
526  N N   . THR A 34  ? 0.3308 0.2518 0.2802 0.0373  -0.0728 -0.0289 51  THR A N   
527  C CA  . THR A 34  ? 0.3085 0.2582 0.2744 0.0403  -0.0422 -0.0507 51  THR A CA  
528  C C   . THR A 34  ? 0.2900 0.2373 0.2115 0.0358  -0.0133 -0.0271 51  THR A C   
529  O O   . THR A 34  ? 0.3060 0.2322 0.2091 0.0324  -0.0157 -0.0157 51  THR A O   
530  C CB  . THR A 34  ? 0.3196 0.2667 0.3356 0.0432  -0.0588 -0.0756 51  THR A CB  
531  O OG1 . THR A 34  ? 0.3792 0.3315 0.4662 0.0511  -0.0888 -0.1064 51  THR A OG1 
532  C CG2 . THR A 34  ? 0.3872 0.3640 0.4138 0.0386  -0.0226 -0.0957 51  THR A CG2 
540  N N   . VAL A 35  ? 0.2874 0.2534 0.1940 0.0323  0.0099  -0.0211 52  VAL A N   
541  C CA  . VAL A 35  ? 0.2908 0.2496 0.1764 0.0299  0.0281  0.0008  52  VAL A CA  
542  C C   . VAL A 35  ? 0.2973 0.2598 0.1905 0.0225  0.0428  -0.0114 52  VAL A C   
543  O O   . VAL A 35  ? 0.3243 0.3072 0.2145 0.0082  0.0553  -0.0211 52  VAL A O   
544  C CB  . VAL A 35  ? 0.3122 0.2792 0.1818 0.0252  0.0312  0.0221  52  VAL A CB  
545  C CG1 . VAL A 35  ? 0.3322 0.2846 0.2028 0.0250  0.0387  0.0448  52  VAL A CG1 
546  C CG2 . VAL A 35  ? 0.3049 0.2722 0.1752 0.0313  0.0172  0.0313  52  VAL A CG2 
556  N N   . LEU A 36  ? 0.2985 0.2427 0.1963 0.0256  0.0432  -0.0126 53  LEU A N   
557  C CA  . LEU A 36  ? 0.3052 0.2514 0.2161 0.0180  0.0545  -0.0255 53  LEU A CA  
558  C C   . LEU A 36  ? 0.3232 0.2671 0.2192 0.0060  0.0714  -0.0067 53  LEU A C   
559  O O   . LEU A 36  ? 0.3373 0.2916 0.2365 -0.0109 0.0840  -0.0156 53  LEU A O   
560  C CB  . LEU A 36  ? 0.3111 0.2337 0.2229 0.0206  0.0472  -0.0294 53  LEU A CB  
561  C CG  . LEU A 36  ? 0.3151 0.2276 0.2311 0.0221  0.0175  -0.0384 53  LEU A CG  
562  C CD1 . LEU A 36  ? 0.3588 0.2438 0.2489 0.0128  0.0118  -0.0362 53  LEU A CD1 
563  C CD2 . LEU A 36  ? 0.3499 0.2809 0.3169 0.0238  0.0017  -0.0647 53  LEU A CD2 
575  N N   . THR A 37  ? 0.3298 0.2583 0.2162 0.0116  0.0678  0.0197  54  THR A N   
576  C CA  . THR A 37  ? 0.4262 0.3405 0.3071 0.0018  0.0658  0.0488  54  THR A CA  
577  C C   . THR A 37  ? 0.5021 0.3877 0.4105 0.0093  0.0681  0.0534  54  THR A C   
578  O O   . THR A 37  ? 0.3889 0.2687 0.3159 0.0245  0.0733  0.0374  54  THR A O   
579  C CB  . THR A 37  ? 0.4831 0.4101 0.3333 -0.0287 0.0705  0.0553  54  THR A CB  
580  O OG1 . THR A 37  ? 0.5135 0.4672 0.3431 -0.0353 0.0692  0.0464  54  THR A OG1 
581  C CG2 . THR A 37  ? 0.4683 0.3662 0.3064 -0.0453 0.0545  0.0967  54  THR A CG2 
589  N N   . GLY A 54  ? 0.9775 0.7413 0.7882 -0.4107 0.1225  0.1613  71  GLY A N   
590  C CA  . GLY A 54  ? 1.0976 0.8039 0.9701 -0.3878 0.1031  0.1690  71  GLY A CA  
591  C C   . GLY A 54  ? 0.9813 0.6160 0.8754 -0.3528 0.0578  0.2071  71  GLY A C   
592  O O   . GLY A 54  ? 0.9498 0.5405 0.9054 -0.3175 0.0452  0.1957  71  GLY A O   
595  N N   . GLY A 55  ? 0.5021 0.5434 0.7467 -0.0178 0.1641  0.0849  72  GLY A N   
596  C CA  . GLY A 55  ? 0.3552 0.3703 0.5726 -0.0203 0.1578  0.0837  72  GLY A CA  
597  C C   . GLY A 55  ? 0.2750 0.2844 0.4827 -0.0190 0.1428  0.0665  72  GLY A C   
598  O O   . GLY A 55  ? 0.2616 0.2811 0.4564 -0.0098 0.1397  0.0558  72  GLY A O   
602  N N   . ASP A 56  ? 0.2635 0.2526 0.4676 -0.0253 0.1259  0.0598  73  ASP A N   
603  C CA  . ASP A 56  ? 0.2343 0.2150 0.4149 -0.0208 0.1055  0.0396  73  ASP A CA  
604  C C   . ASP A 56  ? 0.2035 0.2020 0.4109 -0.0250 0.0901  0.0260  73  ASP A C   
605  O O   . ASP A 56  ? 0.1795 0.1795 0.3643 -0.0184 0.0790  0.0126  73  ASP A O   
606  C CB  . ASP A 56  ? 0.2732 0.2282 0.4444 -0.0242 0.0942  0.0355  73  ASP A CB  
607  C CG  . ASP A 56  ? 0.2791 0.2158 0.4149 -0.0169 0.1038  0.0477  73  ASP A CG  
608  O OD1 . ASP A 56  ? 0.3326 0.2744 0.4425 -0.0091 0.1175  0.0563  73  ASP A OD1 
609  O OD2 . ASP A 56  ? 0.3255 0.2416 0.4580 -0.0181 0.0960  0.0473  73  ASP A OD2 
614  N N   . ARG A 57  ? 0.2034 0.2159 0.4592 -0.0365 0.0879  0.0303  74  ARG A N   
615  C CA  . ARG A 57  ? 0.1845 0.2154 0.4661 -0.0408 0.0702  0.0187  74  ARG A CA  
616  C C   . ARG A 57  ? 0.1710 0.2219 0.4443 -0.0288 0.0756  0.0188  74  ARG A C   
617  O O   . ARG A 57  ? 0.1656 0.2213 0.4289 -0.0255 0.0591  0.0066  74  ARG A O   
618  C CB  . ARG A 57  ? 0.2092 0.2546 0.5504 -0.0561 0.0670  0.0261  74  ARG A CB  
619  C CG  . ARG A 57  ? 0.2075 0.2730 0.5792 -0.0621 0.0448  0.0153  74  ARG A CG  
620  C CD  . ARG A 57  ? 0.2426 0.2902 0.5843 -0.0633 0.0194  -0.0067 74  ARG A CD  
621  N NE  . ARG A 57  ? 0.2998 0.3633 0.6682 -0.0715 -0.0054 -0.0167 74  ARG A NE  
622  C CZ  . ARG A 57  ? 0.3775 0.4270 0.7254 -0.0758 -0.0294 -0.0362 74  ARG A CZ  
623  N NH1 . ARG A 57  ? 0.3369 0.3583 0.6412 -0.0716 -0.0298 -0.0484 74  ARG A NH1 
624  N NH2 . ARG A 57  ? 0.3975 0.4610 0.7616 -0.0818 -0.0524 -0.0429 74  ARG A NH2 
638  N N   . LEU A 58  ? 0.1750 0.2373 0.4538 -0.0220 0.0993  0.0330  75  LEU A N   
639  C CA  . LEU A 58  ? 0.1669 0.2451 0.4405 -0.0091 0.1055  0.0319  75  LEU A CA  
640  C C   . LEU A 58  ? 0.1742 0.2334 0.3926 0.0018  0.0994  0.0208  75  LEU A C   
641  O O   . LEU A 58  ? 0.1845 0.2507 0.3979 0.0087  0.0904  0.0138  75  LEU A O   
642  C CB  . LEU A 58  ? 0.2081 0.2949 0.4846 -0.0018 0.1301  0.0457  75  LEU A CB  
643  C CG  . LEU A 58  ? 0.3326 0.4235 0.5870 0.0142  0.1367  0.0422  75  LEU A CG  
644  C CD1 . LEU A 58  ? 0.3420 0.4586 0.6404 0.0145  0.1261  0.0409  75  LEU A CD1 
645  C CD2 . LEU A 58  ? 0.4585 0.5437 0.6887 0.0220  0.1582  0.0508  75  LEU A CD2 
657  N N   . ILE A 59  ? 0.1818 0.2177 0.3615 0.0031  0.1035  0.0207  76  ILE A N   
658  C CA  . ILE A 59  ? 0.1728 0.1925 0.3065 0.0109  0.0958  0.0108  76  ILE A CA  
659  C C   . ILE A 59  ? 0.1680 0.1885 0.3018 0.0072  0.0731  -0.0023 76  ILE A C   
660  O O   . ILE A 59  ? 0.1697 0.1917 0.2868 0.0135  0.0662  -0.0083 76  ILE A O   
661  C CB  . ILE A 59  ? 0.2194 0.2169 0.3209 0.0111  0.1004  0.0142  76  ILE A CB  
662  C CG1 . ILE A 59  ? 0.2454 0.2398 0.3320 0.0170  0.1226  0.0272  76  ILE A CG1 
663  C CG2 . ILE A 59  ? 0.2372 0.2216 0.3019 0.0162  0.0886  0.0037  76  ILE A CG2 
664  C CD1 . ILE A 59  ? 0.3044 0.2783 0.3641 0.0160  0.1255  0.0347  76  ILE A CD1 
676  N N   . HIS A 60  ? 0.1529 0.1708 0.3037 -0.0033 0.0614  -0.0069 77  HIS A N   
677  C CA  . HIS A 60  ? 0.1524 0.1695 0.2968 -0.0067 0.0408  -0.0207 77  HIS A CA  
678  C C   . HIS A 60  ? 0.1456 0.1826 0.3082 -0.0058 0.0307  -0.0218 77  HIS A C   
679  O O   . HIS A 60  ? 0.1494 0.1861 0.2899 -0.0018 0.0199  -0.0283 77  HIS A O   
680  C CB  . HIS A 60  ? 0.1642 0.1730 0.3264 -0.0180 0.0308  -0.0270 77  HIS A CB  
681  C CG  . HIS A 60  ? 0.1704 0.1771 0.3224 -0.0217 0.0105  -0.0430 77  HIS A CG  
682  N ND1 . HIS A 60  ? 0.1872 0.2086 0.3615 -0.0281 -0.0056 -0.0476 77  HIS A ND1 
683  C CD2 . HIS A 60  ? 0.1744 0.1667 0.2951 -0.0194 0.0041  -0.0554 77  HIS A CD2 
684  C CE1 . HIS A 60  ? 0.2026 0.2164 0.3530 -0.0297 -0.0214 -0.0627 77  HIS A CE1 
685  N NE2 . HIS A 60  ? 0.1893 0.1860 0.3078 -0.0241 -0.0139 -0.0678 77  HIS A NE2 
694  N N   . GLU A 61  ? 0.1442 0.1997 0.3497 -0.0096 0.0340  -0.0138 78  GLU A N   
695  C CA  . GLU A 61  ? 0.1409 0.2177 0.3711 -0.0085 0.0215  -0.0137 78  GLU A CA  
696  C C   . GLU A 61  ? 0.1583 0.2383 0.3717 0.0056  0.0286  -0.0101 78  GLU A C   
697  O O   . GLU A 61  ? 0.1459 0.2305 0.3526 0.0087  0.0132  -0.0134 78  GLU A O   
698  C CB  . GLU A 61  ? 0.1540 0.2538 0.4422 -0.0158 0.0239  -0.0046 78  GLU A CB  
699  C CG  . GLU A 61  ? 0.1671 0.2608 0.4759 -0.0318 0.0132  -0.0089 78  GLU A CG  
700  C CD  . GLU A 61  ? 0.2083 0.2975 0.5060 -0.0386 -0.0160 -0.0243 78  GLU A CD  
701  O OE1 . GLU A 61  ? 0.3069 0.4165 0.6322 -0.0416 -0.0333 -0.0243 78  GLU A OE1 
702  O OE2 . GLU A 61  ? 0.2092 0.2751 0.4688 -0.0397 -0.0214 -0.0363 78  GLU A OE2 
709  N N   . GLN A 62  ? 0.1365 0.2120 0.3410 0.0142  0.0512  -0.0033 79  GLN A N   
710  C CA  . GLN A 62  ? 0.1473 0.2206 0.3346 0.0279  0.0576  -0.0024 79  GLN A CA  
711  C C   . GLN A 62  ? 0.1562 0.2100 0.2984 0.0299  0.0466  -0.0104 79  GLN A C   
712  O O   . GLN A 62  ? 0.1674 0.2216 0.3030 0.0362  0.0382  -0.0111 79  GLN A O   
713  C CB  . GLN A 62  ? 0.1947 0.2648 0.3769 0.0370  0.0841  0.0040  79  GLN A CB  
714  C CG  . GLN A 62  ? 0.3721 0.4218 0.5192 0.0352  0.0957  0.0045  79  GLN A CG  
715  C CD  . GLN A 62  ? 0.4449 0.4929 0.5845 0.0419  0.1196  0.0125  79  GLN A CD  
716  O OE1 . GLN A 62  ? 0.4439 0.4733 0.5477 0.0416  0.1258  0.0139  79  GLN A OE1 
717  N NE2 . GLN A 62  ? 0.3649 0.4291 0.5302 0.0462  0.1264  0.0174  79  GLN A NE2 
726  N N   . ASP A 63  ? 0.1501 0.1877 0.2648 0.0245  0.0464  -0.0149 80  ASP A N   
727  C CA  . ASP A 63  ? 0.1614 0.1848 0.2393 0.0256  0.0376  -0.0212 80  ASP A CA  
728  C C   . ASP A 63  ? 0.1615 0.1919 0.2405 0.0212  0.0181  -0.0258 80  ASP A C   
729  O O   . ASP A 63  ? 0.1784 0.2041 0.2370 0.0247  0.0115  -0.0260 80  ASP A O   
730  C CB  . ASP A 63  ? 0.1614 0.1703 0.2180 0.0213  0.0406  -0.0247 80  ASP A CB  
731  C CG  . ASP A 63  ? 0.1785 0.1759 0.2187 0.0266  0.0560  -0.0199 80  ASP A CG  
732  O OD1 . ASP A 63  ? 0.2134 0.2112 0.2524 0.0340  0.0665  -0.0159 80  ASP A OD1 
733  O OD2 . ASP A 63  ? 0.2012 0.1876 0.2276 0.0237  0.0569  -0.0207 80  ASP A OD2 
738  N N   . LEU A 64  ? 0.1567 0.1970 0.2577 0.0129  0.0078  -0.0288 81  LEU A N   
739  C CA  . LEU A 64  ? 0.1483 0.1939 0.2430 0.0088  -0.0123 -0.0339 81  LEU A CA  
740  C C   . LEU A 64  ? 0.1739 0.2320 0.2818 0.0148  -0.0206 -0.0264 81  LEU A C   
741  O O   . LEU A 64  ? 0.1807 0.2375 0.2681 0.0151  -0.0342 -0.0267 81  LEU A O   
742  C CB  . LEU A 64  ? 0.1757 0.2264 0.2895 -0.0020 -0.0241 -0.0411 81  LEU A CB  
743  C CG  . LEU A 64  ? 0.2389 0.2733 0.3250 -0.0070 -0.0264 -0.0534 81  LEU A CG  
744  C CD1 . LEU A 64  ? 0.2749 0.3070 0.3258 -0.0062 -0.0390 -0.0598 81  LEU A CD1 
745  C CD2 . LEU A 64  ? 0.2488 0.2684 0.3189 -0.0029 -0.0087 -0.0522 81  LEU A CD2 
757  N N   . GLU A 65  ? 0.1469 0.2172 0.2892 0.0203  -0.0121 -0.0187 82  GLU A N   
758  C CA  . GLU A 65  ? 0.1552 0.2358 0.3134 0.0291  -0.0182 -0.0110 82  GLU A CA  
759  C C   . GLU A 65  ? 0.1734 0.2360 0.2974 0.0376  -0.0138 -0.0094 82  GLU A C   
760  O O   . GLU A 65  ? 0.1756 0.2372 0.2906 0.0403  -0.0276 -0.0052 82  GLU A O   
761  C CB  . GLU A 65  ? 0.1650 0.2628 0.3689 0.0354  -0.0047 -0.0038 82  GLU A CB  
762  C CG  . GLU A 65  ? 0.1801 0.3017 0.4311 0.0260  -0.0147 -0.0019 82  GLU A CG  
763  C CD  . GLU A 65  ? 0.2780 0.4152 0.5714 0.0278  0.0067  0.0050  82  GLU A CD  
764  O OE1 . GLU A 65  ? 0.2169 0.3468 0.5005 0.0385  0.0302  0.0078  82  GLU A OE1 
765  O OE2 . GLU A 65  ? 0.3693 0.5267 0.7067 0.0182  -0.0001 0.0079  82  GLU A OE2 
772  N N   . TRP A 66  ? 0.1490 0.1961 0.2533 0.0412  0.0040  -0.0117 83  TRP A N   
773  C CA  . TRP A 66  ? 0.1708 0.1991 0.2454 0.0474  0.0070  -0.0112 83  TRP A CA  
774  C C   . TRP A 66  ? 0.1721 0.1920 0.2152 0.0403  -0.0054 -0.0131 83  TRP A C   
775  O O   . TRP A 66  ? 0.1823 0.1931 0.2110 0.0432  -0.0112 -0.0084 83  TRP A O   
776  C CB  . TRP A 66  ? 0.1802 0.1941 0.2386 0.0509  0.0256  -0.0146 83  TRP A CB  
777  C CG  . TRP A 66  ? 0.2011 0.2197 0.2810 0.0607  0.0416  -0.0123 83  TRP A CG  
778  C CD1 . TRP A 66  ? 0.2179 0.2461 0.3260 0.0708  0.0428  -0.0080 83  TRP A CD1 
779  C CD2 . TRP A 66  ? 0.2249 0.2391 0.2990 0.0625  0.0607  -0.0135 83  TRP A CD2 
780  N NE1 . TRP A 66  ? 0.2248 0.2559 0.3454 0.0794  0.0639  -0.0078 83  TRP A NE1 
781  C CE2 . TRP A 66  ? 0.2797 0.3019 0.3770 0.0739  0.0752  -0.0106 83  TRP A CE2 
782  C CE3 . TRP A 66  ? 0.2516 0.2559 0.3029 0.0565  0.0669  -0.0157 83  TRP A CE3 
783  C CZ2 . TRP A 66  ? 0.2962 0.3167 0.3845 0.0742  0.0915  -0.0098 83  TRP A CZ2 
784  C CZ3 . TRP A 66  ? 0.3034 0.3050 0.3507 0.0601  0.0851  -0.0134 83  TRP A CZ3 
785  C CH2 . TRP A 66  ? 0.3551 0.3649 0.4172 0.0666  0.0949  -0.0103 83  TRP A CH2 
796  N N   . LEU A 67  ? 0.1738 0.1959 0.2069 0.0313  -0.0078 -0.0194 84  LEU A N   
797  C CA  A LEU A 67  ? 0.1857 0.2025 0.1893 0.0257  -0.0158 -0.0218 84  LEU A CA  
798  C CA  B LEU A 67  ? 0.1854 0.2023 0.1889 0.0256  -0.0159 -0.0219 84  LEU A CA  
799  C C   . LEU A 67  ? 0.1986 0.2225 0.1993 0.0250  -0.0326 -0.0161 84  LEU A C   
800  O O   . LEU A 67  ? 0.2462 0.2631 0.2226 0.0243  -0.0363 -0.0114 84  LEU A O   
801  C CB  A LEU A 67  ? 0.2045 0.2227 0.2034 0.0185  -0.0148 -0.0314 84  LEU A CB  
802  C CB  B LEU A 67  ? 0.2039 0.2224 0.2018 0.0182  -0.0157 -0.0316 84  LEU A CB  
803  C CG  A LEU A 67  ? 0.2142 0.2259 0.1833 0.0149  -0.0144 -0.0364 84  LEU A CG  
804  C CG  B LEU A 67  ? 0.2056 0.2151 0.2006 0.0181  -0.0018 -0.0358 84  LEU A CG  
805  C CD1 A LEU A 67  ? 0.2221 0.2232 0.1785 0.0177  -0.0035 -0.0336 84  LEU A CD1 
806  C CD1 B LEU A 67  ? 0.2371 0.2466 0.2350 0.0122  -0.0029 -0.0447 84  LEU A CD1 
807  C CD2 A LEU A 67  ? 0.2168 0.2287 0.1877 0.0101  -0.0140 -0.0475 84  LEU A CD2 
808  C CD2 B LEU A 67  ? 0.2732 0.2728 0.2426 0.0193  0.0025  -0.0348 84  LEU A CD2 
829  N N   . GLN A 68  ? 0.2111 0.2495 0.2375 0.0247  -0.0437 -0.0149 85  GLN A N   
830  C CA  . GLN A 68  ? 0.2207 0.2664 0.2440 0.0245  -0.0631 -0.0079 85  GLN A CA  
831  C C   . GLN A 68  ? 0.2202 0.2606 0.2502 0.0339  -0.0640 0.0048  85  GLN A C   
832  O O   . GLN A 68  ? 0.2567 0.2955 0.2719 0.0342  -0.0779 0.0140  85  GLN A O   
833  C CB  . GLN A 68  ? 0.2623 0.3263 0.3160 0.0208  -0.0778 -0.0100 85  GLN A CB  
834  C CG  . GLN A 68  ? 0.2666 0.3307 0.3099 0.0104  -0.0811 -0.0238 85  GLN A CG  
835  C CD  . GLN A 68  ? 0.3025 0.3829 0.3846 0.0049  -0.0936 -0.0270 85  GLN A CD  
836  O OE1 . GLN A 68  ? 0.3483 0.4397 0.4361 0.0020  -0.1161 -0.0249 85  GLN A OE1 
837  N NE2 . GLN A 68  ? 0.3142 0.3965 0.4243 0.0026  -0.0800 -0.0306 85  GLN A NE2 
846  N N   . GLN A 69  ? 0.2064 0.2421 0.2568 0.0423  -0.0496 0.0057  86  GLN A N   
847  C CA  . GLN A 69  ? 0.1994 0.2249 0.2564 0.0528  -0.0492 0.0150  86  GLN A CA  
848  C C   . GLN A 69  ? 0.2221 0.2248 0.2461 0.0516  -0.0441 0.0168  86  GLN A C   
849  O O   . GLN A 69  ? 0.2430 0.2330 0.2669 0.0577  -0.0486 0.0259  86  GLN A O   
850  C CB  . GLN A 69  ? 0.2011 0.2283 0.2889 0.0634  -0.0333 0.0125  86  GLN A CB  
851  C CG  . GLN A 69  ? 0.1891 0.2419 0.3206 0.0657  -0.0372 0.0145  86  GLN A CG  
852  C CD  . GLN A 69  ? 0.2094 0.2667 0.3675 0.0743  -0.0154 0.0112  86  GLN A CD  
853  O OE1 . GLN A 69  ? 0.2414 0.2799 0.3824 0.0812  0.0006  0.0074  86  GLN A OE1 
854  N NE2 . GLN A 69  ? 0.1929 0.2757 0.3930 0.0735  -0.0149 0.0131  86  GLN A NE2 
863  N N   . ALA A 70  ? 0.2017 0.1983 0.2019 0.0441  -0.0353 0.0092  87  ALA A N   
864  C CA  . ALA A 70  ? 0.2183 0.1958 0.1955 0.0423  -0.0295 0.0105  87  ALA A CA  
865  C C   . ALA A 70  ? 0.2220 0.1952 0.1799 0.0372  -0.0406 0.0219  87  ALA A C   
866  O O   . ALA A 70  ? 0.2568 0.2423 0.2033 0.0317  -0.0496 0.0245  87  ALA A O   
867  C CB  . ALA A 70  ? 0.2521 0.2286 0.2139 0.0356  -0.0190 0.0008  87  ALA A CB  
873  N N   . ASP A 71  ? 0.2367 0.1906 0.1892 0.0388  -0.0399 0.0289  88  ASP A N   
874  C CA  . ASP A 71  ? 0.2466 0.1943 0.1795 0.0317  -0.0467 0.0419  88  ASP A CA  
875  C C   . ASP A 71  ? 0.2564 0.2056 0.1691 0.0213  -0.0379 0.0383  88  ASP A C   
876  O O   . ASP A 71  ? 0.2810 0.2369 0.1749 0.0139  -0.0401 0.0467  88  ASP A O   
877  C CB  . ASP A 71  ? 0.2796 0.2043 0.2204 0.0367  -0.0510 0.0524  88  ASP A CB  
878  C CG  . ASP A 71  ? 0.2942 0.2200 0.2583 0.0487  -0.0604 0.0580  88  ASP A CG  
879  O OD1 . ASP A 71  ? 0.3231 0.2631 0.2856 0.0479  -0.0729 0.0677  88  ASP A OD1 
880  O OD2 . ASP A 71  ? 0.3181 0.2318 0.3021 0.0596  -0.0554 0.0524  88  ASP A OD2 
885  N N   . VAL A 72  ? 0.2321 0.1758 0.1484 0.0212  -0.0279 0.0273  89  VAL A N   
886  C CA  . VAL A 72  ? 0.2222 0.1700 0.1270 0.0128  -0.0203 0.0235  89  VAL A CA  
887  C C   . VAL A 72  ? 0.2130 0.1659 0.1237 0.0156  -0.0125 0.0090  89  VAL A C   
888  O O   . VAL A 72  ? 0.2176 0.1614 0.1378 0.0224  -0.0101 0.0032  89  VAL A O   
889  C CB  . VAL A 72  ? 0.2431 0.1740 0.1469 0.0073  -0.0200 0.0299  89  VAL A CB  
890  C CG1 . VAL A 72  ? 0.2599 0.2013 0.1585 -0.0016 -0.0130 0.0283  89  VAL A CG1 
891  C CG2 . VAL A 72  ? 0.2740 0.1954 0.1750 0.0047  -0.0281 0.0471  89  VAL A CG2 
901  N N   . VAL A 73  ? 0.2042 0.1708 0.1083 0.0113  -0.0076 0.0037  90  VAL A N   
902  C CA  . VAL A 73  ? 0.1974 0.1676 0.1063 0.0128  -0.0006 -0.0076 90  VAL A CA  
903  C C   . VAL A 73  ? 0.2001 0.1684 0.1060 0.0079  0.0035  -0.0072 90  VAL A C   
904  O O   . VAL A 73  ? 0.2315 0.2092 0.1322 0.0023  0.0055  -0.0026 90  VAL A O   
905  C CB  . VAL A 73  ? 0.2028 0.1874 0.1102 0.0122  0.0005  -0.0146 90  VAL A CB  
906  C CG1 . VAL A 73  ? 0.2118 0.1973 0.1259 0.0135  0.0074  -0.0240 90  VAL A CG1 
907  C CG2 . VAL A 73  ? 0.2094 0.1981 0.1242 0.0153  -0.0072 -0.0143 90  VAL A CG2 
917  N N   . VAL A 74  ? 0.2024 0.1599 0.1116 0.0099  0.0047  -0.0113 91  VAL A N   
918  C CA  . VAL A 74  ? 0.2025 0.1585 0.1126 0.0051  0.0047  -0.0111 91  VAL A CA  
919  C C   . VAL A 74  ? 0.1915 0.1522 0.1042 0.0084  0.0089  -0.0186 91  VAL A C   
920  O O   . VAL A 74  ? 0.2141 0.1670 0.1248 0.0139  0.0105  -0.0230 91  VAL A O   
921  C CB  . VAL A 74  ? 0.2116 0.1468 0.1190 0.0042  -0.0015 -0.0098 91  VAL A CB  
922  C CG1 . VAL A 74  ? 0.2268 0.1613 0.1373 -0.0021 -0.0053 -0.0099 91  VAL A CG1 
923  C CG2 . VAL A 74  ? 0.2404 0.1668 0.1478 0.0015  -0.0063 -0.0009 91  VAL A CG2 
933  N N   . ALA A 75  ? 0.1766 0.1500 0.0954 0.0056  0.0115  -0.0187 92  ALA A N   
934  C CA  . ALA A 75  ? 0.1716 0.1485 0.0956 0.0094  0.0144  -0.0240 92  ALA A CA  
935  C C   . ALA A 75  ? 0.1698 0.1511 0.1026 0.0063  0.0108  -0.0211 92  ALA A C   
936  O O   . ALA A 75  ? 0.1758 0.1699 0.1179 0.0012  0.0121  -0.0165 92  ALA A O   
937  C CB  . ALA A 75  ? 0.1771 0.1663 0.1051 0.0117  0.0208  -0.0291 92  ALA A CB  
943  N N   . GLU A 76  ? 0.1680 0.1409 0.0990 0.0091  0.0065  -0.0226 93  GLU A N   
944  C CA  . GLU A 76  ? 0.1677 0.1472 0.1105 0.0073  0.0003  -0.0197 93  GLU A CA  
945  C C   . GLU A 76  ? 0.1624 0.1523 0.1172 0.0135  0.0063  -0.0219 93  GLU A C   
946  O O   . GLU A 76  ? 0.1716 0.1516 0.1195 0.0189  0.0078  -0.0240 93  GLU A O   
947  C CB  . GLU A 76  ? 0.1867 0.1487 0.1160 0.0068  -0.0109 -0.0196 93  GLU A CB  
948  C CG  . GLU A 76  ? 0.1864 0.1531 0.1276 -0.0002 -0.0238 -0.0155 93  GLU A CG  
949  C CD  . GLU A 76  ? 0.1748 0.1618 0.1408 0.0016  -0.0248 -0.0117 93  GLU A CD  
950  O OE1 . GLU A 76  ? 0.1668 0.1579 0.1357 0.0095  -0.0174 -0.0132 93  GLU A OE1 
951  O OE2 . GLU A 76  ? 0.1782 0.1775 0.1650 -0.0049 -0.0339 -0.0068 93  GLU A OE2 
958  N N   . VAL A 77  ? 0.1371 0.1422 0.1237 -0.0166 0.0173  -0.0262 94  VAL A N   
959  C CA  . VAL A 77  ? 0.1311 0.1495 0.1284 -0.0136 0.0207  -0.0257 94  VAL A CA  
960  C C   . VAL A 77  ? 0.1227 0.1545 0.1396 -0.0152 0.0171  -0.0265 94  VAL A C   
961  O O   . VAL A 77  ? 0.1328 0.1749 0.1628 -0.0122 0.0209  -0.0276 94  VAL A O   
962  C CB  . VAL A 77  ? 0.1336 0.1526 0.1282 -0.0145 0.0292  -0.0248 94  VAL A CB  
963  C CG1 . VAL A 77  ? 0.1566 0.1637 0.1338 -0.0113 0.0288  -0.0229 94  VAL A CG1 
964  C CG2 . VAL A 77  ? 0.1465 0.1683 0.1472 -0.0231 0.0345  -0.0227 94  VAL A CG2 
974  N N   . THR A 78  ? 0.1228 0.1541 0.1420 -0.0189 0.0085  -0.0268 95  THR A N   
975  C CA  . THR A 78  ? 0.1129 0.1582 0.1535 -0.0202 0.0015  -0.0264 95  THR A CA  
976  C C   . THR A 78  ? 0.1139 0.1617 0.1559 -0.0130 -0.0041 -0.0245 95  THR A C   
977  O O   . THR A 78  ? 0.1194 0.1785 0.1826 -0.0091 -0.0053 -0.0241 95  THR A O   
978  C CB  . THR A 78  ? 0.1218 0.1636 0.1619 -0.0280 -0.0093 -0.0273 95  THR A CB  
979  O OG1 . THR A 78  ? 0.1340 0.1704 0.1748 -0.0364 -0.0048 -0.0277 95  THR A OG1 
980  C CG2 . THR A 78  ? 0.1379 0.1973 0.2045 -0.0296 -0.0191 -0.0257 95  THR A CG2 
988  N N   . GLN A 79  ? 0.1160 0.1532 0.1367 -0.0111 -0.0072 -0.0227 96  GLN A N   
989  C CA  . GLN A 79  ? 0.1192 0.1563 0.1389 -0.0070 -0.0126 -0.0179 96  GLN A CA  
990  C C   . GLN A 79  ? 0.1068 0.1420 0.1283 -0.0028 -0.0052 -0.0176 96  GLN A C   
991  O O   . GLN A 79  ? 0.1230 0.1535 0.1319 -0.0029 0.0014  -0.0185 96  GLN A O   
992  C CB  . GLN A 79  ? 0.1345 0.1639 0.1293 -0.0083 -0.0166 -0.0150 96  GLN A CB  
993  C CG  . GLN A 79  ? 0.1462 0.1748 0.1369 -0.0073 -0.0235 -0.0067 96  GLN A CG  
994  C CD  . GLN A 79  ? 0.1598 0.1918 0.1633 -0.0076 -0.0377 -0.0030 96  GLN A CD  
995  O OE1 . GLN A 79  ? 0.1913 0.2259 0.1958 -0.0108 -0.0454 -0.0060 96  GLN A OE1 
996  N NE2 . GLN A 79  ? 0.1890 0.2199 0.2043 -0.0042 -0.0435 0.0038  96  GLN A NE2 
1005 N N   . PRO A 80  ? 0.1080 0.1452 0.1452 0.0014  -0.0076 -0.0170 97  PRO A N   
1006 C CA  . PRO A 80  ? 0.1134 0.1445 0.1494 0.0043  -0.0026 -0.0187 97  PRO A CA  
1007 C C   . PRO A 80  ? 0.1137 0.1381 0.1350 0.0015  -0.0043 -0.0124 97  PRO A C   
1008 O O   . PRO A 80  ? 0.1302 0.1532 0.1461 -0.0006 -0.0106 -0.0050 97  PRO A O   
1009 C CB  . PRO A 80  ? 0.1263 0.1571 0.1821 0.0106  -0.0075 -0.0202 97  PRO A CB  
1010 C CG  . PRO A 80  ? 0.1151 0.1598 0.1891 0.0117  -0.0095 -0.0219 97  PRO A CG  
1011 C CD  . PRO A 80  ? 0.1124 0.1573 0.1723 0.0047  -0.0152 -0.0167 97  PRO A CD  
1019 N N   . SER A 81  ? 0.1106 0.1324 0.1259 0.0010  0.0011  -0.0145 98  SER A N   
1020 C CA  . SER A 81  ? 0.1057 0.1272 0.1130 -0.0023 0.0010  -0.0085 98  SER A CA  
1021 C C   . SER A 81  ? 0.1062 0.1241 0.1146 -0.0028 0.0020  -0.0113 98  SER A C   
1022 O O   . SER A 81  ? 0.1142 0.1317 0.1180 -0.0010 0.0062  -0.0173 98  SER A O   
1023 C CB  . SER A 81  ? 0.1169 0.1442 0.1125 -0.0026 0.0062  -0.0084 98  SER A CB  
1024 O OG  . SER A 81  ? 0.1151 0.1476 0.1084 -0.0036 0.0095  -0.0048 98  SER A OG  
1030 N N   . LEU A 82  ? 0.1061 0.1202 0.1190 -0.0067 -0.0034 -0.0059 99  LEU A N   
1031 C CA  . LEU A 82  ? 0.1086 0.1190 0.1224 -0.0090 -0.0057 -0.0084 99  LEU A CA  
1032 C C   . LEU A 82  ? 0.1026 0.1242 0.1125 -0.0094 -0.0015 -0.0072 99  LEU A C   
1033 O O   . LEU A 82  ? 0.1194 0.1385 0.1251 -0.0086 -0.0028 -0.0120 99  LEU A O   
1034 C CB  . LEU A 82  ? 0.1198 0.1244 0.1418 -0.0160 -0.0137 -0.0009 99  LEU A CB  
1035 C CG  . LEU A 82  ? 0.1279 0.1152 0.1554 -0.0148 -0.0213 -0.0016 99  LEU A CG  
1036 C CD1 . LEU A 82  ? 0.1580 0.1396 0.1925 -0.0246 -0.0291 0.0109  99  LEU A CD1 
1037 C CD2 . LEU A 82  ? 0.1568 0.1291 0.1828 -0.0095 -0.0238 -0.0154 99  LEU A CD2 
1049 N N   . GLY A 83  ? 0.1007 0.1345 0.1113 -0.0100 0.0030  -0.0007 100 GLY A N   
1050 C CA  . GLY A 83  ? 0.0951 0.1408 0.1072 -0.0079 0.0068  0.0002  100 GLY A CA  
1051 C C   . GLY A 83  ? 0.0973 0.1379 0.0999 -0.0017 0.0095  -0.0066 100 GLY A C   
1052 O O   . GLY A 83  ? 0.1120 0.1540 0.1152 0.0003  0.0074  -0.0074 100 GLY A O   
1056 N N   . VAL A 84  ? 0.1041 0.1380 0.0986 0.0003  0.0126  -0.0104 101 VAL A N   
1057 C CA  . VAL A 84  ? 0.1124 0.1390 0.0983 0.0033  0.0149  -0.0150 101 VAL A CA  
1058 C C   . VAL A 84  ? 0.1168 0.1365 0.0987 0.0019  0.0128  -0.0178 101 VAL A C   
1059 O O   . VAL A 84  ? 0.1337 0.1489 0.1077 0.0033  0.0121  -0.0177 101 VAL A O   
1060 C CB  . VAL A 84  ? 0.1179 0.1407 0.1003 0.0028  0.0170  -0.0177 101 VAL A CB  
1061 C CG1 . VAL A 84  ? 0.1405 0.1550 0.1163 0.0024  0.0192  -0.0206 101 VAL A CG1 
1062 C CG2 . VAL A 84  ? 0.1269 0.1531 0.1050 0.0043  0.0183  -0.0167 101 VAL A CG2 
1072 N N   . GLY A 85  ? 0.1174 0.1341 0.1022 0.0000  0.0112  -0.0206 102 GLY A N   
1073 C CA  . GLY A 85  ? 0.1345 0.1435 0.1106 -0.0003 0.0104  -0.0257 102 GLY A CA  
1074 C C   . GLY A 85  ? 0.1321 0.1394 0.1034 -0.0018 0.0031  -0.0241 102 GLY A C   
1075 O O   . GLY A 85  ? 0.1493 0.1504 0.1056 -0.0017 0.0021  -0.0257 102 GLY A O   
1079 N N   . TYR A 86  ? 0.1227 0.1368 0.1069 -0.0041 -0.0026 -0.0195 103 TYR A N   
1080 C CA  . TYR A 86  ? 0.1245 0.1418 0.1116 -0.0067 -0.0117 -0.0168 103 TYR A CA  
1081 C C   . TYR A 86  ? 0.1263 0.1493 0.1110 -0.0023 -0.0117 -0.0131 103 TYR A C   
1082 O O   . TYR A 86  ? 0.1396 0.1583 0.1159 -0.0026 -0.0198 -0.0129 103 TYR A O   
1083 C CB  . TYR A 86  ? 0.1256 0.1538 0.1327 -0.0119 -0.0155 -0.0104 103 TYR A CB  
1084 C CG  . TYR A 86  ? 0.1229 0.1600 0.1413 -0.0163 -0.0259 -0.0064 103 TYR A CG  
1085 C CD1 . TYR A 86  ? 0.1490 0.1745 0.1641 -0.0229 -0.0383 -0.0102 103 TYR A CD1 
1086 C CD2 . TYR A 86  ? 0.1222 0.1794 0.1560 -0.0133 -0.0243 0.0003  103 TYR A CD2 
1087 C CE1 . TYR A 86  ? 0.1539 0.1888 0.1817 -0.0285 -0.0509 -0.0062 103 TYR A CE1 
1088 C CE2 . TYR A 86  ? 0.1324 0.2028 0.1831 -0.0171 -0.0351 0.0048  103 TYR A CE2 
1089 C CZ  . TYR A 86  ? 0.1354 0.1952 0.1837 -0.0258 -0.0496 0.0023  103 TYR A CZ  
1090 O OH  . TYR A 86  ? 0.1531 0.2270 0.2204 -0.0311 -0.0632 0.0070  103 TYR A OH  
1100 N N   . GLU A 87  ? 0.1193 0.1497 0.1101 0.0023  -0.0043 -0.0103 104 GLU A N   
1101 C CA  . GLU A 87  ? 0.1232 0.1543 0.1124 0.0087  -0.0046 -0.0079 104 GLU A CA  
1102 C C   . GLU A 87  ? 0.1358 0.1498 0.1037 0.0085  -0.0062 -0.0092 104 GLU A C   
1103 O O   . GLU A 87  ? 0.1556 0.1655 0.1181 0.0110  -0.0137 -0.0055 104 GLU A O   
1104 C CB  . GLU A 87  ? 0.1253 0.1602 0.1184 0.0140  0.0043  -0.0084 104 GLU A CB  
1105 C CG  . GLU A 87  ? 0.1272 0.1818 0.1380 0.0155  0.0080  -0.0056 104 GLU A CG  
1106 C CD  . GLU A 87  ? 0.1310 0.1868 0.1375 0.0202  0.0176  -0.0084 104 GLU A CD  
1107 O OE1 . GLU A 87  ? 0.1493 0.1931 0.1430 0.0174  0.0196  -0.0117 104 GLU A OE1 
1108 O OE2 . GLU A 87  ? 0.1458 0.2157 0.1620 0.0268  0.0230  -0.0080 104 GLU A OE2 
1115 N N   . LEU A 88  ? 0.1489 0.1543 0.1055 0.0053  0.0006  -0.0132 105 LEU A N   
1116 C CA  . LEU A 88  ? 0.1653 0.1576 0.1012 0.0031  0.0025  -0.0132 105 LEU A CA  
1117 C C   . LEU A 88  ? 0.1820 0.1684 0.1019 0.0004  -0.0046 -0.0143 105 LEU A C   
1118 O O   . LEU A 88  ? 0.1965 0.1728 0.0973 -0.0003 -0.0084 -0.0100 105 LEU A O   
1119 C CB  . LEU A 88  ? 0.1660 0.1573 0.1004 0.0000  0.0130  -0.0171 105 LEU A CB  
1120 C CG  . LEU A 88  ? 0.1672 0.1589 0.1102 0.0008  0.0172  -0.0158 105 LEU A CG  
1121 C CD1 . LEU A 88  ? 0.1660 0.1625 0.1155 -0.0028 0.0243  -0.0196 105 LEU A CD1 
1122 C CD2 . LEU A 88  ? 0.1913 0.1698 0.1232 0.0007  0.0159  -0.0104 105 LEU A CD2 
1134 N N   . GLY A 89  ? 0.1788 0.1683 0.1034 -0.0017 -0.0083 -0.0197 106 GLY A N   
1135 C CA  . GLY A 89  ? 0.1951 0.1758 0.1014 -0.0046 -0.0175 -0.0231 106 GLY A CA  
1136 C C   . GLY A 89  ? 0.1966 0.1795 0.1043 -0.0042 -0.0323 -0.0161 106 GLY A C   
1137 O O   . GLY A 89  ? 0.2234 0.1957 0.1070 -0.0056 -0.0401 -0.0145 106 GLY A O   
1141 N N   . ARG A 90  ? 0.1778 0.1761 0.1142 -0.0020 -0.0364 -0.0113 107 ARG A N   
1142 C CA  . ARG A 90  ? 0.1736 0.1795 0.1198 0.0005  -0.0501 -0.0041 107 ARG A CA  
1143 C C   . ARG A 90  ? 0.1987 0.1952 0.1318 0.0066  -0.0502 0.0022  107 ARG A C   
1144 O O   . ARG A 90  ? 0.2115 0.2028 0.1350 0.0076  -0.0642 0.0078  107 ARG A O   
1145 C CB  . ARG A 90  ? 0.1561 0.1856 0.1394 0.0028  -0.0499 -0.0002 107 ARG A CB  
1146 C CG  . ARG A 90  ? 0.1575 0.1958 0.1567 -0.0057 -0.0529 -0.0024 107 ARG A CG  
1147 C CD  . ARG A 90  ? 0.1887 0.2200 0.1804 -0.0136 -0.0709 -0.0047 107 ARG A CD  
1148 N NE  . ARG A 90  ? 0.1823 0.2257 0.1869 -0.0122 -0.0866 0.0022  107 ARG A NE  
1149 C CZ  . ARG A 90  ? 0.1863 0.2545 0.2271 -0.0153 -0.0948 0.0084  107 ARG A CZ  
1150 N NH1 . ARG A 90  ? 0.1909 0.2740 0.2564 -0.0209 -0.0870 0.0101  107 ARG A NH1 
1151 N NH2 . ARG A 90  ? 0.2156 0.2954 0.2693 -0.0129 -0.1113 0.0144  107 ARG A NH2 
1165 N N   . ALA A 91  ? 0.1907 0.1829 0.1231 0.0099  -0.0369 0.0022  108 ALA A N   
1166 C CA  . ALA A 91  ? 0.2004 0.1790 0.1216 0.0145  -0.0378 0.0088  108 ALA A CA  
1167 C C   . ALA A 91  ? 0.2395 0.1991 0.1252 0.0085  -0.0414 0.0123  108 ALA A C   
1168 O O   . ALA A 91  ? 0.2566 0.2046 0.1301 0.0109  -0.0522 0.0213  108 ALA A O   
1169 C CB  . ALA A 91  ? 0.2029 0.1781 0.1293 0.0164  -0.0241 0.0065  108 ALA A CB  
1175 N N   . VAL A 92  ? 0.2426 0.1988 0.1104 0.0013  -0.0319 0.0057  109 VAL A N   
1176 C CA  . VAL A 92  ? 0.2957 0.2365 0.1258 -0.0047 -0.0318 0.0079  109 VAL A CA  
1177 C C   . VAL A 92  ? 0.3176 0.2535 0.1321 -0.0051 -0.0511 0.0109  109 VAL A C   
1178 O O   . VAL A 92  ? 0.3461 0.2682 0.1342 -0.0070 -0.0583 0.0195  109 VAL A O   
1179 C CB  . VAL A 92  ? 0.3269 0.2696 0.1451 -0.0096 -0.0170 -0.0029 109 VAL A CB  
1180 C CG1 . VAL A 92  ? 0.3624 0.2966 0.1479 -0.0139 -0.0162 -0.0031 109 VAL A CG1 
1181 C CG2 . VAL A 92  ? 0.3096 0.2567 0.1398 -0.0108 -0.0003 -0.0031 109 VAL A CG2 
1191 N N   . ALA A 93  ? 0.2976 0.2451 0.1301 -0.0047 -0.0605 0.0044  110 ALA A N   
1192 C CA  . ALA A 93  ? 0.3409 0.2852 0.1618 -0.0068 -0.0816 0.0062  110 ALA A CA  
1193 C C   . ALA A 93  ? 0.3323 0.2797 0.1673 -0.0006 -0.0975 0.0192  110 ALA A C   
1194 O O   . ALA A 93  ? 0.3778 0.3216 0.2027 -0.0018 -0.1099 0.0237  110 ALA A O   
1195 C CB  . ALA A 93  ? 0.3466 0.3024 0.1882 -0.0101 -0.0889 -0.0031 110 ALA A CB  
1201 N N   . PHE A 94  ? 0.2895 0.2476 0.1571 0.0076  -0.0918 0.0234  111 PHE A N   
1202 C CA  . PHE A 94  ? 0.3038 0.2615 0.1851 0.0170  -0.1044 0.0348  111 PHE A CA  
1203 C C   . PHE A 94  ? 0.3272 0.2585 0.1780 0.0175  -0.1023 0.0443  111 PHE A C   
1204 O O   . PHE A 94  ? 0.3664 0.2913 0.2272 0.0264  -0.1128 0.0541  111 PHE A O   
1205 C CB  . PHE A 94  ? 0.3031 0.2814 0.2297 0.0272  -0.0963 0.0330  111 PHE A CB  
1206 C CG  . PHE A 94  ? 0.2882 0.2961 0.2515 0.0270  -0.1007 0.0291  111 PHE A CG  
1207 C CD1 . PHE A 94  ? 0.3214 0.3393 0.2930 0.0243  -0.1220 0.0328  111 PHE A CD1 
1208 C CD2 . PHE A 94  ? 0.2996 0.3257 0.2893 0.0284  -0.0846 0.0230  111 PHE A CD2 
1209 C CE1 . PHE A 94  ? 0.3167 0.3635 0.3261 0.0215  -0.1259 0.0308  111 PHE A CE1 
1210 C CE2 . PHE A 94  ? 0.2831 0.3369 0.3063 0.0260  -0.0873 0.0221  111 PHE A CE2 
1211 C CZ  . PHE A 94  ? 0.2808 0.3457 0.3160 0.0220  -0.1076 0.0263  111 PHE A CZ  
1221 N N   . ASN A 95  ? 0.3506 0.2672 0.1672 0.0082  -0.0884 0.0420  112 ASN A N   
1222 C CA  A ASN A 95  ? 0.3769 0.2726 0.1695 0.0047  -0.0820 0.0518  112 ASN A CA  
1223 C CA  B ASN A 95  ? 0.3761 0.2718 0.1687 0.0047  -0.0819 0.0517  112 ASN A CA  
1224 C C   . ASN A 95  ? 0.3594 0.2466 0.1714 0.0122  -0.0785 0.0568  112 ASN A C   
1225 O O   . ASN A 95  ? 0.3946 0.2624 0.1994 0.0147  -0.0860 0.0686  112 ASN A O   
1226 C CB  A ASN A 95  ? 0.4529 0.3397 0.2278 0.0031  -0.0951 0.0611  112 ASN A CB  
1227 C CB  B ASN A 95  ? 0.4536 0.3402 0.2278 0.0028  -0.0946 0.0611  112 ASN A CB  
1228 C CG  A ASN A 95  ? 0.4175 0.3105 0.1717 -0.0040 -0.0963 0.0536  112 ASN A CG  
1229 C CG  B ASN A 95  ? 0.5152 0.3836 0.2602 -0.0051 -0.0843 0.0698  112 ASN A CG  
1230 O OD1 A ASN A 95  ? 0.5022 0.3943 0.2356 -0.0111 -0.0803 0.0467  112 ASN A OD1 
1231 O OD1 B ASN A 95  ? 0.5297 0.3986 0.2641 -0.0125 -0.0652 0.0653  112 ASN A OD1 
1232 N ND2 A ASN A 95  ? 0.4630 0.3631 0.2255 -0.0012 -0.1150 0.0540  112 ASN A ND2 
1233 N ND2 B ASN A 95  ? 0.5170 0.3713 0.2522 -0.0036 -0.0967 0.0827  112 ASN A ND2 
1244 N N   . LYS A 96  ? 0.3118 0.2151 0.1530 0.0153  -0.0650 0.0459  113 LYS A N   
1245 C CA  . LYS A 96  ? 0.2993 0.1956 0.1594 0.0219  -0.0592 0.0460  113 LYS A CA  
1246 C C   . LYS A 96  ? 0.3277 0.2075 0.1686 0.0111  -0.0455 0.0483  113 LYS A C   
1247 O O   . LYS A 96  ? 0.3539 0.2400 0.1802 0.0005  -0.0335 0.0445  113 LYS A O   
1248 C CB  . LYS A 96  ? 0.2906 0.2109 0.1840 0.0280  -0.0503 0.0336  113 LYS A CB  
1249 C CG  . LYS A 96  ? 0.3389 0.2794 0.2621 0.0397  -0.0609 0.0326  113 LYS A CG  
1250 C CD  . LYS A 96  ? 0.3988 0.3269 0.3312 0.0527  -0.0740 0.0406  113 LYS A CD  
1251 C CE  . LYS A 96  ? 0.4303 0.3822 0.3927 0.0631  -0.0875 0.0423  113 LYS A CE  
1252 N NZ  . LYS A 96  ? 0.3956 0.3377 0.3744 0.0798  -0.0983 0.0480  113 LYS A NZ  
1266 N N   . ARG A 97  ? 0.3297 0.1893 0.1745 0.0142  -0.0473 0.0535  114 ARG A N   
1267 C CA  . ARG A 97  ? 0.3399 0.1871 0.1778 0.0035  -0.0351 0.0543  114 ARG A CA  
1268 C C   . ARG A 97  ? 0.3080 0.1747 0.1695 0.0049  -0.0231 0.0395  114 ARG A C   
1269 O O   . ARG A 97  ? 0.2923 0.1675 0.1758 0.0170  -0.0256 0.0314  114 ARG A O   
1270 C CB  . ARG A 97  ? 0.3689 0.1844 0.2061 0.0071  -0.0441 0.0629  114 ARG A CB  
1271 C CG  . ARG A 97  ? 0.4755 0.2725 0.3018 -0.0084 -0.0355 0.0685  114 ARG A CG  
1272 C CD  . ARG A 97  ? 0.5843 0.3410 0.4039 -0.0069 -0.0485 0.0806  114 ARG A CD  
1273 N NE  . ARG A 97  ? 0.7107 0.4611 0.5361 0.0105  -0.0651 0.0837  114 ARG A NE  
1274 C CZ  . ARG A 97  ? 0.7921 0.5280 0.6368 0.0256  -0.0744 0.0794  114 ARG A CZ  
1275 N NH1 . ARG A 97  ? 0.7317 0.4464 0.5828 0.0235  -0.0724 0.0750  114 ARG A NH1 
1276 N NH2 . ARG A 97  ? 0.6536 0.3996 0.5139 0.0431  -0.0856 0.0784  114 ARG A NH2 
1290 N N   . ILE A 98  ? 0.2850 0.1610 0.1421 -0.0071 -0.0098 0.0364  115 ILE A N   
1291 C CA  . ILE A 98  ? 0.2639 0.1608 0.1403 -0.0071 0.0000  0.0239  115 ILE A CA  
1292 C C   . ILE A 98  ? 0.2549 0.1469 0.1331 -0.0187 0.0086  0.0244  115 ILE A C   
1293 O O   . ILE A 98  ? 0.2777 0.1658 0.1421 -0.0305 0.0148  0.0324  115 ILE A O   
1294 C CB  . ILE A 98  ? 0.2496 0.1683 0.1242 -0.0087 0.0054  0.0184  115 ILE A CB  
1295 C CG1 . ILE A 98  ? 0.2512 0.1777 0.1313 0.0011  -0.0051 0.0166  115 ILE A CG1 
1296 C CG2 . ILE A 98  ? 0.2376 0.1735 0.1290 -0.0112 0.0155  0.0088  115 ILE A CG2 
1297 C CD1 . ILE A 98  ? 0.2777 0.2143 0.1463 -0.0023 -0.0049 0.0135  115 ILE A CD1 
1309 N N   . LEU A 99  ? 0.2608 0.1556 0.1561 -0.0161 0.0094  0.0158  116 LEU A N   
1310 C CA  . LEU A 99  ? 0.2455 0.1402 0.1486 -0.0272 0.0147  0.0142  116 LEU A CA  
1311 C C   . LEU A 99  ? 0.2216 0.1405 0.1413 -0.0245 0.0193  0.0032  116 LEU A C   
1312 O O   . LEU A 99  ? 0.2210 0.1422 0.1469 -0.0147 0.0152  -0.0043 116 LEU A O   
1313 C CB  . LEU A 99  ? 0.2795 0.1476 0.1834 -0.0267 0.0063  0.0136  116 LEU A CB  
1314 C CG  . LEU A 99  ? 0.2898 0.1571 0.2041 -0.0388 0.0078  0.0102  116 LEU A CG  
1315 C CD1 . LEU A 99  ? 0.3244 0.1967 0.2392 -0.0568 0.0152  0.0210  116 LEU A CD1 
1316 C CD2 . LEU A 99  ? 0.3284 0.1644 0.2401 -0.0363 -0.0029 0.0058  116 LEU A CD2 
1328 N N   . CYS A 100 ? 0.2093 0.1466 0.1362 -0.0325 0.0279  0.0029  117 CYS A N   
1329 C CA  . CYS A 100 ? 0.1917 0.1495 0.1360 -0.0308 0.0303  -0.0054 117 CYS A CA  
1330 C C   . CYS A 100 ? 0.1923 0.1528 0.1507 -0.0413 0.0303  -0.0057 117 CYS A C   
1331 O O   . CYS A 100 ? 0.2171 0.1771 0.1773 -0.0529 0.0354  0.0012  117 CYS A O   
1332 C CB  . CYS A 100 ? 0.1839 0.1614 0.1312 -0.0295 0.0384  -0.0074 117 CYS A CB  
1333 S SG  . CYS A 100 ? 0.2018 0.1784 0.1368 -0.0190 0.0348  -0.0092 117 CYS A SG  
1339 N N   . LEU A 101 ? 0.1827 0.1483 0.1513 -0.0385 0.0244  -0.0129 118 LEU A N   
1340 C CA  . LEU A 101 ? 0.1863 0.1533 0.1684 -0.0480 0.0193  -0.0146 118 LEU A CA  
1341 C C   . LEU A 101 ? 0.1601 0.1524 0.1610 -0.0462 0.0196  -0.0185 118 LEU A C   
1342 O O   . LEU A 101 ? 0.1625 0.1584 0.1595 -0.0365 0.0167  -0.0229 118 LEU A O   
1343 C CB  . LEU A 101 ? 0.2119 0.1566 0.1825 -0.0447 0.0084  -0.0207 118 LEU A CB  
1344 C CG  . LEU A 101 ? 0.2633 0.1793 0.2166 -0.0418 0.0061  -0.0183 118 LEU A CG  
1345 C CD1 . LEU A 101 ? 0.3129 0.2078 0.2541 -0.0337 -0.0026 -0.0282 118 LEU A CD1 
1346 C CD2 . LEU A 101 ? 0.3259 0.2292 0.2811 -0.0565 0.0064  -0.0090 118 LEU A CD2 
1358 N N   . PHE A 102 ? 0.1642 0.1750 0.1876 -0.0555 0.0230  -0.0159 119 PHE A N   
1359 C CA  . PHE A 102 ? 0.1447 0.1811 0.1915 -0.0522 0.0230  -0.0188 119 PHE A CA  
1360 C C   . PHE A 102 ? 0.1436 0.1912 0.2148 -0.0633 0.0147  -0.0180 119 PHE A C   
1361 O O   . PHE A 102 ? 0.1530 0.2008 0.2329 -0.0765 0.0172  -0.0130 119 PHE A O   
1362 C CB  . PHE A 102 ? 0.1483 0.2042 0.2053 -0.0489 0.0378  -0.0177 119 PHE A CB  
1363 C CG  . PHE A 102 ? 0.1275 0.2081 0.2123 -0.0430 0.0374  -0.0214 119 PHE A CG  
1364 C CD1 . PHE A 102 ? 0.1191 0.1971 0.2007 -0.0317 0.0302  -0.0254 119 PHE A CD1 
1365 C CD2 . PHE A 102 ? 0.1247 0.2316 0.2416 -0.0489 0.0436  -0.0199 119 PHE A CD2 
1366 C CE1 . PHE A 102 ? 0.1365 0.2331 0.2444 -0.0253 0.0270  -0.0276 119 PHE A CE1 
1367 C CE2 . PHE A 102 ? 0.1297 0.2596 0.2764 -0.0409 0.0416  -0.0235 119 PHE A CE2 
1368 C CZ  . PHE A 102 ? 0.1438 0.2661 0.2849 -0.0286 0.0322  -0.0274 119 PHE A CZ  
1378 N N   . ARG A 103 ? 0.1221 0.2066 0.1902 -0.0444 0.0217  -0.0254 120 ARG A N   
1379 C CA  . ARG A 103 ? 0.1248 0.2222 0.2131 -0.0491 0.0137  -0.0295 120 ARG A CA  
1380 C C   . ARG A 103 ? 0.1160 0.2302 0.2320 -0.0458 0.0125  -0.0283 120 ARG A C   
1381 O O   . ARG A 103 ? 0.1179 0.2361 0.2332 -0.0386 0.0027  -0.0241 120 ARG A O   
1382 C CB  . ARG A 103 ? 0.1339 0.2333 0.2079 -0.0485 -0.0001 -0.0315 120 ARG A CB  
1383 C CG  . ARG A 103 ? 0.1605 0.2461 0.2108 -0.0490 0.0025  -0.0361 120 ARG A CG  
1384 C CD  . ARG A 103 ? 0.1858 0.2733 0.2218 -0.0512 -0.0081 -0.0424 120 ARG A CD  
1385 N NE  . ARG A 103 ? 0.1726 0.2695 0.2011 -0.0495 -0.0183 -0.0369 120 ARG A NE  
1386 C CZ  . ARG A 103 ? 0.1554 0.2508 0.1658 -0.0463 -0.0158 -0.0302 120 ARG A CZ  
1387 N NH1 . ARG A 103 ? 0.1428 0.2339 0.1456 -0.0437 -0.0039 -0.0301 120 ARG A NH1 
1388 N NH2 . ARG A 103 ? 0.1698 0.2674 0.1691 -0.0465 -0.0270 -0.0233 120 ARG A NH2 
1402 N N   . PRO A 104 ? 0.1186 0.2423 0.2599 -0.0508 0.0225  -0.0322 121 PRO A N   
1403 C CA  . PRO A 104 ? 0.1093 0.2537 0.2847 -0.0452 0.0221  -0.0344 121 PRO A CA  
1404 C C   . PRO A 104 ? 0.1136 0.2767 0.3110 -0.0415 0.0014  -0.0362 121 PRO A C   
1405 O O   . PRO A 104 ? 0.1289 0.3044 0.3494 -0.0309 -0.0056 -0.0358 121 PRO A O   
1406 C CB  . PRO A 104 ? 0.1503 0.3006 0.3431 -0.0535 0.0394  -0.0391 121 PRO A CB  
1407 C CG  . PRO A 104 ? 0.2200 0.3467 0.3828 -0.0636 0.0490  -0.0368 121 PRO A CG  
1408 C CD  . PRO A 104 ? 0.1309 0.2446 0.2689 -0.0618 0.0363  -0.0346 121 PRO A CD  
1416 N N   . GLN A 105 ? 0.1086 0.2727 0.2994 -0.0490 -0.0104 -0.0390 122 GLN A N   
1417 C CA  . GLN A 105 ? 0.1240 0.3046 0.3300 -0.0461 -0.0338 -0.0407 122 GLN A CA  
1418 C C   . GLN A 105 ? 0.1452 0.3138 0.3251 -0.0348 -0.0484 -0.0308 122 GLN A C   
1419 O O   . GLN A 105 ? 0.1849 0.3638 0.3748 -0.0293 -0.0702 -0.0291 122 GLN A O   
1420 C CB  . GLN A 105 ? 0.1473 0.3268 0.3445 -0.0587 -0.0420 -0.0478 122 GLN A CB  
1421 C CG  . GLN A 105 ? 0.1599 0.3482 0.3841 -0.0707 -0.0313 -0.0547 122 GLN A CG  
1422 C CD  . GLN A 105 ? 0.2044 0.3852 0.4184 -0.0833 -0.0405 -0.0618 122 GLN A CD  
1423 O OE1 . GLN A 105 ? 0.2527 0.4227 0.4384 -0.0841 -0.0525 -0.0652 122 GLN A OE1 
1424 N NE2 . GLN A 105 ? 0.2673 0.4540 0.5029 -0.0938 -0.0349 -0.0652 122 GLN A NE2 
1433 N N   . SER A 106 ? 0.1523 0.2993 0.2999 -0.0321 -0.0378 -0.0238 123 SER A N   
1434 C CA  . SER A 106 ? 0.1695 0.3026 0.2932 -0.0244 -0.0474 -0.0133 123 SER A CA  
1435 C C   . SER A 106 ? 0.1544 0.2923 0.3054 -0.0119 -0.0550 -0.0095 123 SER A C   
1436 O O   . SER A 106 ? 0.2033 0.3273 0.3373 -0.0054 -0.0697 0.0005  123 SER A O   
1437 C CB  . SER A 106 ? 0.1742 0.2883 0.2681 -0.0262 -0.0317 -0.0091 123 SER A CB  
1438 O OG  . SER A 106 ? 0.1513 0.2643 0.2614 -0.0227 -0.0169 -0.0106 123 SER A OG  
1444 N N   . GLY A 107 ? 0.1457 0.3002 0.3365 -0.0085 -0.0443 -0.0175 124 GLY A N   
1445 C CA  . GLY A 107 ? 0.1736 0.3333 0.3949 0.0057  -0.0477 -0.0177 124 GLY A CA  
1446 C C   . GLY A 107 ? 0.2033 0.3416 0.4103 0.0104  -0.0323 -0.0152 124 GLY A C   
1447 O O   . GLY A 107 ? 0.2320 0.3709 0.4640 0.0232  -0.0325 -0.0179 124 GLY A O   
1451 N N   . ARG A 108 ? 0.1908 0.3114 0.3611 0.0012  -0.0201 -0.0118 125 ARG A N   
1452 C CA  . ARG A 108 ? 0.2130 0.3142 0.3682 0.0031  -0.0072 -0.0107 125 ARG A CA  
1453 C C   . ARG A 108 ? 0.1861 0.2955 0.3539 -0.0001 0.0146  -0.0211 125 ARG A C   
1454 O O   . ARG A 108 ? 0.1735 0.2979 0.3509 -0.0080 0.0222  -0.0261 125 ARG A O   
1455 C CB  . ARG A 108 ? 0.2449 0.3281 0.3584 -0.0059 -0.0055 -0.0035 125 ARG A CB  
1456 C CG  . ARG A 108 ? 0.2935 0.3660 0.3853 -0.0066 -0.0225 0.0073  125 ARG A CG  
1457 C CD  . ARG A 108 ? 0.2343 0.2910 0.2913 -0.0156 -0.0163 0.0128  125 ARG A CD  
1458 N NE  . ARG A 108 ? 0.2688 0.3157 0.2993 -0.0199 -0.0287 0.0231  125 ARG A NE  
1459 C CZ  . ARG A 108 ? 0.2812 0.3053 0.2943 -0.0201 -0.0359 0.0342  125 ARG A CZ  
1460 N NH1 . ARG A 108 ? 0.3370 0.3446 0.3595 -0.0148 -0.0333 0.0353  125 ARG A NH1 
1461 N NH2 . ARG A 108 ? 0.3838 0.3980 0.3658 -0.0269 -0.0454 0.0444  125 ARG A NH2 
1475 N N   . VAL A 109 ? 0.1935 0.2887 0.3558 0.0042  0.0249  -0.0239 126 VAL A N   
1476 C CA  . VAL A 109 ? 0.1867 0.2816 0.3443 -0.0008 0.0460  -0.0321 126 VAL A CA  
1477 C C   . VAL A 109 ? 0.1459 0.2201 0.2635 -0.0081 0.0485  -0.0272 126 VAL A C   
1478 O O   . VAL A 109 ? 0.1845 0.2416 0.2876 -0.0058 0.0424  -0.0233 126 VAL A O   
1479 C CB  . VAL A 109 ? 0.2061 0.3007 0.3849 0.0094  0.0561  -0.0424 126 VAL A CB  
1480 C CG1 . VAL A 109 ? 0.2311 0.3266 0.4001 0.0019  0.0797  -0.0517 126 VAL A CG1 
1481 C CG2 . VAL A 109 ? 0.2402 0.3592 0.4668 0.0204  0.0490  -0.0478 126 VAL A CG2 
1491 N N   . LEU A 110 ? 0.1467 0.2216 0.2478 -0.0172 0.0563  -0.0272 127 LEU A N   
1492 C CA  . LEU A 110 ? 0.1592 0.2194 0.2283 -0.0221 0.0557  -0.0236 127 LEU A CA  
1493 C C   . LEU A 110 ? 0.1427 0.1883 0.1981 -0.0210 0.0631  -0.0285 127 LEU A C   
1494 O O   . LEU A 110 ? 0.1581 0.2032 0.2168 -0.0203 0.0762  -0.0361 127 LEU A O   
1495 C CB  . LEU A 110 ? 0.1543 0.2143 0.2100 -0.0291 0.0607  -0.0228 127 LEU A CB  
1496 C CG  . LEU A 110 ? 0.1559 0.2035 0.1831 -0.0315 0.0580  -0.0202 127 LEU A CG  
1497 C CD1 . LEU A 110 ? 0.1625 0.2136 0.1871 -0.0304 0.0464  -0.0165 127 LEU A CD1 
1498 C CD2 . LEU A 110 ? 0.1981 0.2394 0.2121 -0.0358 0.0609  -0.0185 127 LEU A CD2 
1510 N N   . SER A 111 ? 0.1537 0.1882 0.1929 -0.0226 0.0556  -0.0254 128 SER A N   
1511 C CA  . SER A 111 ? 0.1501 0.1692 0.1721 -0.0243 0.0592  -0.0308 128 SER A CA  
1512 C C   . SER A 111 ? 0.1666 0.1816 0.1725 -0.0269 0.0711  -0.0373 128 SER A C   
1513 O O   . SER A 111 ? 0.1821 0.1996 0.1749 -0.0309 0.0715  -0.0336 128 SER A O   
1514 C CB  . SER A 111 ? 0.1600 0.1771 0.1661 -0.0307 0.0499  -0.0264 128 SER A CB  
1515 O OG  . SER A 111 ? 0.1768 0.1804 0.1679 -0.0342 0.0504  -0.0325 128 SER A OG  
1521 N N   . ALA A 112 ? 0.1874 0.1915 0.1887 -0.0249 0.0801  -0.0470 129 ALA A N   
1522 C CA  . ALA A 112 ? 0.2186 0.2147 0.1942 -0.0294 0.0925  -0.0535 129 ALA A CA  
1523 C C   . ALA A 112 ? 0.2164 0.2025 0.1593 -0.0356 0.0824  -0.0498 129 ALA A C   
1524 O O   . ALA A 112 ? 0.2552 0.2338 0.1708 -0.0401 0.0872  -0.0492 129 ALA A O   
1525 C CB  . ALA A 112 ? 0.2520 0.2372 0.2266 -0.0256 0.1046  -0.0678 129 ALA A CB  
1531 N N   . MET A 113 ? 0.2228 0.2083 0.1676 -0.0366 0.0681  -0.0474 130 MET A N   
1532 C CA  . MET A 113 ? 0.2253 0.2076 0.1474 -0.0414 0.0566  -0.0462 130 MET A CA  
1533 C C   . MET A 113 ? 0.2286 0.2202 0.1486 -0.0403 0.0504  -0.0371 130 MET A C   
1534 O O   . MET A 113 ? 0.2789 0.2648 0.1760 -0.0413 0.0422  -0.0358 130 MET A O   
1535 C CB  . MET A 113 ? 0.2187 0.2036 0.1503 -0.0452 0.0450  -0.0472 130 MET A CB  
1536 C CG  . MET A 113 ? 0.2444 0.2127 0.1764 -0.0467 0.0488  -0.0561 130 MET A CG  
1537 S SD  . MET A 113 ? 0.3046 0.2515 0.2046 -0.0475 0.0587  -0.0708 130 MET A SD  
1538 C CE  . MET A 113 ? 0.3448 0.2918 0.2179 -0.0561 0.0413  -0.0723 130 MET A CE  
1548 N N   . ILE A 114 ? 0.1951 0.1987 0.1374 -0.0374 0.0523  -0.0313 131 ILE A N   
1549 C CA  . ILE A 114 ? 0.2082 0.2168 0.1498 -0.0357 0.0471  -0.0246 131 ILE A CA  
1550 C C   . ILE A 114 ? 0.2155 0.2138 0.1452 -0.0376 0.0578  -0.0222 131 ILE A C   
1551 O O   . ILE A 114 ? 0.2523 0.2376 0.1588 -0.0383 0.0542  -0.0177 131 ILE A O   
1552 C CB  . ILE A 114 ? 0.1770 0.2020 0.1441 -0.0336 0.0430  -0.0214 131 ILE A CB  
1553 C CG1 . ILE A 114 ? 0.1848 0.2186 0.1601 -0.0357 0.0359  -0.0228 131 ILE A CG1 
1554 C CG2 . ILE A 114 ? 0.1911 0.2182 0.1572 -0.0309 0.0384  -0.0176 131 ILE A CG2 
1555 C CD1 . ILE A 114 ? 0.1793 0.2170 0.1462 -0.0368 0.0263  -0.0255 131 ILE A CD1 
1567 N N   . ARG A 115 ? 0.2282 0.2311 0.1737 -0.0390 0.0712  -0.0252 132 ARG A N   
1568 C CA  . ARG A 115 ? 0.2586 0.2555 0.1967 -0.0444 0.0857  -0.0245 132 ARG A CA  
1569 C C   . ARG A 115 ? 0.2717 0.2480 0.1695 -0.0493 0.0919  -0.0255 132 ARG A C   
1570 O O   . ARG A 115 ? 0.3168 0.2780 0.1921 -0.0541 0.0934  -0.0186 132 ARG A O   
1571 C CB  . ARG A 115 ? 0.2620 0.2744 0.2322 -0.0432 0.0974  -0.0310 132 ARG A CB  
1572 C CG  . ARG A 115 ? 0.3330 0.3464 0.3083 -0.0478 0.1083  -0.0314 132 ARG A CG  
1573 C CD  . ARG A 115 ? 0.3032 0.3221 0.2913 -0.0521 0.1050  -0.0254 132 ARG A CD  
1574 N NE  . ARG A 115 ? 0.2546 0.2956 0.2807 -0.0478 0.0991  -0.0277 132 ARG A NE  
1575 C CZ  . ARG A 115 ? 0.2289 0.2760 0.2674 -0.0516 0.0937  -0.0245 132 ARG A CZ  
1576 N NH1 . ARG A 115 ? 0.3208 0.3517 0.3390 -0.0593 0.0949  -0.0193 132 ARG A NH1 
1577 N NH2 . ARG A 115 ? 0.2073 0.2745 0.2775 -0.0481 0.0863  -0.0270 132 ARG A NH2 
1591 N N   . GLY A 116 ? 0.2861 0.2579 0.1728 -0.0478 0.0918  -0.0333 133 GLY A N   
1592 C CA  . GLY A 116 ? 0.3189 0.2717 0.1683 -0.0511 0.0928  -0.0350 133 GLY A CA  
1593 C C   . GLY A 116 ? 0.3368 0.2740 0.1491 -0.0520 0.0762  -0.0293 133 GLY A C   
1594 O O   . GLY A 116 ? 0.3617 0.2808 0.1393 -0.0548 0.0744  -0.0276 133 GLY A O   
1598 N N   . ALA A 117 ? 0.3115 0.2596 0.1418 -0.0463 0.0586  -0.0252 134 ALA A N   
1599 C CA  . ALA A 117 ? 0.3511 0.2907 0.1597 -0.0430 0.0380  -0.0200 134 ALA A CA  
1600 C C   . ALA A 117 ? 0.3595 0.2813 0.1486 -0.0422 0.0351  -0.0081 134 ALA A C   
1601 O O   . ALA A 117 ? 0.3866 0.2930 0.1483 -0.0384 0.0178  -0.0024 134 ALA A O   
1602 C CB  . ALA A 117 ? 0.3268 0.2896 0.1691 -0.0368 0.0221  -0.0218 134 ALA A CB  
1608 N N   . ALA A 118 ? 0.3563 0.2776 0.1580 -0.0461 0.0504  -0.0043 135 ALA A N   
1609 C CA  . ALA A 118 ? 0.4102 0.3107 0.1961 -0.0471 0.0480  0.0070  135 ALA A CA  
1610 C C   . ALA A 118 ? 0.4410 0.3074 0.1714 -0.0553 0.0524  0.0144  135 ALA A C   
1611 O O   . ALA A 118 ? 0.4904 0.3594 0.2171 -0.0619 0.0674  0.0088  135 ALA A O   
1612 C CB  . ALA A 118 ? 0.4253 0.3348 0.2396 -0.0530 0.0643  0.0072  135 ALA A CB  
1618 N N   . ASP A 119 ? 0.4691 0.3085 0.1709 -0.0506 0.0347  0.0259  136 ASP A N   
1619 C CA  . ASP A 119 ? 0.4973 0.3035 0.1544 -0.0570 0.0351  0.0356  136 ASP A CA  
1620 C C   . ASP A 119 ? 0.5646 0.3433 0.2127 -0.0616 0.0377  0.0482  136 ASP A C   
1621 O O   . ASP A 119 ? 0.6208 0.3686 0.2332 -0.0659 0.0344  0.0579  136 ASP A O   
1622 C CB  . ASP A 119 ? 0.5354 0.3284 0.1613 -0.0476 0.0083  0.0387  136 ASP A CB  
1623 C CG  . ASP A 119 ? 0.6091 0.3955 0.2390 -0.0318 -0.0201 0.0448  136 ASP A CG  
1624 O OD1 . ASP A 119 ? 0.5514 0.3361 0.2067 -0.0280 -0.0184 0.0486  136 ASP A OD1 
1625 O OD2 . ASP A 119 ? 0.6765 0.4689 0.3017 -0.0213 -0.0449 0.0423  136 ASP A OD2 
1630 N N   . GLY A 120 ? 0.5384 0.3261 0.2173 -0.0620 0.0438  0.0477  137 GLY A N   
1631 C CA  . GLY A 120 ? 0.5990 0.3622 0.2764 -0.0690 0.0488  0.0566  137 GLY A CA  
1632 C C   . GLY A 120 ? 0.6417 0.3657 0.2946 -0.0576 0.0240  0.0693  137 GLY A C   
1633 O O   . GLY A 120 ? 0.6900 0.3885 0.3416 -0.0632 0.0266  0.0761  137 GLY A O   
1637 N N   . SER A 121 ? 0.5740 0.2976 0.2174 -0.0401 -0.0019 0.0696  138 SER A N   
1638 C CA  . SER A 121 ? 0.6405 0.3345 0.2746 -0.0232 -0.0294 0.0781  138 SER A CA  
1639 C C   . SER A 121 ? 0.5537 0.2870 0.2330 -0.0010 -0.0504 0.0652  138 SER A C   
1640 O O   . SER A 121 ? 0.5156 0.2656 0.2371 0.0084  -0.0524 0.0571  138 SER A O   
1641 C CB  . SER A 121 ? 0.7898 0.4471 0.3740 -0.0235 -0.0424 0.0904  138 SER A CB  
1642 O OG  . SER A 121 ? 0.8485 0.5253 0.4247 -0.0162 -0.0564 0.0852  138 SER A OG  
1648 N N   . ARG A 122 ? 0.5626 0.3119 0.2337 0.0057  -0.0650 0.0618  139 ARG A N   
1649 C CA  . ARG A 122 ? 0.5014 0.2923 0.2191 0.0235  -0.0828 0.0486  139 ARG A CA  
1650 C C   . ARG A 122 ? 0.4359 0.2760 0.2038 0.0180  -0.0639 0.0333  139 ARG A C   
1651 O O   . ARG A 122 ? 0.4592 0.3313 0.2711 0.0298  -0.0709 0.0227  139 ARG A O   
1652 C CB  . ARG A 122 ? 0.5415 0.3383 0.2392 0.0292  -0.1045 0.0479  139 ARG A CB  
1653 C CG  . ARG A 122 ? 0.6179 0.4443 0.3565 0.0510  -0.1315 0.0388  139 ARG A CG  
1654 C CD  . ARG A 122 ? 0.6922 0.4903 0.3959 0.0649  -0.1656 0.0486  139 ARG A CD  
1655 N NE  . ARG A 122 ? 0.6444 0.4798 0.4005 0.0865  -0.1895 0.0369  139 ARG A NE  
1656 C CZ  . ARG A 122 ? 0.7058 0.5366 0.4898 0.1065  -0.2016 0.0359  139 ARG A CZ  
1657 N NH1 . ARG A 122 ? 0.7930 0.5751 0.5516 0.1082  -0.1970 0.0481  139 ARG A NH1 
1658 N NH2 . ARG A 122 ? 0.6657 0.5424 0.5068 0.1234  -0.2158 0.0207  139 ARG A NH2 
1672 N N   . PHE A 123 ? 0.4014 0.2478 0.1630 0.0009  -0.0403 0.0316  140 PHE A N   
1673 C CA  . PHE A 123 ? 0.3447 0.2306 0.1481 -0.0043 -0.0243 0.0197  140 PHE A CA  
1674 C C   . PHE A 123 ? 0.3430 0.2183 0.1452 -0.0176 -0.0014 0.0228  140 PHE A C   
1675 O O   . PHE A 123 ? 0.3658 0.2250 0.1395 -0.0304 0.0130  0.0271  140 PHE A O   
1676 C CB  . PHE A 123 ? 0.3480 0.2535 0.1495 -0.0100 -0.0216 0.0124  140 PHE A CB  
1677 C CG  . PHE A 123 ? 0.2961 0.2383 0.1394 -0.0128 -0.0108 0.0016  140 PHE A CG  
1678 C CD1 . PHE A 123 ? 0.2744 0.2238 0.1364 -0.0193 0.0074  0.0004  140 PHE A CD1 
1679 C CD2 . PHE A 123 ? 0.2915 0.2596 0.1540 -0.0101 -0.0205 -0.0068 140 PHE A CD2 
1680 C CE1 . PHE A 123 ? 0.2671 0.2443 0.1609 -0.0212 0.0139  -0.0070 140 PHE A CE1 
1681 C CE2 . PHE A 123 ? 0.2487 0.2432 0.1428 -0.0146 -0.0109 -0.0140 140 PHE A CE2 
1682 C CZ  . PHE A 123 ? 0.2562 0.2528 0.1630 -0.0191 0.0053  -0.0132 140 PHE A CZ  
1692 N N   . GLN A 124 ? 0.3182 0.2022 0.1501 -0.0153 0.0019  0.0197  141 GLN A N   
1693 C CA  . GLN A 124 ? 0.3193 0.1974 0.1570 -0.0282 0.0202  0.0210  141 GLN A CA  
1694 C C   . GLN A 124 ? 0.2853 0.2010 0.1640 -0.0296 0.0285  0.0105  141 GLN A C   
1695 O O   . GLN A 124 ? 0.2586 0.1963 0.1606 -0.0198 0.0194  0.0038  141 GLN A O   
1696 C CB  . GLN A 124 ? 0.3497 0.1983 0.1816 -0.0261 0.0143  0.0264  141 GLN A CB  
1697 C CG  . GLN A 124 ? 0.4182 0.2182 0.2014 -0.0287 0.0082  0.0410  141 GLN A CG  
1698 C CD  . GLN A 124 ? 0.4887 0.2516 0.2649 -0.0246 -0.0010 0.0468  141 GLN A CD  
1699 O OE1 . GLN A 124 ? 0.4926 0.2576 0.2904 -0.0317 0.0081  0.0419  141 GLN A OE1 
1700 N NE2 . GLN A 124 ? 0.5160 0.2416 0.2605 -0.0132 -0.0206 0.0571  141 GLN A NE2 
1709 N N   . VAL A 125 ? 0.2742 0.1979 0.1616 -0.0417 0.0458  0.0091  142 VAL A N   
1710 C CA  . VAL A 125 ? 0.2491 0.2032 0.1726 -0.0431 0.0513  0.0012  142 VAL A CA  
1711 C C   . VAL A 125 ? 0.2488 0.1983 0.1839 -0.0534 0.0599  0.0014  142 VAL A C   
1712 O O   . VAL A 125 ? 0.3073 0.2459 0.2326 -0.0656 0.0739  0.0047  142 VAL A O   
1713 C CB  . VAL A 125 ? 0.2700 0.2422 0.2015 -0.0457 0.0609  -0.0030 142 VAL A CB  
1714 C CG1 . VAL A 125 ? 0.2984 0.2969 0.2649 -0.0457 0.0633  -0.0088 142 VAL A CG1 
1715 C CG2 . VAL A 125 ? 0.2747 0.2495 0.1946 -0.0384 0.0516  -0.0044 142 VAL A CG2 
1725 N N   . TRP A 126 ? 0.2281 0.1861 0.1829 -0.0505 0.0528  -0.0033 143 TRP A N   
1726 C CA  . TRP A 126 ? 0.2576 0.2128 0.2260 -0.0614 0.0577  -0.0055 143 TRP A CA  
1727 C C   . TRP A 126 ? 0.2079 0.1967 0.2092 -0.0622 0.0575  -0.0132 143 TRP A C   
1728 O O   . TRP A 126 ? 0.2188 0.2219 0.2272 -0.0531 0.0476  -0.0173 143 TRP A O   
1729 C CB  . TRP A 126 ? 0.2651 0.1972 0.2256 -0.0575 0.0471  -0.0065 143 TRP A CB  
1730 C CG  . TRP A 126 ? 0.3063 0.1977 0.2343 -0.0552 0.0431  0.0025  143 TRP A CG  
1731 C CD1 . TRP A 126 ? 0.3611 0.2401 0.2641 -0.0475 0.0386  0.0099  143 TRP A CD1 
1732 C CD2 . TRP A 126 ? 0.3326 0.1874 0.2480 -0.0596 0.0398  0.0052  143 TRP A CD2 
1733 N NE1 . TRP A 126 ? 0.4202 0.2558 0.2940 -0.0460 0.0315  0.0187  143 TRP A NE1 
1734 C CE2 . TRP A 126 ? 0.3748 0.1928 0.2557 -0.0535 0.0330  0.0164  143 TRP A CE2 
1735 C CE3 . TRP A 126 ? 0.4294 0.2754 0.3577 -0.0694 0.0407  -0.0007 143 TRP A CE3 
1736 C CZ2 . TRP A 126 ? 0.4482 0.2178 0.3066 -0.0553 0.0269  0.0232  143 TRP A CZ2 
1737 C CZ3 . TRP A 126 ? 0.4583 0.2568 0.3656 -0.0730 0.0366  0.0043  143 TRP A CZ3 
1738 C CH2 . TRP A 126 ? 0.5145 0.2736 0.3868 -0.0655 0.0299  0.0169  143 TRP A CH2 
1749 N N   . ASP A 127 ? 0.2127 0.2147 0.2338 -0.0733 0.0679  -0.0153 144 ASP A N   
1750 C CA  . ASP A 127 ? 0.1856 0.2170 0.2396 -0.0740 0.0634  -0.0222 144 ASP A CA  
1751 C C   . ASP A 127 ? 0.1766 0.2022 0.2374 -0.0813 0.0561  -0.0269 144 ASP A C   
1752 O O   . ASP A 127 ? 0.2202 0.2237 0.2723 -0.0924 0.0620  -0.0252 144 ASP A O   
1753 C CB  . ASP A 127 ? 0.1939 0.2456 0.2733 -0.0817 0.0769  -0.0249 144 ASP A CB  
1754 C CG  . ASP A 127 ? 0.2208 0.2755 0.2922 -0.0724 0.0828  -0.0230 144 ASP A CG  
1755 O OD1 . ASP A 127 ? 0.2565 0.3232 0.3349 -0.0627 0.0754  -0.0243 144 ASP A OD1 
1756 O OD2 . ASP A 127 ? 0.3093 0.3508 0.3634 -0.0758 0.0941  -0.0204 144 ASP A OD2 
1761 N N   . TYR A 128 ? 0.1710 0.2125 0.2432 -0.0765 0.0431  -0.0328 145 TYR A N   
1762 C CA  . TYR A 128 ? 0.1761 0.2090 0.2491 -0.0829 0.0346  -0.0399 145 TYR A CA  
1763 C C   . TYR A 128 ? 0.1640 0.2230 0.2547 -0.0818 0.0214  -0.0467 145 TYR A C   
1764 O O   . TYR A 128 ? 0.1527 0.2308 0.2493 -0.0733 0.0172  -0.0438 145 TYR A O   
1765 C CB  . TYR A 128 ? 0.2046 0.2104 0.2494 -0.0744 0.0298  -0.0406 145 TYR A CB  
1766 C CG  . TYR A 128 ? 0.1902 0.2093 0.2274 -0.0613 0.0217  -0.0436 145 TYR A CG  
1767 C CD1 . TYR A 128 ? 0.1791 0.2085 0.2119 -0.0525 0.0244  -0.0373 145 TYR A CD1 
1768 C CD2 . TYR A 128 ? 0.1843 0.2047 0.2165 -0.0599 0.0128  -0.0535 145 TYR A CD2 
1769 C CE1 . TYR A 128 ? 0.1602 0.2017 0.1863 -0.0445 0.0195  -0.0394 145 TYR A CE1 
1770 C CE2 . TYR A 128 ? 0.1837 0.2166 0.2056 -0.0508 0.0091  -0.0560 145 TYR A CE2 
1771 C CZ  . TYR A 128 ? 0.1731 0.2171 0.1932 -0.0440 0.0131  -0.0481 145 TYR A CZ  
1772 O OH  . TYR A 128 ? 0.1708 0.2271 0.1810 -0.0388 0.0117  -0.0501 145 TYR A OH  
1782 N N   . GLU A 129 ? 0.1739 0.2295 0.2694 -0.0909 0.0132  -0.0555 146 GLU A N   
1783 C CA  . GLU A 129 ? 0.1732 0.2473 0.2756 -0.0906 -0.0032 -0.0629 146 GLU A CA  
1784 C C   . GLU A 129 ? 0.1930 0.2508 0.2640 -0.0836 -0.0099 -0.0687 146 GLU A C   
1785 O O   . GLU A 129 ? 0.2132 0.2446 0.2690 -0.0841 -0.0054 -0.0730 146 GLU A O   
1786 C CB  . GLU A 129 ? 0.2088 0.2920 0.3372 -0.1070 -0.0092 -0.0720 146 GLU A CB  
1787 C CG  . GLU A 129 ? 0.2210 0.3267 0.3846 -0.1118 -0.0011 -0.0672 146 GLU A CG  
1788 C CD  . GLU A 129 ? 0.2266 0.3388 0.4115 -0.1241 -0.0060 -0.0717 146 GLU A CD  
1789 O OE1 . GLU A 129 ? 0.2351 0.3433 0.4144 -0.1290 -0.0213 -0.0802 146 GLU A OE1 
1790 O OE2 . GLU A 129 ? 0.2170 0.3380 0.4220 -0.1298 0.0061  -0.0677 146 GLU A OE2 
1797 N N   . GLU A 130 ? 0.1764 0.3433 0.3247 0.0025  0.0537  -0.0453 147 GLU A N   
1798 C CA  . GLU A 130 ? 0.1725 0.3034 0.2928 -0.0046 0.0318  -0.0464 147 GLU A CA  
1799 C C   . GLU A 130 ? 0.1668 0.2885 0.2673 -0.0316 0.0260  -0.0499 147 GLU A C   
1800 O O   . GLU A 130 ? 0.2020 0.2821 0.2636 -0.0324 0.0213  -0.0523 147 GLU A O   
1801 C CB  . GLU A 130 ? 0.1894 0.3468 0.3372 0.0071  0.0106  -0.0365 147 GLU A CB  
1802 C CG  . GLU A 130 ? 0.2336 0.4539 0.4240 -0.0036 0.0005  -0.0294 147 GLU A CG  
1803 C CD  . GLU A 130 ? 0.2075 0.4275 0.3754 -0.0287 -0.0156 -0.0335 147 GLU A CD  
1804 O OE1 . GLU A 130 ? 0.2560 0.4363 0.3797 -0.0278 -0.0201 -0.0380 147 GLU A OE1 
1805 O OE2 . GLU A 130 ? 0.2242 0.4851 0.4178 -0.0473 -0.0258 -0.0307 147 GLU A OE2 
1812 N N   . GLY A 131 ? 0.1748 0.3331 0.3010 -0.0530 0.0226  -0.0481 148 GLY A N   
1813 C CA  . GLY A 131 ? 0.2171 0.3497 0.3152 -0.0784 0.0086  -0.0551 148 GLY A CA  
1814 C C   . GLY A 131 ? 0.2401 0.3197 0.3005 -0.0898 0.0206  -0.0599 148 GLY A C   
1815 O O   . GLY A 131 ? 0.3033 0.3383 0.3252 -0.1008 0.0088  -0.0686 148 GLY A O   
1819 N N   . GLU A 132 ? 0.2271 0.3058 0.2908 -0.0835 0.0433  -0.0549 149 GLU A N   
1820 C CA  . GLU A 132 ? 0.2533 0.2922 0.2873 -0.0970 0.0557  -0.0535 149 GLU A CA  
1821 C C   . GLU A 132 ? 0.2634 0.2507 0.2527 -0.0790 0.0598  -0.0570 149 GLU A C   
1822 O O   . GLU A 132 ? 0.2834 0.2390 0.2469 -0.0869 0.0705  -0.0530 149 GLU A O   
1823 C CB  . GLU A 132 ? 0.2789 0.3594 0.3407 -0.1008 0.0801  -0.0410 149 GLU A CB  
1824 C CG  . GLU A 132 ? 0.3355 0.4901 0.4579 -0.1144 0.0778  -0.0281 149 GLU A CG  
1825 C CD  . GLU A 132 ? 0.3968 0.5996 0.5490 -0.1295 0.1010  -0.0058 149 GLU A CD  
1826 O OE1 . GLU A 132 ? 0.6060 0.7744 0.7297 -0.1470 0.1090  0.0002  149 GLU A OE1 
1827 O OE2 . GLU A 132 ? 0.4385 0.7205 0.6458 -0.1223 0.1121  0.0102  149 GLU A OE2 
1834 N N   . VAL A 133 ? 0.2328 0.2162 0.2161 -0.0576 0.0496  -0.0584 150 VAL A N   
1835 C CA  . VAL A 133 ? 0.2463 0.1933 0.1983 -0.0447 0.0506  -0.0536 150 VAL A CA  
1836 C C   . VAL A 133 ? 0.2827 0.1886 0.1999 -0.0506 0.0502  -0.0507 150 VAL A C   
1837 O O   . VAL A 133 ? 0.2993 0.1767 0.1922 -0.0500 0.0561  -0.0437 150 VAL A O   
1838 C CB  . VAL A 133 ? 0.2441 0.2009 0.2051 -0.0267 0.0351  -0.0465 150 VAL A CB  
1839 C CG1 . VAL A 133 ? 0.2453 0.2074 0.1997 -0.0209 0.0231  -0.0394 150 VAL A CG1 
1840 C CG2 . VAL A 133 ? 0.2728 0.1975 0.2115 -0.0199 0.0318  -0.0396 150 VAL A CG2 
1850 N N   . GLU A 134 ? 0.2868 0.1840 0.1956 -0.0531 0.0416  -0.0562 151 GLU A N   
1851 C CA  . GLU A 134 ? 0.3258 0.1753 0.1967 -0.0494 0.0417  -0.0548 151 GLU A CA  
1852 C C   . GLU A 134 ? 0.3637 0.1807 0.2232 -0.0715 0.0506  -0.0529 151 GLU A C   
1853 O O   . GLU A 134 ? 0.3880 0.1716 0.2227 -0.0669 0.0558  -0.0430 151 GLU A O   
1854 C CB  . GLU A 134 ? 0.3618 0.1958 0.2122 -0.0428 0.0297  -0.0673 151 GLU A CB  
1855 C CG  . GLU A 134 ? 0.3295 0.1947 0.1789 -0.0149 0.0243  -0.0623 151 GLU A CG  
1856 C CD  . GLU A 134 ? 0.2988 0.2151 0.1821 -0.0200 0.0150  -0.0648 151 GLU A CD  
1857 O OE1 . GLU A 134 ? 0.2990 0.2318 0.2114 -0.0422 0.0141  -0.0702 151 GLU A OE1 
1858 O OE2 . GLU A 134 ? 0.2689 0.2150 0.1517 0.0002  0.0093  -0.0570 151 GLU A OE2 
1865 N N   . ALA A 135 ? 0.3498 0.1846 0.2324 -0.0968 0.0518  -0.0561 152 ALA A N   
1866 C CA  . ALA A 135 ? 0.3802 0.1960 0.2590 -0.1219 0.0605  -0.0459 152 ALA A CA  
1867 C C   . ALA A 135 ? 0.3644 0.1928 0.2382 -0.1150 0.0800  -0.0343 152 ALA A C   
1868 O O   . ALA A 135 ? 0.4128 0.2112 0.2640 -0.1248 0.0870  -0.0221 152 ALA A O   
1869 C CB  . ALA A 135 ? 0.4155 0.2672 0.3321 -0.1527 0.0564  -0.0424 152 ALA A CB  
1875 N N   . LEU A 136 ? 0.3381 0.2046 0.2270 -0.0980 0.0866  -0.0382 153 LEU A N   
1876 C CA  . LEU A 136 ? 0.3339 0.1988 0.2018 -0.0881 0.1006  -0.0332 153 LEU A CA  
1877 C C   . LEU A 136 ? 0.3619 0.1819 0.1922 -0.0796 0.0914  -0.0266 153 LEU A C   
1878 O O   . LEU A 136 ? 0.4010 0.2002 0.2012 -0.0843 0.0990  -0.0167 153 LEU A O   
1879 C CB  . LEU A 136 ? 0.3402 0.2365 0.2238 -0.0673 0.1028  -0.0428 153 LEU A CB  
1880 C CG  . LEU A 136 ? 0.3880 0.2706 0.2378 -0.0497 0.1119  -0.0464 153 LEU A CG  
1881 C CD1 . LEU A 136 ? 0.4193 0.3297 0.2910 -0.0270 0.1140  -0.0580 153 LEU A CD1 
1882 C CD2 . LEU A 136 ? 0.4565 0.2900 0.2666 -0.0447 0.0926  -0.0435 153 LEU A CD2 
1894 N N   . LEU A 137 ? 0.3652 0.1781 0.1985 -0.0665 0.0749  -0.0273 154 LEU A N   
1895 C CA  . LEU A 137 ? 0.3651 0.1508 0.1743 -0.0574 0.0655  -0.0127 154 LEU A CA  
1896 C C   . LEU A 137 ? 0.3981 0.1577 0.1916 -0.0620 0.0682  -0.0048 154 LEU A C   
1897 O O   . LEU A 137 ? 0.4185 0.1734 0.2011 -0.0570 0.0629  0.0067  154 LEU A O   
1898 C CB  . LEU A 137 ? 0.3408 0.1437 0.1659 -0.0398 0.0513  -0.0081 154 LEU A CB  
1899 C CG  . LEU A 137 ? 0.3146 0.1438 0.1590 -0.0340 0.0399  -0.0085 154 LEU A CG  
1900 C CD1 . LEU A 137 ? 0.3143 0.1730 0.1808 -0.0199 0.0286  0.0009  154 LEU A CD1 
1901 C CD2 . LEU A 137 ? 0.3496 0.1583 0.1727 -0.0369 0.0283  0.0039  154 LEU A CD2 
1913 N N   . ASP A 138 ? 0.4086 0.1574 0.2080 -0.0701 0.0692  -0.0126 155 ASP A N   
1914 C CA  . ASP A 138 ? 0.4413 0.1617 0.2280 -0.0744 0.0666  -0.0056 155 ASP A CA  
1915 C C   . ASP A 138 ? 0.4404 0.1671 0.2241 -0.0887 0.0742  0.0054  155 ASP A C   
1916 O O   . ASP A 138 ? 0.4809 0.1922 0.2532 -0.0842 0.0702  0.0180  155 ASP A O   
1917 C CB  . ASP A 138 ? 0.4622 0.1664 0.2557 -0.0879 0.0590  -0.0162 155 ASP A CB  
1918 C CG  . ASP A 138 ? 0.4686 0.1535 0.2495 -0.0664 0.0481  -0.0283 155 ASP A CG  
1919 O OD1 . ASP A 138 ? 0.4893 0.1737 0.2574 -0.0397 0.0508  -0.0235 155 ASP A OD1 
1920 O OD2 . ASP A 138 ? 0.5380 0.2089 0.3199 -0.0756 0.0356  -0.0410 155 ASP A OD2 
1925 N N   . ARG A 139 ? 0.4361 0.1886 0.2312 -0.1050 0.0869  0.0030  156 ARG A N   
1926 C CA  . ARG A 139 ? 0.4524 0.2162 0.2407 -0.1152 0.0977  0.0163  156 ARG A CA  
1927 C C   . ARG A 139 ? 0.4446 0.2030 0.2065 -0.0995 0.0948  0.0194  156 ARG A C   
1928 O O   . ARG A 139 ? 0.4710 0.2244 0.2199 -0.1022 0.0941  0.0333  156 ARG A O   
1929 C CB  . ARG A 139 ? 0.5013 0.3085 0.3098 -0.1291 0.1171  0.0177  156 ARG A CB  
1930 C CG  . ARG A 139 ? 0.5368 0.3595 0.3826 -0.1508 0.1127  0.0179  156 ARG A CG  
1931 C CD  . ARG A 139 ? 0.5780 0.3942 0.4370 -0.1744 0.1054  0.0396  156 ARG A CD  
1932 N NE  . ARG A 139 ? 0.6744 0.4316 0.5183 -0.1727 0.0818  0.0349  156 ARG A NE  
1933 C CZ  . ARG A 139 ? 0.6595 0.3905 0.5020 -0.1682 0.0649  0.0168  156 ARG A CZ  
1934 N NH1 . ARG A 139 ? 0.5848 0.3444 0.4466 -0.1714 0.0646  0.0033  156 ARG A NH1 
1935 N NH2 . ARG A 139 ? 0.6757 0.3529 0.4956 -0.1570 0.0486  0.0126  156 ARG A NH2 
1949 N N   . TYR A 140 ? 0.4593 0.2179 0.2140 -0.0860 0.0892  0.0096  157 TYR A N   
1950 C CA  . TYR A 140 ? 0.4742 0.2229 0.2036 -0.0773 0.0782  0.0140  157 TYR A CA  
1951 C C   . TYR A 140 ? 0.4560 0.2008 0.1934 -0.0703 0.0606  0.0284  157 TYR A C   
1952 O O   . TYR A 140 ? 0.5168 0.2579 0.2389 -0.0721 0.0549  0.0400  157 TYR A O   
1953 C CB  . TYR A 140 ? 0.4733 0.2172 0.1938 -0.0688 0.0700  0.0045  157 TYR A CB  
1954 C CG  . TYR A 140 ? 0.4801 0.2025 0.1670 -0.0663 0.0517  0.0089  157 TYR A CG  
1955 C CD1 . TYR A 140 ? 0.4879 0.2179 0.1914 -0.0638 0.0265  0.0228  157 TYR A CD1 
1956 C CD2 . TYR A 140 ? 0.5104 0.2169 0.1564 -0.0632 0.0582  -0.0004 157 TYR A CD2 
1957 C CE1 . TYR A 140 ? 0.4939 0.2056 0.1705 -0.0685 0.0038  0.0286  157 TYR A CE1 
1958 C CE2 . TYR A 140 ? 0.5363 0.2100 0.1417 -0.0633 0.0353  0.0014  157 TYR A CE2 
1959 C CZ  . TYR A 140 ? 0.5543 0.2241 0.1722 -0.0715 0.0056  0.0166  157 TYR A CZ  
1960 O OH  . TYR A 140 ? 0.5985 0.2368 0.1809 -0.0786 -0.0225 0.0205  157 TYR A OH  
1970 N N   . PHE A 141 ? 0.4639 0.2126 0.2241 -0.0604 0.0543  0.0302  158 PHE A N   
1971 C CA  . PHE A 141 ? 0.4544 0.2070 0.2275 -0.0480 0.0432  0.0475  158 PHE A CA  
1972 C C   . PHE A 141 ? 0.6046 0.3317 0.3730 -0.0496 0.0490  0.0539  158 PHE A C   
1973 O O   . PHE A 141 ? 0.6213 0.3426 0.3962 -0.0354 0.0438  0.0678  158 PHE A O   
1974 C CB  . PHE A 141 ? 0.5025 0.2732 0.2972 -0.0313 0.0358  0.0518  158 PHE A CB  
1975 C CG  . PHE A 141 ? 0.4414 0.2396 0.2496 -0.0317 0.0226  0.0560  158 PHE A CG  
1976 C CD1 . PHE A 141 ? 0.4537 0.2758 0.2783 -0.0296 0.0086  0.0772  158 PHE A CD1 
1977 C CD2 . PHE A 141 ? 0.4426 0.2392 0.2471 -0.0352 0.0234  0.0415  158 PHE A CD2 
1978 C CE1 . PHE A 141 ? 0.4411 0.2757 0.2718 -0.0333 -0.0064 0.0804  158 PHE A CE1 
1979 C CE2 . PHE A 141 ? 0.4150 0.2242 0.2266 -0.0373 0.0068  0.0466  158 PHE A CE2 
1980 C CZ  . PHE A 141 ? 0.4166 0.2417 0.2399 -0.0381 -0.0097 0.0649  158 PHE A CZ  
1990 N N   . GLU A 142 ? 0.5540 0.2666 0.3136 -0.0673 0.0590  0.0480  159 GLU A N   
1991 C CA  . GLU A 142 ? 0.6691 0.3512 0.4265 -0.0754 0.0595  0.0560  159 GLU A CA  
1992 C C   . GLU A 142 ? 0.6763 0.3543 0.4320 -0.0708 0.0541  0.0781  159 GLU A C   
1993 O O   . GLU A 142 ? 0.7319 0.4314 0.4831 -0.0766 0.0551  0.0875  159 GLU A O   
1994 C CB  . GLU A 142 ? 0.6442 0.3315 0.4063 -0.1015 0.0687  0.0552  159 GLU A CB  
1995 C CG  . GLU A 142 ? 0.8466 0.5039 0.6151 -0.1186 0.0640  0.0674  159 GLU A CG  
1996 C CD  . GLU A 142 ? 0.8747 0.5557 0.6626 -0.1475 0.0722  0.0739  159 GLU A CD  
1997 O OE1 . GLU A 142 ? 0.7680 0.4889 0.5608 -0.1496 0.0855  0.0670  159 GLU A OE1 
1998 O OE2 . GLU A 142 ? 0.9884 0.6502 0.7901 -0.1676 0.0655  0.0887  159 GLU A OE2 
2005 N N   . PRO B 4   ? 0.4094 0.3803 0.4333 0.0112  -0.0657 -0.2062 21  PRO B N   
2006 C CA  . PRO B 4   ? 0.4597 0.4242 0.4845 0.0141  -0.0707 -0.1888 21  PRO B CA  
2007 C C   . PRO B 4   ? 0.4737 0.4480 0.4863 0.0096  -0.0528 -0.1852 21  PRO B C   
2008 O O   . PRO B 4   ? 0.4309 0.4253 0.4799 0.0157  -0.0392 -0.1899 21  PRO B O   
2009 C CB  . PRO B 4   ? 0.4722 0.4479 0.5576 0.0235  -0.0754 -0.1841 21  PRO B CB  
2010 C CG  . PRO B 4   ? 0.4622 0.4400 0.5730 0.0253  -0.0721 -0.1935 21  PRO B CG  
2011 C CD  . PRO B 4   ? 0.4917 0.4682 0.5713 0.0226  -0.0706 -0.2100 21  PRO B CD  
2019 N N   . ALA B 5   ? 0.3772 0.3325 0.3384 -0.0011 -0.0586 -0.1756 22  ALA B N   
2020 C CA  . ALA B 5   ? 0.3629 0.3281 0.2982 -0.0143 -0.0407 -0.1709 22  ALA B CA  
2021 C C   . ALA B 5   ? 0.3330 0.3008 0.3020 -0.0004 -0.0384 -0.1510 22  ALA B C   
2022 O O   . ALA B 5   ? 0.3377 0.2872 0.3084 0.0097  -0.0573 -0.1396 22  ALA B O   
2023 C CB  . ALA B 5   ? 0.4973 0.4282 0.3434 -0.0430 -0.0531 -0.1618 22  ALA B CB  
2029 N N   . LEU B 6   ? 0.2912 0.2859 0.2885 0.0009  -0.0177 -0.1521 23  LEU B N   
2030 C CA  . LEU B 6   ? 0.2690 0.2683 0.2969 0.0103  -0.0140 -0.1343 23  LEU B CA  
2031 C C   . LEU B 6   ? 0.2650 0.2687 0.2633 -0.0018 -0.0015 -0.1253 23  LEU B C   
2032 O O   . LEU B 6   ? 0.3075 0.3343 0.2922 -0.0154 0.0135  -0.1399 23  LEU B O   
2033 C CB  . LEU B 6   ? 0.2686 0.2832 0.3542 0.0206  -0.0103 -0.1390 23  LEU B CB  
2034 C CG  . LEU B 6   ? 0.2782 0.2850 0.3903 0.0253  -0.0241 -0.1475 23  LEU B CG  
2035 C CD1 . LEU B 6   ? 0.3256 0.3282 0.4778 0.0313  -0.0309 -0.1557 23  LEU B CD1 
2036 C CD2 . LEU B 6   ? 0.3253 0.3322 0.4488 0.0236  -0.0331 -0.1341 23  LEU B CD2 
2048 N N   . TYR B 7   ? 0.2463 0.2358 0.2382 0.0019  -0.0073 -0.1064 24  TYR B N   
2049 C CA  . TYR B 7   ? 0.2627 0.2499 0.2260 -0.0101 0.0007  -0.0947 24  TYR B CA  
2050 C C   . TYR B 7   ? 0.2278 0.2312 0.2350 0.0018  0.0083  -0.0846 24  TYR B C   
2051 O O   . TYR B 7   ? 0.2316 0.2319 0.2579 0.0129  -0.0001 -0.0788 24  TYR B O   
2052 C CB  . TYR B 7   ? 0.3173 0.2574 0.2202 -0.0176 -0.0231 -0.0826 24  TYR B CB  
2053 C CG  . TYR B 7   ? 0.3494 0.2727 0.2062 -0.0375 -0.0215 -0.0683 24  TYR B CG  
2054 C CD1 . TYR B 7   ? 0.3147 0.2459 0.1960 -0.0268 -0.0162 -0.0586 24  TYR B CD1 
2055 C CD2 . TYR B 7   ? 0.4155 0.3138 0.1961 -0.0741 -0.0266 -0.0639 24  TYR B CD2 
2056 C CE1 . TYR B 7   ? 0.3394 0.2525 0.1772 -0.0467 -0.0169 -0.0456 24  TYR B CE1 
2057 C CE2 . TYR B 7   ? 0.4691 0.3494 0.2012 -0.1005 -0.0272 -0.0490 24  TYR B CE2 
2058 C CZ  . TYR B 7   ? 0.4344 0.3207 0.1977 -0.0840 -0.0232 -0.0402 24  TYR B CZ  
2059 O OH  . TYR B 7   ? 0.4765 0.3445 0.1970 -0.1100 -0.0251 -0.0243 24  TYR B OH  
2069 N N   . PHE B 8   ? 0.2046 0.2307 0.2276 -0.0027 0.0229  -0.0861 25  PHE B N   
2070 C CA  . PHE B 8   ? 0.1867 0.2202 0.2419 0.0042  0.0256  -0.0738 25  PHE B CA  
2071 C C   . PHE B 8   ? 0.1818 0.2108 0.2087 -0.0048 0.0301  -0.0602 25  PHE B C   
2072 O O   . PHE B 8   ? 0.2079 0.2447 0.2067 -0.0204 0.0377  -0.0646 25  PHE B O   
2073 C CB  . PHE B 8   ? 0.1734 0.2257 0.2724 0.0111  0.0265  -0.0859 25  PHE B CB  
2074 C CG  . PHE B 8   ? 0.1487 0.1961 0.2679 0.0128  0.0217  -0.0693 25  PHE B CG  
2075 C CD1 . PHE B 8   ? 0.1730 0.2033 0.3015 0.0094  0.0121  -0.0532 25  PHE B CD1 
2076 C CD2 . PHE B 8   ? 0.1648 0.2270 0.2856 0.0106  0.0268  -0.0688 25  PHE B CD2 
2077 C CE1 . PHE B 8   ? 0.1768 0.1987 0.3084 0.0015  0.0066  -0.0349 25  PHE B CE1 
2078 C CE2 . PHE B 8   ? 0.1662 0.2175 0.2975 0.0098  0.0186  -0.0511 25  PHE B CE2 
2079 C CZ  . PHE B 8   ? 0.1615 0.1894 0.2937 0.0038  0.0081  -0.0327 25  PHE B CZ  
2089 N N   . CYS B 9   ? 0.1600 0.1824 0.1936 0.0002  0.0266  -0.0467 26  CYS B N   
2090 C CA  . CYS B 9   ? 0.1602 0.1752 0.1704 -0.0056 0.0279  -0.0349 26  CYS B CA  
2091 C C   . CYS B 9   ? 0.1403 0.1699 0.1791 -0.0057 0.0333  -0.0249 26  CYS B C   
2092 O O   . CYS B 9   ? 0.1418 0.1769 0.2038 -0.0044 0.0311  -0.0215 26  CYS B O   
2093 C CB  . CYS B 9   ? 0.1816 0.1761 0.1716 0.0028  0.0138  -0.0344 26  CYS B CB  
2094 S SG  . CYS B 9   ? 0.2258 0.1903 0.1894 0.0108  -0.0092 -0.0466 26  CYS B SG  
2100 N N   . GLY B 10  ? 0.1660 0.1596 0.1892 -0.0079 -0.0102 -0.0276 27  GLY B N   
2101 C CA  . GLY B 10  ? 0.1439 0.1599 0.1869 -0.0001 0.0024  -0.0242 27  GLY B CA  
2102 C C   . GLY B 10  ? 0.1356 0.1657 0.1698 0.0020  0.0125  -0.0266 27  GLY B C   
2103 O O   . GLY B 10  ? 0.1656 0.1902 0.1809 -0.0007 0.0153  -0.0321 27  GLY B O   
2107 N N   . SER B 11  ? 0.1198 0.1636 0.1647 0.0057  0.0173  -0.0214 28  SER B N   
2108 C CA  . SER B 11  ? 0.1167 0.1701 0.1556 0.0062  0.0205  -0.0215 28  SER B CA  
2109 C C   . SER B 11  ? 0.1191 0.1765 0.1598 0.0081  0.0252  -0.0253 28  SER B C   
2110 O O   . SER B 11  ? 0.1233 0.1794 0.1746 0.0122  0.0279  -0.0264 28  SER B O   
2111 C CB  . SER B 11  ? 0.1175 0.1724 0.1576 0.0092  0.0216  -0.0153 28  SER B CB  
2112 O OG  . SER B 11  ? 0.1276 0.1850 0.1591 0.0085  0.0189  -0.0145 28  SER B OG  
2118 N N   . ILE B 12  ? 0.1198 0.1827 0.1564 0.0053  0.0274  -0.0261 29  ILE B N   
2119 C CA  . ILE B 12  ? 0.1261 0.1968 0.1772 0.0073  0.0352  -0.0263 29  ILE B CA  
2120 C C   . ILE B 12  ? 0.1322 0.2133 0.1939 0.0058  0.0270  -0.0194 29  ILE B C   
2121 O O   . ILE B 12  ? 0.1281 0.2120 0.2059 0.0082  0.0193  -0.0139 29  ILE B O   
2122 C CB  . ILE B 12  ? 0.1480 0.2106 0.1845 0.0044  0.0481  -0.0321 29  ILE B CB  
2123 C CG1 . ILE B 12  ? 0.1863 0.2276 0.2022 0.0051  0.0518  -0.0398 29  ILE B CG1 
2124 C CG2 . ILE B 12  ? 0.1649 0.2382 0.2280 0.0076  0.0626  -0.0303 29  ILE B CG2 
2125 C CD1 . ILE B 12  ? 0.2462 0.2657 0.2300 0.0010  0.0649  -0.0466 29  ILE B CD1 
2137 N N   . ARG B 13  ? 0.1229 0.2048 0.1734 0.0006  0.0246  -0.0188 30  ARG B N   
2138 C CA  . ARG B 13  ? 0.1245 0.2109 0.1820 -0.0015 0.0135  -0.0127 30  ARG B CA  
2139 C C   . ARG B 13  ? 0.1323 0.2070 0.1722 -0.0005 0.0027  -0.0113 30  ARG B C   
2140 O O   . ARG B 13  ? 0.1638 0.2322 0.2013 -0.0019 -0.0100 -0.0066 30  ARG B O   
2141 C CB  . ARG B 13  ? 0.1356 0.2252 0.1888 -0.0075 0.0141  -0.0119 30  ARG B CB  
2142 C CG  . ARG B 13  ? 0.1438 0.2404 0.2107 -0.0090 0.0301  -0.0114 30  ARG B CG  
2143 C CD  . ARG B 13  ? 0.1333 0.2310 0.1941 -0.0164 0.0311  -0.0081 30  ARG B CD  
2144 N NE  . ARG B 13  ? 0.1440 0.2428 0.2108 -0.0178 0.0534  -0.0074 30  ARG B NE  
2145 C CZ  . ARG B 13  ? 0.1805 0.2736 0.2313 -0.0254 0.0616  -0.0049 30  ARG B CZ  
2146 N NH1 . ARG B 13  ? 0.1682 0.2587 0.2053 -0.0325 0.0452  -0.0017 30  ARG B NH1 
2147 N NH2 . ARG B 13  ? 0.2053 0.2913 0.2508 -0.0261 0.0885  -0.0056 30  ARG B NH2 
2161 N N   . GLY B 14  ? 0.1333 0.2008 0.1601 0.0016  0.0078  -0.0145 31  GLY B N   
2162 C CA  . GLY B 14  ? 0.1431 0.1961 0.1529 0.0037  0.0055  -0.0123 31  GLY B CA  
2163 C C   . GLY B 14  ? 0.1652 0.2118 0.1757 0.0055  -0.0003 -0.0074 31  GLY B C   
2164 O O   . GLY B 14  ? 0.2017 0.2284 0.1871 0.0055  -0.0038 -0.0041 31  GLY B O   
2168 N N   . GLY B 15  ? 0.1442 0.2028 0.1806 0.0069  -0.0006 -0.0065 32  GLY B N   
2169 C CA  . GLY B 15  ? 0.1618 0.2156 0.2092 0.0085  -0.0085 -0.0007 32  GLY B CA  
2170 C C   . GLY B 15  ? 0.1545 0.2160 0.2203 0.0126  0.0017  -0.0043 32  GLY B C   
2171 O O   . GLY B 15  ? 0.1452 0.2057 0.2015 0.0133  0.0109  -0.0091 32  GLY B O   
2175 N N   . ARG B 16  ? 0.1426 0.2091 0.2383 0.0153  -0.0019 -0.0014 33  ARG B N   
2176 C CA  . ARG B 16  ? 0.1286 0.1982 0.2429 0.0202  0.0079  -0.0063 33  ARG B CA  
2177 C C   . ARG B 16  ? 0.1490 0.2090 0.2673 0.0213  -0.0019 0.0000  33  ARG B C   
2178 O O   . ARG B 16  ? 0.1415 0.2027 0.2849 0.0258  0.0009  -0.0019 33  ARG B O   
2179 C CB  . ARG B 16  ? 0.1373 0.2184 0.2882 0.0239  0.0172  -0.0088 33  ARG B CB  
2180 C CG  . ARG B 16  ? 0.1469 0.2354 0.2913 0.0210  0.0270  -0.0121 33  ARG B CG  
2181 C CD  . ARG B 16  ? 0.1729 0.2669 0.3419 0.0251  0.0481  -0.0172 33  ARG B CD  
2182 N NE  . ARG B 16  ? 0.1615 0.2405 0.3039 0.0275  0.0627  -0.0289 33  ARG B NE  
2183 C CZ  . ARG B 16  ? 0.1962 0.2674 0.3388 0.0309  0.0862  -0.0370 33  ARG B CZ  
2184 N NH1 . ARG B 16  ? 0.2254 0.3080 0.4023 0.0332  0.1025  -0.0336 33  ARG B NH1 
2185 N NH2 . ARG B 16  ? 0.2307 0.2781 0.3376 0.0317  0.0940  -0.0480 33  ARG B NH2 
2199 N N   . GLU B 17  ? 0.1520 0.1982 0.2417 0.0172  -0.0111 0.0072  34  GLU B N   
2200 C CA  . GLU B 17  ? 0.1759 0.2078 0.2611 0.0162  -0.0204 0.0158  34  GLU B CA  
2201 C C   . GLU B 17  ? 0.1626 0.1974 0.2613 0.0198  -0.0117 0.0123  34  GLU B C   
2202 O O   . GLU B 17  ? 0.1715 0.2015 0.2887 0.0211  -0.0200 0.0174  34  GLU B O   
2203 C CB  . GLU B 17  ? 0.2263 0.2359 0.2647 0.0110  -0.0225 0.0223  34  GLU B CB  
2204 C CG  . GLU B 17  ? 0.2753 0.2686 0.2902 0.0060  -0.0386 0.0272  34  GLU B CG  
2205 C CD  . GLU B 17  ? 0.2472 0.2461 0.2485 0.0058  -0.0309 0.0198  34  GLU B CD  
2206 O OE1 . GLU B 17  ? 0.2150 0.2365 0.2376 0.0092  -0.0176 0.0114  34  GLU B OE1 
2207 O OE2 . GLU B 17  ? 0.3218 0.2968 0.2857 0.0014  -0.0405 0.0227  34  GLU B OE2 
2214 N N   . ASP B 18  ? 0.1501 0.1897 0.2421 0.0207  0.0010  0.0047  35  ASP B N   
2215 C CA  . ASP B 18  ? 0.1492 0.1855 0.2506 0.0222  0.0041  0.0029  35  ASP B CA  
2216 C C   . ASP B 18  ? 0.1389 0.1768 0.2550 0.0263  0.0086  -0.0089 35  ASP B C   
2217 O O   . ASP B 18  ? 0.1553 0.1846 0.2710 0.0264  0.0087  -0.0129 35  ASP B O   
2218 C CB  . ASP B 18  ? 0.1515 0.1853 0.2399 0.0191  0.0110  0.0050  35  ASP B CB  
2219 C CG  . ASP B 18  ? 0.1517 0.1765 0.2229 0.0163  0.0147  0.0164  35  ASP B CG  
2220 O OD1 . ASP B 18  ? 0.1884 0.2030 0.2520 0.0151  0.0080  0.0244  35  ASP B OD1 
2221 O OD2 . ASP B 18  ? 0.1540 0.1781 0.2194 0.0149  0.0254  0.0183  35  ASP B OD2 
2226 N N   . ARG B 19  ? 0.1842 0.1728 0.3177 0.0336  0.0623  0.0243  36  ARG B N   
2227 C CA  . ARG B 19  ? 0.1903 0.2028 0.3333 0.0408  0.0680  0.0116  36  ARG B CA  
2228 C C   . ARG B 19  ? 0.2041 0.2006 0.3555 0.0507  0.0691  -0.0041 36  ARG B C   
2229 O O   . ARG B 19  ? 0.2167 0.2225 0.3671 0.0529  0.0747  -0.0189 36  ARG B O   
2230 C CB  . ARG B 19  ? 0.1975 0.2428 0.3530 0.0429  0.0686  0.0156  36  ARG B CB  
2231 C CG  . ARG B 19  ? 0.2150 0.3014 0.3789 0.0439  0.0799  -0.0022 36  ARG B CG  
2232 C CD  . ARG B 19  ? 0.1687 0.3042 0.3533 0.0409  0.0838  -0.0045 36  ARG B CD  
2233 N NE  . ARG B 19  ? 0.1914 0.3789 0.3770 0.0318  0.1007  -0.0253 36  ARG B NE  
2234 C CZ  . ARG B 19  ? 0.1730 0.4213 0.3668 0.0139  0.1119  -0.0317 36  ARG B CZ  
2235 N NH1 . ARG B 19  ? 0.2130 0.4756 0.4188 0.0062  0.1050  -0.0173 36  ARG B NH1 
2236 N NH2 . ARG B 19  ? 0.2554 0.5372 0.4334 0.0005  0.1254  -0.0490 36  ARG B NH2 
2250 N N   . THR B 20  ? 0.2166 0.1793 0.3690 0.0559  0.0584  -0.0010 37  THR B N   
2251 C CA  . THR B 20  ? 0.2548 0.1857 0.4058 0.0649  0.0499  -0.0155 37  THR B CA  
2252 C C   . THR B 20  ? 0.2365 0.1496 0.3691 0.0470  0.0563  -0.0192 37  THR B C   
2253 O O   . THR B 20  ? 0.2669 0.1749 0.4004 0.0530  0.0559  -0.0351 37  THR B O   
2254 C CB  . THR B 20  ? 0.3188 0.1950 0.4585 0.0688  0.0260  -0.0078 37  THR B CB  
2255 O OG1 . THR B 20  ? 0.3412 0.2428 0.5077 0.0890  0.0167  -0.0101 37  THR B OG1 
2256 C CG2 . THR B 20  ? 0.3791 0.2040 0.5069 0.0777  0.0066  -0.0223 37  THR B CG2 
2264 N N   . LEU B 21  ? 0.2515 0.1619 0.3707 0.0250  0.0622  -0.0089 38  LEU B N   
2265 C CA  . LEU B 21  ? 0.2416 0.1542 0.3545 0.0062  0.0699  -0.0191 38  LEU B CA  
2266 C C   . LEU B 21  ? 0.2190 0.1670 0.3476 0.0164  0.0749  -0.0335 38  LEU B C   
2267 O O   . LEU B 21  ? 0.2450 0.1900 0.3738 0.0114  0.0754  -0.0473 38  LEU B O   
2268 C CB  . LEU B 21  ? 0.2736 0.1973 0.3790 -0.0163 0.0774  -0.0144 38  LEU B CB  
2269 C CG  . LEU B 21  ? 0.3275 0.2732 0.4358 -0.0405 0.0880  -0.0319 38  LEU B CG  
2270 C CD1 . LEU B 21  ? 0.3725 0.2795 0.4560 -0.0667 0.0864  -0.0328 38  LEU B CD1 
2271 C CD2 . LEU B 21  ? 0.3237 0.2945 0.4301 -0.0569 0.0971  -0.0338 38  LEU B CD2 
2283 N N   . TYR B 22  ? 0.1940 0.1683 0.3281 0.0267  0.0748  -0.0291 39  TYR B N   
2284 C CA  . TYR B 22  ? 0.1941 0.1857 0.3264 0.0311  0.0725  -0.0396 39  TYR B CA  
2285 C C   . TYR B 22  ? 0.2119 0.1998 0.3415 0.0391  0.0756  -0.0514 39  TYR B C   
2286 O O   . TYR B 22  ? 0.2233 0.2103 0.3470 0.0377  0.0729  -0.0643 39  TYR B O   
2287 C CB  . TYR B 22  ? 0.1797 0.1847 0.3011 0.0323  0.0667  -0.0285 39  TYR B CB  
2288 C CG  . TYR B 22  ? 0.1499 0.1543 0.2709 0.0292  0.0579  -0.0202 39  TYR B CG  
2289 C CD1 . TYR B 22  ? 0.1576 0.1651 0.2917 0.0254  0.0584  -0.0306 39  TYR B CD1 
2290 C CD2 . TYR B 22  ? 0.1619 0.1665 0.2677 0.0273  0.0493  -0.0053 39  TYR B CD2 
2291 C CE1 . TYR B 22  ? 0.1565 0.1694 0.2915 0.0260  0.0503  -0.0298 39  TYR B CE1 
2292 C CE2 . TYR B 22  ? 0.1594 0.1573 0.2612 0.0274  0.0370  0.0008  39  TYR B CE2 
2293 C CZ  . TYR B 22  ? 0.1441 0.1468 0.2619 0.0300  0.0369  -0.0135 39  TYR B CZ  
2294 O OH  . TYR B 22  ? 0.1501 0.1506 0.2650 0.0331  0.0248  -0.0134 39  TYR B OH  
2304 N N   . GLU B 23  ? 0.2141 0.2020 0.3500 0.0503  0.0783  -0.0514 40  GLU B N   
2305 C CA  . GLU B 23  ? 0.2492 0.2399 0.3869 0.0629  0.0804  -0.0712 40  GLU B CA  
2306 C C   . GLU B 23  ? 0.2728 0.2248 0.4049 0.0613  0.0725  -0.0810 40  GLU B C   
2307 O O   . GLU B 23  ? 0.2740 0.2247 0.3988 0.0650  0.0724  -0.0974 40  GLU B O   
2308 C CB  . GLU B 23  ? 0.2475 0.2539 0.3990 0.0794  0.0772  -0.0762 40  GLU B CB  
2309 C CG  . GLU B 23  ? 0.3737 0.3904 0.5246 0.0956  0.0747  -0.1002 40  GLU B CG  
2310 C CD  . GLU B 23  ? 0.6148 0.6631 0.7513 0.0866  0.0899  -0.1126 40  GLU B CD  
2311 O OE1 . GLU B 23  ? 0.5695 0.6051 0.6956 0.0930  0.0873  -0.1295 40  GLU B OE1 
2312 O OE2 . GLU B 23  ? 0.4603 0.5401 0.5903 0.0705  0.1032  -0.1062 40  GLU B OE2 
2319 N N   . ARG B 24  ? 0.2742 0.1923 0.4017 0.0497  0.0651  -0.0701 41  ARG B N   
2320 C CA  . ARG B 24  ? 0.3159 0.1948 0.4292 0.0358  0.0571  -0.0764 41  ARG B CA  
2321 C C   . ARG B 24  ? 0.2983 0.2001 0.4148 0.0215  0.0636  -0.0853 41  ARG B C   
2322 O O   . ARG B 24  ? 0.3130 0.1979 0.4228 0.0181  0.0582  -0.0985 41  ARG B O   
2323 C CB  . ARG B 24  ? 0.3473 0.1878 0.4422 0.0121  0.0502  -0.0605 41  ARG B CB  
2324 C CG  . ARG B 24  ? 0.4771 0.2651 0.5574 0.0249  0.0286  -0.0547 41  ARG B CG  
2325 C CD  . ARG B 24  ? 0.5327 0.2699 0.5764 -0.0085 0.0187  -0.0349 41  ARG B CD  
2326 N NE  . ARG B 24  ? 0.5257 0.2440 0.5426 -0.0499 0.0230  -0.0352 41  ARG B NE  
2327 C CZ  . ARG B 24  ? 0.5609 0.2626 0.5450 -0.0946 0.0280  -0.0222 41  ARG B CZ  
2328 N NH1 . ARG B 24  ? 0.6089 0.3092 0.5821 -0.1012 0.0303  -0.0066 41  ARG B NH1 
2329 N NH2 . ARG B 24  ? 0.6334 0.3227 0.5925 -0.1380 0.0320  -0.0265 41  ARG B NH2 
2343 N N   . ILE B 25  ? 0.2573 0.1942 0.3852 0.0149  0.0700  -0.0811 42  ILE B N   
2344 C CA  . ILE B 25  ? 0.2383 0.1984 0.3764 0.0081  0.0675  -0.0957 42  ILE B CA  
2345 C C   . ILE B 25  ? 0.2483 0.2076 0.3761 0.0226  0.0614  -0.1053 42  ILE B C   
2346 O O   . ILE B 25  ? 0.2741 0.2273 0.4009 0.0188  0.0548  -0.1202 42  ILE B O   
2347 C CB  . ILE B 25  ? 0.1987 0.1915 0.3522 0.0064  0.0667  -0.0952 42  ILE B CB  
2348 C CG1 . ILE B 25  ? 0.2003 0.2003 0.3599 -0.0151 0.0768  -0.0926 42  ILE B CG1 
2349 C CG2 . ILE B 25  ? 0.2129 0.2267 0.3803 0.0104  0.0530  -0.1159 42  ILE B CG2 
2350 C CD1 . ILE B 25  ? 0.2077 0.2362 0.3792 -0.0115 0.0769  -0.0920 42  ILE B CD1 
2362 N N   . VAL B 26  ? 0.2492 0.2162 0.3650 0.0342  0.0641  -0.0977 43  VAL B N   
2363 C CA  . VAL B 26  ? 0.2831 0.2511 0.3763 0.0386  0.0613  -0.1067 43  VAL B CA  
2364 C C   . VAL B 26  ? 0.2978 0.2493 0.3862 0.0455  0.0639  -0.1231 43  VAL B C   
2365 O O   . VAL B 26  ? 0.3207 0.2628 0.3929 0.0436  0.0572  -0.1362 43  VAL B O   
2366 C CB  . VAL B 26  ? 0.2787 0.2656 0.3549 0.0385  0.0683  -0.0964 43  VAL B CB  
2367 C CG1 . VAL B 26  ? 0.3209 0.3131 0.3646 0.0342  0.0724  -0.1084 43  VAL B CG1 
2368 C CG2 . VAL B 26  ? 0.2811 0.2684 0.3488 0.0303  0.0556  -0.0813 43  VAL B CG2 
2378 N N   . SER B 27  ? 0.2991 0.2393 0.3982 0.0553  0.0678  -0.1243 44  SER B N   
2379 C CA  . SER B 27  ? 0.3484 0.2633 0.4384 0.0654  0.0604  -0.1395 44  SER B CA  
2380 C C   . SER B 27  ? 0.3413 0.2274 0.4260 0.0516  0.0505  -0.1471 44  SER B C   
2381 O O   . SER B 27  ? 0.3903 0.2638 0.4582 0.0558  0.0441  -0.1611 44  SER B O   
2382 C CB  A SER B 27  ? 0.3578 0.2477 0.4538 0.0766  0.0513  -0.1353 44  SER B CB  
2383 C CB  B SER B 27  ? 0.3582 0.2486 0.4542 0.0770  0.0514  -0.1355 44  SER B CB  
2384 O OG  A SER B 27  ? 0.3814 0.3054 0.4871 0.0924  0.0572  -0.1350 44  SER B OG  
2385 O OG  B SER B 27  ? 0.4013 0.2512 0.4822 0.0862  0.0356  -0.1489 44  SER B OG  
2394 N N   . ARG B 28  ? 0.3312 0.2129 0.4276 0.0313  0.0487  -0.1372 45  ARG B N   
2395 C CA  . ARG B 28  ? 0.3481 0.2168 0.4444 0.0111  0.0404  -0.1462 45  ARG B CA  
2396 C C   . ARG B 28  ? 0.3342 0.2290 0.4356 0.0121  0.0354  -0.1582 45  ARG B C   
2397 O O   . ARG B 28  ? 0.3739 0.2546 0.4695 0.0068  0.0250  -0.1725 45  ARG B O   
2398 C CB  . ARG B 28  ? 0.3496 0.2218 0.4558 -0.0181 0.0439  -0.1366 45  ARG B CB  
2399 C CG  . ARG B 28  ? 0.4531 0.3108 0.5553 -0.0491 0.0372  -0.1467 45  ARG B CG  
2400 C CD  . ARG B 28  ? 0.5146 0.3030 0.5823 -0.0473 0.0206  -0.1476 45  ARG B CD  
2401 N NE  . ARG B 28  ? 0.5747 0.3267 0.6201 -0.0904 0.0117  -0.1449 45  ARG B NE  
2402 C CZ  . ARG B 28  ? 0.6123 0.2877 0.6146 -0.1037 -0.0069 -0.1332 45  ARG B CZ  
2403 N NH1 . ARG B 28  ? 0.6829 0.3161 0.6710 -0.0697 -0.0203 -0.1277 45  ARG B NH1 
2404 N NH2 . ARG B 28  ? 0.7277 0.3707 0.7005 -0.1518 -0.0174 -0.1277 45  ARG B NH2 
2418 N N   . LEU B 29  ? 0.3128 0.2367 0.4199 0.0186  0.0365  -0.1525 46  LEU B N   
2419 C CA  . LEU B 29  ? 0.3086 0.2406 0.4103 0.0210  0.0202  -0.1630 46  LEU B CA  
2420 C C   . LEU B 29  ? 0.3649 0.2723 0.4297 0.0275  0.0156  -0.1714 46  LEU B C   
2421 O O   . LEU B 29  ? 0.3685 0.2647 0.4239 0.0248  -0.0027 -0.1845 46  LEU B O   
2422 C CB  . LEU B 29  ? 0.3140 0.2611 0.4118 0.0267  0.0144  -0.1523 46  LEU B CB  
2423 C CG  . LEU B 29  ? 0.2846 0.2608 0.4192 0.0237  0.0129  -0.1528 46  LEU B CG  
2424 C CD1 . LEU B 29  ? 0.2733 0.2496 0.3945 0.0324  -0.0009 -0.1428 46  LEU B CD1 
2425 C CD2 . LEU B 29  ? 0.2793 0.2797 0.4499 0.0176  -0.0005 -0.1785 46  LEU B CD2 
2437 N N   . ARG B 30  ? 0.3820 0.2854 0.4271 0.0363  0.0310  -0.1686 47  ARG B N   
2438 C CA  . ARG B 30  ? 0.4327 0.3240 0.4414 0.0405  0.0317  -0.1831 47  ARG B CA  
2439 C C   . ARG B 30  ? 0.4741 0.3364 0.4795 0.0407  0.0201  -0.1986 47  ARG B C   
2440 O O   . ARG B 30  ? 0.4851 0.3330 0.4567 0.0407  0.0142  -0.2118 47  ARG B O   
2441 C CB  . ARG B 30  ? 0.4795 0.3892 0.4836 0.0527  0.0524  -0.1888 47  ARG B CB  
2442 C CG  . ARG B 30  ? 0.4575 0.3999 0.4594 0.0471  0.0647  -0.1730 47  ARG B CG  
2443 C CD  . ARG B 30  ? 0.5699 0.5490 0.5695 0.0554  0.0863  -0.1881 47  ARG B CD  
2444 N NE  . ARG B 30  ? 0.6119 0.6222 0.5877 0.0354  0.0969  -0.1749 47  ARG B NE  
2445 C CZ  . ARG B 30  ? 0.6253 0.6678 0.6239 0.0359  0.1078  -0.1643 47  ARG B CZ  
2446 N NH1 . ARG B 30  ? 0.5066 0.5542 0.5518 0.0586  0.1088  -0.1666 47  ARG B NH1 
2447 N NH2 . ARG B 30  ? 0.6942 0.7562 0.6609 0.0098  0.1133  -0.1497 47  ARG B NH2 
2461 N N   . ARG B 31  ? 0.4482 0.2993 0.4785 0.0354  0.0158  -0.1935 48  ARG B N   
2462 C CA  . ARG B 31  ? 0.4960 0.3174 0.5175 0.0284  0.0021  -0.2029 48  ARG B CA  
2463 C C   . ARG B 31  ? 0.4686 0.2970 0.4945 0.0165  -0.0145 -0.2101 48  ARG B C   
2464 O O   . ARG B 31  ? 0.5138 0.3195 0.5239 0.0121  -0.0270 -0.2193 48  ARG B O   
2465 C CB  . ARG B 31  ? 0.5075 0.3089 0.5459 0.0139  -0.0009 -0.1980 48  ARG B CB  
2466 C CG  . ARG B 31  ? 0.5250 0.3093 0.5604 0.0247  0.0052  -0.1889 48  ARG B CG  
2467 C CD  . ARG B 31  ? 0.6740 0.4068 0.6985 0.0046  -0.0092 -0.1863 48  ARG B CD  
2468 N NE  . ARG B 31  ? 0.7769 0.4731 0.7872 0.0175  -0.0155 -0.1781 48  ARG B NE  
2469 C CZ  . ARG B 31  ? 0.8119 0.4466 0.7969 -0.0014 -0.0339 -0.1706 48  ARG B CZ  
2470 N NH1 . ARG B 31  ? 0.7570 0.3651 0.7275 -0.0400 -0.0430 -0.1698 48  ARG B NH1 
2471 N NH2 . ARG B 31  ? 0.8664 0.4707 0.8408 0.0150  -0.0447 -0.1631 48  ARG B NH2 
2485 N N   . PHE B 32  ? 0.4604 0.3239 0.5138 -0.0195 0.1287  -0.1712 49  PHE B N   
2486 C CA  . PHE B 32  ? 0.4543 0.3375 0.4642 -0.0443 0.1037  -0.1922 49  PHE B CA  
2487 C C   . PHE B 32  ? 0.5200 0.4176 0.5121 -0.0486 0.0984  -0.1973 49  PHE B C   
2488 O O   . PHE B 32  ? 0.5732 0.4802 0.5211 -0.0717 0.0881  -0.2134 49  PHE B O   
2489 C CB  . PHE B 32  ? 0.4481 0.3830 0.4824 -0.0427 0.0633  -0.1855 49  PHE B CB  
2490 C CG  . PHE B 32  ? 0.4023 0.3331 0.4581 -0.0381 0.0637  -0.1770 49  PHE B CG  
2491 C CD1 . PHE B 32  ? 0.5113 0.4025 0.5350 -0.0533 0.0839  -0.1893 49  PHE B CD1 
2492 C CD2 . PHE B 32  ? 0.4976 0.4641 0.6029 -0.0212 0.0443  -0.1563 49  PHE B CD2 
2493 C CE1 . PHE B 32  ? 0.5268 0.4141 0.5716 -0.0481 0.0854  -0.1789 49  PHE B CE1 
2494 C CE2 . PHE B 32  ? 0.4604 0.4280 0.5853 -0.0177 0.0440  -0.1456 49  PHE B CE2 
2495 C CZ  . PHE B 32  ? 0.4570 0.3851 0.5538 -0.0292 0.0650  -0.1557 49  PHE B CZ  
2505 N N   . GLY B 33  ? 0.4376 0.3420 0.4639 -0.0283 0.1044  -0.1815 50  GLY B N   
2506 C CA  . GLY B 33  ? 0.5137 0.4323 0.5239 -0.0321 0.0994  -0.1845 50  GLY B CA  
2507 C C   . GLY B 33  ? 0.4241 0.3463 0.4755 -0.0095 0.1101  -0.1652 50  GLY B C   
2508 O O   . GLY B 33  ? 0.4765 0.3926 0.5698 0.0088  0.1230  -0.1476 50  GLY B O   
2512 N N   . THR B 34  ? 0.4216 0.3581 0.4616 -0.0119 0.1049  -0.1657 51  THR B N   
2513 C CA  . THR B 34  ? 0.4119 0.3586 0.4895 0.0063  0.1105  -0.1471 51  THR B CA  
2514 C C   . THR B 34  ? 0.3522 0.3390 0.4790 0.0174  0.0801  -0.1302 51  THR B C   
2515 O O   . THR B 34  ? 0.3478 0.3612 0.4686 0.0111  0.0519  -0.1343 51  THR B O   
2516 C CB  . THR B 34  ? 0.4183 0.3726 0.4670 -0.0020 0.1093  -0.1522 51  THR B CB  
2517 O OG1 . THR B 34  ? 0.4765 0.3938 0.4725 -0.0176 0.1383  -0.1695 51  THR B OG1 
2518 C CG2 . THR B 34  ? 0.4658 0.4340 0.5543 0.0152  0.1123  -0.1323 51  THR B CG2 
2526 N N   . VAL B 35  ? 0.3400 0.3324 0.5141 0.0328  0.0872  -0.1100 52  VAL B N   
2527 C CA  . VAL B 35  ? 0.2968 0.3280 0.5142 0.0378  0.0601  -0.0935 52  VAL B CA  
2528 C C   . VAL B 35  ? 0.3293 0.3735 0.5645 0.0428  0.0604  -0.0817 52  VAL B C   
2529 O O   . VAL B 35  ? 0.3515 0.3891 0.6076 0.0535  0.0840  -0.0669 52  VAL B O   
2530 C CB  . VAL B 35  ? 0.2875 0.3297 0.5476 0.0475  0.0640  -0.0734 52  VAL B CB  
2531 C CG1 . VAL B 35  ? 0.3391 0.4244 0.6382 0.0459  0.0358  -0.0567 52  VAL B CG1 
2532 C CG2 . VAL B 35  ? 0.3375 0.3652 0.5785 0.0420  0.0637  -0.0848 52  VAL B CG2 
2542 N N   . LEU B 36  ? 0.2710 0.3318 0.4979 0.0359  0.0369  -0.0871 53  LEU B N   
2543 C CA  . LEU B 36  ? 0.3151 0.3850 0.5544 0.0383  0.0363  -0.0772 53  LEU B CA  
2544 C C   . LEU B 36  ? 0.2478 0.3427 0.5356 0.0404  0.0272  -0.0560 53  LEU B C   
2545 O O   . LEU B 36  ? 0.3876 0.4889 0.6974 0.0447  0.0374  -0.0406 53  LEU B O   
2546 C CB  . LEU B 36  ? 0.2698 0.3456 0.4841 0.0314  0.0173  -0.0879 53  LEU B CB  
2547 C CG  . LEU B 36  ? 0.2947 0.3606 0.4621 0.0251  0.0205  -0.1045 53  LEU B CG  
2548 C CD1 . LEU B 36  ? 0.2993 0.3813 0.4543 0.0220  -0.0014 -0.1083 53  LEU B CD1 
2549 C CD2 . LEU B 36  ? 0.3920 0.4445 0.5374 0.0248  0.0426  -0.1045 53  LEU B CD2 
2561 N N   . GLY B 54  ? 0.3686 0.6298 0.9249 -0.1507 -0.0017 0.1474  71  GLY B N   
2562 C CA  . GLY B 54  ? 0.4333 0.6314 0.9405 -0.1440 -0.0019 0.1144  71  GLY B CA  
2563 C C   . GLY B 54  ? 0.4113 0.5950 0.8951 -0.1750 -0.0213 0.0948  71  GLY B C   
2564 O O   . GLY B 54  ? 0.4245 0.5522 0.8692 -0.1803 -0.0195 0.0707  71  GLY B O   
2567 N N   . GLY B 55  ? 0.4711 0.5726 0.3938 -0.0575 0.1768  -0.0691 72  GLY B N   
2568 C CA  . GLY B 55  ? 0.3521 0.4303 0.2857 -0.0691 0.1692  -0.0619 72  GLY B CA  
2569 C C   . GLY B 55  ? 0.3724 0.4246 0.2903 -0.0625 0.1554  -0.0632 72  GLY B C   
2570 O O   . GLY B 55  ? 0.3537 0.4083 0.2636 -0.0474 0.1471  -0.0743 72  GLY B O   
2574 N N   . ASP B 56  ? 0.3369 0.3639 0.2532 -0.0738 0.1494  -0.0520 73  ASP B N   
2575 C CA  . ASP B 56  ? 0.3131 0.3161 0.2195 -0.0670 0.1325  -0.0499 73  ASP B CA  
2576 C C   . ASP B 56  ? 0.3334 0.3187 0.2046 -0.0565 0.1359  -0.0412 73  ASP B C   
2577 O O   . ASP B 56  ? 0.3222 0.2981 0.1875 -0.0450 0.1209  -0.0432 73  ASP B O   
2578 C CB  . ASP B 56  ? 0.3222 0.3076 0.2337 -0.0835 0.1289  -0.0436 73  ASP B CB  
2579 C CG  . ASP B 56  ? 0.3220 0.3294 0.2678 -0.0947 0.1164  -0.0488 73  ASP B CG  
2580 O OD1 . ASP B 56  ? 0.3278 0.3600 0.3018 -0.0859 0.1079  -0.0562 73  ASP B OD1 
2581 O OD2 . ASP B 56  ? 0.3485 0.3497 0.2957 -0.1132 0.1142  -0.0458 73  ASP B OD2 
2586 N N   . ARG B 57  ? 0.3601 0.3434 0.2179 -0.0586 0.1458  -0.0265 74  ARG B N   
2587 C CA  A ARG B 57  ? 0.3737 0.3471 0.2047 -0.0499 0.1444  -0.0130 74  ARG B CA  
2588 C CA  B ARG B 57  ? 0.3741 0.3474 0.2049 -0.0499 0.1444  -0.0129 74  ARG B CA  
2589 C C   . ARG B 57  ? 0.3746 0.3692 0.1910 -0.0366 0.1378  -0.0259 74  ARG B C   
2590 O O   . ARG B 57  ? 0.3895 0.3729 0.1872 -0.0283 0.1283  -0.0227 74  ARG B O   
2591 C CB  A ARG B 57  ? 0.3987 0.3746 0.2227 -0.0573 0.1559  0.0075  74  ARG B CB  
2592 C CB  B ARG B 57  ? 0.3993 0.3745 0.2226 -0.0571 0.1558  0.0082  74  ARG B CB  
2593 C CG  A ARG B 57  ? 0.4488 0.4173 0.2486 -0.0526 0.1544  0.0285  74  ARG B CG  
2594 C CG  B ARG B 57  ? 0.4688 0.4516 0.2636 -0.0511 0.1550  0.0257  74  ARG B CG  
2595 C CD  A ARG B 57  ? 0.4393 0.3697 0.2411 -0.0497 0.1487  0.0370  74  ARG B CD  
2596 C CD  B ARG B 57  ? 0.4605 0.4112 0.2462 -0.0460 0.1471  0.0393  74  ARG B CD  
2597 N NE  A ARG B 57  ? 0.4666 0.3885 0.2539 -0.0474 0.1476  0.0644  74  ARG B NE  
2598 N NE  B ARG B 57  ? 0.4895 0.4335 0.2644 -0.0490 0.1487  0.0706  74  ARG B NE  
2599 C CZ  A ARG B 57  ? 0.4898 0.3813 0.2815 -0.0416 0.1430  0.0773  74  ARG B CZ  
2600 C CZ  B ARG B 57  ? 0.5222 0.4926 0.2718 -0.0480 0.1451  0.0853  74  ARG B CZ  
2601 N NH1 A ARG B 57  ? 0.4897 0.3584 0.2950 -0.0380 0.1411  0.0630  74  ARG B NH1 
2602 N NH1 B ARG B 57  ? 0.4893 0.4983 0.2219 -0.0444 0.1461  0.0687  74  ARG B NH1 
2603 N NH2 A ARG B 57  ? 0.5363 0.4245 0.3226 -0.0402 0.1392  0.1069  74  ARG B NH2 
2604 N NH2 B ARG B 57  ? 0.5417 0.5005 0.2862 -0.0504 0.1398  0.1174  74  ARG B NH2 
2631 N N   . LEU B 58  ? 0.3765 0.4017 0.2040 -0.0344 0.1428  -0.0427 75  LEU B N   
2632 C CA  . LEU B 58  ? 0.3857 0.4303 0.2041 -0.0218 0.1369  -0.0613 75  LEU B CA  
2633 C C   . LEU B 58  ? 0.3618 0.3956 0.1948 -0.0137 0.1206  -0.0793 75  LEU B C   
2634 O O   . LEU B 58  ? 0.3750 0.4086 0.1925 -0.0043 0.1091  -0.0871 75  LEU B O   
2635 C CB  . LEU B 58  ? 0.3975 0.4745 0.2321 -0.0209 0.1483  -0.0780 75  LEU B CB  
2636 C CG  . LEU B 58  ? 0.4310 0.5245 0.2691 -0.0086 0.1423  -0.1056 75  LEU B CG  
2637 C CD1 . LEU B 58  ? 0.4942 0.5849 0.2878 -0.0055 0.1376  -0.0976 75  LEU B CD1 
2638 C CD2 . LEU B 58  ? 0.4527 0.5776 0.3140 -0.0086 0.1566  -0.1237 75  LEU B CD2 
2650 N N   . ILE B 59  ? 0.3335 0.3602 0.2017 -0.0173 0.1137  -0.0823 76  ILE B N   
2651 C CA  . ILE B 59  ? 0.3098 0.3258 0.2019 -0.0096 0.0897  -0.0883 76  ILE B CA  
2652 C C   . ILE B 59  ? 0.3107 0.3015 0.1768 -0.0064 0.0790  -0.0730 76  ILE B C   
2653 O O   . ILE B 59  ? 0.3169 0.3051 0.1828 0.0038  0.0625  -0.0796 76  ILE B O   
2654 C CB  . ILE B 59  ? 0.2838 0.3001 0.2144 -0.0189 0.0820  -0.0845 76  ILE B CB  
2655 C CG1 . ILE B 59  ? 0.2981 0.3429 0.2691 -0.0188 0.0868  -0.0997 76  ILE B CG1 
2656 C CG2 . ILE B 59  ? 0.2689 0.2737 0.2177 -0.0158 0.0569  -0.0808 76  ILE B CG2 
2657 C CD1 . ILE B 59  ? 0.3212 0.3723 0.3240 -0.0335 0.0827  -0.0895 76  ILE B CD1 
2669 N N   . HIS B 60  ? 0.3156 0.2877 0.1646 -0.0151 0.0884  -0.0531 77  HIS B N   
2670 C CA  . HIS B 60  ? 0.3176 0.2668 0.1509 -0.0113 0.0807  -0.0380 77  HIS B CA  
2671 C C   . HIS B 60  ? 0.3402 0.2941 0.1457 -0.0018 0.0767  -0.0345 77  HIS B C   
2672 O O   . HIS B 60  ? 0.3370 0.2845 0.1410 0.0066  0.0597  -0.0332 77  HIS B O   
2673 C CB  . HIS B 60  ? 0.3357 0.2641 0.1639 -0.0219 0.0955  -0.0210 77  HIS B CB  
2674 C CG  . HIS B 60  ? 0.3319 0.2376 0.1524 -0.0167 0.0914  -0.0054 77  HIS B CG  
2675 N ND1 . HIS B 60  ? 0.3687 0.2691 0.1698 -0.0116 0.0946  0.0126  77  HIS B ND1 
2676 C CD2 . HIS B 60  ? 0.3428 0.2336 0.1764 -0.0165 0.0848  -0.0038 77  HIS B CD2 
2677 C CE1 . HIS B 60  ? 0.3620 0.2427 0.1703 -0.0066 0.0894  0.0250  77  HIS B CE1 
2678 N NE2 . HIS B 60  ? 0.3540 0.2288 0.1814 -0.0092 0.0853  0.0132  77  HIS B NE2 
2686 N N   . GLU B 61  ? 0.3677 0.3366 0.1501 -0.0052 0.0913  -0.0315 78  GLU B N   
2687 C CA  . GLU B 61  ? 0.3956 0.3751 0.1453 -0.0009 0.0869  -0.0250 78  GLU B CA  
2688 C C   . GLU B 61  ? 0.3980 0.3950 0.1484 0.0081  0.0725  -0.0521 78  GLU B C   
2689 O O   . GLU B 61  ? 0.4069 0.4030 0.1411 0.0132  0.0572  -0.0486 78  GLU B O   
2690 C CB  . GLU B 61  ? 0.4349 0.4346 0.1603 -0.0102 0.1054  -0.0134 78  GLU B CB  
2691 C CG  . GLU B 61  ? 0.4658 0.4446 0.1978 -0.0192 0.1163  0.0159  78  GLU B CG  
2692 C CD  . GLU B 61  ? 0.4756 0.4266 0.2015 -0.0153 0.1071  0.0422  78  GLU B CD  
2693 O OE1 . GLU B 61  ? 0.6062 0.5688 0.3065 -0.0145 0.1000  0.0594  78  GLU B OE1 
2694 O OE2 . GLU B 61  ? 0.4479 0.3708 0.1997 -0.0133 0.1051  0.0448  78  GLU B OE2 
2701 N N   . GLN B 62  ? 0.3857 0.3991 0.1596 0.0097  0.0765  -0.0796 79  GLN B N   
2702 C CA  . GLN B 62  ? 0.3887 0.4153 0.1734 0.0187  0.0635  -0.1094 79  GLN B CA  
2703 C C   . GLN B 62  ? 0.3676 0.3725 0.1765 0.0258  0.0380  -0.1067 79  GLN B C   
2704 O O   . GLN B 62  ? 0.3776 0.3840 0.1796 0.0316  0.0221  -0.1170 79  GLN B O   
2705 C CB  . GLN B 62  ? 0.4130 0.4558 0.2358 0.0205  0.0718  -0.1336 79  GLN B CB  
2706 C CG  . GLN B 62  ? 0.5120 0.5589 0.3682 0.0300  0.0563  -0.1620 79  GLN B CG  
2707 C CD  . GLN B 62  ? 0.5896 0.6489 0.4190 0.0299  0.0574  -0.1748 79  GLN B CD  
2708 O OE1 . GLN B 62  ? 0.6075 0.6877 0.4385 0.0282  0.0725  -0.1896 79  GLN B OE1 
2709 N NE2 . GLN B 62  ? 0.5719 0.6215 0.3767 0.0304  0.0411  -0.1697 79  GLN B NE2 
2718 N N   . ASP B 63  ? 0.3408 0.3285 0.1773 0.0233  0.0338  -0.0934 80  ASP B N   
2719 C CA  . ASP B 63  ? 0.3327 0.3051 0.1924 0.0272  0.0111  -0.0878 80  ASP B CA  
2720 C C   . ASP B 63  ? 0.3366 0.2964 0.1695 0.0296  0.0026  -0.0691 80  ASP B C   
2721 O O   . ASP B 63  ? 0.3435 0.3000 0.1858 0.0352  -0.0179 -0.0717 80  ASP B O   
2722 C CB  . ASP B 63  ? 0.2887 0.2524 0.1745 0.0191  0.0114  -0.0754 80  ASP B CB  
2723 C CG  . ASP B 63  ? 0.2802 0.2580 0.2075 0.0172  0.0084  -0.0896 80  ASP B CG  
2724 O OD1 . ASP B 63  ? 0.3178 0.3095 0.2615 0.0246  0.0074  -0.1119 80  ASP B OD1 
2725 O OD2 . ASP B 63  ? 0.2739 0.2502 0.2192 0.0070  0.0074  -0.0779 80  ASP B OD2 
2730 N N   . LEU B 64  ? 0.3409 0.2943 0.1460 0.0254  0.0170  -0.0484 81  LEU B N   
2731 C CA  . LEU B 64  ? 0.3510 0.2944 0.1389 0.0285  0.0086  -0.0270 81  LEU B CA  
2732 C C   . LEU B 64  ? 0.3950 0.3548 0.1583 0.0322  -0.0035 -0.0350 81  LEU B C   
2733 O O   . LEU B 64  ? 0.3862 0.3422 0.1483 0.0363  -0.0216 -0.0258 81  LEU B O   
2734 C CB  . LEU B 64  ? 0.3951 0.3287 0.1673 0.0231  0.0266  -0.0023 81  LEU B CB  
2735 C CG  . LEU B 64  ? 0.4798 0.3897 0.2720 0.0210  0.0334  0.0143  81  LEU B CG  
2736 C CD1 . LEU B 64  ? 0.5162 0.4168 0.2957 0.0184  0.0463  0.0404  81  LEU B CD1 
2737 C CD2 . LEU B 64  ? 0.4230 0.3243 0.2341 0.0272  0.0171  0.0189  81  LEU B CD2 
2749 N N   . GLU B 65  ? 0.3944 0.3760 0.1376 0.0290  0.0070  -0.0532 82  GLU B N   
2750 C CA  . GLU B 65  ? 0.4324 0.4352 0.1493 0.0292  -0.0030 -0.0695 82  GLU B CA  
2751 C C   . GLU B 65  ? 0.4115 0.4101 0.1571 0.0364  -0.0251 -0.0939 82  GLU B C   
2752 O O   . GLU B 65  ? 0.4259 0.4274 0.1598 0.0374  -0.0441 -0.0937 82  GLU B O   
2753 C CB  . GLU B 65  ? 0.4637 0.4920 0.1639 0.0222  0.0167  -0.0909 82  GLU B CB  
2754 C CG  . GLU B 65  ? 0.6051 0.6442 0.2667 0.0112  0.0310  -0.0652 82  GLU B CG  
2755 C CD  . GLU B 65  ? 0.7374 0.7984 0.3852 0.0053  0.0440  -0.0845 82  GLU B CD  
2756 O OE1 . GLU B 65  ? 0.7750 0.8429 0.4345 0.0039  0.0637  -0.0898 82  GLU B OE1 
2757 O OE2 . GLU B 65  ? 0.8137 0.8878 0.4405 0.0020  0.0344  -0.0944 82  GLU B OE2 
2764 N N   . TRP B 66  ? 0.3855 0.3782 0.1730 0.0403  -0.0247 -0.1126 83  TRP B N   
2765 C CA  . TRP B 66  ? 0.3864 0.3738 0.2109 0.0463  -0.0471 -0.1325 83  TRP B CA  
2766 C C   . TRP B 66  ? 0.3526 0.3219 0.1901 0.0477  -0.0675 -0.1072 83  TRP B C   
2767 O O   . TRP B 66  ? 0.3675 0.3353 0.2156 0.0503  -0.0894 -0.1150 83  TRP B O   
2768 C CB  . TRP B 66  ? 0.3745 0.3609 0.2496 0.0490  -0.0446 -0.1497 83  TRP B CB  
2769 C CG  . TRP B 66  ? 0.3983 0.4040 0.2831 0.0481  -0.0269 -0.1756 83  TRP B CG  
2770 C CD1 . TRP B 66  ? 0.4755 0.4962 0.3418 0.0453  -0.0207 -0.1936 83  TRP B CD1 
2771 C CD2 . TRP B 66  ? 0.4248 0.4379 0.3441 0.0487  -0.0136 -0.1847 83  TRP B CD2 
2772 N NE1 . TRP B 66  ? 0.4755 0.5119 0.3624 0.0457  -0.0030 -0.2136 83  TRP B NE1 
2773 C CE2 . TRP B 66  ? 0.5160 0.5488 0.4379 0.0483  0.0012  -0.2076 83  TRP B CE2 
2774 C CE3 . TRP B 66  ? 0.4804 0.4875 0.4295 0.0480  -0.0133 -0.1745 83  TRP B CE3 
2775 C CZ2 . TRP B 66  ? 0.5486 0.5958 0.5055 0.0497  0.0159  -0.2206 83  TRP B CZ2 
2776 C CZ3 . TRP B 66  ? 0.4848 0.5070 0.4679 0.0482  0.0003  -0.1885 83  TRP B CZ3 
2777 C CH2 . TRP B 66  ? 0.5108 0.5530 0.4997 0.0499  0.0147  -0.2099 83  TRP B CH2 
2788 N N   . LEU B 67  ? 0.3311 0.2880 0.1707 0.0452  -0.0598 -0.0790 84  LEU B N   
2789 C CA  . LEU B 67  ? 0.3208 0.2653 0.1742 0.0461  -0.0749 -0.0566 84  LEU B CA  
2790 C C   . LEU B 67  ? 0.3358 0.2836 0.1636 0.0482  -0.0867 -0.0454 84  LEU B C   
2791 O O   . LEU B 67  ? 0.3810 0.3265 0.2256 0.0502  -0.1080 -0.0409 84  LEU B O   
2792 C CB  . LEU B 67  ? 0.3232 0.2567 0.1791 0.0419  -0.0592 -0.0339 84  LEU B CB  
2793 C CG  . LEU B 67  ? 0.3803 0.3114 0.2673 0.0360  -0.0569 -0.0349 84  LEU B CG  
2794 C CD1 . LEU B 67  ? 0.3657 0.2880 0.2429 0.0296  -0.0356 -0.0196 84  LEU B CD1 
2795 C CD2 . LEU B 67  ? 0.3503 0.2817 0.2690 0.0354  -0.0796 -0.0296 84  LEU B CD2 
2807 N N   . GLN B 68  ? 0.3642 0.3206 0.1534 0.0458  -0.0747 -0.0380 85  GLN B N   
2808 C CA  . GLN B 68  ? 0.3909 0.3561 0.1544 0.0451  -0.0880 -0.0227 85  GLN B CA  
2809 C C   . GLN B 68  ? 0.4112 0.3904 0.1684 0.0440  -0.1083 -0.0497 85  GLN B C   
2810 O O   . GLN B 68  ? 0.4225 0.4092 0.1794 0.0405  -0.1242 -0.0372 85  GLN B O   
2811 C CB  . GLN B 68  ? 0.4285 0.4045 0.1530 0.0394  -0.0713 -0.0059 85  GLN B CB  
2812 C CG  . GLN B 68  ? 0.4525 0.4106 0.1890 0.0407  -0.0575 0.0272  85  GLN B CG  
2813 C CD  . GLN B 68  ? 0.5106 0.4772 0.2175 0.0341  -0.0430 0.0495  85  GLN B CD  
2814 O OE1 . GLN B 68  ? 0.5469 0.5193 0.2429 0.0326  -0.0523 0.0791  85  GLN B OE1 
2815 N NE2 . GLN B 68  ? 0.6101 0.5790 0.3082 0.0290  -0.0213 0.0391  85  GLN B NE2 
2824 N N   . GLN B 69  ? 0.4018 0.3885 0.1626 -0.0079 -0.0462 -0.0760 86  GLN B N   
2825 C CA  . GLN B 69  ? 0.4425 0.4258 0.1990 -0.0092 -0.0478 -0.0895 86  GLN B CA  
2826 C C   . GLN B 69  ? 0.3985 0.3894 0.1933 -0.0051 -0.0525 -0.0994 86  GLN B C   
2827 O O   . GLN B 69  ? 0.4389 0.4267 0.2342 -0.0061 -0.0557 -0.1106 86  GLN B O   
2828 C CB  . GLN B 69  ? 0.5148 0.4886 0.2498 -0.0094 -0.0297 -0.0953 86  GLN B CB  
2829 C CG  . GLN B 69  ? 0.6129 0.5806 0.3140 -0.0025 -0.0254 -0.0878 86  GLN B CG  
2830 C CD  . GLN B 69  ? 0.6988 0.6707 0.3913 -0.0017 -0.0041 -0.0939 86  GLN B CD  
2831 O OE1 . GLN B 69  ? 0.7349 0.7135 0.4149 -0.0033 0.0075  -0.0855 86  GLN B OE1 
2832 N NE2 . GLN B 69  ? 0.6827 0.6541 0.3903 -0.0026 0.0026  -0.1068 86  GLN B NE2 
2841 N N   . ALA B 70  ? 0.3814 0.3819 0.2075 -0.0017 -0.0521 -0.0956 87  ALA B N   
2842 C CA  . ALA B 70  ? 0.3599 0.3676 0.2226 0.0003  -0.0530 -0.1040 87  ALA B CA  
2843 C C   . ALA B 70  ? 0.3515 0.3603 0.2307 0.0004  -0.0705 -0.1056 87  ALA B C   
2844 O O   . ALA B 70  ? 0.3693 0.3778 0.2425 0.0011  -0.0825 -0.0976 87  ALA B O   
2845 C CB  . ALA B 70  ? 0.3446 0.3615 0.2332 0.0022  -0.0453 -0.0985 87  ALA B CB  
2851 N N   . ASP B 71  ? 0.3450 0.3551 0.2472 -0.0002 -0.0715 -0.1154 88  ASP B N   
2852 C CA  . ASP B 71  ? 0.3289 0.3434 0.2580 -0.0010 -0.0848 -0.1168 88  ASP B CA  
2853 C C   . ASP B 71  ? 0.3510 0.3739 0.3176 0.0000  -0.0817 -0.1132 88  ASP B C   
2854 O O   . ASP B 71  ? 0.3548 0.3840 0.3441 -0.0002 -0.0908 -0.1095 88  ASP B O   
2855 C CB  . ASP B 71  ? 0.3498 0.3590 0.2819 -0.0039 -0.0879 -0.1291 88  ASP B CB  
2856 C CG  . ASP B 71  ? 0.3653 0.3654 0.2593 -0.0061 -0.0920 -0.1341 88  ASP B CG  
2857 O OD1 . ASP B 71  ? 0.4501 0.4507 0.3281 -0.0067 -0.1032 -0.1281 88  ASP B OD1 
2858 O OD2 . ASP B 71  ? 0.4608 0.4529 0.3413 -0.0071 -0.0839 -0.1438 88  ASP B OD2 
2863 N N   . VAL B 72  ? 0.2677 0.2910 0.2423 0.0009  -0.0685 -0.1142 89  VAL B N   
2864 C CA  . VAL B 72  ? 0.2416 0.2707 0.2473 0.0009  -0.0640 -0.1088 89  VAL B CA  
2865 C C   . VAL B 72  ? 0.2139 0.2431 0.2122 0.0028  -0.0492 -0.1005 89  VAL B C   
2866 O O   . VAL B 72  ? 0.2366 0.2630 0.2204 0.0036  -0.0408 -0.1060 89  VAL B O   
2867 C CB  . VAL B 72  ? 0.2476 0.2741 0.2797 -0.0015 -0.0625 -0.1162 89  VAL B CB  
2868 C CG1 . VAL B 72  ? 0.2577 0.2882 0.3187 -0.0025 -0.0571 -0.1071 89  VAL B CG1 
2869 C CG2 . VAL B 72  ? 0.2999 0.3249 0.3370 -0.0042 -0.0739 -0.1214 89  VAL B CG2 
2879 N N   . VAL B 73  ? 0.1988 0.2320 0.2084 0.0034  -0.0460 -0.0882 90  VAL B N   
2880 C CA  . VAL B 73  ? 0.1943 0.2283 0.2018 0.0042  -0.0338 -0.0800 90  VAL B CA  
2881 C C   . VAL B 73  ? 0.1687 0.2038 0.2030 0.0039  -0.0288 -0.0770 90  VAL B C   
2882 O O   . VAL B 73  ? 0.2030 0.2403 0.2544 0.0029  -0.0324 -0.0729 90  VAL B O   
2883 C CB  . VAL B 73  ? 0.1903 0.2248 0.1862 0.0048  -0.0345 -0.0688 90  VAL B CB  
2884 C CG1 . VAL B 73  ? 0.1994 0.2347 0.1956 0.0045  -0.0231 -0.0610 90  VAL B CG1 
2885 C CG2 . VAL B 73  ? 0.2271 0.2573 0.1933 0.0048  -0.0402 -0.0699 90  VAL B CG2 
2895 N N   . VAL B 74  ? 0.1702 0.2040 0.2084 0.0050  -0.0205 -0.0786 91  VAL B N   
2896 C CA  . VAL B 74  ? 0.1589 0.1909 0.2182 0.0051  -0.0164 -0.0747 91  VAL B CA  
2897 C C   . VAL B 74  ? 0.1559 0.1907 0.2119 0.0064  -0.0090 -0.0658 91  VAL B C   
2898 O O   . VAL B 74  ? 0.1749 0.2125 0.2214 0.0078  -0.0041 -0.0682 91  VAL B O   
2899 C CB  . VAL B 74  ? 0.1791 0.2052 0.2482 0.0063  -0.0155 -0.0845 91  VAL B CB  
2900 C CG1 . VAL B 74  ? 0.1759 0.1973 0.2640 0.0067  -0.0121 -0.0781 91  VAL B CG1 
2901 C CG2 . VAL B 74  ? 0.1957 0.2181 0.2673 0.0040  -0.0241 -0.0951 91  VAL B CG2 
2911 N N   . ALA B 75  ? 0.1357 0.1702 0.1999 0.0054  -0.0077 -0.0566 92  ALA B N   
2912 C CA  . ALA B 75  ? 0.1299 0.1664 0.1896 0.0059  -0.0027 -0.0487 92  ALA B CA  
2913 C C   . ALA B 75  ? 0.1258 0.1582 0.1983 0.0062  -0.0009 -0.0431 92  ALA B C   
2914 O O   . ALA B 75  ? 0.1384 0.1671 0.2194 0.0043  -0.0016 -0.0401 92  ALA B O   
2915 C CB  . ALA B 75  ? 0.1313 0.1689 0.1811 0.0045  -0.0034 -0.0423 92  ALA B CB  
2921 N N   . GLU B 76  ? 0.1269 0.1602 0.2006 0.0082  0.0015  -0.0410 93  GLU B N   
2922 C CA  . GLU B 76  ? 0.1208 0.1489 0.2013 0.0089  0.0017  -0.0336 93  GLU B CA  
2923 C C   . GLU B 76  ? 0.1176 0.1483 0.1870 0.0070  0.0029  -0.0262 93  GLU B C   
2924 O O   . GLU B 76  ? 0.1214 0.1584 0.1852 0.0071  0.0035  -0.0267 93  GLU B O   
2925 C CB  . GLU B 76  ? 0.1321 0.1596 0.2223 0.0134  0.0011  -0.0359 93  GLU B CB  
2926 C CG  . GLU B 76  ? 0.1371 0.1534 0.2363 0.0146  -0.0009 -0.0296 93  GLU B CG  
2927 C CD  . GLU B 76  ? 0.1306 0.1433 0.2215 0.0125  -0.0013 -0.0182 93  GLU B CD  
2928 O OE1 . GLU B 76  ? 0.1343 0.1540 0.2148 0.0112  -0.0008 -0.0161 93  GLU B OE1 
2929 O OE2 . GLU B 76  ? 0.1520 0.1533 0.2451 0.0120  -0.0020 -0.0113 93  GLU B OE2 
2936 N N   . VAL B 77  ? 0.1106 0.1365 0.1771 0.0046  0.0040  -0.0206 94  VAL B N   
2937 C CA  . VAL B 77  ? 0.1157 0.1418 0.1703 0.0028  0.0055  -0.0159 94  VAL B CA  
2938 C C   . VAL B 77  ? 0.1130 0.1336 0.1619 0.0022  0.0059  -0.0086 94  VAL B C   
2939 O O   . VAL B 77  ? 0.1303 0.1481 0.1686 0.0004  0.0080  -0.0054 94  VAL B O   
2940 C CB  . VAL B 77  ? 0.1175 0.1434 0.1718 0.0016  0.0072  -0.0166 94  VAL B CB  
2941 C CG1 . VAL B 77  ? 0.1261 0.1568 0.1805 0.0024  0.0041  -0.0228 94  VAL B CG1 
2942 C CG2 . VAL B 77  ? 0.1232 0.1455 0.1882 0.0002  0.0098  -0.0145 94  VAL B CG2 
2952 N N   . THR B 78  ? 0.1170 0.1347 0.1711 0.0041  0.0032  -0.0062 95  THR B N   
2953 C CA  . THR B 78  ? 0.1253 0.1360 0.1706 0.0037  0.0016  0.0018  95  THR B CA  
2954 C C   . THR B 78  ? 0.1192 0.1347 0.1548 0.0031  -0.0020 0.0024  95  THR B C   
2955 O O   . THR B 78  ? 0.1386 0.1486 0.1595 0.0008  -0.0020 0.0067  95  THR B O   
2956 C CB  . THR B 78  ? 0.1296 0.1339 0.1839 0.0068  -0.0021 0.0051  95  THR B CB  
2957 O OG1 . THR B 78  ? 0.1396 0.1377 0.2030 0.0056  0.0016  0.0042  95  THR B OG1 
2958 C CG2 . THR B 78  ? 0.1483 0.1431 0.1902 0.0066  -0.0053 0.0148  95  THR B CG2 
2966 N N   . GLN B 79  ? 0.1148 0.1405 0.1587 0.0045  -0.0046 -0.0024 96  GLN B N   
2967 C CA  . GLN B 79  ? 0.1136 0.1459 0.1531 0.0024  -0.0080 -0.0025 96  GLN B CA  
2968 C C   . GLN B 79  ? 0.1176 0.1508 0.1477 -0.0017 -0.0038 -0.0053 96  GLN B C   
2969 O O   . GLN B 79  ? 0.1178 0.1551 0.1519 -0.0017 -0.0003 -0.0098 96  GLN B O   
2970 C CB  . GLN B 79  ? 0.1264 0.1711 0.1827 0.0052  -0.0105 -0.0066 96  GLN B CB  
2971 C CG  . GLN B 79  ? 0.1361 0.1902 0.1940 0.0025  -0.0150 -0.0066 96  GLN B CG  
2972 C CD  . GLN B 79  ? 0.1450 0.1939 0.1973 0.0033  -0.0241 -0.0002 96  GLN B CD  
2973 O OE1 . GLN B 79  ? 0.1851 0.2279 0.2407 0.0082  -0.0283 0.0040  96  GLN B OE1 
2974 N NE2 . GLN B 79  ? 0.1919 0.2419 0.2347 -0.0018 -0.0281 0.0005  96  GLN B NE2 
2983 N N   . PRO B 80  ? 0.1167 0.1443 0.1326 -0.0051 -0.0046 -0.0031 97  PRO B N   
2984 C CA  . PRO B 80  ? 0.1233 0.1485 0.1309 -0.0083 -0.0010 -0.0056 97  PRO B CA  
2985 C C   . PRO B 80  ? 0.1094 0.1438 0.1232 -0.0109 -0.0009 -0.0087 97  PRO B C   
2986 O O   . PRO B 80  ? 0.1263 0.1691 0.1474 -0.0127 -0.0041 -0.0092 97  PRO B O   
2987 C CB  . PRO B 80  ? 0.1473 0.1635 0.1392 -0.0112 -0.0026 -0.0037 97  PRO B CB  
2988 C CG  . PRO B 80  ? 0.1517 0.1628 0.1393 -0.0089 -0.0042 0.0007  97  PRO B CG  
2989 C CD  . PRO B 80  ? 0.1344 0.1541 0.1382 -0.0059 -0.0085 0.0016  97  PRO B CD  
2997 N N   . SER B 81  ? 0.1131 0.1460 0.1237 -0.0115 0.0030  -0.0106 98  SER B N   
2998 C CA  . SER B 81  ? 0.1104 0.1505 0.1233 -0.0146 0.0053  -0.0128 98  SER B CA  
2999 C C   . SER B 81  ? 0.1168 0.1484 0.1175 -0.0162 0.0075  -0.0121 98  SER B C   
3000 O O   . SER B 81  ? 0.1159 0.1429 0.1143 -0.0123 0.0075  -0.0124 98  SER B O   
3001 C CB  . SER B 81  ? 0.1107 0.1602 0.1350 -0.0109 0.0072  -0.0166 98  SER B CB  
3002 O OG  . SER B 81  ? 0.1166 0.1704 0.1375 -0.0134 0.0117  -0.0192 98  SER B OG  
3008 N N   . LEU B 82  ? 0.1141 0.1434 0.1084 -0.0222 0.0087  -0.0108 99  LEU B N   
3009 C CA  . LEU B 82  ? 0.1275 0.1463 0.1090 -0.0236 0.0101  -0.0087 99  LEU B CA  
3010 C C   . LEU B 82  ? 0.1210 0.1438 0.1002 -0.0215 0.0121  -0.0100 99  LEU B C   
3011 O O   . LEU B 82  ? 0.1361 0.1507 0.1067 -0.0183 0.0100  -0.0087 99  LEU B O   
3012 C CB  . LEU B 82  ? 0.1369 0.1513 0.1123 -0.0319 0.0118  -0.0065 99  LEU B CB  
3013 C CG  . LEU B 82  ? 0.1344 0.1415 0.1082 -0.0354 0.0087  -0.0063 99  LEU B CG  
3014 C CD1 . LEU B 82  ? 0.1662 0.1745 0.1410 -0.0457 0.0103  -0.0054 99  LEU B CD1 
3015 C CD2 . LEU B 82  ? 0.1658 0.1550 0.1280 -0.0319 0.0069  -0.0053 99  LEU B CD2 
3027 N N   . GLY B 83  ? 0.1227 0.1581 0.1093 -0.0229 0.0159  -0.0131 100 GLY B N   
3028 C CA  . GLY B 83  ? 0.1259 0.1640 0.1061 -0.0218 0.0189  -0.0156 100 GLY B CA  
3029 C C   . GLY B 83  ? 0.1219 0.1589 0.1046 -0.0148 0.0146  -0.0190 100 GLY B C   
3030 O O   . GLY B 83  ? 0.1359 0.1678 0.1072 -0.0132 0.0126  -0.0195 100 GLY B O   
3034 N N   . VAL B 84  ? 0.1187 0.1598 0.1161 -0.0110 0.0125  -0.0210 101 VAL B N   
3035 C CA  . VAL B 84  ? 0.1117 0.1512 0.1144 -0.0059 0.0089  -0.0239 101 VAL B CA  
3036 C C   . VAL B 84  ? 0.1140 0.1445 0.1104 -0.0045 0.0047  -0.0207 101 VAL B C   
3037 O O   . VAL B 84  ? 0.1258 0.1550 0.1205 -0.0019 0.0009  -0.0229 101 VAL B O   
3038 C CB  . VAL B 84  ? 0.1081 0.1508 0.1264 -0.0033 0.0082  -0.0246 101 VAL B CB  
3039 C CG1 . VAL B 84  ? 0.1195 0.1590 0.1448 0.0000  0.0052  -0.0266 101 VAL B CG1 
3040 C CG2 . VAL B 84  ? 0.1197 0.1716 0.1480 -0.0025 0.0109  -0.0288 101 VAL B CG2 
3050 N N   . GLY B 85  ? 0.1166 0.1411 0.1104 -0.0057 0.0049  -0.0162 102 GLY B N   
3051 C CA  . GLY B 85  ? 0.1242 0.1408 0.1148 -0.0029 0.0019  -0.0140 102 GLY B CA  
3052 C C   . GLY B 85  ? 0.1273 0.1380 0.1048 -0.0028 -0.0015 -0.0123 102 GLY B C   
3053 O O   . GLY B 85  ? 0.1363 0.1450 0.1153 0.0015  -0.0068 -0.0127 102 GLY B O   
3057 N N   . TYR B 86  ? 0.1412 0.1493 0.1061 -0.0077 0.0013  -0.0100 103 TYR B N   
3058 C CA  . TYR B 86  ? 0.1535 0.1531 0.1008 -0.0087 -0.0011 -0.0066 103 TYR B CA  
3059 C C   . TYR B 86  ? 0.1635 0.1679 0.1068 -0.0060 -0.0048 -0.0107 103 TYR B C   
3060 O O   . TYR B 86  ? 0.1720 0.1697 0.1060 -0.0027 -0.0122 -0.0088 103 TYR B O   
3061 C CB  . TYR B 86  ? 0.1662 0.1638 0.1025 -0.0165 0.0054  -0.0034 103 TYR B CB  
3062 C CG  . TYR B 86  ? 0.1839 0.1706 0.0981 -0.0191 0.0046  0.0018  103 TYR B CG  
3063 C CD1 . TYR B 86  ? 0.2132 0.1826 0.1163 -0.0192 0.0007  0.0089  103 TYR B CD1 
3064 C CD2 . TYR B 86  ? 0.2021 0.1937 0.1043 -0.0211 0.0077  -0.0003 103 TYR B CD2 
3065 C CE1 . TYR B 86  ? 0.2443 0.2005 0.1242 -0.0217 -0.0008 0.0157  103 TYR B CE1 
3066 C CE2 . TYR B 86  ? 0.2294 0.2090 0.1062 -0.0241 0.0072  0.0056  103 TYR B CE2 
3067 C CZ  . TYR B 86  ? 0.2408 0.2021 0.1060 -0.0246 0.0025  0.0146  103 TYR B CZ  
3068 O OH  . TYR B 86  ? 0.2927 0.2391 0.1301 -0.0275 0.0011  0.0224  103 TYR B OH  
3078 N N   . GLU B 87  ? 0.1530 0.1684 0.1031 -0.0069 -0.0007 -0.0169 104 GLU B N   
3079 C CA  . GLU B 87  ? 0.1625 0.1815 0.1091 -0.0046 -0.0042 -0.0231 104 GLU B CA  
3080 C C   . GLU B 87  ? 0.1561 0.1748 0.1137 0.0007  -0.0135 -0.0250 104 GLU B C   
3081 O O   . GLU B 87  ? 0.1713 0.1874 0.1198 0.0027  -0.0214 -0.0268 104 GLU B O   
3082 C CB  . GLU B 87  ? 0.1578 0.1873 0.1152 -0.0051 0.0021  -0.0305 104 GLU B CB  
3083 C CG  . GLU B 87  ? 0.1847 0.2184 0.1330 -0.0099 0.0116  -0.0310 104 GLU B CG  
3084 C CD  . GLU B 87  ? 0.1862 0.2316 0.1514 -0.0088 0.0179  -0.0383 104 GLU B CD  
3085 O OE1 . GLU B 87  ? 0.1795 0.2279 0.1638 -0.0061 0.0159  -0.0386 104 GLU B OE1 
3086 O OE2 . GLU B 87  ? 0.2197 0.2707 0.1784 -0.0104 0.0254  -0.0434 104 GLU B OE2 
3093 N N   . LEU B 88  ? 0.1426 0.1644 0.1199 0.0025  -0.0127 -0.0246 105 LEU B N   
3094 C CA  . LEU B 88  ? 0.1474 0.1713 0.1394 0.0064  -0.0194 -0.0264 105 LEU B CA  
3095 C C   . LEU B 88  ? 0.1489 0.1662 0.1350 0.0099  -0.0266 -0.0217 105 LEU B C   
3096 O O   . LEU B 88  ? 0.1629 0.1827 0.1545 0.0132  -0.0358 -0.0241 105 LEU B O   
3097 C CB  . LEU B 88  ? 0.1296 0.1572 0.1406 0.0066  -0.0143 -0.0259 105 LEU B CB  
3098 C CG  . LEU B 88  ? 0.1273 0.1600 0.1482 0.0049  -0.0104 -0.0303 105 LEU B CG  
3099 C CD1 . LEU B 88  ? 0.1392 0.1720 0.1715 0.0044  -0.0050 -0.0270 105 LEU B CD1 
3100 C CD2 . LEU B 88  ? 0.1413 0.1775 0.1719 0.0057  -0.0160 -0.0370 105 LEU B CD2 
3112 N N   . GLY B 89  ? 0.1469 0.1553 0.1229 0.0094  -0.0238 -0.0153 106 GLY B N   
3113 C CA  . GLY B 89  ? 0.1654 0.1647 0.1356 0.0138  -0.0313 -0.0106 106 GLY B CA  
3114 C C   . GLY B 89  ? 0.1779 0.1719 0.1283 0.0143  -0.0401 -0.0090 106 GLY B C   
3115 O O   . GLY B 89  ? 0.1928 0.1854 0.1457 0.0198  -0.0514 -0.0083 106 GLY B O   
3119 N N   . ARG B 90  ? 0.1901 0.1811 0.1198 0.0086  -0.0352 -0.0084 107 ARG B N   
3120 C CA  . ARG B 90  ? 0.2202 0.2053 0.1256 0.0083  -0.0422 -0.0073 107 ARG B CA  
3121 C C   . ARG B 90  ? 0.2069 0.2015 0.1204 0.0113  -0.0512 -0.0158 107 ARG B C   
3122 O O   . ARG B 90  ? 0.2369 0.2270 0.1379 0.0144  -0.0638 -0.0150 107 ARG B O   
3123 C CB  . ARG B 90  ? 0.2223 0.2049 0.1056 0.0009  -0.0318 -0.0065 107 ARG B CB  
3124 C CG  . ARG B 90  ? 0.2320 0.2046 0.1066 -0.0041 -0.0238 0.0021  107 ARG B CG  
3125 C CD  . ARG B 90  ? 0.2643 0.2184 0.1231 -0.0018 -0.0319 0.0123  107 ARG B CD  
3126 N NE  . ARG B 90  ? 0.2926 0.2369 0.1232 -0.0011 -0.0402 0.0162  107 ARG B NE  
3127 C CZ  . ARG B 90  ? 0.3176 0.2497 0.1180 -0.0077 -0.0351 0.0233  107 ARG B CZ  
3128 N NH1 . ARG B 90  ? 0.3348 0.2655 0.1326 -0.0164 -0.0211 0.0264  107 ARG B NH1 
3129 N NH2 . ARG B 90  ? 0.3816 0.3025 0.1533 -0.0061 -0.0447 0.0279  107 ARG B NH2 
3143 N N   . ALA B 91  ? 0.1880 0.1945 0.1214 0.0101  -0.0460 -0.0240 108 ALA B N   
3144 C CA  . ALA B 91  ? 0.1919 0.2061 0.1347 0.0115  -0.0540 -0.0331 108 ALA B CA  
3145 C C   . ALA B 91  ? 0.2024 0.2202 0.1638 0.0168  -0.0667 -0.0327 108 ALA B C   
3146 O O   . ALA B 91  ? 0.2147 0.2344 0.1735 0.0184  -0.0796 -0.0373 108 ALA B O   
3147 C CB  . ALA B 91  ? 0.1905 0.2136 0.1535 0.0091  -0.0453 -0.0403 108 ALA B CB  
3153 N N   . VAL B 92  ? 0.1899 0.2099 0.1716 0.0195  -0.0633 -0.0284 109 VAL B N   
3154 C CA  . VAL B 92  ? 0.1931 0.2185 0.1961 0.0253  -0.0737 -0.0282 109 VAL B CA  
3155 C C   . VAL B 92  ? 0.2134 0.2299 0.1973 0.0299  -0.0882 -0.0233 109 VAL B C   
3156 O O   . VAL B 92  ? 0.2368 0.2592 0.2293 0.0335  -0.1030 -0.0267 109 VAL B O   
3157 C CB  . VAL B 92  ? 0.2008 0.2277 0.2236 0.0279  -0.0651 -0.0244 109 VAL B CB  
3158 C CG1 . VAL B 92  ? 0.2282 0.2602 0.2721 0.0355  -0.0752 -0.0236 109 VAL B CG1 
3159 C CG2 . VAL B 92  ? 0.1814 0.2172 0.2239 0.0238  -0.0536 -0.0286 109 VAL B CG2 
3169 N N   . ALA B 93  ? 0.2305 0.2320 0.1884 0.0296  -0.0851 -0.0148 110 ALA B N   
3170 C CA  . ALA B 93  ? 0.2647 0.2536 0.2015 0.0343  -0.0989 -0.0076 110 ALA B CA  
3171 C C   . ALA B 93  ? 0.2776 0.2636 0.1871 0.0318  -0.1087 -0.0103 110 ALA B C   
3172 O O   . ALA B 93  ? 0.3264 0.3057 0.2232 0.0367  -0.1253 -0.0064 110 ALA B O   
3173 C CB  . ALA B 93  ? 0.2783 0.2492 0.1948 0.0332  -0.0915 0.0030  110 ALA B CB  
3179 N N   . PHE B 94  ? 0.3734 0.2399 0.1527 0.0181  -0.1039 -0.0140 111 PHE B N   
3180 C CA  . PHE B 94  ? 0.3712 0.2556 0.1480 0.0106  -0.1041 -0.0184 111 PHE B CA  
3181 C C   . PHE B 94  ? 0.3463 0.2668 0.1592 0.0191  -0.1096 -0.0299 111 PHE B C   
3182 O O   . PHE B 94  ? 0.3628 0.2911 0.1688 0.0124  -0.1120 -0.0365 111 PHE B O   
3183 C CB  . PHE B 94  ? 0.3696 0.2666 0.1495 -0.0088 -0.0864 -0.0173 111 PHE B CB  
3184 C CG  . PHE B 94  ? 0.4049 0.2790 0.1480 -0.0256 -0.0832 -0.0011 111 PHE B CG  
3185 C CD1 . PHE B 94  ? 0.4862 0.3307 0.1949 -0.0255 -0.0923 0.0086  111 PHE B CD1 
3186 C CD2 . PHE B 94  ? 0.3863 0.2784 0.1430 -0.0426 -0.0680 0.0070  111 PHE B CD2 
3187 C CE1 . PHE B 94  ? 0.4873 0.3155 0.1710 -0.0458 -0.0883 0.0258  111 PHE B CE1 
3188 C CE2 . PHE B 94  ? 0.4532 0.3349 0.1815 -0.0642 -0.0662 0.0266  111 PHE B CE2 
3189 C CZ  . PHE B 94  ? 0.4891 0.3374 0.1820 -0.0671 -0.0764 0.0359  111 PHE B CZ  
3199 N N   . ASN B 95  ? 0.3236 0.2654 0.1709 0.0321  -0.1121 -0.0311 112 ASN B N   
3200 C CA  . ASN B 95  ? 0.3052 0.2880 0.1909 0.0349  -0.1209 -0.0364 112 ASN B CA  
3201 C C   . ASN B 95  ? 0.2825 0.2783 0.1883 0.0163  -0.1133 -0.0463 112 ASN B C   
3202 O O   . ASN B 95  ? 0.2981 0.3048 0.2082 0.0084  -0.1255 -0.0522 112 ASN B O   
3203 C CB  . ASN B 95  ? 0.3526 0.3412 0.2239 0.0429  -0.1424 -0.0339 112 ASN B CB  
3204 C CG  . ASN B 95  ? 0.4130 0.4003 0.2782 0.0697  -0.1502 -0.0233 112 ASN B CG  
3205 O OD1 . ASN B 95  ? 0.5167 0.4683 0.3431 0.0759  -0.1529 -0.0175 112 ASN B OD1 
3206 N ND2 . ASN B 95  ? 0.4241 0.4489 0.3285 0.0863  -0.1480 -0.0195 112 ASN B ND2 
3213 N N   . LYS B 96  ? 0.2727 0.2635 0.1876 0.0101  -0.0954 -0.0476 113 LYS B N   
3214 C CA  . LYS B 96  ? 0.2564 0.2517 0.1842 -0.0017 -0.0868 -0.0563 113 LYS B CA  
3215 C C   . LYS B 96  ? 0.2295 0.2498 0.2009 -0.0042 -0.0851 -0.0565 113 LYS B C   
3216 O O   . LYS B 96  ? 0.2599 0.2944 0.2513 0.0043  -0.0809 -0.0492 113 LYS B O   
3217 C CB  . LYS B 96  ? 0.2820 0.2643 0.1954 -0.0058 -0.0682 -0.0548 113 LYS B CB  
3218 C CG  . LYS B 96  ? 0.3042 0.2693 0.1752 -0.0072 -0.0668 -0.0508 113 LYS B CG  
3219 C CD  . LYS B 96  ? 0.3433 0.2990 0.1873 -0.0065 -0.0748 -0.0608 113 LYS B CD  
3220 C CE  . LYS B 96  ? 0.4007 0.3411 0.1986 -0.0067 -0.0729 -0.0544 113 LYS B CE  
3221 N NZ  . LYS B 96  ? 0.4246 0.3499 0.1873 -0.0040 -0.0826 -0.0649 113 LYS B NZ  
3235 N N   . ARG B 97  ? 0.2400 0.2596 0.2190 -0.0156 -0.0883 -0.0644 114 ARG B N   
3236 C CA  . ARG B 97  ? 0.2171 0.2523 0.2311 -0.0233 -0.0849 -0.0632 114 ARG B CA  
3237 C C   . ARG B 97  ? 0.2190 0.2438 0.2354 -0.0203 -0.0648 -0.0632 114 ARG B C   
3238 O O   . ARG B 97  ? 0.2354 0.2406 0.2275 -0.0179 -0.0555 -0.0678 114 ARG B O   
3239 C CB  . ARG B 97  ? 0.2634 0.2839 0.2703 -0.0394 -0.0993 -0.0716 114 ARG B CB  
3240 C CG  . ARG B 97  ? 0.2901 0.3222 0.3287 -0.0534 -0.1012 -0.0678 114 ARG B CG  
3241 C CD  . ARG B 97  ? 0.3964 0.4228 0.4285 -0.0736 -0.1196 -0.0674 114 ARG B CD  
3242 N NE  . ARG B 97  ? 0.4358 0.4155 0.4176 -0.0736 -0.1248 -0.0806 114 ARG B NE  
3243 C CZ  . ARG B 97  ? 0.7002 0.6348 0.6534 -0.0769 -0.1224 -0.0901 114 ARG B CZ  
3244 N NH1 . ARG B 97  ? 0.5958 0.5222 0.5638 -0.0826 -0.1160 -0.0878 114 ARG B NH1 
3245 N NH2 . ARG B 97  ? 0.6135 0.5081 0.5186 -0.0717 -0.1264 -0.1012 114 ARG B NH2 
3259 N N   . ILE B 98  ? 0.1729 0.2160 0.2185 -0.0190 -0.0577 -0.0559 115 ILE B N   
3260 C CA  . ILE B 98  ? 0.1642 0.2010 0.2120 -0.0157 -0.0419 -0.0530 115 ILE B CA  
3261 C C   . ILE B 98  ? 0.1344 0.1801 0.2089 -0.0219 -0.0375 -0.0506 115 ILE B C   
3262 O O   . ILE B 98  ? 0.1352 0.2049 0.2339 -0.0250 -0.0421 -0.0444 115 ILE B O   
3263 C CB  . ILE B 98  ? 0.1612 0.1986 0.2018 -0.0055 -0.0389 -0.0452 115 ILE B CB  
3264 C CG1 . ILE B 98  ? 0.1954 0.2138 0.2022 -0.0034 -0.0431 -0.0449 115 ILE B CG1 
3265 C CG2 . ILE B 98  ? 0.1608 0.1934 0.2057 -0.0056 -0.0278 -0.0404 115 ILE B CG2 
3266 C CD1 . ILE B 98  ? 0.2125 0.2181 0.2006 0.0079  -0.0482 -0.0383 115 ILE B CD1 
3278 N N   . LEU B 99  ? 0.1491 0.1802 0.2197 -0.0225 -0.0279 -0.0527 116 LEU B N   
3279 C CA  . LEU B 99  ? 0.1427 0.1741 0.2316 -0.0271 -0.0230 -0.0491 116 LEU B CA  
3280 C C   . LEU B 99  ? 0.1356 0.1671 0.2237 -0.0203 -0.0111 -0.0436 116 LEU B C   
3281 O O   . LEU B 99  ? 0.1457 0.1708 0.2209 -0.0157 -0.0058 -0.0453 116 LEU B O   
3282 C CB  . LEU B 99  ? 0.1682 0.1723 0.2457 -0.0325 -0.0272 -0.0570 116 LEU B CB  
3283 C CG  . LEU B 99  ? 0.1761 0.1686 0.2628 -0.0351 -0.0221 -0.0529 116 LEU B CG  
3284 C CD1 . LEU B 99  ? 0.1830 0.1967 0.2971 -0.0486 -0.0254 -0.0418 116 LEU B CD1 
3285 C CD2 . LEU B 99  ? 0.2318 0.1807 0.2917 -0.0351 -0.0280 -0.0627 116 LEU B CD2 
3297 N N   . CYS B 100 ? 0.1181 0.1600 0.2184 -0.0195 -0.0073 -0.0357 117 CYS B N   
3298 C CA  . CYS B 100 ? 0.1146 0.1532 0.2114 -0.0168 -0.0005 -0.0295 117 CYS B CA  
3299 C C   . CYS B 100 ? 0.1123 0.1500 0.2232 -0.0194 0.0038  -0.0252 117 CYS B C   
3300 O O   . CYS B 100 ? 0.1237 0.1685 0.2480 -0.0243 0.0030  -0.0224 117 CYS B O   
3301 C CB  . CYS B 100 ? 0.1287 0.1660 0.2133 -0.0116 -0.0014 -0.0247 117 CYS B CB  
3302 S SG  . CYS B 100 ? 0.1461 0.1706 0.2034 -0.0090 -0.0087 -0.0265 117 CYS B SG  
3308 N N   . LEU B 101 ? 0.1084 0.1415 0.2171 -0.0171 0.0076  -0.0217 118 LEU B N   
3309 C CA  . LEU B 101 ? 0.1094 0.1358 0.2258 -0.0169 0.0106  -0.0168 118 LEU B CA  
3310 C C   . LEU B 101 ? 0.1013 0.1321 0.2144 -0.0160 0.0120  -0.0073 118 LEU B C   
3311 O O   . LEU B 101 ? 0.1097 0.1480 0.2176 -0.0157 0.0102  -0.0039 118 LEU B O   
3312 C CB  . LEU B 101 ? 0.1330 0.1487 0.2452 -0.0091 0.0121  -0.0212 118 LEU B CB  
3313 C CG  . LEU B 101 ? 0.1680 0.1661 0.2696 -0.0095 0.0078  -0.0327 118 LEU B CG  
3314 C CD1 . LEU B 101 ? 0.2247 0.2063 0.3105 0.0069  0.0119  -0.0380 118 LEU B CD1 
3315 C CD2 . LEU B 101 ? 0.2138 0.1969 0.3197 -0.0233 0.0003  -0.0330 118 LEU B CD2 
3327 N N   . PHE B 102 ? 0.1105 0.1381 0.2246 -0.0178 0.0141  -0.0012 119 PHE B N   
3328 C CA  . PHE B 102 ? 0.1163 0.1403 0.2175 -0.0172 0.0130  0.0068  119 PHE B CA  
3329 C C   . PHE B 102 ? 0.1248 0.1428 0.2305 -0.0173 0.0156  0.0148  119 PHE B C   
3330 O O   . PHE B 102 ? 0.1367 0.1527 0.2506 -0.0204 0.0198  0.0165  119 PHE B O   
3331 C CB  . PHE B 102 ? 0.1260 0.1460 0.2097 -0.0137 0.0146  0.0066  119 PHE B CB  
3332 C CG  . PHE B 102 ? 0.1330 0.1364 0.1900 -0.0120 0.0119  0.0129  119 PHE B CG  
3333 C CD1 . PHE B 102 ? 0.1476 0.1372 0.1841 -0.0182 0.0003  0.0147  119 PHE B CD1 
3334 C CD2 . PHE B 102 ? 0.1477 0.1487 0.1971 -0.0070 0.0192  0.0189  119 PHE B CD2 
3335 C CE1 . PHE B 102 ? 0.1800 0.1467 0.1847 -0.0204 -0.0073 0.0205  119 PHE B CE1 
3336 C CE2 . PHE B 102 ? 0.1846 0.1634 0.2004 -0.0047 0.0151  0.0237  119 PHE B CE2 
3337 C CZ  . PHE B 102 ? 0.1937 0.1521 0.1854 -0.0119 0.0001  0.0235  119 PHE B CZ  
3347 N N   . ARG B 103 ? 0.1473 0.1302 0.1939 0.0029  0.0150  0.0062  120 ARG B N   
3348 C CA  . ARG B 103 ? 0.1540 0.1290 0.2006 0.0035  0.0176  0.0127  120 ARG B CA  
3349 C C   . ARG B 103 ? 0.1482 0.1375 0.2017 -0.0024 0.0203  0.0193  120 ARG B C   
3350 O O   . ARG B 103 ? 0.1501 0.1533 0.2027 0.0005  0.0198  0.0228  120 ARG B O   
3351 C CB  . ARG B 103 ? 0.1709 0.1443 0.2093 0.0178  0.0212  0.0173  120 ARG B CB  
3352 C CG  . ARG B 103 ? 0.1992 0.1534 0.2210 0.0303  0.0213  0.0111  120 ARG B CG  
3353 C CD  . ARG B 103 ? 0.2349 0.1841 0.2477 0.0485  0.0276  0.0175  120 ARG B CD  
3354 N NE  . ARG B 103 ? 0.2064 0.1882 0.2366 0.0518  0.0322  0.0302  120 ARG B NE  
3355 C CZ  . ARG B 103 ? 0.1794 0.1898 0.2226 0.0545  0.0356  0.0365  120 ARG B CZ  
3356 N NH1 . ARG B 103 ? 0.1818 0.1933 0.2192 0.0561  0.0380  0.0317  120 ARG B NH1 
3357 N NH2 . ARG B 103 ? 0.1859 0.2239 0.2491 0.0550  0.0351  0.0495  120 ARG B NH2 
3371 N N   . PRO B 104 ? 0.1686 0.1530 0.2275 -0.0096 0.0227  0.0227  121 PRO B N   
3372 C CA  . PRO B 104 ? 0.1771 0.1701 0.2324 -0.0096 0.0278  0.0298  121 PRO B CA  
3373 C C   . PRO B 104 ? 0.1767 0.1662 0.2200 -0.0022 0.0277  0.0365  121 PRO B C   
3374 O O   . PRO B 104 ? 0.1785 0.1726 0.2105 0.0003  0.0272  0.0397  121 PRO B O   
3375 C CB  . PRO B 104 ? 0.2094 0.1996 0.2761 -0.0164 0.0342  0.0366  121 PRO B CB  
3376 C CG  . PRO B 104 ? 0.2837 0.2691 0.3659 -0.0242 0.0277  0.0306  121 PRO B CG  
3377 C CD  . PRO B 104 ? 0.1842 0.1569 0.2542 -0.0182 0.0202  0.0217  121 PRO B CD  
3385 N N   . GLN B 105 ? 0.1704 0.1492 0.2125 0.0031  0.0267  0.0386  122 GLN B N   
3386 C CA  . GLN B 105 ? 0.1905 0.1693 0.2242 0.0120  0.0253  0.0464  122 GLN B CA  
3387 C C   . GLN B 105 ? 0.1650 0.1639 0.2008 0.0146  0.0179  0.0465  122 GLN B C   
3388 O O   . GLN B 105 ? 0.1804 0.1834 0.2108 0.0194  0.0125  0.0536  122 GLN B O   
3389 C CB  . GLN B 105 ? 0.2008 0.1631 0.2325 0.0204  0.0265  0.0486  122 GLN B CB  
3390 C CG  . GLN B 105 ? 0.2262 0.1889 0.2515 0.0313  0.0254  0.0586  122 GLN B CG  
3391 C CD  . GLN B 105 ? 0.2153 0.2014 0.2496 0.0402  0.0208  0.0613  122 GLN B CD  
3392 O OE1 . GLN B 105 ? 0.2247 0.2207 0.2676 0.0424  0.0222  0.0567  122 GLN B OE1 
3393 N NE2 . GLN B 105 ? 0.2249 0.2212 0.2586 0.0458  0.0148  0.0710  122 GLN B NE2 
3402 N N   . SER B 106 ? 0.1517 0.1623 0.1963 0.0105  0.0157  0.0402  123 SER B N   
3403 C CA  . SER B 106 ? 0.1442 0.1726 0.1958 0.0089  0.0068  0.0425  123 SER B CA  
3404 C C   . SER B 106 ? 0.1487 0.1725 0.1860 0.0044  -0.0014 0.0418  123 SER B C   
3405 O O   . SER B 106 ? 0.1674 0.1994 0.2076 0.0018  -0.0145 0.0446  123 SER B O   
3406 C CB  . SER B 106 ? 0.1451 0.1823 0.2064 0.0048  0.0076  0.0372  123 SER B CB  
3407 O OG  . SER B 106 ? 0.1419 0.1708 0.1958 -0.0019 0.0087  0.0290  123 SER B OG  
3413 N N   . GLY B 107 ? 0.1627 0.1728 0.1844 0.0040  0.0052  0.0387  124 GLY B N   
3414 C CA  . GLY B 107 ? 0.1731 0.1734 0.1719 0.0050  0.0007  0.0368  124 GLY B CA  
3415 C C   . GLY B 107 ? 0.1811 0.1810 0.1779 0.0005  -0.0032 0.0285  124 GLY B C   
3416 O O   . GLY B 107 ? 0.1986 0.1841 0.1698 0.0045  -0.0066 0.0251  124 GLY B O   
3420 N N   . ARG B 108 ? 0.1550 0.1663 0.1729 -0.0050 -0.0026 0.0254  125 ARG B N   
3421 C CA  A ARG B 108 ? 0.1562 0.1656 0.1727 -0.0088 -0.0065 0.0189  125 ARG B CA  
3422 C CA  B ARG B 108 ? 0.1575 0.1668 0.1737 -0.0088 -0.0066 0.0189  125 ARG B CA  
3423 C C   . ARG B 108 ? 0.1561 0.1624 0.1693 -0.0061 0.0054  0.0146  125 ARG B C   
3424 O O   . ARG B 108 ? 0.1634 0.1737 0.1858 -0.0054 0.0158  0.0173  125 ARG B O   
3425 C CB  A ARG B 108 ? 0.1619 0.1855 0.2009 -0.0139 -0.0089 0.0201  125 ARG B CB  
3426 C CB  B ARG B 108 ? 0.1628 0.1862 0.2014 -0.0140 -0.0093 0.0201  125 ARG B CB  
3427 C CG  A ARG B 108 ? 0.1688 0.2040 0.2212 -0.0167 -0.0193 0.0288  125 ARG B CG  
3428 C CG  B ARG B 108 ? 0.1695 0.2045 0.2216 -0.0169 -0.0199 0.0288  125 ARG B CG  
3429 C CD  A ARG B 108 ? 0.1699 0.2205 0.2438 -0.0209 -0.0198 0.0338  125 ARG B CD  
3430 C CD  B ARG B 108 ? 0.1711 0.2209 0.2443 -0.0213 -0.0203 0.0334  125 ARG B CD  
3431 N NE  A ARG B 108 ? 0.1666 0.2359 0.2627 -0.0238 -0.0284 0.0470  125 ARG B NE  
3432 N NE  B ARG B 108 ? 0.1721 0.2430 0.2692 -0.0222 -0.0252 0.0470  125 ARG B NE  
3433 C CZ  A ARG B 108 ? 0.1466 0.2346 0.2593 -0.0159 -0.0201 0.0565  125 ARG B CZ  
3434 C CZ  B ARG B 108 ? 0.1615 0.2397 0.2734 -0.0319 -0.0414 0.0555  125 ARG B CZ  
3435 N NH1 A ARG B 108 ? 0.1296 0.2139 0.2349 -0.0054 -0.0048 0.0523  125 ARG B NH1 
3436 N NH1 B ARG B 108 ? 0.2083 0.2663 0.3059 -0.0409 -0.0564 0.0492  125 ARG B NH1 
3437 N NH2 A ARG B 108 ? 0.1780 0.2871 0.3149 -0.0177 -0.0290 0.0710  125 ARG B NH2 
3438 N NH2 B ARG B 108 ? 0.1685 0.2740 0.3111 -0.0319 -0.0437 0.0717  125 ARG B NH2 
3465 N N   . VAL B 109 ? 0.1667 0.1653 0.1689 -0.0048 0.0024  0.0091  126 VAL B N   
3466 C CA  . VAL B 109 ? 0.1645 0.1666 0.1711 -0.0015 0.0125  0.0065  126 VAL B CA  
3467 C C   . VAL B 109 ? 0.1399 0.1494 0.1629 -0.0074 0.0077  0.0029  126 VAL B C   
3468 O O   . VAL B 109 ? 0.1458 0.1483 0.1631 -0.0101 -0.0021 0.0009  126 VAL B O   
3469 C CB  . VAL B 109 ? 0.1985 0.1846 0.1774 0.0090  0.0143  0.0034  126 VAL B CB  
3470 C CG1 . VAL B 109 ? 0.2066 0.2033 0.1973 0.0144  0.0261  0.0038  126 VAL B CG1 
3471 C CG2 . VAL B 109 ? 0.2623 0.2375 0.2163 0.0182  0.0195  0.0078  126 VAL B CG2 
3481 N N   . LEU B 110 ? 0.1265 0.1474 0.1683 -0.0097 0.0130  0.0031  127 LEU B N   
3482 C CA  . LEU B 110 ? 0.1212 0.1465 0.1718 -0.0125 0.0088  0.0003  127 LEU B CA  
3483 C C   . LEU B 110 ? 0.1174 0.1382 0.1616 -0.0097 0.0065  -0.0031 127 LEU B C   
3484 O O   . LEU B 110 ? 0.1240 0.1448 0.1658 -0.0040 0.0117  -0.0039 127 LEU B O   
3485 C CB  . LEU B 110 ? 0.1237 0.1547 0.1878 -0.0138 0.0111  -0.0010 127 LEU B CB  
3486 C CG  . LEU B 110 ? 0.1155 0.1472 0.1812 -0.0133 0.0064  -0.0048 127 LEU B CG  
3487 C CD1 . LEU B 110 ? 0.1180 0.1489 0.1776 -0.0115 0.0057  -0.0021 127 LEU B CD1 
3488 C CD2 . LEU B 110 ? 0.1328 0.1630 0.2068 -0.0150 0.0031  -0.0079 127 LEU B CD2 
3500 N N   . SER B 111 ? 0.1170 0.1348 0.1600 -0.0123 0.0001  -0.0030 128 SER B N   
3501 C CA  . SER B 111 ? 0.1198 0.1300 0.1568 -0.0098 -0.0032 -0.0053 128 SER B CA  
3502 C C   . SER B 111 ? 0.1277 0.1441 0.1696 -0.0031 0.0018  -0.0082 128 SER B C   
3503 O O   . SER B 111 ? 0.1161 0.1446 0.1721 -0.0043 0.0032  -0.0083 128 SER B O   
3504 C CB  . SER B 111 ? 0.1131 0.1270 0.1562 -0.0132 -0.0060 -0.0014 128 SER B CB  
3505 O OG  . SER B 111 ? 0.1279 0.1321 0.1644 -0.0109 -0.0096 -0.0020 128 SER B OG  
3511 N N   . ALA B 112 ? 0.1387 0.1449 0.1686 0.0049  0.0027  -0.0102 129 ALA B N   
3512 C CA  . ALA B 112 ? 0.1362 0.1533 0.1759 0.0135  0.0078  -0.0100 129 ALA B CA  
3513 C C   . ALA B 112 ? 0.1265 0.1493 0.1756 0.0120  0.0016  -0.0104 129 ALA B C   
3514 O O   . ALA B 112 ? 0.1268 0.1657 0.1932 0.0151  0.0019  -0.0092 129 ALA B O   
3515 C CB  . ALA B 112 ? 0.1654 0.1667 0.1846 0.0274  0.0114  -0.0116 129 ALA B CB  
3521 N N   . MET B 113 ? 0.1386 0.1495 0.1776 0.0075  -0.0047 -0.0103 130 MET B N   
3522 C CA  . MET B 113 ? 0.1370 0.1503 0.1779 0.0091  -0.0092 -0.0093 130 MET B CA  
3523 C C   . MET B 113 ? 0.1271 0.1533 0.1782 0.0061  -0.0108 -0.0105 130 MET B C   
3524 O O   . MET B 113 ? 0.1583 0.1887 0.2118 0.0099  -0.0166 -0.0118 130 MET B O   
3525 C CB  . MET B 113 ? 0.1409 0.1397 0.1702 0.0053  -0.0126 -0.0046 130 MET B CB  
3526 C CG  . MET B 113 ? 0.1659 0.1422 0.1815 0.0066  -0.0163 -0.0047 130 MET B CG  
3527 S SD  . MET B 113 ? 0.1933 0.1612 0.2001 0.0226  -0.0154 -0.0091 130 MET B SD  
3528 C CE  . MET B 113 ? 0.2267 0.1989 0.2364 0.0259  -0.0192 -0.0047 130 MET B CE  
3538 N N   . ILE B 114 ? 0.1252 0.1538 0.1790 0.0004  -0.0080 -0.0105 131 ILE B N   
3539 C CA  . ILE B 114 ? 0.1230 0.1544 0.1795 -0.0010 -0.0111 -0.0131 131 ILE B CA  
3540 C C   . ILE B 114 ? 0.1292 0.1703 0.2048 -0.0043 -0.0136 -0.0147 131 ILE B C   
3541 O O   . ILE B 114 ? 0.1330 0.1760 0.2154 -0.0050 -0.0234 -0.0174 131 ILE B O   
3542 C CB  . ILE B 114 ? 0.1310 0.1587 0.1812 -0.0031 -0.0064 -0.0107 131 ILE B CB  
3543 C CG1 . ILE B 114 ? 0.1487 0.1741 0.1902 -0.0013 -0.0031 -0.0038 131 ILE B CG1 
3544 C CG2 . ILE B 114 ? 0.1468 0.1684 0.1915 -0.0011 -0.0102 -0.0152 131 ILE B CG2 
3545 C CD1 . ILE B 114 ? 0.1664 0.1873 0.1958 0.0053  -0.0050 -0.0022 131 ILE B CD1 
3557 N N   . ARG B 115 ? 0.1343 0.1813 0.2192 -0.0063 -0.0059 -0.0114 132 ARG B N   
3558 C CA  . ARG B 115 ? 0.1387 0.1995 0.2474 -0.0095 -0.0047 -0.0076 132 ARG B CA  
3559 C C   . ARG B 115 ? 0.1257 0.2010 0.2512 -0.0052 -0.0089 -0.0054 132 ARG B C   
3560 O O   . ARG B 115 ? 0.1315 0.2198 0.2826 -0.0107 -0.0166 -0.0023 132 ARG B O   
3561 C CB  . ARG B 115 ? 0.1507 0.2139 0.2589 -0.0078 0.0080  -0.0022 132 ARG B CB  
3562 C CG  . ARG B 115 ? 0.1719 0.2510 0.3057 -0.0108 0.0143  0.0068  132 ARG B CG  
3563 C CD  . ARG B 115 ? 0.1834 0.2560 0.3244 -0.0214 0.0102  0.0078  132 ARG B CD  
3564 N NE  . ARG B 115 ? 0.1669 0.2264 0.2884 -0.0206 0.0166  0.0078  132 ARG B NE  
3565 C CZ  . ARG B 115 ? 0.1393 0.1899 0.2636 -0.0270 0.0149  0.0097  132 ARG B CZ  
3566 N NH1 . ARG B 115 ? 0.1883 0.2362 0.3301 -0.0358 0.0051  0.0099  132 ARG B NH1 
3567 N NH2 . ARG B 115 ? 0.1684 0.2099 0.2765 -0.0243 0.0206  0.0114  132 ARG B NH2 
3581 N N   . GLY B 116 ? 0.1210 0.1931 0.2339 0.0045  -0.0059 -0.0060 133 GLY B N   
3582 C CA  . GLY B 116 ? 0.1204 0.2068 0.2482 0.0124  -0.0085 -0.0027 133 GLY B CA  
3583 C C   . GLY B 116 ? 0.1201 0.2053 0.2477 0.0120  -0.0242 -0.0063 133 GLY B C   
3584 O O   . GLY B 116 ? 0.1329 0.2348 0.2805 0.0169  -0.0302 -0.0023 133 GLY B O   
3588 N N   . ALA B 117 ? 0.1197 0.1862 0.2238 0.0087  -0.0305 -0.0124 134 ALA B N   
3589 C CA  . ALA B 117 ? 0.1428 0.2024 0.2365 0.0110  -0.0453 -0.0162 134 ALA B CA  
3590 C C   . ALA B 117 ? 0.1369 0.2008 0.2467 0.0029  -0.0609 -0.0189 134 ALA B C   
3591 O O   . ALA B 117 ? 0.1834 0.2437 0.2891 0.0052  -0.0783 -0.0221 134 ALA B O   
3592 C CB  . ALA B 117 ? 0.1605 0.1986 0.2208 0.0132  -0.0424 -0.0191 134 ALA B CB  
3598 N N   . ALA B 118 ? 0.1526 0.1887 0.2881 0.0152  -0.0071 -0.0242 135 ALA B N   
3599 C CA  . ALA B 118 ? 0.1413 0.1912 0.2761 0.0106  -0.0169 -0.0270 135 ALA B CA  
3600 C C   . ALA B 118 ? 0.1372 0.2105 0.3040 0.0172  -0.0280 -0.0354 135 ALA B C   
3601 O O   . ALA B 118 ? 0.1573 0.2435 0.3538 0.0194  -0.0228 -0.0433 135 ALA B O   
3602 C CB  . ALA B 118 ? 0.1641 0.2216 0.2992 -0.0043 -0.0060 -0.0314 135 ALA B CB  
3608 N N   . ASP B 119 ? 0.1402 0.2227 0.3048 0.0199  -0.0433 -0.0377 136 ASP B N   
3609 C CA  . ASP B 119 ? 0.1300 0.2410 0.3297 0.0252  -0.0556 -0.0506 136 ASP B CA  
3610 C C   . ASP B 119 ? 0.1439 0.2730 0.3562 0.0112  -0.0544 -0.0631 136 ASP B C   
3611 O O   . ASP B 119 ? 0.1509 0.3062 0.3956 0.0124  -0.0625 -0.0781 136 ASP B O   
3612 C CB  . ASP B 119 ? 0.1576 0.2672 0.3486 0.0451  -0.0788 -0.0445 136 ASP B CB  
3613 C CG  . ASP B 119 ? 0.1819 0.2811 0.3319 0.0453  -0.0892 -0.0373 136 ASP B CG  
3614 O OD1 . ASP B 119 ? 0.1671 0.2670 0.3081 0.0303  -0.0811 -0.0428 136 ASP B OD1 
3615 O OD2 . ASP B 119 ? 0.2775 0.3676 0.4040 0.0612  -0.1057 -0.0259 136 ASP B OD2 
3620 N N   . GLY B 120 ? 0.1344 0.2489 0.3256 -0.0021 -0.0433 -0.0584 137 GLY B N   
3621 C CA  . GLY B 120 ? 0.1520 0.2769 0.3584 -0.0164 -0.0386 -0.0685 137 GLY B CA  
3622 C C   . GLY B 120 ? 0.1401 0.2739 0.3440 -0.0148 -0.0540 -0.0777 137 GLY B C   
3623 O O   . GLY B 120 ? 0.1736 0.3079 0.3851 -0.0257 -0.0465 -0.0851 137 GLY B O   
3627 N N   . SER B 121 ? 0.1580 0.2915 0.3402 -0.0002 -0.0718 -0.0741 138 SER B N   
3628 C CA  . SER B 121 ? 0.1741 0.3209 0.3476 0.0018  -0.0881 -0.0848 138 SER B CA  
3629 C C   . SER B 121 ? 0.1736 0.2964 0.2963 0.0071  -0.0912 -0.0706 138 SER B C   
3630 O O   . SER B 121 ? 0.1801 0.2890 0.2878 -0.0039 -0.0808 -0.0711 138 SER B O   
3631 C CB  A SER B 121 ? 0.2043 0.3762 0.3943 0.0149  -0.1058 -0.0941 138 SER B CB  
3632 C CB  B SER B 121 ? 0.2042 0.3762 0.3941 0.0148  -0.1058 -0.0943 138 SER B CB  
3633 O OG  A SER B 121 ? 0.2212 0.3901 0.4035 0.0339  -0.1195 -0.0817 138 SER B OG  
3634 O OG  B SER B 121 ? 0.1879 0.3725 0.3683 0.0134  -0.1152 -0.1063 138 SER B OG  
3643 N N   . ARG B 122 ? 0.2145 0.3299 0.3120 0.0235  -0.1034 -0.0573 139 ARG B N   
3644 C CA  . ARG B 122 ? 0.2349 0.3250 0.2813 0.0261  -0.1023 -0.0430 139 ARG B CA  
3645 C C   . ARG B 122 ? 0.2490 0.3071 0.2816 0.0204  -0.0808 -0.0290 139 ARG B C   
3646 O O   . ARG B 122 ? 0.2904 0.3280 0.2872 0.0170  -0.0735 -0.0219 139 ARG B O   
3647 C CB  . ARG B 122 ? 0.2799 0.3694 0.2991 0.0457  -0.1228 -0.0307 139 ARG B CB  
3648 C CG  . ARG B 122 ? 0.4130 0.5233 0.4066 0.0482  -0.1416 -0.0407 139 ARG B CG  
3649 C CD  . ARG B 122 ? 0.4393 0.5428 0.3910 0.0687  -0.1623 -0.0221 139 ARG B CD  
3650 N NE  . ARG B 122 ? 0.3822 0.4552 0.2722 0.0655  -0.1528 -0.0048 139 ARG B NE  
3651 C CZ  . ARG B 122 ? 0.3961 0.4782 0.2522 0.0556  -0.1529 -0.0154 139 ARG B CZ  
3652 N NH1 . ARG B 122 ? 0.4263 0.5447 0.3079 0.0464  -0.1600 -0.0445 139 ARG B NH1 
3653 N NH2 . ARG B 122 ? 0.4379 0.4920 0.2351 0.0536  -0.1434 0.0018  139 ARG B NH2 
3667 N N   . PHE B 123 ? 0.1876 0.2436 0.2480 0.0183  -0.0696 -0.0276 140 PHE B N   
3668 C CA  . PHE B 123 ? 0.1882 0.2218 0.2412 0.0115  -0.0502 -0.0203 140 PHE B CA  
3669 C C   . PHE B 123 ? 0.1390 0.1849 0.2224 0.0005  -0.0405 -0.0292 140 PHE B C   
3670 O O   . PHE B 123 ? 0.1474 0.2069 0.2580 0.0022  -0.0394 -0.0325 140 PHE B O   
3671 C CB  . PHE B 123 ? 0.1897 0.2075 0.2408 0.0222  -0.0465 -0.0083 140 PHE B CB  
3672 C CG  . PHE B 123 ? 0.1963 0.1921 0.2374 0.0158  -0.0271 -0.0038 140 PHE B CG  
3673 C CD1 . PHE B 123 ? 0.1826 0.1844 0.2381 0.0050  -0.0152 -0.0115 140 PHE B CD1 
3674 C CD2 . PHE B 123 ? 0.2064 0.1759 0.2249 0.0213  -0.0212 0.0079  140 PHE B CD2 
3675 C CE1 . PHE B 123 ? 0.1963 0.1841 0.2461 0.0007  -0.0003 -0.0113 140 PHE B CE1 
3676 C CE2 . PHE B 123 ? 0.2166 0.1695 0.2329 0.0145  -0.0025 0.0072  140 PHE B CE2 
3677 C CZ  . PHE B 123 ? 0.2046 0.1700 0.2382 0.0048  0.0064  -0.0043 140 PHE B CZ  
3687 N N   . GLN B 124 ? 0.1519 0.1926 0.2309 -0.0106 -0.0330 -0.0329 141 GLN B N   
3688 C CA  . GLN B 124 ? 0.1372 0.1833 0.2377 -0.0208 -0.0239 -0.0363 141 GLN B CA  
3689 C C   . GLN B 124 ? 0.1585 0.1889 0.2472 -0.0240 -0.0120 -0.0298 141 GLN B C   
3690 O O   . GLN B 124 ? 0.1670 0.1838 0.2369 -0.0236 -0.0103 -0.0289 141 GLN B O   
3691 C CB  . GLN B 124 ? 0.1524 0.2042 0.2642 -0.0294 -0.0266 -0.0461 141 GLN B CB  
3692 C CG  . GLN B 124 ? 0.1429 0.2180 0.2764 -0.0283 -0.0375 -0.0581 141 GLN B CG  
3693 C CD  . GLN B 124 ? 0.1738 0.2563 0.3238 -0.0380 -0.0389 -0.0724 141 GLN B CD  
3694 O OE1 . GLN B 124 ? 0.1720 0.2399 0.3272 -0.0465 -0.0272 -0.0694 141 GLN B OE1 
3695 N NE2 . GLN B 124 ? 0.1613 0.2636 0.3153 -0.0347 -0.0530 -0.0864 141 GLN B NE2 
3704 N N   . VAL B 125 ? 0.1269 0.1622 0.2266 -0.0276 -0.0037 -0.0273 142 VAL B N   
3705 C CA  . VAL B 125 ? 0.1343 0.1613 0.2242 -0.0301 0.0046  -0.0228 142 VAL B CA  
3706 C C   . VAL B 125 ? 0.1433 0.1716 0.2411 -0.0381 0.0086  -0.0190 142 VAL B C   
3707 O O   . VAL B 125 ? 0.1618 0.2012 0.2718 -0.0430 0.0139  -0.0185 142 VAL B O   
3708 C CB  . VAL B 125 ? 0.1433 0.1757 0.2330 -0.0265 0.0115  -0.0230 142 VAL B CB  
3709 C CG1 . VAL B 125 ? 0.1707 0.2019 0.2509 -0.0289 0.0175  -0.0217 142 VAL B CG1 
3710 C CG2 . VAL B 125 ? 0.1529 0.1764 0.2362 -0.0186 0.0098  -0.0238 142 VAL B CG2 
3720 N N   . TRP B 126 ? 0.1431 0.1587 0.2356 -0.0397 0.0073  -0.0161 143 TRP B N   
3721 C CA  . TRP B 126 ? 0.1583 0.1669 0.2565 -0.0456 0.0105  -0.0082 143 TRP B CA  
3722 C C   . TRP B 126 ? 0.1674 0.1699 0.2501 -0.0419 0.0111  0.0006  143 TRP B C   
3723 O O   . TRP B 126 ? 0.1727 0.1705 0.2502 -0.0359 0.0062  -0.0038 143 TRP B O   
3724 C CB  . TRP B 126 ? 0.1697 0.1673 0.2815 -0.0487 0.0064  -0.0130 143 TRP B CB  
3725 C CG  . TRP B 126 ? 0.1502 0.1584 0.2806 -0.0542 0.0056  -0.0226 143 TRP B CG  
3726 C CD1 . TRP B 126 ? 0.1639 0.1834 0.2946 -0.0508 -0.0022 -0.0345 143 TRP B CD1 
3727 C CD2 . TRP B 126 ? 0.1437 0.1546 0.2893 -0.0615 0.0121  -0.0213 143 TRP B CD2 
3728 N NE1 . TRP B 126 ? 0.1486 0.1811 0.2965 -0.0542 -0.0033 -0.0423 143 TRP B NE1 
3729 C CE2 . TRP B 126 ? 0.1392 0.1661 0.2967 -0.0608 0.0067  -0.0354 143 TRP B CE2 
3730 C CE3 . TRP B 126 ? 0.1795 0.1800 0.3274 -0.0687 0.0227  -0.0090 143 TRP B CE3 
3731 C CZ2 . TRP B 126 ? 0.1650 0.1997 0.3408 -0.0666 0.0117  -0.0411 143 TRP B CZ2 
3732 C CZ3 . TRP B 126 ? 0.1919 0.1972 0.3545 -0.0760 0.0297  -0.0129 143 TRP B CZ3 
3733 C CH2 . TRP B 126 ? 0.1673 0.1905 0.3463 -0.0747 0.0243  -0.0304 143 TRP B CH2 
3744 N N   . ASP B 127 ? 0.1735 0.1782 0.2490 -0.0458 0.0172  0.0116  144 ASP B N   
3745 C CA  . ASP B 127 ? 0.1707 0.1689 0.2291 -0.0417 0.0147  0.0235  144 ASP B CA  
3746 C C   . ASP B 127 ? 0.1908 0.1663 0.2582 -0.0415 0.0105  0.0329  144 ASP B C   
3747 O O   . ASP B 127 ? 0.2279 0.1944 0.3113 -0.0498 0.0163  0.0350  144 ASP B O   
3748 C CB  . ASP B 127 ? 0.1890 0.1961 0.2311 -0.0476 0.0242  0.0340  144 ASP B CB  
3749 C CG  . ASP B 127 ? 0.1795 0.2104 0.2199 -0.0484 0.0301  0.0212  144 ASP B CG  
3750 O OD1 . ASP B 127 ? 0.1932 0.2340 0.2269 -0.0415 0.0259  0.0126  144 ASP B OD1 
3751 O OD2 . ASP B 127 ? 0.2341 0.2749 0.2873 -0.0559 0.0392  0.0159  144 ASP B OD2 
3756 N N   . TYR B 128 ? 0.1898 0.1571 0.2526 -0.0319 0.0007  0.0364  145 TYR B N   
3757 C CA  . TYR B 128 ? 0.2363 0.1799 0.3142 -0.0296 -0.0041 0.0444  145 TYR B CA  
3758 C C   . TYR B 128 ? 0.2186 0.1559 0.2847 -0.0166 -0.0161 0.0558  145 TYR B C   
3759 O O   . TYR B 128 ? 0.2163 0.1723 0.2677 -0.0093 -0.0223 0.0498  145 TYR B O   
3760 C CB  . TYR B 128 ? 0.2360 0.1764 0.3405 -0.0301 -0.0069 0.0251  145 TYR B CB  
3761 C CG  . TYR B 128 ? 0.2101 0.1587 0.3162 -0.0212 -0.0150 0.0102  145 TYR B CG  
3762 C CD1 . TYR B 128 ? 0.1990 0.1659 0.2928 -0.0208 -0.0126 -0.0014 145 TYR B CD1 
3763 C CD2 . TYR B 128 ? 0.2355 0.1731 0.3601 -0.0135 -0.0232 0.0061  145 TYR B CD2 
3764 C CE1 . TYR B 128 ? 0.1856 0.1589 0.2840 -0.0153 -0.0160 -0.0165 145 TYR B CE1 
3765 C CE2 . TYR B 128 ? 0.2125 0.1602 0.3438 -0.0071 -0.0281 -0.0112 145 TYR B CE2 
3766 C CZ  . TYR B 128 ? 0.2031 0.1688 0.3205 -0.0090 -0.0234 -0.0227 145 TYR B CZ  
3767 O OH  . TYR B 128 ? 0.1980 0.1726 0.3253 -0.0051 -0.0247 -0.0417 145 TYR B OH  
3777 N N   . GLU B 129 ? 0.2601 0.1712 0.3371 -0.0132 -0.0200 0.0707  146 GLU B N   
3778 C CA  . GLU B 129 ? 0.2741 0.1757 0.3474 0.0028  -0.0357 0.0819  146 GLU B CA  
3779 C C   . GLU B 129 ? 0.3210 0.2173 0.4318 0.0099  -0.0442 0.0624  146 GLU B C   
3780 O O   . GLU B 129 ? 0.2891 0.1747 0.4273 0.0014  -0.0367 0.0516  146 GLU B O   
3781 C CB  . GLU B 129 ? 0.4069 0.2774 0.4687 0.0040  -0.0346 0.1144  146 GLU B CB  
3782 C CG  . GLU B 129 ? 0.4840 0.3585 0.5054 -0.0050 -0.0231 0.1346  146 GLU B CG  
3783 C CD  . GLU B 129 ? 0.6647 0.5017 0.6751 -0.0086 -0.0154 0.1680  146 GLU B CD  
3784 O OE1 . GLU B 129 ? 0.7610 0.5679 0.8016 -0.0055 -0.0171 0.1723  146 GLU B OE1 
3785 O OE2 . GLU B 129 ? 0.7309 0.5687 0.7025 -0.0156 -0.0054 0.1878  146 GLU B OE2 
3792 N N   . GLU B 130 ? 0.5220 0.2641 0.3777 0.0679  -0.0656 0.0152  147 GLU B N   
3793 C CA  . GLU B 130 ? 0.4878 0.2393 0.3954 0.0855  -0.0790 0.0017  147 GLU B CA  
3794 C C   . GLU B 130 ? 0.5132 0.2309 0.4313 0.0819  -0.0796 0.0031  147 GLU B C   
3795 O O   . GLU B 130 ? 0.5089 0.2481 0.4695 0.0870  -0.0741 -0.0142 147 GLU B O   
3796 C CB  . GLU B 130 ? 0.5311 0.2741 0.4442 0.1091  -0.1090 0.0029  147 GLU B CB  
3797 C CG  . GLU B 130 ? 0.6354 0.3167 0.5121 0.1162  -0.1354 0.0215  147 GLU B CG  
3798 C CD  . GLU B 130 ? 0.6240 0.2720 0.5247 0.1234  -0.1455 0.0205  147 GLU B CD  
3799 O OE1 . GLU B 130 ? 0.6114 0.2910 0.5662 0.1340  -0.1395 0.0004  147 GLU B OE1 
3800 O OE2 . GLU B 130 ? 0.7329 0.3216 0.5965 0.1188  -0.1611 0.0393  147 GLU B OE2 
3807 N N   . GLY B 131 ? 0.5819 0.2437 0.4588 0.0723  -0.0879 0.0235  148 GLY B N   
3808 C CA  . GLY B 131 ? 0.6161 0.2357 0.5034 0.0707  -0.0961 0.0248  148 GLY B CA  
3809 C C   . GLY B 131 ? 0.5908 0.2277 0.4979 0.0517  -0.0727 0.0151  148 GLY B C   
3810 O O   . GLY B 131 ? 0.6296 0.2424 0.5584 0.0555  -0.0799 0.0055  148 GLY B O   
3814 N N   . GLU B 132 ? 0.5581 0.2352 0.4601 0.0327  -0.0473 0.0152  149 GLU B N   
3815 C CA  . GLU B 132 ? 0.5407 0.2325 0.4600 0.0112  -0.0275 0.0095  149 GLU B CA  
3816 C C   . GLU B 132 ? 0.4698 0.2159 0.4331 0.0176  -0.0170 -0.0159 149 GLU B C   
3817 O O   . GLU B 132 ? 0.4521 0.2148 0.4310 -0.0001 -0.0028 -0.0219 149 GLU B O   
3818 C CB  . GLU B 132 ? 0.5616 0.2608 0.4512 -0.0173 -0.0066 0.0279  149 GLU B CB  
3819 C CG  . GLU B 132 ? 0.5130 0.2746 0.4153 -0.0216 0.0153  0.0172  149 GLU B CG  
3820 C CD  . GLU B 132 ? 0.6258 0.3937 0.4882 -0.0394 0.0331  0.0348  149 GLU B CD  
3821 O OE1 . GLU B 132 ? 0.7063 0.4385 0.5387 -0.0604 0.0364  0.0576  149 GLU B OE1 
3822 O OE2 . GLU B 132 ? 0.5174 0.3266 0.3781 -0.0336 0.0442  0.0255  149 GLU B OE2 
3829 N N   . VAL B 133 ? 0.4326 0.2068 0.4168 0.0402  -0.0254 -0.0291 150 VAL B N   
3830 C CA  . VAL B 133 ? 0.3704 0.1984 0.3892 0.0409  -0.0152 -0.0475 150 VAL B CA  
3831 C C   . VAL B 133 ? 0.3662 0.1919 0.4066 0.0367  -0.0114 -0.0629 150 VAL B C   
3832 O O   . VAL B 133 ? 0.3520 0.2094 0.4086 0.0238  0.0000  -0.0721 150 VAL B O   
3833 C CB  . VAL B 133 ? 0.3624 0.2218 0.4002 0.0621  -0.0260 -0.0547 150 VAL B CB  
3834 C CG1 . VAL B 133 ? 0.4309 0.2796 0.4899 0.0831  -0.0390 -0.0648 150 VAL B CG1 
3835 C CG2 . VAL B 133 ? 0.3200 0.2339 0.3838 0.0559  -0.0169 -0.0654 150 VAL B CG2 
3845 N N   . GLU B 134 ? 0.4052 0.1911 0.4455 0.0485  -0.0236 -0.0674 151 GLU B N   
3846 C CA  . GLU B 134 ? 0.4307 0.2104 0.4868 0.0472  -0.0217 -0.0864 151 GLU B CA  
3847 C C   . GLU B 134 ? 0.4254 0.1885 0.4717 0.0186  -0.0135 -0.0798 151 GLU B C   
3848 O O   . GLU B 134 ? 0.4385 0.2219 0.4988 0.0087  -0.0064 -0.0941 151 GLU B O   
3849 C CB  . GLU B 134 ? 0.5198 0.2547 0.5787 0.0686  -0.0394 -0.0951 151 GLU B CB  
3850 C CG  . GLU B 134 ? 0.5195 0.2897 0.6051 0.0964  -0.0424 -0.1121 151 GLU B CG  
3851 C CD  . GLU B 134 ? 0.5549 0.3268 0.6400 0.1112  -0.0549 -0.0974 151 GLU B CD  
3852 O OE1 . GLU B 134 ? 0.5494 0.2840 0.6062 0.1030  -0.0638 -0.0759 151 GLU B OE1 
3853 O OE2 . GLU B 134 ? 0.4957 0.3097 0.6041 0.1263  -0.0550 -0.1038 151 GLU B OE2 
3860 N N   . ALA B 135 ? 0.4658 0.1929 0.4880 0.0032  -0.0152 -0.0569 152 ALA B N   
3861 C CA  . ALA B 135 ? 0.5090 0.2250 0.5277 -0.0270 -0.0066 -0.0472 152 ALA B CA  
3862 C C   . ALA B 135 ? 0.4306 0.2041 0.4648 -0.0422 0.0123  -0.0489 152 ALA B C   
3863 O O   . ALA B 135 ? 0.4228 0.2062 0.4737 -0.0610 0.0176  -0.0544 152 ALA B O   
3864 C CB  . ALA B 135 ? 0.5534 0.2248 0.5410 -0.0424 -0.0104 -0.0181 152 ALA B CB  
3870 N N   . LEU B 136 ? 0.3982 0.2077 0.4291 -0.0335 0.0193  -0.0454 153 LEU B N   
3871 C CA  . LEU B 136 ? 0.3513 0.2135 0.4012 -0.0436 0.0330  -0.0500 153 LEU B CA  
3872 C C   . LEU B 136 ? 0.3114 0.2010 0.3897 -0.0413 0.0297  -0.0703 153 LEU B C   
3873 O O   . LEU B 136 ? 0.3044 0.2156 0.4022 -0.0585 0.0351  -0.0746 153 LEU B O   
3874 C CB  . LEU B 136 ? 0.3311 0.2189 0.3710 -0.0299 0.0349  -0.0465 153 LEU B CB  
3875 C CG  . LEU B 136 ? 0.3052 0.2438 0.3651 -0.0357 0.0453  -0.0529 153 LEU B CG  
3876 C CD1 . LEU B 136 ? 0.3325 0.2805 0.3695 -0.0264 0.0486  -0.0465 153 LEU B CD1 
3877 C CD2 . LEU B 136 ? 0.2874 0.2578 0.3768 -0.0275 0.0366  -0.0691 153 LEU B CD2 
3889 N N   . LEU B 137 ? 0.3013 0.1917 0.3823 -0.0211 0.0203  -0.0823 154 LEU B N   
3890 C CA  . LEU B 137 ? 0.3117 0.2293 0.4113 -0.0207 0.0186  -0.0999 154 LEU B CA  
3891 C C   . LEU B 137 ? 0.3315 0.2236 0.4314 -0.0343 0.0164  -0.1092 154 LEU B C   
3892 O O   . LEU B 137 ? 0.3036 0.2174 0.4156 -0.0469 0.0165  -0.1181 154 LEU B O   
3893 C CB  . LEU B 137 ? 0.2782 0.2063 0.3810 0.0027  0.0128  -0.1101 154 LEU B CB  
3894 C CG  . LEU B 137 ? 0.2457 0.2027 0.3539 0.0148  0.0101  -0.1024 154 LEU B CG  
3895 C CD1 . LEU B 137 ? 0.2629 0.2276 0.3799 0.0369  0.0040  -0.1101 154 LEU B CD1 
3896 C CD2 . LEU B 137 ? 0.2246 0.2248 0.3489 0.0038  0.0115  -0.1031 154 LEU B CD2 
3908 N N   . ASP B 138 ? 0.3492 0.1912 0.4353 -0.0319 0.0103  -0.1076 155 ASP B N   
3909 C CA  . ASP B 138 ? 0.4015 0.2120 0.4875 -0.0461 0.0041  -0.1164 155 ASP B CA  
3910 C C   . ASP B 138 ? 0.3909 0.2150 0.4901 -0.0756 0.0097  -0.1058 155 ASP B C   
3911 O O   . ASP B 138 ? 0.4216 0.2492 0.5293 -0.0884 0.0043  -0.1159 155 ASP B O   
3912 C CB  . ASP B 138 ? 0.4826 0.2300 0.5534 -0.0415 -0.0077 -0.1118 155 ASP B CB  
3913 C CG  . ASP B 138 ? 0.4725 0.2030 0.5395 -0.0103 -0.0171 -0.1304 155 ASP B CG  
3914 O OD1 . ASP B 138 ? 0.4954 0.2658 0.5698 0.0039  -0.0117 -0.1485 155 ASP B OD1 
3915 O OD2 . ASP B 138 ? 0.5491 0.2272 0.6058 -0.0013 -0.0309 -0.1265 155 ASP B OD2 
3920 N N   . ARG B 139 ? 0.3697 0.2038 0.4694 -0.0857 0.0198  -0.0850 156 ARG B N   
3921 C CA  . ARG B 139 ? 0.3790 0.2355 0.4992 -0.1123 0.0285  -0.0756 156 ARG B CA  
3922 C C   . ARG B 139 ? 0.3201 0.2276 0.4656 -0.1134 0.0296  -0.0880 156 ARG B C   
3923 O O   . ARG B 139 ? 0.3327 0.2533 0.4887 -0.1240 0.0224  -0.0871 156 ARG B O   
3924 C CB  . ARG B 139 ? 0.4017 0.2662 0.5125 -0.1182 0.0433  -0.0538 156 ARG B CB  
3925 C CG  . ARG B 139 ? 0.5699 0.4436 0.6974 -0.1487 0.0550  -0.0386 156 ARG B CG  
3926 C CD  . ARG B 139 ? 0.5112 0.4462 0.6617 -0.1509 0.0720  -0.0396 156 ARG B CD  
3927 N NE  . ARG B 139 ? 0.6265 0.5728 0.7517 -0.1302 0.0791  -0.0368 156 ARG B NE  
3928 C CZ  . ARG B 139 ? 0.4565 0.4469 0.5950 -0.1168 0.0834  -0.0476 156 ARG B CZ  
3929 N NH1 . ARG B 139 ? 0.5164 0.5452 0.6948 -0.1212 0.0812  -0.0609 156 ARG B NH1 
3930 N NH2 . ARG B 139 ? 0.3575 0.3494 0.4688 -0.0982 0.0857  -0.0453 156 ARG B NH2 
3944 N N   . TYR B 140 ? 0.2829 0.2208 0.4268 -0.0949 0.0316  -0.0919 157 TYR B N   
3945 C CA  . TYR B 140 ? 0.2679 0.2508 0.4321 -0.0945 0.0280  -0.0984 157 TYR B CA  
3946 C C   . TYR B 140 ? 0.2587 0.2398 0.4127 -0.0917 0.0145  -0.1049 157 TYR B C   
3947 O O   . TYR B 140 ? 0.2918 0.2912 0.4503 -0.0965 0.0069  -0.0995 157 TYR B O   
3948 C CB  . TYR B 140 ? 0.2211 0.2284 0.3843 -0.0766 0.0282  -0.1003 157 TYR B CB  
3949 C CG  . TYR B 140 ? 0.1925 0.2370 0.3665 -0.0717 0.0197  -0.0993 157 TYR B CG  
3950 C CD1 . TYR B 140 ? 0.2158 0.2659 0.3791 -0.0656 0.0091  -0.1011 157 TYR B CD1 
3951 C CD2 . TYR B 140 ? 0.1898 0.2570 0.3763 -0.0707 0.0219  -0.0935 157 TYR B CD2 
3952 C CE1 . TYR B 140 ? 0.1952 0.2635 0.3553 -0.0611 -0.0009 -0.0916 157 TYR B CE1 
3953 C CE2 . TYR B 140 ? 0.1667 0.2495 0.3516 -0.0622 0.0100  -0.0884 157 TYR B CE2 
3954 C CZ  . TYR B 140 ? 0.1976 0.2770 0.3673 -0.0590 -0.0019 -0.0847 157 TYR B CZ  
3955 O OH  . TYR B 140 ? 0.2071 0.2933 0.3710 -0.0557 -0.0140 -0.0747 157 TYR B OH  
3965 N N   . PHE B 141 ? 0.3003 0.2571 0.4379 -0.0827 0.0112  -0.1175 158 PHE B N   
3966 C CA  . PHE B 141 ? 0.3449 0.2995 0.4685 -0.0815 0.0019  -0.1274 158 PHE B CA  
3967 C C   . PHE B 141 ? 0.4553 0.3722 0.5687 -0.0926 -0.0061 -0.1287 158 PHE B C   
3968 O O   . PHE B 141 ? 0.4922 0.3945 0.5873 -0.0903 -0.0142 -0.1415 158 PHE B O   
3969 C CB  . PHE B 141 ? 0.3731 0.3315 0.4861 -0.0636 0.0043  -0.1432 158 PHE B CB  
3970 C CG  . PHE B 141 ? 0.3186 0.3201 0.4432 -0.0580 0.0064  -0.1398 158 PHE B CG  
3971 C CD1 . PHE B 141 ? 0.3200 0.3503 0.4425 -0.0643 0.0004  -0.1347 158 PHE B CD1 
3972 C CD2 . PHE B 141 ? 0.3038 0.3115 0.4363 -0.0456 0.0109  -0.1356 158 PHE B CD2 
3973 C CE1 . PHE B 141 ? 0.3018 0.3644 0.4322 -0.0597 -0.0014 -0.1262 158 PHE B CE1 
3974 C CE2 . PHE B 141 ? 0.2993 0.3442 0.4427 -0.0408 0.0083  -0.1295 158 PHE B CE2 
3975 C CZ  . PHE B 141 ? 0.3006 0.3724 0.4448 -0.0492 0.0019  -0.1254 158 PHE B CZ  
3985 N N   . GLU B 142 ? 0.4159 0.3179 0.5402 -0.1064 -0.0042 -0.1155 159 GLU B N   
3986 C CA  . GLU B 142 ? 0.5510 0.4217 0.6717 -0.1229 -0.0146 -0.1108 159 GLU B CA  
3987 C C   . GLU B 142 ? 0.5197 0.3421 0.6145 -0.1148 -0.0244 -0.1263 159 GLU B C   
3988 O O   . GLU B 142 ? 0.6031 0.4059 0.6839 -0.1222 -0.0372 -0.1328 159 GLU B O   
3989 C CB  . GLU B 142 ? 0.5056 0.3997 0.6324 -0.1341 -0.0247 -0.1060 159 GLU B CB  
3990 C CG  . GLU B 142 ? 0.5118 0.4521 0.6642 -0.1373 -0.0182 -0.0921 159 GLU B CG  
3991 C CD  . GLU B 142 ? 0.6018 0.5472 0.7767 -0.1515 -0.0085 -0.0780 159 GLU B CD  
3992 O OE1 . GLU B 142 ? 0.7103 0.6267 0.8840 -0.1683 -0.0139 -0.0722 159 GLU B OE1 
3993 O OE2 . GLU B 142 ? 0.5772 0.5563 0.7698 -0.1471 0.0044  -0.0727 159 GLU B OE2 
# 
